data_19087 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19087 _Entry.PDB_ID 2M5Y 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 19087 _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 6 6 SER C C 6 174.665 174.665 175.367 -0.702 19087 2 1 1 . 1 1 6 6 SER CA C 6 58.745 58.745 58.642 0.103 19087 3 1 1 . 1 1 6 6 SER CB C 6 63.870 63.870 63.811 0.059 19087 4 1 1 . 1 1 7 7 GLU N N 7 122.278 122.278 126.239 -3.961 19087 5 1 1 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.002 0.726 19087 6 1 1 . 1 1 7 7 GLU C C 7 176.279 176.279 176.439 -0.160 19087 7 1 1 . 1 1 7 7 GLU CA C 7 56.894 56.894 58.714 -1.819 19087 8 1 1 . 1 1 7 7 GLU CB C 7 30.209 30.209 30.013 0.196 19087 9 1 1 . 1 1 7 7 GLU H H 7 8.475 8.475 8.801 -0.326 19087 10 1 1 . 1 1 8 8 ASP N N 8 120.753 120.753 117.206 3.547 19087 11 1 1 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.662 0.047 19087 12 1 1 . 1 1 8 8 ASP C C 8 176.070 176.070 175.079 0.991 19087 13 1 1 . 1 1 8 8 ASP CA C 8 54.366 54.366 54.293 0.073 19087 14 1 1 . 1 1 8 8 ASP CB C 8 41.459 41.459 41.986 -0.527 19087 15 1 1 . 1 1 8 8 ASP H H 8 8.206 8.206 8.079 0.127 19087 16 1 1 . 1 1 9 9 ASP N N 9 121.430 121.430 118.735 2.695 19087 17 1 1 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.730 -0.027 19087 18 1 1 . 1 1 9 9 ASP CA C 9 54.444 54.444 53.676 0.768 19087 19 1 1 . 1 1 9 9 ASP CB C 9 41.220 41.220 41.988 -0.768 19087 20 1 1 . 1 1 9 9 ASP H H 9 8.256 8.256 7.974 0.282 19087 21 1 1 . 1 1 11 11 SER C C 11 174.517 174.517 174.129 0.388 19087 22 1 1 . 1 1 11 11 SER CA C 11 59.364 59.364 58.021 1.343 19087 23 1 1 . 1 1 11 11 SER CB C 11 63.989 63.989 63.895 0.094 19087 24 1 1 . 1 1 12 12 ALA N N 12 125.500 125.500 123.886 1.614 19087 25 1 1 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.981 -0.625 19087 26 1 1 . 1 1 12 12 ALA C C 12 177.811 177.811 175.902 1.909 19087 27 1 1 . 1 1 12 12 ALA CA C 12 52.815 52.815 51.371 1.444 19087 28 1 1 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.028 -0.824 19087 29 1 1 . 1 1 12 12 ALA H H 12 8.087 8.087 8.730 -0.643 19087 30 1 1 . 1 1 13 13 ILE N N 13 119.045 119.045 118.492 0.553 19087 31 1 1 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.602 -0.409 19087 32 1 1 . 1 1 13 13 ILE CA C 13 61.163 61.163 60.721 0.442 19087 33 1 1 . 1 1 13 13 ILE CB C 13 38.721 38.721 39.892 -1.171 19087 34 1 1 . 1 1 13 13 ILE H H 13 7.938 7.938 8.354 -0.416 19087 35 1 1 . 1 1 14 14 SER N N 14 119.662 119.662 115.515 4.147 19087 36 1 1 . 1 1 14 14 SER H H 14 8.339 8.339 9.193 -0.854 19087 37 1 1 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.517 -0.231 19087 38 1 1 . 1 1 21 21 ALA C C 21 177.013 177.013 176.102 0.911 19087 39 1 1 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.936 -0.351 19087 40 1 1 . 1 1 21 21 ALA CB C 21 19.339 19.339 19.605 -0.265 19087 41 1 1 . 1 1 22 22 ALA N N 22 124.579 124.579 123.325 1.254 19087 42 1 1 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.566 0.159 19087 43 1 1 . 1 1 22 22 ALA CA C 22 50.310 50.310 51.065 -0.755 19087 44 1 1 . 1 1 22 22 ALA CB C 22 18.232 18.232 19.492 -1.260 19087 45 1 1 . 1 1 22 22 ALA H H 22 8.182 8.182 8.347 -0.165 19087 46 1 1 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.268 -0.133 19087 47 1 1 . 1 1 28 28 VAL C C 28 175.779 175.779 175.528 0.251 19087 48 1 1 . 1 1 28 28 VAL CA C 28 62.167 62.167 62.358 -0.191 19087 49 1 1 . 1 1 28 28 VAL CB C 28 32.681 32.681 33.513 -0.832 19087 50 1 1 . 1 1 29 29 LYS N N 29 126.858 126.858 128.401 -1.543 19087 51 1 1 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.673 0.039 19087 52 1 1 . 1 1 29 29 LYS CA C 29 54.135 54.135 54.124 0.011 19087 53 1 1 . 1 1 29 29 LYS CB C 29 32.646 32.646 33.005 -0.359 19087 54 1 1 . 1 1 29 29 LYS H H 29 8.346 8.346 8.360 -0.014 19087 55 1 1 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.373 0.029 19087 56 1 1 . 1 1 30 30 PRO C C 30 176.435 176.435 175.928 0.507 19087 57 1 1 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.851 -0.075 19087 58 1 1 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.382 -0.228 19087 59 1 1 . 1 1 31 31 ALA N N 31 124.680 124.680 124.523 0.157 19087 60 1 1 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.313 0.034 19087 61 1 1 . 1 1 31 31 ALA C C 31 176.860 176.860 176.611 0.249 19087 62 1 1 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.864 0.452 19087 63 1 1 . 1 1 31 31 ALA CB C 31 19.398 19.398 19.720 -0.321 19087 64 1 1 . 1 1 31 31 ALA H H 31 8.324 8.324 8.197 0.127 19087 65 1 1 . 1 1 32 32 ALA N N 32 125.011 125.011 124.504 0.507 19087 66 1 1 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.984 -0.248 19087 67 1 1 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.448 0.039 19087 68 1 1 . 1 1 32 32 ALA CB C 32 18.203 18.203 18.826 -0.623 19087 69 1 1 . 1 1 32 32 ALA H H 32 8.246 8.246 8.739 -0.493 19087 70 1 1 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.557 -0.091 19087 71 1 1 . 1 1 33 33 PRO C C 33 176.834 176.834 176.467 0.367 19087 72 1 1 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.894 -0.069 19087 73 1 1 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.797 -0.802 19087 74 1 1 . 1 1 34 34 ARG N N 34 121.170 121.170 124.810 -3.640 19087 75 1 1 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.322 0.064 19087 76 1 1 . 1 1 34 34 ARG C C 34 175.853 175.853 176.375 -0.522 19087 77 1 1 . 1 1 34 34 ARG CA C 34 55.912 55.912 57.035 -1.123 19087 78 1 1 . 1 1 34 34 ARG CB C 34 31.672 31.672 30.900 0.772 19087 79 1 1 . 1 1 34 34 ARG H H 34 8.349 8.349 8.582 -0.233 19087 80 1 1 . 1 1 35 35 ALA N N 35 124.878 124.878 122.198 2.680 19087 81 1 1 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.692 -0.080 19087 82 1 1 . 1 1 35 35 ALA C C 35 176.170 176.170 174.941 1.229 19087 83 1 1 . 1 1 35 35 ALA CA C 35 51.566 51.566 51.542 0.024 19087 84 1 1 . 1 1 35 35 ALA CB C 35 20.722 20.722 21.480 -0.758 19087 85 1 1 . 1 1 35 35 ALA H H 35 8.008 8.008 7.814 0.194 19087 86 1 1 . 1 1 36 36 GLU N N 36 119.776 119.776 122.668 -2.892 19087 87 1 1 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.973 -0.542 19087 88 1 1 . 1 1 36 36 GLU C C 36 174.618 174.618 174.819 -0.201 19087 89 1 1 . 1 1 36 36 GLU CA C 36 56.472 56.472 54.753 1.719 19087 90 1 1 . 1 1 36 36 GLU CB C 36 31.124 31.124 31.923 -0.799 19087 91 1 1 . 1 1 36 36 GLU H H 36 8.495 8.495 8.603 -0.108 19087 92 1 1 . 1 1 37 37 VAL N N 37 119.808 119.808 120.830 -1.022 19087 93 1 1 . 1 1 37 37 VAL HA H 37 4.902 4.902 5.032 -0.130 19087 94 1 1 . 1 1 37 37 VAL C C 37 174.285 174.285 175.151 -0.866 19087 95 1 1 . 1 1 37 37 VAL CA C 37 60.639 60.639 60.654 -0.015 19087 96 1 1 . 1 1 37 37 VAL CB C 37 34.612 34.612 34.590 0.022 19087 97 1 1 . 1 1 37 37 VAL H H 37 8.494 8.494 8.762 -0.268 19087 98 1 1 . 1 1 38 38 ARG N N 38 124.534 124.534 123.316 1.218 19087 99 1 1 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.009 -0.083 19087 100 1 1 . 1 1 38 38 ARG C C 38 174.239 174.239 175.008 -0.769 19087 101 1 1 . 1 1 38 38 ARG CA C 38 55.092 55.092 54.405 0.687 19087 102 1 1 . 1 1 38 38 ARG CB C 38 34.190 34.190 32.444 1.746 19087 103 1 1 . 1 1 38 38 ARG H H 38 8.652 8.652 8.714 -0.062 19087 104 1 1 . 1 1 39 39 VAL N N 39 121.231 121.231 125.709 -4.478 19087 105 1 1 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.198 0.600 19087 106 1 1 . 1 1 39 39 VAL C C 39 173.357 173.357 174.597 -1.240 19087 107 1 1 . 1 1 39 39 VAL CA C 39 60.638 60.638 62.121 -1.483 19087 108 1 1 . 1 1 39 39 VAL CB C 39 34.294 34.294 32.106 2.188 19087 109 1 1 . 1 1 39 39 VAL H H 39 7.934 7.934 8.424 -0.490 19087 110 1 1 . 1 1 40 40 TYR N N 40 122.262 122.262 128.148 -5.886 19087 111 1 1 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.415 -0.262 19087 112 1 1 . 1 1 40 40 TYR C C 40 175.124 175.124 175.251 -0.127 19087 113 1 1 . 1 1 40 40 TYR CA C 40 55.540 55.540 56.061 -0.521 19087 114 1 1 . 1 1 40 40 TYR CB C 40 42.223 42.223 39.101 3.122 19087 115 1 1 . 1 1 40 40 TYR H H 40 9.343 9.343 8.344 0.999 19087 116 1 1 . 1 1 41 41 ASN N N 41 121.684 121.684 123.297 -1.613 19087 117 1 1 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.233 -0.201 19087 118 1 1 . 1 1 41 41 ASN C C 41 176.301 176.301 175.319 0.982 19087 119 1 1 . 1 1 41 41 ASN CA C 41 52.635 52.635 52.722 -0.087 19087 120 1 1 . 1 1 41 41 ASN CB C 41 39.836 39.836 40.848 -1.012 19087 121 1 1 . 1 1 41 41 ASN H H 41 9.287 9.287 8.541 0.746 19087 122 1 1 . 1 1 42 42 ILE N N 42 119.462 119.462 127.492 -8.030 19087 123 1 1 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.464 0.986 19087 124 1 1 . 1 1 42 42 ILE C C 42 176.450 176.450 176.424 0.026 19087 125 1 1 . 1 1 42 42 ILE CA C 42 60.513 60.513 63.061 -2.548 19087 126 1 1 . 1 1 42 42 ILE CB C 42 38.597 38.597 38.835 -0.238 19087 127 1 1 . 1 1 42 42 ILE H H 42 8.541 8.541 8.611 -0.070 19087 128 1 1 . 1 1 43 43 SER N N 43 118.212 118.212 113.679 4.533 19087 129 1 1 . 1 1 43 43 SER HA H 43 4.729 4.729 4.520 0.209 19087 130 1 1 . 1 1 43 43 SER CA C 43 58.598 58.598 57.949 0.649 19087 131 1 1 . 1 1 43 43 SER CB C 43 66.262 66.262 65.200 1.062 19087 132 1 1 . 1 1 43 43 SER H H 43 8.142 8.142 7.755 0.387 19087 133 1 1 . 1 1 44 44 GLY C C 44 174.414 174.414 172.850 1.564 19087 134 1 1 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.114 0.265 19087 135 1 1 . 1 1 45 45 THR N N 45 116.371 116.371 116.142 0.229 19087 136 1 1 . 1 1 45 45 THR HA H 45 4.384 4.384 4.477 -0.093 19087 137 1 1 . 1 1 45 45 THR CA C 45 61.814 61.814 60.880 0.934 19087 138 1 1 . 1 1 45 45 THR CB C 45 69.787 69.787 69.885 -0.098 19087 139 1 1 . 1 1 45 45 THR H H 45 8.298 8.298 7.999 0.299 19087 140 1 1 . 1 1 47 47 GLY C C 47 175.691 175.691 175.571 0.120 19087 141 1 1 . 1 1 47 47 GLY CA C 47 46.191 46.191 45.791 0.400 19087 142 1 1 . 1 1 48 48 ALA N N 48 121.957 121.957 124.282 -2.325 19087 143 1 1 . 1 1 48 48 ALA HA H 48 4.029 4.029 3.997 0.032 19087 144 1 1 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.391 1.012 19087 145 1 1 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.539 -0.047 19087 146 1 1 . 1 1 48 48 ALA H H 48 7.511 7.511 8.117 -0.606 19087 147 1 1 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.913 0.071 19087 148 1 1 . 1 1 49 49 ALA C C 49 178.073 178.073 178.391 -0.318 19087 149 1 1 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.997 -0.136 19087 150 1 1 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.721 -0.032 19087 151 1 1 . 1 1 50 50 ALA N N 50 122.654 122.654 118.639 4.015 19087 152 1 1 . 1 1 50 50 ALA HA H 50 3.989 3.989 4.019 -0.030 19087 153 1 1 . 1 1 50 50 ALA C C 50 179.642 179.642 179.335 0.307 19087 154 1 1 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.014 1.837 19087 155 1 1 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.125 -0.337 19087 156 1 1 . 1 1 50 50 ALA H H 50 7.965 7.965 8.190 -0.225 19087 157 1 1 . 1 1 51 51 ARG N N 51 116.659 116.659 118.698 -2.039 19087 158 1 1 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.452 -0.261 19087 159 1 1 . 1 1 51 51 ARG C C 51 179.931 179.931 178.545 1.386 19087 160 1 1 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.090 1.422 19087 161 1 1 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.683 0.780 19087 162 1 1 . 1 1 51 51 ARG H H 51 7.982 7.982 8.020 -0.038 19087 163 1 1 . 1 1 52 52 THR N N 52 117.745 117.745 111.882 5.863 19087 164 1 1 . 1 1 52 52 THR HA H 52 4.162 4.162 4.078 0.084 19087 165 1 1 . 1 1 52 52 THR C C 52 175.626 175.626 176.080 -0.454 19087 166 1 1 . 1 1 52 52 THR CA C 52 68.565 68.565 65.479 3.086 19087 167 1 1 . 1 1 52 52 THR CB C 52 70.787 70.787 68.635 2.152 19087 168 1 1 . 1 1 52 52 THR H H 52 7.661 7.661 7.664 -0.003 19087 169 1 1 . 1 1 53 53 ALA N N 53 123.939 123.939 124.125 -0.186 19087 170 1 1 . 1 1 53 53 ALA HA H 53 3.886 3.886 3.916 -0.030 19087 171 1 1 . 1 1 53 53 ALA C C 53 179.013 179.013 179.154 -0.141 19087 172 1 1 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.824 1.373 19087 173 1 1 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.384 0.333 19087 174 1 1 . 1 1 53 53 ALA H H 53 8.805 8.805 7.420 1.385 19087 175 1 1 . 1 1 54 54 ASP N N 54 118.351 118.351 119.239 -0.888 19087 176 1 1 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.363 0.069 19087 177 1 1 . 1 1 54 54 ASP C C 54 179.376 179.376 178.660 0.716 19087 178 1 1 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.584 0.423 19087 179 1 1 . 1 1 54 54 ASP CB C 54 40.242 40.242 40.436 -0.194 19087 180 1 1 . 1 1 54 54 ASP H H 54 8.327 8.327 7.630 0.697 19087 181 1 1 . 1 1 55 55 ARG N N 55 121.120 121.120 119.627 1.493 19087 182 1 1 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.138 0.036 19087 183 1 1 . 1 1 55 55 ARG C C 55 179.550 179.550 178.788 0.762 19087 184 1 1 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.607 0.678 19087 185 1 1 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.347 -0.027 19087 186 1 1 . 1 1 55 55 ARG H H 55 7.723 7.723 7.625 0.098 19087 187 1 1 . 1 1 56 56 LEU N N 56 118.659 118.659 120.389 -1.730 19087 188 1 1 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.154 0.178 19087 189 1 1 . 1 1 56 56 LEU C C 56 179.305 179.305 178.254 1.051 19087 190 1 1 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.702 -0.265 19087 191 1 1 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.933 -0.646 19087 192 1 1 . 1 1 56 56 LEU H H 56 8.215 8.215 7.533 0.682 19087 193 1 1 . 1 1 57 57 LYS N N 57 122.713 122.713 119.692 3.021 19087 194 1 1 . 1 1 57 57 LYS HA H 57 4.513 4.513 4.285 0.228 19087 195 1 1 . 1 1 57 57 LYS C C 57 181.436 181.436 178.709 2.727 19087 196 1 1 . 1 1 57 57 LYS CA C 57 60.004 60.004 59.059 0.945 19087 197 1 1 . 1 1 57 57 LYS CB C 57 32.437 32.437 32.542 -0.105 19087 198 1 1 . 1 1 57 57 LYS H H 57 8.914 8.914 7.934 0.980 19087 199 1 1 . 1 1 58 58 ALA N N 58 122.423 122.423 120.756 1.667 19087 200 1 1 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.320 -0.110 19087 201 1 1 . 1 1 58 58 ALA C C 58 178.516 178.516 178.670 -0.154 19087 202 1 1 . 1 1 58 58 ALA CA C 58 55.069 55.069 54.118 0.951 19087 203 1 1 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.550 -0.641 19087 204 1 1 . 1 1 58 58 ALA H H 58 8.026 8.026 7.750 0.276 19087 205 1 1 . 1 1 59 59 ALA N N 59 118.347 118.347 119.967 -1.620 19087 206 1 1 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.342 0.144 19087 207 1 1 . 1 1 59 59 ALA C C 59 176.797 176.797 177.594 -0.797 19087 208 1 1 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.579 -0.821 19087 209 1 1 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.592 -0.223 19087 210 1 1 . 1 1 59 59 ALA H H 59 7.413 7.413 7.836 -0.423 19087 211 1 1 . 1 1 60 60 GLY N N 60 104.918 104.918 106.273 -1.355 19087 212 1 1 . 1 1 60 60 GLY C C 60 174.741 174.741 173.481 1.260 19087 213 1 1 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.496 0.740 19087 214 1 1 . 1 1 60 60 GLY H H 60 7.694 7.694 7.540 0.154 19087 215 1 1 . 1 1 61 61 PHE N N 61 118.862 118.862 118.535 0.327 19087 216 1 1 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.784 -0.289 19087 217 1 1 . 1 1 61 61 PHE C C 61 175.204 175.204 177.040 -1.836 19087 218 1 1 . 1 1 61 61 PHE CA C 61 58.483 58.483 56.853 1.630 19087 219 1 1 . 1 1 61 61 PHE CB C 61 39.163 39.163 40.593 -1.429 19087 220 1 1 . 1 1 61 61 PHE H H 61 7.879 7.879 7.514 0.365 19087 221 1 1 . 1 1 62 62 THR N N 62 121.319 121.319 118.435 2.884 19087 222 1 1 . 1 1 62 62 THR HA H 62 4.303 4.303 4.201 0.102 19087 223 1 1 . 1 1 62 62 THR C C 62 173.073 173.073 174.541 -1.468 19087 224 1 1 . 1 1 62 62 THR CA C 62 69.389 69.389 65.291 4.098 19087 225 1 1 . 1 1 62 62 THR CB C 62 62.478 62.478 69.341 -6.862 19087 226 1 1 . 1 1 62 62 THR H H 62 9.493 9.493 8.801 0.692 19087 227 1 1 . 1 1 63 63 VAL N N 63 128.406 128.406 120.398 8.008 19087 228 1 1 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.353 0.307 19087 229 1 1 . 1 1 63 63 VAL C C 63 177.267 177.267 174.366 2.901 19087 230 1 1 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.842 -1.743 19087 231 1 1 . 1 1 63 63 VAL CB C 63 32.572 32.572 34.982 -2.410 19087 232 1 1 . 1 1 63 63 VAL H H 63 8.293 8.293 8.038 0.255 19087 233 1 1 . 1 1 64 64 THR N N 64 118.495 118.495 117.522 0.973 19087 234 1 1 . 1 1 64 64 THR HA H 64 4.350 4.350 5.102 -0.752 19087 235 1 1 . 1 1 64 64 THR CA C 64 62.182 62.182 60.325 1.857 19087 236 1 1 . 1 1 64 64 THR CB C 64 69.143 69.143 69.489 -0.346 19087 237 1 1 . 1 1 64 64 THR H H 64 8.770 8.770 8.503 0.267 19087 238 1 1 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.961 -0.660 19087 239 1 1 . 1 1 65 65 ASP C C 65 173.778 173.778 174.211 -0.433 19087 240 1 1 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.009 1.278 19087 241 1 1 . 1 1 65 65 ASP CB C 65 44.018 44.018 43.774 0.244 19087 242 1 1 . 1 1 66 66 VAL N N 66 121.705 121.705 124.600 -2.895 19087 243 1 1 . 1 1 66 66 VAL HA H 66 4.863 4.863 5.001 -0.138 19087 244 1 1 . 1 1 66 66 VAL C C 66 176.234 176.234 175.118 1.116 19087 245 1 1 . 1 1 66 66 VAL CA C 66 60.597 60.597 59.972 0.625 19087 246 1 1 . 1 1 66 66 VAL CB C 66 34.120 34.120 33.669 0.451 19087 247 1 1 . 1 1 66 66 VAL H H 66 7.849 7.849 8.427 -0.578 19087 248 1 1 . 1 1 67 67 GLY N N 67 112.050 112.050 114.375 -2.325 19087 249 1 1 . 1 1 67 67 GLY CA C 67 45.618 45.618 44.847 0.771 19087 250 1 1 . 1 1 67 67 GLY H H 67 8.151 8.151 8.728 -0.577 19087 251 1 1 . 1 1 68 68 ASN C C 68 173.771 173.771 174.456 -0.685 19087 252 1 1 . 1 1 68 68 ASN CA C 68 53.062 53.062 52.856 0.206 19087 253 1 1 . 1 1 68 68 ASN CB C 68 39.832 39.832 39.627 0.205 19087 254 1 1 . 1 1 69 69 LEU N N 69 121.003 121.003 127.295 -6.292 19087 255 1 1 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.667 -0.130 19087 256 1 1 . 1 1 69 69 LEU C C 69 174.751 174.751 174.943 -0.192 19087 257 1 1 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.591 -0.666 19087 258 1 1 . 1 1 69 69 LEU CB C 69 47.313 47.313 45.860 1.453 19087 259 1 1 . 1 1 69 69 LEU H H 69 8.276 8.276 8.699 -0.423 19087 260 1 1 . 1 1 70 70 SER N N 70 116.269 116.269 121.341 -5.072 19087 261 1 1 . 1 1 70 70 SER C C 70 173.777 173.777 173.647 0.130 19087 262 1 1 . 1 1 70 70 SER CA C 70 56.923 56.923 58.208 -1.285 19087 263 1 1 . 1 1 70 70 SER CB C 70 63.219 63.219 62.988 0.231 19087 264 1 1 . 1 1 70 70 SER H H 70 8.122 8.122 8.543 -0.421 19087 265 1 1 . 1 1 71 71 LEU N N 71 127.999 127.999 128.005 -0.006 19087 266 1 1 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.633 0.123 19087 267 1 1 . 1 1 71 71 LEU CA C 71 52.165 52.165 52.063 0.102 19087 268 1 1 . 1 1 71 71 LEU CB C 71 44.179 44.179 41.211 2.968 19087 269 1 1 . 1 1 71 71 LEU H H 71 8.293 8.293 8.136 0.157 19087 270 1 1 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.549 -0.189 19087 271 1 1 . 1 1 72 72 PRO C C 72 176.922 176.922 176.361 0.561 19087 272 1 1 . 1 1 72 72 PRO CA C 72 64.244 64.244 63.614 0.630 19087 273 1 1 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.894 0.572 19087 274 1 1 . 1 1 73 73 ASP N N 73 115.106 115.106 117.499 -2.393 19087 275 1 1 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.520 0.038 19087 276 1 1 . 1 1 73 73 ASP C C 73 175.809 175.809 176.340 -0.531 19087 277 1 1 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.090 1.055 19087 278 1 1 . 1 1 73 73 ASP CB C 73 40.778 40.778 40.803 -0.025 19087 279 1 1 . 1 1 73 73 ASP H H 73 8.431 8.431 8.450 -0.019 19087 280 1 1 . 1 1 74 74 VAL N N 74 122.218 122.218 115.950 6.268 19087 281 1 1 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.357 -0.391 19087 282 1 1 . 1 1 74 74 VAL C C 74 175.339 175.339 174.722 0.617 19087 283 1 1 . 1 1 74 74 VAL CA C 74 63.871 63.871 61.289 2.582 19087 284 1 1 . 1 1 74 74 VAL CB C 74 32.075 32.075 33.281 -1.206 19087 285 1 1 . 1 1 74 74 VAL H H 74 7.468 7.468 7.304 0.164 19087 286 1 1 . 1 1 75 75 ALA N N 75 128.630 128.630 124.496 4.134 19087 287 1 1 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.500 -0.075 19087 288 1 1 . 1 1 75 75 ALA C C 75 176.404 176.404 176.415 -0.011 19087 289 1 1 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.144 0.283 19087 290 1 1 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.305 1.166 19087 291 1 1 . 1 1 75 75 ALA H H 75 8.581 8.581 8.433 0.148 19087 292 1 1 . 1 1 76 76 ALA N N 76 120.481 120.481 121.910 -1.429 19087 293 1 1 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.484 0.173 19087 294 1 1 . 1 1 76 76 ALA C C 76 175.925 175.925 176.256 -0.331 19087 295 1 1 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.901 -0.906 19087 296 1 1 . 1 1 76 76 ALA CB C 76 22.365 22.365 21.117 1.248 19087 297 1 1 . 1 1 76 76 ALA H H 76 7.438 7.438 7.450 -0.012 19087 298 1 1 . 1 1 77 77 THR N N 77 121.464 121.464 117.476 3.988 19087 299 1 1 . 1 1 77 77 THR HA H 77 4.734 4.734 4.254 0.480 19087 300 1 1 . 1 1 77 77 THR C C 77 174.143 174.143 174.007 0.136 19087 301 1 1 . 1 1 77 77 THR CA C 77 63.914 63.914 63.348 0.566 19087 302 1 1 . 1 1 77 77 THR CB C 77 70.070 70.070 68.768 1.302 19087 303 1 1 . 1 1 77 77 THR H H 77 8.390 8.390 8.494 -0.104 19087 304 1 1 . 1 1 78 78 THR N N 78 123.538 123.538 125.620 -2.082 19087 305 1 1 . 1 1 78 78 THR HA H 78 4.644 4.644 5.157 -0.513 19087 306 1 1 . 1 1 78 78 THR C C 78 181.684 181.684 173.021 8.663 19087 307 1 1 . 1 1 78 78 THR CA C 78 62.511 62.511 61.416 1.095 19087 308 1 1 . 1 1 78 78 THR CB C 78 72.846 72.846 72.186 0.660 19087 309 1 1 . 1 1 78 78 THR H H 78 8.355 8.355 8.490 -0.135 19087 310 1 1 . 1 1 79 79 VAL N N 79 126.455 126.455 127.519 -1.064 19087 311 1 1 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.436 0.160 19087 312 1 1 . 1 1 79 79 VAL C C 79 173.702 173.702 174.361 -0.659 19087 313 1 1 . 1 1 79 79 VAL CA C 79 60.385 60.385 61.793 -1.408 19087 314 1 1 . 1 1 79 79 VAL CB C 79 33.089 33.089 32.629 0.460 19087 315 1 1 . 1 1 79 79 VAL H H 79 8.685 8.685 8.649 0.036 19087 316 1 1 . 1 1 80 80 TYR N N 80 123.574 123.574 130.046 -6.472 19087 317 1 1 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.307 1.093 19087 318 1 1 . 1 1 80 80 TYR C C 80 176.410 176.410 173.904 2.506 19087 319 1 1 . 1 1 80 80 TYR CA C 80 56.608 56.608 55.524 1.084 19087 320 1 1 . 1 1 80 80 TYR CB C 80 42.567 42.567 41.571 0.996 19087 321 1 1 . 1 1 80 80 TYR H H 80 9.702 9.702 8.810 0.892 19087 322 1 1 . 1 1 81 81 TYR N N 81 117.754 117.754 122.263 -4.509 19087 323 1 1 . 1 1 81 81 TYR HA H 81 5.474 5.474 4.632 0.842 19087 324 1 1 . 1 1 81 81 TYR C C 81 173.237 173.237 173.262 -0.025 19087 325 1 1 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.007 0.491 19087 326 1 1 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.353 1.896 19087 327 1 1 . 1 1 81 81 TYR H H 81 8.221 8.221 7.758 0.463 19087 328 1 1 . 1 1 82 82 THR N N 82 111.056 111.056 113.832 -2.776 19087 329 1 1 . 1 1 82 82 THR HA H 82 4.724 4.724 4.524 0.200 19087 330 1 1 . 1 1 82 82 THR C C 82 174.521 174.521 173.895 0.626 19087 331 1 1 . 1 1 82 82 THR CA C 82 60.896 60.896 60.215 0.681 19087 332 1 1 . 1 1 82 82 THR CB C 82 71.506 71.506 71.072 0.434 19087 333 1 1 . 1 1 82 82 THR H H 82 8.245 8.245 8.091 0.154 19087 334 1 1 . 1 1 83 83 GLU N N 83 117.058 117.058 119.983 -2.925 19087 335 1 1 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.467 0.010 19087 336 1 1 . 1 1 83 83 GLU C C 83 176.152 176.152 175.927 0.225 19087 337 1 1 . 1 1 83 83 GLU CA C 83 57.179 57.179 55.424 1.755 19087 338 1 1 . 1 1 83 83 GLU CB C 83 28.714 28.714 29.330 -0.616 19087 339 1 1 . 1 1 83 83 GLU H H 83 8.772 8.772 8.601 0.171 19087 340 1 1 . 1 1 84 84 VAL N N 84 123.039 123.039 121.667 1.372 19087 341 1 1 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.954 -0.060 19087 342 1 1 . 1 1 84 84 VAL C C 84 177.170 177.170 176.455 0.715 19087 343 1 1 . 1 1 84 84 VAL CA C 84 63.678 63.678 63.521 0.157 19087 344 1 1 . 1 1 84 84 VAL CB C 84 32.474 32.474 31.981 0.493 19087 345 1 1 . 1 1 84 84 VAL H H 84 7.818 7.818 7.543 0.275 19087 346 1 1 . 1 1 85 85 GLU N N 85 129.351 129.351 127.421 1.930 19087 347 1 1 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.976 -0.084 19087 348 1 1 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.409 0.596 19087 349 1 1 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.831 0.692 19087 350 1 1 . 1 1 85 85 GLU H H 85 8.796 8.796 9.089 -0.293 19087 351 1 1 . 1 1 86 86 GLY C C 86 176.321 176.321 175.256 1.065 19087 352 1 1 . 1 1 86 86 GLY CA C 86 45.876 45.876 44.943 0.933 19087 353 1 1 . 1 1 87 87 GLU N N 87 121.773 121.773 121.560 0.213 19087 354 1 1 . 1 1 87 87 GLU HA H 87 3.948 3.948 3.895 0.053 19087 355 1 1 . 1 1 87 87 GLU C C 87 178.276 178.276 177.503 0.773 19087 356 1 1 . 1 1 87 87 GLU CA C 87 61.762 61.762 59.473 2.289 19087 357 1 1 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.808 0.288 19087 358 1 1 . 1 1 87 87 GLU H H 87 8.133 8.133 7.911 0.222 19087 359 1 1 . 1 1 88 88 ARG N N 88 121.466 121.466 117.329 4.137 19087 360 1 1 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.158 0.204 19087 361 1 1 . 1 1 88 88 ARG C C 88 177.229 177.229 177.388 -0.159 19087 362 1 1 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.204 1.289 19087 363 1 1 . 1 1 88 88 ARG CB C 88 29.059 29.059 28.800 0.259 19087 364 1 1 . 1 1 88 88 ARG H H 88 9.132 9.132 8.107 1.025 19087 365 1 1 . 1 1 89 89 ALA N N 89 119.527 119.527 121.966 -2.439 19087 366 1 1 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.006 0.177 19087 367 1 1 . 1 1 89 89 ALA C C 89 181.949 181.949 179.131 2.818 19087 368 1 1 . 1 1 89 89 ALA CA C 89 55.282 55.282 55.152 0.130 19087 369 1 1 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.049 0.079 19087 370 1 1 . 1 1 89 89 ALA H H 89 8.388 8.388 7.758 0.630 19087 371 1 1 . 1 1 90 90 THR N N 90 115.279 115.279 113.428 1.851 19087 372 1 1 . 1 1 90 90 THR HA H 90 4.146 4.146 3.871 0.275 19087 373 1 1 . 1 1 90 90 THR C C 90 175.118 175.118 176.227 -1.109 19087 374 1 1 . 1 1 90 90 THR CA C 90 66.607 66.607 65.486 1.121 19087 375 1 1 . 1 1 90 90 THR CB C 90 68.971 68.971 68.333 0.638 19087 376 1 1 . 1 1 90 90 THR H H 90 7.640 7.640 7.605 0.035 19087 377 1 1 . 1 1 91 91 ALA N N 91 124.784 124.784 122.114 2.670 19087 378 1 1 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.032 -0.263 19087 379 1 1 . 1 1 91 91 ALA C C 91 178.546 178.546 179.111 -0.565 19087 380 1 1 . 1 1 91 91 ALA CA C 91 55.552 55.552 54.742 0.810 19087 381 1 1 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.466 0.787 19087 382 1 1 . 1 1 91 91 ALA H H 91 9.095 9.095 7.483 1.612 19087 383 1 1 . 1 1 92 92 ASP N N 92 118.310 118.310 119.029 -0.719 19087 384 1 1 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.356 0.061 19087 385 1 1 . 1 1 92 92 ASP C C 92 179.053 179.053 177.603 1.450 19087 386 1 1 . 1 1 92 92 ASP CA C 92 57.642 57.642 56.867 0.774 19087 387 1 1 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.747 -0.318 19087 388 1 1 . 1 1 92 92 ASP H H 92 8.898 8.898 7.857 1.041 19087 389 1 1 . 1 1 93 93 ALA N N 93 122.980 122.980 120.978 2.002 19087 390 1 1 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.171 0.103 19087 391 1 1 . 1 1 93 93 ALA C C 93 180.933 180.933 179.719 1.214 19087 392 1 1 . 1 1 93 93 ALA CA C 93 55.575 55.575 54.701 0.874 19087 393 1 1 . 1 1 93 93 ALA CB C 93 18.176 18.176 19.049 -0.873 19087 394 1 1 . 1 1 93 93 ALA H H 93 7.424 7.424 7.307 0.117 19087 395 1 1 . 1 1 94 94 VAL N N 94 123.968 123.968 118.719 5.249 19087 396 1 1 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.788 -0.844 19087 397 1 1 . 1 1 94 94 VAL C C 94 178.269 178.269 178.251 0.018 19087 398 1 1 . 1 1 94 94 VAL CA C 94 66.399 66.399 65.672 0.727 19087 399 1 1 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.448 -0.745 19087 400 1 1 . 1 1 94 94 VAL H H 94 8.808 8.808 7.959 0.849 19087 401 1 1 . 1 1 95 95 GLY N N 95 108.282 108.282 106.265 2.017 19087 402 1 1 . 1 1 95 95 GLY C C 95 176.440 176.440 175.449 0.991 19087 403 1 1 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.412 0.507 19087 404 1 1 . 1 1 95 95 GLY H H 95 9.355 9.355 8.511 0.844 19087 405 1 1 . 1 1 96 96 ARG N N 96 120.852 120.852 118.249 2.603 19087 406 1 1 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.301 -0.098 19087 407 1 1 . 1 1 96 96 ARG C C 96 179.101 179.101 177.785 1.316 19087 408 1 1 . 1 1 96 96 ARG CA C 96 59.210 59.210 57.903 1.307 19087 409 1 1 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.483 0.051 19087 410 1 1 . 1 1 96 96 ARG H H 96 8.112 8.112 7.425 0.687 19087 411 1 1 . 1 1 97 97 THR N N 97 117.170 117.170 115.043 2.127 19087 412 1 1 . 1 1 97 97 THR HA H 97 3.986 3.986 4.113 -0.127 19087 413 1 1 . 1 1 97 97 THR C C 97 175.451 175.451 175.859 -0.408 19087 414 1 1 . 1 1 97 97 THR CA C 97 66.867 66.867 65.135 1.732 19087 415 1 1 . 1 1 97 97 THR CB C 97 68.205 68.205 69.119 -0.914 19087 416 1 1 . 1 1 97 97 THR H H 97 7.854 7.854 7.623 0.231 19087 417 1 1 . 1 1 98 98 LEU N N 98 115.294 115.294 120.627 -5.333 19087 418 1 1 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.436 -0.131 19087 419 1 1 . 1 1 98 98 LEU C C 98 177.537 177.537 177.130 0.407 19087 420 1 1 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.203 -0.620 19087 421 1 1 . 1 1 98 98 LEU CB C 98 43.373 43.373 43.194 0.179 19087 422 1 1 . 1 1 98 98 LEU H H 98 7.855 7.855 7.987 -0.132 19087 423 1 1 . 1 1 99 99 GLY N N 99 111.931 111.931 108.049 3.882 19087 424 1 1 . 1 1 99 99 GLY C C 99 173.997 173.997 173.869 0.128 19087 425 1 1 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.222 1.771 19087 426 1 1 . 1 1 99 99 GLY H H 99 8.101 8.101 7.626 0.475 19087 427 1 1 . 1 1 100 100 ALA N N 100 121.739 121.739 122.491 -0.752 19087 428 1 1 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.583 0.154 19087 429 1 1 . 1 1 100 100 ALA C C 100 175.351 175.351 175.323 0.028 19087 430 1 1 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.638 -0.232 19087 431 1 1 . 1 1 100 100 ALA CB C 100 23.959 23.959 22.239 1.720 19087 432 1 1 . 1 1 100 100 ALA H H 100 8.033 8.033 8.030 0.003 19087 433 1 1 . 1 1 101 101 ALA N N 101 122.895 122.895 122.938 -0.043 19087 434 1 1 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.463 -0.254 19087 435 1 1 . 1 1 101 101 ALA C C 101 175.179 175.179 176.622 -1.443 19087 436 1 1 . 1 1 101 101 ALA CA C 101 52.737 52.737 52.008 0.729 19087 437 1 1 . 1 1 101 101 ALA CB C 101 19.814 19.814 18.862 0.952 19087 438 1 1 . 1 1 101 101 ALA H H 101 7.782 7.782 8.263 -0.481 19087 439 1 1 . 1 1 102 102 VAL N N 102 120.035 120.035 125.460 -5.425 19087 440 1 1 . 1 1 102 102 VAL HA H 102 5.054 5.054 4.648 0.406 19087 441 1 1 . 1 1 102 102 VAL C C 102 176.587 176.587 176.003 0.584 19087 442 1 1 . 1 1 102 102 VAL CA C 102 60.988 60.988 62.443 -1.455 19087 443 1 1 . 1 1 102 102 VAL CB C 102 33.725 33.725 32.594 1.131 19087 444 1 1 . 1 1 102 102 VAL H H 102 7.872 7.872 8.477 -0.605 19087 445 1 1 . 1 1 103 103 GLU N N 103 126.469 126.469 127.290 -0.821 19087 446 1 1 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.553 0.326 19087 447 1 1 . 1 1 103 103 GLU C C 103 174.343 174.343 174.460 -0.117 19087 448 1 1 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.367 -0.016 19087 449 1 1 . 1 1 103 103 GLU CB C 103 35.595 35.595 33.374 2.221 19087 450 1 1 . 1 1 103 103 GLU H H 103 9.215 9.215 8.634 0.581 19087 451 1 1 . 1 1 104 104 LEU N N 104 123.109 123.109 120.591 2.518 19087 452 1 1 . 1 1 104 104 LEU HA H 104 3.591 3.591 3.425 0.166 19087 453 1 1 . 1 1 104 104 LEU C C 104 178.379 178.379 177.558 0.821 19087 454 1 1 . 1 1 104 104 LEU CA C 104 54.920 54.920 54.672 0.248 19087 455 1 1 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.342 0.569 19087 456 1 1 . 1 1 104 104 LEU H H 104 8.273 8.273 8.405 -0.132 19087 457 1 1 . 1 1 105 105 ARG N N 105 119.790 119.790 118.420 1.370 19087 458 1 1 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.367 -0.106 19087 459 1 1 . 1 1 105 105 ARG C C 105 177.043 177.043 176.553 0.490 19087 460 1 1 . 1 1 105 105 ARG CA C 105 59.310 59.310 56.863 2.447 19087 461 1 1 . 1 1 105 105 ARG CB C 105 32.077 32.077 29.009 3.068 19087 462 1 1 . 1 1 105 105 ARG H H 105 8.300 8.300 8.497 -0.197 19087 463 1 1 . 1 1 106 106 LEU N N 106 122.431 122.431 121.643 0.788 19087 464 1 1 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.361 0.037 19087 465 1 1 . 1 1 106 106 LEU CA C 106 54.701 54.701 58.045 -3.344 19087 466 1 1 . 1 1 106 106 LEU CB C 106 42.469 42.469 39.857 2.612 19087 467 1 1 . 1 1 106 106 LEU H H 106 8.026 8.026 7.255 0.771 19087 468 1 1 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.184 0.055 19087 469 1 1 . 1 1 107 107 PRO C C 107 179.627 179.627 178.127 1.500 19087 470 1 1 . 1 1 107 107 PRO CA C 107 65.898 65.898 65.181 0.717 19087 471 1 1 . 1 1 107 107 PRO CB C 107 31.519 31.519 30.535 0.984 19087 472 1 1 . 1 1 108 108 GLU N N 108 116.744 116.744 117.790 -1.046 19087 473 1 1 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.049 0.049 19087 474 1 1 . 1 1 108 108 GLU C C 108 176.957 176.957 177.998 -1.041 19087 475 1 1 . 1 1 108 108 GLU CA C 108 59.584 59.584 59.129 0.455 19087 476 1 1 . 1 1 108 108 GLU CB C 108 29.157 29.157 29.150 0.007 19087 477 1 1 . 1 1 108 108 GLU H H 108 9.605 9.605 8.439 1.166 19087 478 1 1 . 1 1 109 109 LEU N N 109 116.575 116.575 120.147 -3.572 19087 479 1 1 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.276 0.254 19087 480 1 1 . 1 1 109 109 LEU C C 109 177.894 177.894 178.211 -0.317 19087 481 1 1 . 1 1 109 109 LEU CA C 109 53.489 53.489 56.817 -3.328 19087 482 1 1 . 1 1 109 109 LEU CB C 109 42.241 42.241 42.443 -0.202 19087 483 1 1 . 1 1 109 109 LEU H H 109 7.630 7.630 7.613 0.017 19087 484 1 1 . 1 1 110 110 SER N N 110 117.031 117.031 114.593 2.438 19087 485 1 1 . 1 1 110 110 SER HA H 110 3.943 3.943 4.189 -0.246 19087 486 1 1 . 1 1 110 110 SER C C 110 174.273 174.273 175.079 -0.806 19087 487 1 1 . 1 1 110 110 SER CA C 110 59.543 59.543 60.984 -1.441 19087 488 1 1 . 1 1 110 110 SER CB C 110 63.609 63.609 63.583 0.027 19087 489 1 1 . 1 1 110 110 SER H H 110 7.757 7.757 7.832 -0.075 19087 490 1 1 . 1 1 111 111 ASP N N 111 117.804 117.804 118.714 -0.910 19087 491 1 1 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.661 -0.079 19087 492 1 1 . 1 1 111 111 ASP C C 111 176.760 176.760 175.132 1.628 19087 493 1 1 . 1 1 111 111 ASP CA C 111 53.976 53.976 54.012 -0.036 19087 494 1 1 . 1 1 111 111 ASP CB C 111 40.183 40.183 43.116 -2.933 19087 495 1 1 . 1 1 111 111 ASP H H 111 8.315 8.315 7.870 0.445 19087 496 1 1 . 1 1 112 112 GLN N N 112 119.300 119.300 118.026 1.274 19087 497 1 1 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.186 0.114 19087 498 1 1 . 1 1 112 112 GLN CA C 112 55.014 55.014 55.884 -0.870 19087 499 1 1 . 1 1 112 112 GLN CB C 112 26.568 26.568 27.076 -0.508 19087 500 1 1 . 1 1 112 112 GLN H H 112 7.212 7.212 7.720 -0.508 19087 501 1 1 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.452 0.075 19087 502 1 1 . 1 1 114 114 PRO C C 114 175.464 175.464 177.052 -1.588 19087 503 1 1 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.349 0.721 19087 504 1 1 . 1 1 114 114 PRO CB C 114 32.447 32.447 31.748 0.699 19087 505 1 1 . 1 1 115 115 GLY N N 115 113.817 113.817 112.768 1.049 19087 506 1 1 . 1 1 115 115 GLY C C 115 173.552 173.552 173.528 0.024 19087 507 1 1 . 1 1 115 115 GLY CA C 115 43.953 43.953 45.677 -1.724 19087 508 1 1 . 1 1 115 115 GLY H H 115 8.443 8.443 8.369 0.074 19087 509 1 1 . 1 1 116 116 VAL N N 116 122.049 122.049 122.675 -0.626 19087 510 1 1 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.562 -0.431 19087 511 1 1 . 1 1 116 116 VAL C C 116 174.533 174.533 175.091 -0.558 19087 512 1 1 . 1 1 116 116 VAL CA C 116 63.916 63.916 61.531 2.385 19087 513 1 1 . 1 1 116 116 VAL CB C 116 32.342 32.342 33.457 -1.115 19087 514 1 1 . 1 1 116 116 VAL H H 116 8.957 8.957 7.782 1.175 19087 515 1 1 . 1 1 117 117 ILE N N 117 126.102 126.102 122.117 3.985 19087 516 1 1 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.189 -0.250 19087 517 1 1 . 1 1 117 117 ILE C C 117 174.181 174.181 174.282 -0.101 19087 518 1 1 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.699 1.370 19087 519 1 1 . 1 1 117 117 ILE CB C 117 42.368 42.368 42.590 -0.222 19087 520 1 1 . 1 1 117 117 ILE H H 117 7.863 7.863 8.757 -0.894 19087 521 1 1 . 1 1 118 118 VAL N N 118 127.665 127.665 123.178 4.487 19087 522 1 1 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.387 0.537 19087 523 1 1 . 1 1 118 118 VAL C C 118 175.224 175.224 175.079 0.145 19087 524 1 1 . 1 1 118 118 VAL CA C 118 60.580 60.580 60.686 -0.106 19087 525 1 1 . 1 1 118 118 VAL CB C 118 33.945 33.945 31.850 2.095 19087 526 1 1 . 1 1 118 118 VAL H H 118 9.348 9.348 8.215 1.133 19087 527 1 1 . 1 1 119 119 VAL N N 119 121.828 121.828 129.757 -7.929 19087 528 1 1 . 1 1 119 119 VAL HA H 119 5.563 5.563 5.099 0.464 19087 529 1 1 . 1 1 119 119 VAL C C 119 174.425 174.425 175.612 -1.187 19087 530 1 1 . 1 1 119 119 VAL CA C 119 58.691 58.691 61.352 -2.661 19087 531 1 1 . 1 1 119 119 VAL CB C 119 32.886 32.886 32.760 0.126 19087 532 1 1 . 1 1 119 119 VAL H H 119 9.096 9.096 8.879 0.217 19087 533 1 1 . 1 1 120 120 VAL N N 120 120.260 120.260 127.704 -7.444 19087 534 1 1 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.545 0.273 19087 535 1 1 . 1 1 120 120 VAL C C 120 175.649 175.649 175.530 0.119 19087 536 1 1 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.185 0.446 19087 537 1 1 . 1 1 120 120 VAL CB C 120 34.550 34.550 33.472 1.078 19087 538 1 1 . 1 1 120 120 VAL H H 120 8.809 8.809 8.604 0.205 19087 539 1 1 . 1 1 121 121 THR N N 121 114.564 114.564 117.916 -3.352 19087 540 1 1 . 1 1 121 121 THR HA H 121 4.428 4.428 4.489 -0.061 19087 541 1 1 . 1 1 121 121 THR C C 121 173.833 173.833 173.767 0.066 19087 542 1 1 . 1 1 121 121 THR CA C 121 60.834 60.834 61.094 -0.260 19087 543 1 1 . 1 1 121 121 THR CB C 121 69.413 69.413 70.023 -0.610 19087 544 1 1 . 1 1 121 121 THR H H 121 7.859 7.859 8.505 -0.646 19087 545 1 2 . 1 1 6 6 SER C C 6 174.665 174.665 173.906 0.759 19087 546 1 2 . 1 1 6 6 SER CA C 6 58.745 58.745 58.800 -0.055 19087 547 1 2 . 1 1 6 6 SER CB C 6 63.870 63.870 63.068 0.802 19087 548 1 2 . 1 1 7 7 GLU N N 7 122.278 122.278 120.986 1.292 19087 549 1 2 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.138 0.590 19087 550 1 2 . 1 1 7 7 GLU C C 7 176.279 176.279 177.405 -1.126 19087 551 1 2 . 1 1 7 7 GLU CA C 7 56.894 56.894 58.052 -1.158 19087 552 1 2 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.865 0.344 19087 553 1 2 . 1 1 7 7 GLU H H 7 8.475 8.475 8.613 -0.138 19087 554 1 2 . 1 1 8 8 ASP N N 8 120.753 120.753 117.207 3.546 19087 555 1 2 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.604 0.105 19087 556 1 2 . 1 1 8 8 ASP C C 8 176.070 176.070 175.389 0.681 19087 557 1 2 . 1 1 8 8 ASP CA C 8 54.366 54.366 54.355 0.012 19087 558 1 2 . 1 1 8 8 ASP CB C 8 41.459 41.459 41.797 -0.338 19087 559 1 2 . 1 1 8 8 ASP H H 8 8.206 8.206 7.795 0.411 19087 560 1 2 . 1 1 9 9 ASP N N 9 121.430 121.430 121.062 0.368 19087 561 1 2 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.452 0.252 19087 562 1 2 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.816 -0.372 19087 563 1 2 . 1 1 9 9 ASP CB C 9 41.220 41.220 40.674 0.546 19087 564 1 2 . 1 1 9 9 ASP H H 9 8.256 8.256 8.337 -0.081 19087 565 1 2 . 1 1 11 11 SER C C 11 174.517 174.517 173.506 1.011 19087 566 1 2 . 1 1 11 11 SER CA C 11 59.364 59.364 58.401 0.963 19087 567 1 2 . 1 1 11 11 SER CB C 11 63.989 63.989 63.636 0.353 19087 568 1 2 . 1 1 12 12 ALA N N 12 125.500 125.500 128.158 -2.658 19087 569 1 2 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.507 -0.151 19087 570 1 2 . 1 1 12 12 ALA C C 12 177.811 177.811 175.519 2.292 19087 571 1 2 . 1 1 12 12 ALA CA C 12 52.815 52.815 52.536 0.279 19087 572 1 2 . 1 1 12 12 ALA CB C 12 19.204 19.204 19.446 -0.242 19087 573 1 2 . 1 1 12 12 ALA H H 12 8.087 8.087 8.348 -0.261 19087 574 1 2 . 1 1 13 13 ILE N N 13 119.045 119.045 123.789 -4.744 19087 575 1 2 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.402 -0.209 19087 576 1 2 . 1 1 13 13 ILE CA C 13 61.163 61.163 60.996 0.167 19087 577 1 2 . 1 1 13 13 ILE CB C 13 38.721 38.721 39.654 -0.933 19087 578 1 2 . 1 1 13 13 ILE H H 13 7.938 7.938 8.166 -0.228 19087 579 1 2 . 1 1 14 14 SER N N 14 119.662 119.662 124.139 -4.477 19087 580 1 2 . 1 1 14 14 SER H H 14 8.339 8.339 8.424 -0.085 19087 581 1 2 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.553 -0.267 19087 582 1 2 . 1 1 21 21 ALA C C 21 177.013 177.013 176.998 0.015 19087 583 1 2 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.771 -0.186 19087 584 1 2 . 1 1 21 21 ALA CB C 21 19.339 19.339 19.259 0.080 19087 585 1 2 . 1 1 22 22 ALA N N 22 124.579 124.579 128.071 -3.492 19087 586 1 2 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.536 0.189 19087 587 1 2 . 1 1 22 22 ALA CA C 22 50.310 50.310 50.735 -0.425 19087 588 1 2 . 1 1 22 22 ALA CB C 22 18.232 18.232 18.654 -0.422 19087 589 1 2 . 1 1 22 22 ALA H H 22 8.182 8.182 8.575 -0.393 19087 590 1 2 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.245 -0.110 19087 591 1 2 . 1 1 28 28 VAL C C 28 175.779 175.779 175.082 0.697 19087 592 1 2 . 1 1 28 28 VAL CA C 28 62.167 62.167 62.045 0.122 19087 593 1 2 . 1 1 28 28 VAL CB C 28 32.681 32.681 32.815 -0.134 19087 594 1 2 . 1 1 29 29 LYS N N 29 126.858 126.858 129.119 -2.261 19087 595 1 2 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.677 0.035 19087 596 1 2 . 1 1 29 29 LYS CA C 29 54.135 54.135 53.658 0.477 19087 597 1 2 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.522 0.124 19087 598 1 2 . 1 1 29 29 LYS H H 29 8.346 8.346 8.411 -0.065 19087 599 1 2 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.461 -0.059 19087 600 1 2 . 1 1 30 30 PRO C C 30 176.435 176.435 176.354 0.081 19087 601 1 2 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.827 -0.051 19087 602 1 2 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.684 -0.530 19087 603 1 2 . 1 1 31 31 ALA N N 31 124.680 124.680 125.798 -1.118 19087 604 1 2 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.417 -0.070 19087 605 1 2 . 1 1 31 31 ALA C C 31 176.860 176.860 177.304 -0.444 19087 606 1 2 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.498 0.818 19087 607 1 2 . 1 1 31 31 ALA CB C 31 19.398 19.398 19.369 0.030 19087 608 1 2 . 1 1 31 31 ALA H H 31 8.324 8.324 8.352 -0.028 19087 609 1 2 . 1 1 32 32 ALA N N 32 125.011 125.011 128.716 -3.705 19087 610 1 2 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.445 0.291 19087 611 1 2 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.484 0.003 19087 612 1 2 . 1 1 32 32 ALA CB C 32 18.203 18.203 18.492 -0.289 19087 613 1 2 . 1 1 32 32 ALA H H 32 8.246 8.246 8.416 -0.170 19087 614 1 2 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.583 -0.117 19087 615 1 2 . 1 1 33 33 PRO C C 33 176.834 176.834 175.644 1.190 19087 616 1 2 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.713 0.112 19087 617 1 2 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.747 -0.752 19087 618 1 2 . 1 1 34 34 ARG N N 34 121.170 121.170 121.271 -0.101 19087 619 1 2 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.359 0.027 19087 620 1 2 . 1 1 34 34 ARG C C 34 175.853 175.853 175.203 0.650 19087 621 1 2 . 1 1 34 34 ARG CA C 34 55.912 55.912 56.588 -0.676 19087 622 1 2 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.639 0.033 19087 623 1 2 . 1 1 34 34 ARG H H 34 8.349 8.349 8.376 -0.027 19087 624 1 2 . 1 1 35 35 ALA N N 35 124.878 124.878 124.987 -0.109 19087 625 1 2 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.880 -0.268 19087 626 1 2 . 1 1 35 35 ALA C C 35 176.170 176.170 175.585 0.585 19087 627 1 2 . 1 1 35 35 ALA CA C 35 51.566 51.566 51.031 0.535 19087 628 1 2 . 1 1 35 35 ALA CB C 35 20.722 20.722 20.412 0.310 19087 629 1 2 . 1 1 35 35 ALA H H 35 8.008 8.008 7.809 0.199 19087 630 1 2 . 1 1 36 36 GLU N N 36 119.776 119.776 126.988 -7.212 19087 631 1 2 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.786 -0.355 19087 632 1 2 . 1 1 36 36 GLU C C 36 174.618 174.618 175.076 -0.458 19087 633 1 2 . 1 1 36 36 GLU CA C 36 56.472 56.472 55.103 1.369 19087 634 1 2 . 1 1 36 36 GLU CB C 36 31.124 31.124 31.236 -0.112 19087 635 1 2 . 1 1 36 36 GLU H H 36 8.495 8.495 8.396 0.099 19087 636 1 2 . 1 1 37 37 VAL N N 37 119.808 119.808 127.072 -7.264 19087 637 1 2 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.608 0.294 19087 638 1 2 . 1 1 37 37 VAL C C 37 174.285 174.285 174.971 -0.686 19087 639 1 2 . 1 1 37 37 VAL CA C 37 60.639 60.639 61.933 -1.294 19087 640 1 2 . 1 1 37 37 VAL CB C 37 34.612 34.612 32.703 1.909 19087 641 1 2 . 1 1 37 37 VAL H H 37 8.494 8.494 8.773 -0.279 19087 642 1 2 . 1 1 38 38 ARG N N 38 124.534 124.534 124.483 0.051 19087 643 1 2 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.259 -0.333 19087 644 1 2 . 1 1 38 38 ARG C C 38 174.239 174.239 174.394 -0.155 19087 645 1 2 . 1 1 38 38 ARG CA C 38 55.092 55.092 54.503 0.589 19087 646 1 2 . 1 1 38 38 ARG CB C 38 34.190 34.190 33.890 0.300 19087 647 1 2 . 1 1 38 38 ARG H H 38 8.652 8.652 9.135 -0.483 19087 648 1 2 . 1 1 39 39 VAL N N 39 121.231 121.231 122.625 -1.394 19087 649 1 2 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.707 0.091 19087 650 1 2 . 1 1 39 39 VAL C C 39 173.357 173.357 174.526 -1.169 19087 651 1 2 . 1 1 39 39 VAL CA C 39 60.638 60.638 60.853 -0.215 19087 652 1 2 . 1 1 39 39 VAL CB C 39 34.294 34.294 33.022 1.272 19087 653 1 2 . 1 1 39 39 VAL H H 39 7.934 7.934 8.483 -0.549 19087 654 1 2 . 1 1 40 40 TYR N N 40 122.262 122.262 125.569 -3.307 19087 655 1 2 . 1 1 40 40 TYR HA H 40 5.154 5.154 4.929 0.225 19087 656 1 2 . 1 1 40 40 TYR C C 40 175.124 175.124 174.840 0.284 19087 657 1 2 . 1 1 40 40 TYR CA C 40 55.540 55.540 56.446 -0.906 19087 658 1 2 . 1 1 40 40 TYR CB C 40 42.223 42.223 40.834 1.389 19087 659 1 2 . 1 1 40 40 TYR H H 40 9.343 9.343 9.225 0.118 19087 660 1 2 . 1 1 41 41 ASN N N 41 121.684 121.684 124.019 -2.335 19087 661 1 2 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.239 -0.207 19087 662 1 2 . 1 1 41 41 ASN C C 41 176.301 176.301 175.518 0.783 19087 663 1 2 . 1 1 41 41 ASN CA C 41 52.635 52.635 54.157 -1.522 19087 664 1 2 . 1 1 41 41 ASN CB C 41 39.836 39.836 39.677 0.159 19087 665 1 2 . 1 1 41 41 ASN H H 41 9.287 9.287 8.524 0.763 19087 666 1 2 . 1 1 42 42 ILE N N 42 119.462 119.462 125.855 -6.393 19087 667 1 2 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.261 1.189 19087 668 1 2 . 1 1 42 42 ILE C C 42 176.450 176.450 175.520 0.930 19087 669 1 2 . 1 1 42 42 ILE CA C 42 60.513 60.513 62.633 -2.120 19087 670 1 2 . 1 1 42 42 ILE CB C 42 38.597 38.597 39.084 -0.487 19087 671 1 2 . 1 1 42 42 ILE H H 42 8.541 8.541 8.403 0.138 19087 672 1 2 . 1 1 43 43 SER N N 43 118.212 118.212 114.580 3.632 19087 673 1 2 . 1 1 43 43 SER HA H 43 4.729 4.729 4.622 0.107 19087 674 1 2 . 1 1 43 43 SER CA C 43 58.598 58.598 57.649 0.949 19087 675 1 2 . 1 1 43 43 SER CB C 43 66.262 66.262 64.548 1.714 19087 676 1 2 . 1 1 43 43 SER H H 43 8.142 8.142 7.379 0.763 19087 677 1 2 . 1 1 44 44 GLY C C 44 174.414 174.414 174.003 0.411 19087 678 1 2 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.521 -0.142 19087 679 1 2 . 1 1 45 45 THR N N 45 116.371 116.371 118.531 -2.160 19087 680 1 2 . 1 1 45 45 THR HA H 45 4.384 4.384 4.334 0.050 19087 681 1 2 . 1 1 45 45 THR CA C 45 61.814 61.814 62.501 -0.687 19087 682 1 2 . 1 1 45 45 THR CB C 45 69.787 69.787 68.902 0.885 19087 683 1 2 . 1 1 45 45 THR H H 45 8.298 8.298 8.216 0.082 19087 684 1 2 . 1 1 47 47 GLY C C 47 175.691 175.691 175.787 -0.096 19087 685 1 2 . 1 1 47 47 GLY CA C 47 46.191 46.191 47.056 -0.865 19087 686 1 2 . 1 1 48 48 ALA N N 48 121.957 121.957 124.102 -2.145 19087 687 1 2 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.146 -0.117 19087 688 1 2 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.509 0.893 19087 689 1 2 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.276 0.216 19087 690 1 2 . 1 1 48 48 ALA H H 48 7.511 7.511 8.347 -0.836 19087 691 1 2 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.953 0.031 19087 692 1 2 . 1 1 49 49 ALA C C 49 178.073 178.073 178.484 -0.411 19087 693 1 2 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.581 0.280 19087 694 1 2 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.676 0.013 19087 695 1 2 . 1 1 50 50 ALA N N 50 122.654 122.654 119.520 3.134 19087 696 1 2 . 1 1 50 50 ALA HA H 50 3.989 3.989 4.157 -0.168 19087 697 1 2 . 1 1 50 50 ALA C C 50 179.642 179.642 179.369 0.273 19087 698 1 2 . 1 1 50 50 ALA CA C 50 55.851 55.851 53.903 1.948 19087 699 1 2 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.467 -0.679 19087 700 1 2 . 1 1 50 50 ALA H H 50 7.965 7.965 7.373 0.592 19087 701 1 2 . 1 1 51 51 ARG N N 51 116.659 116.659 117.483 -0.824 19087 702 1 2 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.476 -0.285 19087 703 1 2 . 1 1 51 51 ARG C C 51 179.931 179.931 178.472 1.459 19087 704 1 2 . 1 1 51 51 ARG CA C 51 59.512 59.512 57.009 2.503 19087 705 1 2 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.201 1.262 19087 706 1 2 . 1 1 51 51 ARG H H 51 7.982 7.982 7.965 0.017 19087 707 1 2 . 1 1 52 52 THR N N 52 117.745 117.745 111.688 6.057 19087 708 1 2 . 1 1 52 52 THR HA H 52 4.162 4.162 4.037 0.125 19087 709 1 2 . 1 1 52 52 THR C C 52 175.626 175.626 175.910 -0.284 19087 710 1 2 . 1 1 52 52 THR CA C 52 68.565 68.565 66.223 2.342 19087 711 1 2 . 1 1 52 52 THR CB C 52 70.787 70.787 68.080 2.707 19087 712 1 2 . 1 1 52 52 THR H H 52 7.661 7.661 7.685 -0.024 19087 713 1 2 . 1 1 53 53 ALA N N 53 123.939 123.939 124.809 -0.870 19087 714 1 2 . 1 1 53 53 ALA HA H 53 3.886 3.886 3.914 -0.028 19087 715 1 2 . 1 1 53 53 ALA C C 53 179.013 179.013 179.305 -0.292 19087 716 1 2 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.869 1.328 19087 717 1 2 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.534 0.183 19087 718 1 2 . 1 1 53 53 ALA H H 53 8.805 8.805 7.580 1.225 19087 719 1 2 . 1 1 54 54 ASP N N 54 118.351 118.351 118.756 -0.405 19087 720 1 2 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.344 0.088 19087 721 1 2 . 1 1 54 54 ASP C C 54 179.376 179.376 178.643 0.733 19087 722 1 2 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.593 0.414 19087 723 1 2 . 1 1 54 54 ASP CB C 54 40.242 40.242 40.372 -0.130 19087 724 1 2 . 1 1 54 54 ASP H H 54 8.327 8.327 7.871 0.456 19087 725 1 2 . 1 1 55 55 ARG N N 55 121.120 121.120 120.480 0.640 19087 726 1 2 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.162 0.013 19087 727 1 2 . 1 1 55 55 ARG C C 55 179.550 179.550 178.832 0.718 19087 728 1 2 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.463 0.822 19087 729 1 2 . 1 1 55 55 ARG CB C 55 30.320 30.320 29.882 0.438 19087 730 1 2 . 1 1 55 55 ARG H H 55 7.723 7.723 7.822 -0.099 19087 731 1 2 . 1 1 56 56 LEU N N 56 118.659 118.659 119.872 -1.213 19087 732 1 2 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.291 0.041 19087 733 1 2 . 1 1 56 56 LEU C C 56 179.305 179.305 178.801 0.504 19087 734 1 2 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.878 -0.441 19087 735 1 2 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.237 0.050 19087 736 1 2 . 1 1 56 56 LEU H H 56 8.215 8.215 7.753 0.462 19087 737 1 2 . 1 1 57 57 LYS N N 57 122.713 122.713 121.170 1.543 19087 738 1 2 . 1 1 57 57 LYS HA H 57 4.513 4.513 4.090 0.423 19087 739 1 2 . 1 1 57 57 LYS C C 57 181.436 181.436 178.691 2.745 19087 740 1 2 . 1 1 57 57 LYS CA C 57 60.004 60.004 58.957 1.047 19087 741 1 2 . 1 1 57 57 LYS CB C 57 32.437 32.437 32.170 0.267 19087 742 1 2 . 1 1 57 57 LYS H H 57 8.914 8.914 8.067 0.847 19087 743 1 2 . 1 1 58 58 ALA N N 58 122.423 122.423 119.729 2.694 19087 744 1 2 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.310 -0.100 19087 745 1 2 . 1 1 58 58 ALA C C 58 178.516 178.516 179.266 -0.750 19087 746 1 2 . 1 1 58 58 ALA CA C 58 55.069 55.069 54.031 1.038 19087 747 1 2 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.421 -0.512 19087 748 1 2 . 1 1 58 58 ALA H H 58 8.026 8.026 7.782 0.244 19087 749 1 2 . 1 1 59 59 ALA N N 59 118.347 118.347 120.282 -1.935 19087 750 1 2 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.356 0.130 19087 751 1 2 . 1 1 59 59 ALA C C 59 176.797 176.797 177.876 -1.079 19087 752 1 2 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.343 -0.585 19087 753 1 2 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.703 -0.334 19087 754 1 2 . 1 1 59 59 ALA H H 59 7.413 7.413 7.817 -0.404 19087 755 1 2 . 1 1 60 60 GLY N N 60 104.918 104.918 107.120 -2.202 19087 756 1 2 . 1 1 60 60 GLY C C 60 174.741 174.741 174.225 0.516 19087 757 1 2 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.706 0.530 19087 758 1 2 . 1 1 60 60 GLY H H 60 7.694 7.694 7.680 0.014 19087 759 1 2 . 1 1 61 61 PHE N N 61 118.862 118.862 119.288 -0.426 19087 760 1 2 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.590 -0.095 19087 761 1 2 . 1 1 61 61 PHE C C 61 175.204 175.204 176.868 -1.664 19087 762 1 2 . 1 1 61 61 PHE CA C 61 58.483 58.483 58.502 -0.018 19087 763 1 2 . 1 1 61 61 PHE CB C 61 39.163 39.163 39.584 -0.421 19087 764 1 2 . 1 1 61 61 PHE H H 61 7.879 7.879 8.211 -0.332 19087 765 1 2 . 1 1 62 62 THR N N 62 121.319 121.319 116.265 5.054 19087 766 1 2 . 1 1 62 62 THR HA H 62 4.303 4.303 4.107 0.196 19087 767 1 2 . 1 1 62 62 THR C C 62 173.073 173.073 174.822 -1.749 19087 768 1 2 . 1 1 62 62 THR CA C 62 69.389 69.389 65.531 3.858 19087 769 1 2 . 1 1 62 62 THR CB C 62 62.478 62.478 69.363 -6.885 19087 770 1 2 . 1 1 62 62 THR H H 62 9.493 9.493 8.672 0.821 19087 771 1 2 . 1 1 63 63 VAL N N 63 128.406 128.406 119.981 8.425 19087 772 1 2 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.367 0.293 19087 773 1 2 . 1 1 63 63 VAL C C 63 177.267 177.267 174.067 3.200 19087 774 1 2 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.572 -1.472 19087 775 1 2 . 1 1 63 63 VAL CB C 63 32.572 32.572 35.062 -2.490 19087 776 1 2 . 1 1 63 63 VAL H H 63 8.293 8.293 7.555 0.738 19087 777 1 2 . 1 1 64 64 THR N N 64 118.495 118.495 116.119 2.376 19087 778 1 2 . 1 1 64 64 THR HA H 64 4.350 4.350 5.154 -0.804 19087 779 1 2 . 1 1 64 64 THR CA C 64 62.182 62.182 60.549 1.633 19087 780 1 2 . 1 1 64 64 THR CB C 64 69.143 69.143 70.649 -1.506 19087 781 1 2 . 1 1 64 64 THR H H 64 8.770 8.770 8.428 0.342 19087 782 1 2 . 1 1 65 65 ASP HA H 65 4.301 4.301 5.016 -0.715 19087 783 1 2 . 1 1 65 65 ASP C C 65 173.778 173.778 174.583 -0.805 19087 784 1 2 . 1 1 65 65 ASP CA C 65 54.287 54.287 52.682 1.605 19087 785 1 2 . 1 1 65 65 ASP CB C 65 44.018 44.018 44.335 -0.317 19087 786 1 2 . 1 1 66 66 VAL N N 66 121.705 121.705 116.716 4.989 19087 787 1 2 . 1 1 66 66 VAL HA H 66 4.863 4.863 4.953 -0.090 19087 788 1 2 . 1 1 66 66 VAL C C 66 176.234 176.234 174.862 1.372 19087 789 1 2 . 1 1 66 66 VAL CA C 66 60.597 60.597 59.307 1.290 19087 790 1 2 . 1 1 66 66 VAL CB C 66 34.120 34.120 35.631 -1.511 19087 791 1 2 . 1 1 66 66 VAL H H 66 7.849 7.849 8.231 -0.382 19087 792 1 2 . 1 1 67 67 GLY N N 67 112.050 112.050 108.262 3.788 19087 793 1 2 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.272 0.346 19087 794 1 2 . 1 1 67 67 GLY H H 67 8.151 8.151 8.175 -0.024 19087 795 1 2 . 1 1 68 68 ASN C C 68 173.771 173.771 173.934 -0.163 19087 796 1 2 . 1 1 68 68 ASN CA C 68 53.062 53.062 52.888 0.174 19087 797 1 2 . 1 1 68 68 ASN CB C 68 39.832 39.832 41.015 -1.183 19087 798 1 2 . 1 1 69 69 LEU N N 69 121.003 121.003 123.967 -2.964 19087 799 1 2 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.661 -0.124 19087 800 1 2 . 1 1 69 69 LEU C C 69 174.751 174.751 176.189 -1.438 19087 801 1 2 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.367 -0.442 19087 802 1 2 . 1 1 69 69 LEU CB C 69 47.313 47.313 46.824 0.489 19087 803 1 2 . 1 1 69 69 LEU H H 69 8.276 8.276 8.535 -0.259 19087 804 1 2 . 1 1 70 70 SER N N 70 116.269 116.269 119.025 -2.756 19087 805 1 2 . 1 1 70 70 SER C C 70 173.777 173.777 173.984 -0.207 19087 806 1 2 . 1 1 70 70 SER CA C 70 56.923 56.923 58.503 -1.580 19087 807 1 2 . 1 1 70 70 SER CB C 70 63.219 63.219 62.631 0.588 19087 808 1 2 . 1 1 70 70 SER H H 70 8.122 8.122 8.620 -0.498 19087 809 1 2 . 1 1 71 71 LEU N N 71 127.999 127.999 127.657 0.342 19087 810 1 2 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.649 0.107 19087 811 1 2 . 1 1 71 71 LEU CA C 71 52.165 52.165 52.510 -0.345 19087 812 1 2 . 1 1 71 71 LEU CB C 71 44.179 44.179 42.078 2.101 19087 813 1 2 . 1 1 71 71 LEU H H 71 8.293 8.293 7.923 0.370 19087 814 1 2 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.421 -0.061 19087 815 1 2 . 1 1 72 72 PRO C C 72 176.922 176.922 176.268 0.654 19087 816 1 2 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.069 0.175 19087 817 1 2 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.866 0.600 19087 818 1 2 . 1 1 73 73 ASP N N 73 115.106 115.106 116.148 -1.042 19087 819 1 2 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.471 0.087 19087 820 1 2 . 1 1 73 73 ASP C C 73 175.809 175.809 175.699 0.110 19087 821 1 2 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.470 0.675 19087 822 1 2 . 1 1 73 73 ASP CB C 73 40.778 40.778 41.170 -0.392 19087 823 1 2 . 1 1 73 73 ASP H H 73 8.431 8.431 8.345 0.086 19087 824 1 2 . 1 1 74 74 VAL N N 74 122.218 122.218 118.993 3.225 19087 825 1 2 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.211 -0.245 19087 826 1 2 . 1 1 74 74 VAL C C 74 175.339 175.339 173.785 1.554 19087 827 1 2 . 1 1 74 74 VAL CA C 74 63.871 63.871 61.709 2.162 19087 828 1 2 . 1 1 74 74 VAL CB C 74 32.075 32.075 34.584 -2.509 19087 829 1 2 . 1 1 74 74 VAL H H 74 7.468 7.468 7.221 0.247 19087 830 1 2 . 1 1 75 75 ALA N N 75 128.630 128.630 129.063 -0.433 19087 831 1 2 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.567 -0.142 19087 832 1 2 . 1 1 75 75 ALA C C 75 176.404 176.404 175.781 0.623 19087 833 1 2 . 1 1 75 75 ALA CA C 75 52.427 52.427 51.813 0.613 19087 834 1 2 . 1 1 75 75 ALA CB C 75 20.471 20.471 18.974 1.497 19087 835 1 2 . 1 1 75 75 ALA H H 75 8.581 8.581 8.282 0.299 19087 836 1 2 . 1 1 76 76 ALA N N 76 120.481 120.481 121.568 -1.087 19087 837 1 2 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.649 0.008 19087 838 1 2 . 1 1 76 76 ALA C C 76 175.925 175.925 176.354 -0.429 19087 839 1 2 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.553 -0.558 19087 840 1 2 . 1 1 76 76 ALA CB C 76 22.365 22.365 21.161 1.204 19087 841 1 2 . 1 1 76 76 ALA H H 76 7.438 7.438 7.528 -0.090 19087 842 1 2 . 1 1 77 77 THR N N 77 121.464 121.464 117.303 4.161 19087 843 1 2 . 1 1 77 77 THR HA H 77 4.734 4.734 4.691 0.043 19087 844 1 2 . 1 1 77 77 THR C C 77 174.143 174.143 174.130 0.013 19087 845 1 2 . 1 1 77 77 THR CA C 77 63.914 63.914 62.030 1.884 19087 846 1 2 . 1 1 77 77 THR CB C 77 70.070 70.070 68.319 1.751 19087 847 1 2 . 1 1 77 77 THR H H 77 8.390 8.390 8.476 -0.086 19087 848 1 2 . 1 1 78 78 THR N N 78 123.538 123.538 124.233 -0.695 19087 849 1 2 . 1 1 78 78 THR HA H 78 4.644 4.644 4.682 -0.038 19087 850 1 2 . 1 1 78 78 THR C C 78 181.684 181.684 172.283 9.401 19087 851 1 2 . 1 1 78 78 THR CA C 78 62.511 62.511 61.440 1.071 19087 852 1 2 . 1 1 78 78 THR CB C 78 72.846 72.846 72.500 0.346 19087 853 1 2 . 1 1 78 78 THR H H 78 8.355 8.355 8.617 -0.262 19087 854 1 2 . 1 1 79 79 VAL N N 79 126.455 126.455 124.478 1.977 19087 855 1 2 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.106 0.490 19087 856 1 2 . 1 1 79 79 VAL C C 79 173.702 173.702 174.481 -0.779 19087 857 1 2 . 1 1 79 79 VAL CA C 79 60.385 60.385 62.211 -1.826 19087 858 1 2 . 1 1 79 79 VAL CB C 79 33.089 33.089 31.471 1.619 19087 859 1 2 . 1 1 79 79 VAL H H 79 8.685 8.685 8.752 -0.067 19087 860 1 2 . 1 1 80 80 TYR N N 80 123.574 123.574 128.090 -4.516 19087 861 1 2 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.516 0.884 19087 862 1 2 . 1 1 80 80 TYR C C 80 176.410 176.410 175.742 0.668 19087 863 1 2 . 1 1 80 80 TYR CA C 80 56.608 56.608 56.109 0.499 19087 864 1 2 . 1 1 80 80 TYR CB C 80 42.567 42.567 40.562 2.005 19087 865 1 2 . 1 1 80 80 TYR H H 80 9.702 9.702 8.850 0.852 19087 866 1 2 . 1 1 81 81 TYR N N 81 117.754 117.754 117.231 0.523 19087 867 1 2 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.235 0.239 19087 868 1 2 . 1 1 81 81 TYR C C 81 173.237 173.237 174.635 -1.398 19087 869 1 2 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.109 0.389 19087 870 1 2 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.562 1.687 19087 871 1 2 . 1 1 81 81 TYR H H 81 8.221 8.221 8.338 -0.117 19087 872 1 2 . 1 1 82 82 THR N N 82 111.056 111.056 117.073 -6.017 19087 873 1 2 . 1 1 82 82 THR HA H 82 4.724 4.724 4.497 0.227 19087 874 1 2 . 1 1 82 82 THR C C 82 174.521 174.521 174.989 -0.468 19087 875 1 2 . 1 1 82 82 THR CA C 82 60.896 60.896 60.976 -0.080 19087 876 1 2 . 1 1 82 82 THR CB C 82 71.506 71.506 70.184 1.322 19087 877 1 2 . 1 1 82 82 THR H H 82 8.245 8.245 7.991 0.254 19087 878 1 2 . 1 1 83 83 GLU N N 83 117.058 117.058 124.706 -7.648 19087 879 1 2 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.384 0.093 19087 880 1 2 . 1 1 83 83 GLU C C 83 176.152 176.152 176.390 -0.238 19087 881 1 2 . 1 1 83 83 GLU CA C 83 57.179 57.179 55.849 1.330 19087 882 1 2 . 1 1 83 83 GLU CB C 83 28.714 28.714 28.569 0.145 19087 883 1 2 . 1 1 83 83 GLU H H 83 8.772 8.772 8.819 -0.047 19087 884 1 2 . 1 1 84 84 VAL N N 84 123.039 123.039 122.735 0.304 19087 885 1 2 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.827 0.067 19087 886 1 2 . 1 1 84 84 VAL C C 84 177.170 177.170 175.636 1.534 19087 887 1 2 . 1 1 84 84 VAL CA C 84 63.678 63.678 63.727 -0.049 19087 888 1 2 . 1 1 84 84 VAL CB C 84 32.474 32.474 29.555 2.919 19087 889 1 2 . 1 1 84 84 VAL H H 84 7.818 7.818 7.923 -0.105 19087 890 1 2 . 1 1 85 85 GLU N N 85 129.351 129.351 124.350 5.001 19087 891 1 2 . 1 1 85 85 GLU HA H 85 3.892 3.892 4.019 -0.127 19087 892 1 2 . 1 1 85 85 GLU CA C 85 59.005 59.005 57.025 1.980 19087 893 1 2 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.183 1.340 19087 894 1 2 . 1 1 85 85 GLU H H 85 8.796 8.796 8.795 0.001 19087 895 1 2 . 1 1 86 86 GLY C C 86 176.321 176.321 175.426 0.895 19087 896 1 2 . 1 1 86 86 GLY CA C 86 45.876 45.876 44.822 1.054 19087 897 1 2 . 1 1 87 87 GLU N N 87 121.773 121.773 120.955 0.818 19087 898 1 2 . 1 1 87 87 GLU HA H 87 3.948 3.948 3.914 0.034 19087 899 1 2 . 1 1 87 87 GLU C C 87 178.276 178.276 177.883 0.393 19087 900 1 2 . 1 1 87 87 GLU CA C 87 61.762 61.762 59.019 2.743 19087 901 1 2 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.440 0.656 19087 902 1 2 . 1 1 87 87 GLU H H 87 8.133 8.133 8.283 -0.150 19087 903 1 2 . 1 1 88 88 ARG N N 88 121.466 121.466 118.198 3.268 19087 904 1 2 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.476 -0.114 19087 905 1 2 . 1 1 88 88 ARG C C 88 177.229 177.229 177.539 -0.310 19087 906 1 2 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.210 1.283 19087 907 1 2 . 1 1 88 88 ARG CB C 88 29.059 29.059 27.671 1.388 19087 908 1 2 . 1 1 88 88 ARG H H 88 9.132 9.132 8.198 0.934 19087 909 1 2 . 1 1 89 89 ALA N N 89 119.527 119.527 121.356 -1.829 19087 910 1 2 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.017 0.166 19087 911 1 2 . 1 1 89 89 ALA C C 89 181.949 181.949 179.394 2.555 19087 912 1 2 . 1 1 89 89 ALA CA C 89 55.282 55.282 55.095 0.187 19087 913 1 2 . 1 1 89 89 ALA CB C 89 18.128 18.128 17.819 0.309 19087 914 1 2 . 1 1 89 89 ALA H H 89 8.388 8.388 7.646 0.742 19087 915 1 2 . 1 1 90 90 THR N N 90 115.279 115.279 113.303 1.976 19087 916 1 2 . 1 1 90 90 THR HA H 90 4.146 4.146 3.983 0.163 19087 917 1 2 . 1 1 90 90 THR C C 90 175.118 175.118 176.316 -1.198 19087 918 1 2 . 1 1 90 90 THR CA C 90 66.607 66.607 64.509 2.098 19087 919 1 2 . 1 1 90 90 THR CB C 90 68.971 68.971 68.376 0.595 19087 920 1 2 . 1 1 90 90 THR H H 90 7.640 7.640 7.588 0.052 19087 921 1 2 . 1 1 91 91 ALA N N 91 124.784 124.784 123.217 1.567 19087 922 1 2 . 1 1 91 91 ALA HA H 91 3.769 3.769 3.954 -0.185 19087 923 1 2 . 1 1 91 91 ALA C C 91 178.546 178.546 178.796 -0.250 19087 924 1 2 . 1 1 91 91 ALA CA C 91 55.552 55.552 55.122 0.430 19087 925 1 2 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.342 0.911 19087 926 1 2 . 1 1 91 91 ALA H H 91 9.095 9.095 7.848 1.247 19087 927 1 2 . 1 1 92 92 ASP N N 92 118.310 118.310 119.505 -1.195 19087 928 1 2 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.256 0.161 19087 929 1 2 . 1 1 92 92 ASP C C 92 179.053 179.053 178.085 0.968 19087 930 1 2 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.525 0.117 19087 931 1 2 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.680 -0.251 19087 932 1 2 . 1 1 92 92 ASP H H 92 8.898 8.898 8.075 0.823 19087 933 1 2 . 1 1 93 93 ALA N N 93 122.980 122.980 121.532 1.448 19087 934 1 2 . 1 1 93 93 ALA HA H 93 4.274 4.274 3.975 0.299 19087 935 1 2 . 1 1 93 93 ALA C C 93 180.933 180.933 179.409 1.524 19087 936 1 2 . 1 1 93 93 ALA CA C 93 55.575 55.575 54.967 0.608 19087 937 1 2 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.552 -0.376 19087 938 1 2 . 1 1 93 93 ALA H H 93 7.424 7.424 7.284 0.140 19087 939 1 2 . 1 1 94 94 VAL N N 94 123.968 123.968 118.346 5.622 19087 940 1 2 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.583 -0.639 19087 941 1 2 . 1 1 94 94 VAL C C 94 178.269 178.269 178.213 0.056 19087 942 1 2 . 1 1 94 94 VAL CA C 94 66.399 66.399 66.684 -0.285 19087 943 1 2 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.420 -0.717 19087 944 1 2 . 1 1 94 94 VAL H H 94 8.808 8.808 7.416 1.392 19087 945 1 2 . 1 1 95 95 GLY N N 95 108.282 108.282 105.669 2.613 19087 946 1 2 . 1 1 95 95 GLY C C 95 176.440 176.440 175.786 0.654 19087 947 1 2 . 1 1 95 95 GLY CA C 95 47.919 47.919 46.884 1.035 19087 948 1 2 . 1 1 95 95 GLY H H 95 9.355 9.355 8.163 1.192 19087 949 1 2 . 1 1 96 96 ARG N N 96 120.852 120.852 120.766 0.086 19087 950 1 2 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.103 0.100 19087 951 1 2 . 1 1 96 96 ARG C C 96 179.101 179.101 178.121 0.980 19087 952 1 2 . 1 1 96 96 ARG CA C 96 59.210 59.210 59.103 0.107 19087 953 1 2 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.309 0.225 19087 954 1 2 . 1 1 96 96 ARG H H 96 8.112 8.112 7.752 0.360 19087 955 1 2 . 1 1 97 97 THR N N 97 117.170 117.170 114.508 2.662 19087 956 1 2 . 1 1 97 97 THR HA H 97 3.986 3.986 4.147 -0.161 19087 957 1 2 . 1 1 97 97 THR C C 97 175.451 175.451 175.921 -0.470 19087 958 1 2 . 1 1 97 97 THR CA C 97 66.867 66.867 65.153 1.714 19087 959 1 2 . 1 1 97 97 THR CB C 97 68.205 68.205 68.974 -0.769 19087 960 1 2 . 1 1 97 97 THR H H 97 7.854 7.854 7.629 0.225 19087 961 1 2 . 1 1 98 98 LEU N N 98 115.294 115.294 120.763 -5.469 19087 962 1 2 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.425 -0.120 19087 963 1 2 . 1 1 98 98 LEU C C 98 177.537 177.537 177.339 0.198 19087 964 1 2 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.910 -1.327 19087 965 1 2 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.771 0.602 19087 966 1 2 . 1 1 98 98 LEU H H 98 7.855 7.855 7.995 -0.140 19087 967 1 2 . 1 1 99 99 GLY N N 99 111.931 111.931 108.143 3.788 19087 968 1 2 . 1 1 99 99 GLY C C 99 173.997 173.997 173.541 0.456 19087 969 1 2 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.367 1.626 19087 970 1 2 . 1 1 99 99 GLY H H 99 8.101 8.101 7.745 0.356 19087 971 1 2 . 1 1 100 100 ALA N N 100 121.739 121.739 121.381 0.358 19087 972 1 2 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.612 0.125 19087 973 1 2 . 1 1 100 100 ALA C C 100 175.351 175.351 175.270 0.081 19087 974 1 2 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.777 -0.371 19087 975 1 2 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.951 2.008 19087 976 1 2 . 1 1 100 100 ALA H H 100 8.033 8.033 7.731 0.302 19087 977 1 2 . 1 1 101 101 ALA N N 101 122.895 122.895 122.002 0.893 19087 978 1 2 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.539 -0.330 19087 979 1 2 . 1 1 101 101 ALA C C 101 175.179 175.179 176.174 -0.995 19087 980 1 2 . 1 1 101 101 ALA CA C 101 52.737 52.737 51.868 0.869 19087 981 1 2 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.454 0.360 19087 982 1 2 . 1 1 101 101 ALA H H 101 7.782 7.782 8.695 -0.913 19087 983 1 2 . 1 1 102 102 VAL N N 102 120.035 120.035 118.139 1.896 19087 984 1 2 . 1 1 102 102 VAL HA H 102 5.054 5.054 5.253 -0.199 19087 985 1 2 . 1 1 102 102 VAL C C 102 176.587 176.587 175.521 1.066 19087 986 1 2 . 1 1 102 102 VAL CA C 102 60.988 60.988 60.499 0.488 19087 987 1 2 . 1 1 102 102 VAL CB C 102 33.725 33.725 33.401 0.324 19087 988 1 2 . 1 1 102 102 VAL H H 102 7.872 7.872 8.248 -0.376 19087 989 1 2 . 1 1 103 103 GLU N N 103 126.469 126.469 124.586 1.883 19087 990 1 2 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.533 0.346 19087 991 1 2 . 1 1 103 103 GLU C C 103 174.343 174.343 174.141 0.202 19087 992 1 2 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.230 0.121 19087 993 1 2 . 1 1 103 103 GLU CB C 103 35.595 35.595 34.225 1.370 19087 994 1 2 . 1 1 103 103 GLU H H 103 9.215 9.215 8.627 0.588 19087 995 1 2 . 1 1 104 104 LEU N N 104 123.109 123.109 121.797 1.312 19087 996 1 2 . 1 1 104 104 LEU HA H 104 3.591 3.591 3.708 -0.117 19087 997 1 2 . 1 1 104 104 LEU C C 104 178.379 178.379 177.362 1.017 19087 998 1 2 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.452 -0.532 19087 999 1 2 . 1 1 104 104 LEU CB C 104 42.910 42.910 43.130 -0.220 19087 1000 1 2 . 1 1 104 104 LEU H H 104 8.273 8.273 8.296 -0.023 19087 1001 1 2 . 1 1 105 105 ARG N N 105 119.790 119.790 121.905 -2.115 19087 1002 1 2 . 1 1 105 105 ARG HA H 105 4.261 4.261 3.969 0.292 19087 1003 1 2 . 1 1 105 105 ARG C C 105 177.043 177.043 175.842 1.201 19087 1004 1 2 . 1 1 105 105 ARG CA C 105 59.310 59.310 57.981 1.329 19087 1005 1 2 . 1 1 105 105 ARG CB C 105 32.077 32.077 30.098 1.979 19087 1006 1 2 . 1 1 105 105 ARG H H 105 8.300 8.300 8.155 0.145 19087 1007 1 2 . 1 1 106 106 LEU N N 106 122.431 122.431 114.227 8.204 19087 1008 1 2 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.027 0.371 19087 1009 1 2 . 1 1 106 106 LEU CA C 106 54.701 54.701 54.317 0.384 19087 1010 1 2 . 1 1 106 106 LEU CB C 106 42.469 42.469 40.760 1.709 19087 1011 1 2 . 1 1 106 106 LEU H H 106 8.026 8.026 7.750 0.276 19087 1012 1 2 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.223 0.016 19087 1013 1 2 . 1 1 107 107 PRO C C 107 179.627 179.627 177.225 2.402 19087 1014 1 2 . 1 1 107 107 PRO CA C 107 65.898 65.898 65.350 0.548 19087 1015 1 2 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.745 -0.227 19087 1016 1 2 . 1 1 108 108 GLU N N 108 116.744 116.744 117.219 -0.475 19087 1017 1 2 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.125 -0.027 19087 1018 1 2 . 1 1 108 108 GLU C C 108 176.957 176.957 178.869 -1.912 19087 1019 1 2 . 1 1 108 108 GLU CA C 108 59.584 59.584 58.496 1.088 19087 1020 1 2 . 1 1 108 108 GLU CB C 108 29.157 29.157 29.278 -0.121 19087 1021 1 2 . 1 1 108 108 GLU H H 108 9.605 9.605 8.220 1.385 19087 1022 1 2 . 1 1 109 109 LEU N N 109 116.575 116.575 118.871 -2.296 19087 1023 1 2 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.195 0.335 19087 1024 1 2 . 1 1 109 109 LEU C C 109 177.894 177.894 178.844 -0.950 19087 1025 1 2 . 1 1 109 109 LEU CA C 109 53.489 53.489 55.836 -2.347 19087 1026 1 2 . 1 1 109 109 LEU CB C 109 42.241 42.241 40.557 1.684 19087 1027 1 2 . 1 1 109 109 LEU H H 109 7.630 7.630 7.494 0.136 19087 1028 1 2 . 1 1 110 110 SER N N 110 117.031 117.031 113.544 3.487 19087 1029 1 2 . 1 1 110 110 SER HA H 110 3.943 3.943 4.274 -0.331 19087 1030 1 2 . 1 1 110 110 SER C C 110 174.273 174.273 174.957 -0.684 19087 1031 1 2 . 1 1 110 110 SER CA C 110 59.543 59.543 60.062 -0.519 19087 1032 1 2 . 1 1 110 110 SER CB C 110 63.609 63.609 63.165 0.444 19087 1033 1 2 . 1 1 110 110 SER H H 110 7.757 7.757 7.783 -0.026 19087 1034 1 2 . 1 1 111 111 ASP N N 111 117.804 117.804 119.798 -1.994 19087 1035 1 2 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.605 -0.023 19087 1036 1 2 . 1 1 111 111 ASP C C 111 176.760 176.760 175.940 0.820 19087 1037 1 2 . 1 1 111 111 ASP CA C 111 53.976 53.976 55.415 -1.439 19087 1038 1 2 . 1 1 111 111 ASP CB C 111 40.183 40.183 41.653 -1.470 19087 1039 1 2 . 1 1 111 111 ASP H H 111 8.315 8.315 7.678 0.637 19087 1040 1 2 . 1 1 112 112 GLN N N 112 119.300 119.300 119.000 0.300 19087 1041 1 2 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.479 -0.179 19087 1042 1 2 . 1 1 112 112 GLN CA C 112 55.014 55.014 53.268 1.746 19087 1043 1 2 . 1 1 112 112 GLN CB C 112 26.568 26.568 27.424 -0.856 19087 1044 1 2 . 1 1 112 112 GLN H H 112 7.212 7.212 7.219 -0.007 19087 1045 1 2 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.205 0.322 19087 1046 1 2 . 1 1 114 114 PRO C C 114 175.464 175.464 176.583 -1.119 19087 1047 1 2 . 1 1 114 114 PRO CA C 114 64.069 64.069 62.812 1.257 19087 1048 1 2 . 1 1 114 114 PRO CB C 114 32.447 32.447 33.125 -0.678 19087 1049 1 2 . 1 1 115 115 GLY N N 115 113.817 113.817 106.158 7.659 19087 1050 1 2 . 1 1 115 115 GLY C C 115 173.552 173.552 173.588 -0.036 19087 1051 1 2 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.497 -0.544 19087 1052 1 2 . 1 1 115 115 GLY H H 115 8.443 8.443 7.975 0.468 19087 1053 1 2 . 1 1 116 116 VAL N N 116 122.049 122.049 123.414 -1.365 19087 1054 1 2 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.540 -0.409 19087 1055 1 2 . 1 1 116 116 VAL C C 116 174.533 174.533 175.808 -1.275 19087 1056 1 2 . 1 1 116 116 VAL CA C 116 63.916 63.916 63.532 0.384 19087 1057 1 2 . 1 1 116 116 VAL CB C 116 32.342 32.342 31.697 0.645 19087 1058 1 2 . 1 1 116 116 VAL H H 116 8.957 8.957 8.251 0.706 19087 1059 1 2 . 1 1 117 117 ILE N N 117 126.102 126.102 126.396 -0.294 19087 1060 1 2 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.307 -0.368 19087 1061 1 2 . 1 1 117 117 ILE C C 117 174.181 174.181 174.520 -0.339 19087 1062 1 2 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.048 2.021 19087 1063 1 2 . 1 1 117 117 ILE CB C 117 42.368 42.368 38.288 4.080 19087 1064 1 2 . 1 1 117 117 ILE H H 117 7.863 7.863 8.764 -0.901 19087 1065 1 2 . 1 1 118 118 VAL N N 118 127.665 127.665 129.200 -1.535 19087 1066 1 2 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.583 0.341 19087 1067 1 2 . 1 1 118 118 VAL C C 118 175.224 175.224 174.061 1.163 19087 1068 1 2 . 1 1 118 118 VAL CA C 118 60.580 60.580 60.683 -0.103 19087 1069 1 2 . 1 1 118 118 VAL CB C 118 33.945 33.945 32.850 1.095 19087 1070 1 2 . 1 1 118 118 VAL H H 118 9.348 9.348 8.685 0.663 19087 1071 1 2 . 1 1 119 119 VAL N N 119 121.828 121.828 130.722 -8.894 19087 1072 1 2 . 1 1 119 119 VAL HA H 119 5.563 5.563 5.356 0.207 19087 1073 1 2 . 1 1 119 119 VAL C C 119 174.425 174.425 173.864 0.561 19087 1074 1 2 . 1 1 119 119 VAL CA C 119 58.691 58.691 59.718 -1.027 19087 1075 1 2 . 1 1 119 119 VAL CB C 119 32.886 32.886 33.601 -0.715 19087 1076 1 2 . 1 1 119 119 VAL H H 119 9.096 9.096 8.644 0.452 19087 1077 1 2 . 1 1 120 120 VAL N N 120 120.260 120.260 128.977 -8.717 19087 1078 1 2 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.448 0.370 19087 1079 1 2 . 1 1 120 120 VAL C C 120 175.649 175.649 175.097 0.552 19087 1080 1 2 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.391 0.240 19087 1081 1 2 . 1 1 120 120 VAL CB C 120 34.550 34.550 33.860 0.690 19087 1082 1 2 . 1 1 120 120 VAL H H 120 8.809 8.809 8.372 0.437 19087 1083 1 2 . 1 1 121 121 THR N N 121 114.564 114.564 121.933 -7.369 19087 1084 1 2 . 1 1 121 121 THR HA H 121 4.428 4.428 4.599 -0.171 19087 1085 1 2 . 1 1 121 121 THR C C 121 173.833 173.833 173.042 0.791 19087 1086 1 2 . 1 1 121 121 THR CA C 121 60.834 60.834 59.773 1.061 19087 1087 1 2 . 1 1 121 121 THR CB C 121 69.413 69.413 70.800 -1.387 19087 1088 1 2 . 1 1 121 121 THR H H 121 7.859 7.859 8.412 -0.553 19087 1089 1 3 . 1 1 6 6 SER C C 6 174.665 174.665 175.103 -0.438 19087 1090 1 3 . 1 1 6 6 SER CA C 6 58.745 58.745 58.162 0.583 19087 1091 1 3 . 1 1 6 6 SER CB C 6 63.870 63.870 64.170 -0.300 19087 1092 1 3 . 1 1 7 7 GLU N N 7 122.278 122.278 123.119 -0.841 19087 1093 1 3 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.037 0.691 19087 1094 1 3 . 1 1 7 7 GLU C C 7 176.279 176.279 177.178 -0.899 19087 1095 1 3 . 1 1 7 7 GLU CA C 7 56.894 56.894 58.111 -1.217 19087 1096 1 3 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.689 0.520 19087 1097 1 3 . 1 1 7 7 GLU H H 7 8.475 8.475 8.775 -0.300 19087 1098 1 3 . 1 1 8 8 ASP N N 8 120.753 120.753 119.442 1.311 19087 1099 1 3 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.508 0.201 19087 1100 1 3 . 1 1 8 8 ASP C C 8 176.070 176.070 176.381 -0.311 19087 1101 1 3 . 1 1 8 8 ASP CA C 8 54.366 54.366 54.972 -0.606 19087 1102 1 3 . 1 1 8 8 ASP CB C 8 41.459 41.459 40.826 0.633 19087 1103 1 3 . 1 1 8 8 ASP H H 8 8.206 8.206 8.055 0.151 19087 1104 1 3 . 1 1 9 9 ASP N N 9 121.430 121.430 118.625 2.805 19087 1105 1 3 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.449 0.254 19087 1106 1 3 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.515 -0.071 19087 1107 1 3 . 1 1 9 9 ASP CB C 9 41.220 41.220 41.521 -0.301 19087 1108 1 3 . 1 1 9 9 ASP H H 9 8.256 8.256 8.167 0.089 19087 1109 1 3 . 1 1 11 11 SER C C 11 174.517 174.517 173.982 0.535 19087 1110 1 3 . 1 1 11 11 SER CA C 11 59.364 59.364 58.757 0.607 19087 1111 1 3 . 1 1 11 11 SER CB C 11 63.989 63.989 63.309 0.680 19087 1112 1 3 . 1 1 12 12 ALA N N 12 125.500 125.500 130.578 -5.078 19087 1113 1 3 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.722 -0.366 19087 1114 1 3 . 1 1 12 12 ALA C C 12 177.811 177.811 175.899 1.912 19087 1115 1 3 . 1 1 12 12 ALA CA C 12 52.815 52.815 52.106 0.709 19087 1116 1 3 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.209 -1.005 19087 1117 1 3 . 1 1 12 12 ALA H H 12 8.087 8.087 8.467 -0.380 19087 1118 1 3 . 1 1 13 13 ILE N N 13 119.045 119.045 119.502 -0.457 19087 1119 1 3 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.769 -0.576 19087 1120 1 3 . 1 1 13 13 ILE CA C 13 61.163 61.163 59.981 1.182 19087 1121 1 3 . 1 1 13 13 ILE CB C 13 38.721 38.721 40.142 -1.421 19087 1122 1 3 . 1 1 13 13 ILE H H 13 7.938 7.938 8.230 -0.292 19087 1123 1 3 . 1 1 14 14 SER N N 14 119.662 119.662 118.649 1.013 19087 1124 1 3 . 1 1 14 14 SER H H 14 8.339 8.339 8.916 -0.577 19087 1125 1 3 . 1 1 21 21 ALA HA H 21 4.286 4.286 5.090 -0.804 19087 1126 1 3 . 1 1 21 21 ALA C C 21 177.013 177.013 175.323 1.690 19087 1127 1 3 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.505 0.080 19087 1128 1 3 . 1 1 21 21 ALA CB C 21 19.339 19.339 21.140 -1.800 19087 1129 1 3 . 1 1 22 22 ALA N N 22 124.579 124.579 125.055 -0.476 19087 1130 1 3 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.642 0.083 19087 1131 1 3 . 1 1 22 22 ALA CA C 22 50.310 50.310 50.734 -0.424 19087 1132 1 3 . 1 1 22 22 ALA CB C 22 18.232 18.232 19.208 -0.976 19087 1133 1 3 . 1 1 22 22 ALA H H 22 8.182 8.182 8.224 -0.042 19087 1134 1 3 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.282 -0.147 19087 1135 1 3 . 1 1 28 28 VAL C C 28 175.779 175.779 175.573 0.206 19087 1136 1 3 . 1 1 28 28 VAL CA C 28 62.167 62.167 62.350 -0.183 19087 1137 1 3 . 1 1 28 28 VAL CB C 28 32.681 32.681 32.775 -0.094 19087 1138 1 3 . 1 1 29 29 LYS N N 29 126.858 126.858 126.158 0.700 19087 1139 1 3 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.773 -0.061 19087 1140 1 3 . 1 1 29 29 LYS CA C 29 54.135 54.135 54.080 0.055 19087 1141 1 3 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.978 -0.333 19087 1142 1 3 . 1 1 29 29 LYS H H 29 8.346 8.346 8.416 -0.070 19087 1143 1 3 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.437 -0.035 19087 1144 1 3 . 1 1 30 30 PRO C C 30 176.435 176.435 176.003 0.432 19087 1145 1 3 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.655 0.121 19087 1146 1 3 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.227 -0.073 19087 1147 1 3 . 1 1 31 31 ALA N N 31 124.680 124.680 123.004 1.676 19087 1148 1 3 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.265 0.082 19087 1149 1 3 . 1 1 31 31 ALA C C 31 176.860 176.860 176.872 -0.012 19087 1150 1 3 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.818 0.498 19087 1151 1 3 . 1 1 31 31 ALA CB C 31 19.398 19.398 19.224 0.174 19087 1152 1 3 . 1 1 31 31 ALA H H 31 8.324 8.324 8.168 0.157 19087 1153 1 3 . 1 1 32 32 ALA N N 32 125.011 125.011 123.603 1.408 19087 1154 1 3 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.588 0.148 19087 1155 1 3 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.950 -0.463 19087 1156 1 3 . 1 1 32 32 ALA CB C 32 18.203 18.203 18.085 0.118 19087 1157 1 3 . 1 1 32 32 ALA H H 32 8.246 8.246 8.204 0.042 19087 1158 1 3 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.419 0.047 19087 1159 1 3 . 1 1 33 33 PRO C C 33 176.834 176.834 176.284 0.550 19087 1160 1 3 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.322 0.503 19087 1161 1 3 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.667 -0.672 19087 1162 1 3 . 1 1 34 34 ARG N N 34 121.170 121.170 120.254 0.916 19087 1163 1 3 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.477 -0.091 19087 1164 1 3 . 1 1 34 34 ARG C C 34 175.853 175.853 174.929 0.924 19087 1165 1 3 . 1 1 34 34 ARG CA C 34 55.912 55.912 55.966 -0.054 19087 1166 1 3 . 1 1 34 34 ARG CB C 34 31.672 31.672 32.278 -0.606 19087 1167 1 3 . 1 1 34 34 ARG H H 34 8.349 8.349 8.474 -0.125 19087 1168 1 3 . 1 1 35 35 ALA N N 35 124.878 124.878 123.008 1.870 19087 1169 1 3 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.806 -0.194 19087 1170 1 3 . 1 1 35 35 ALA C C 35 176.170 176.170 175.601 0.569 19087 1171 1 3 . 1 1 35 35 ALA CA C 35 51.566 51.566 52.042 -0.476 19087 1172 1 3 . 1 1 35 35 ALA CB C 35 20.722 20.722 19.955 0.767 19087 1173 1 3 . 1 1 35 35 ALA H H 35 8.008 8.008 8.258 -0.250 19087 1174 1 3 . 1 1 36 36 GLU N N 36 119.776 119.776 123.473 -3.697 19087 1175 1 3 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.492 -0.061 19087 1176 1 3 . 1 1 36 36 GLU C C 36 174.618 174.618 174.823 -0.205 19087 1177 1 3 . 1 1 36 36 GLU CA C 36 56.472 56.472 55.941 0.531 19087 1178 1 3 . 1 1 36 36 GLU CB C 36 31.124 31.124 29.217 1.907 19087 1179 1 3 . 1 1 36 36 GLU H H 36 8.495 8.495 8.826 -0.331 19087 1180 1 3 . 1 1 37 37 VAL N N 37 119.808 119.808 123.171 -3.363 19087 1181 1 3 . 1 1 37 37 VAL HA H 37 4.902 4.902 5.039 -0.137 19087 1182 1 3 . 1 1 37 37 VAL C C 37 174.285 174.285 175.141 -0.856 19087 1183 1 3 . 1 1 37 37 VAL CA C 37 60.639 60.639 60.467 0.172 19087 1184 1 3 . 1 1 37 37 VAL CB C 37 34.612 34.612 34.604 0.008 19087 1185 1 3 . 1 1 37 37 VAL H H 37 8.494 8.494 8.385 0.109 19087 1186 1 3 . 1 1 38 38 ARG N N 38 124.534 124.534 124.184 0.350 19087 1187 1 3 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.227 -0.301 19087 1188 1 3 . 1 1 38 38 ARG C C 38 174.239 174.239 174.194 0.045 19087 1189 1 3 . 1 1 38 38 ARG CA C 38 55.092 55.092 53.924 1.168 19087 1190 1 3 . 1 1 38 38 ARG CB C 38 34.190 34.190 33.540 0.650 19087 1191 1 3 . 1 1 38 38 ARG H H 38 8.652 8.652 8.841 -0.189 19087 1192 1 3 . 1 1 39 39 VAL N N 39 121.231 121.231 120.915 0.316 19087 1193 1 3 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.534 0.264 19087 1194 1 3 . 1 1 39 39 VAL C C 39 173.357 173.357 174.825 -1.468 19087 1195 1 3 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.977 -1.339 19087 1196 1 3 . 1 1 39 39 VAL CB C 39 34.294 34.294 33.103 1.191 19087 1197 1 3 . 1 1 39 39 VAL H H 39 7.934 7.934 8.383 -0.449 19087 1198 1 3 . 1 1 40 40 TYR N N 40 122.262 122.262 128.008 -5.746 19087 1199 1 3 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.292 -0.138 19087 1200 1 3 . 1 1 40 40 TYR C C 40 175.124 175.124 174.859 0.265 19087 1201 1 3 . 1 1 40 40 TYR CA C 40 55.540 55.540 56.522 -0.982 19087 1202 1 3 . 1 1 40 40 TYR CB C 40 42.223 42.223 39.607 2.616 19087 1203 1 3 . 1 1 40 40 TYR H H 40 9.343 9.343 8.849 0.494 19087 1204 1 3 . 1 1 41 41 ASN N N 41 121.684 121.684 123.664 -1.980 19087 1205 1 3 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.241 -0.209 19087 1206 1 3 . 1 1 41 41 ASN C C 41 176.301 176.301 175.570 0.731 19087 1207 1 3 . 1 1 41 41 ASN CA C 41 52.635 52.635 52.079 0.556 19087 1208 1 3 . 1 1 41 41 ASN CB C 41 39.836 39.836 39.486 0.350 19087 1209 1 3 . 1 1 41 41 ASN H H 41 9.287 9.287 8.485 0.802 19087 1210 1 3 . 1 1 42 42 ILE N N 42 119.462 119.462 127.574 -8.112 19087 1211 1 3 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.423 1.027 19087 1212 1 3 . 1 1 42 42 ILE C C 42 176.450 176.450 176.383 0.067 19087 1213 1 3 . 1 1 42 42 ILE CA C 42 60.513 60.513 63.539 -3.026 19087 1214 1 3 . 1 1 42 42 ILE CB C 42 38.597 38.597 38.699 -0.102 19087 1215 1 3 . 1 1 42 42 ILE H H 42 8.541 8.541 8.397 0.144 19087 1216 1 3 . 1 1 43 43 SER N N 43 118.212 118.212 113.330 4.882 19087 1217 1 3 . 1 1 43 43 SER HA H 43 4.729 4.729 4.436 0.293 19087 1218 1 3 . 1 1 43 43 SER CA C 43 58.598 58.598 59.030 -0.432 19087 1219 1 3 . 1 1 43 43 SER CB C 43 66.262 66.262 64.113 2.149 19087 1220 1 3 . 1 1 43 43 SER H H 43 8.142 8.142 7.909 0.233 19087 1221 1 3 . 1 1 44 44 GLY C C 44 174.414 174.414 174.607 -0.193 19087 1222 1 3 . 1 1 44 44 GLY CA C 44 45.379 45.379 46.157 -0.778 19087 1223 1 3 . 1 1 45 45 THR N N 45 116.371 116.371 112.769 3.602 19087 1224 1 3 . 1 1 45 45 THR HA H 45 4.384 4.384 4.328 0.056 19087 1225 1 3 . 1 1 45 45 THR CA C 45 61.814 61.814 62.640 -0.826 19087 1226 1 3 . 1 1 45 45 THR CB C 45 69.787 69.787 70.898 -1.111 19087 1227 1 3 . 1 1 45 45 THR H H 45 8.298 8.298 7.937 0.361 19087 1228 1 3 . 1 1 47 47 GLY C C 47 175.691 175.691 174.965 0.726 19087 1229 1 3 . 1 1 47 47 GLY CA C 47 46.191 46.191 46.106 0.085 19087 1230 1 3 . 1 1 48 48 ALA N N 48 121.957 121.957 124.495 -2.538 19087 1231 1 3 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.134 -0.105 19087 1232 1 3 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.429 0.973 19087 1233 1 3 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.535 -0.043 19087 1234 1 3 . 1 1 48 48 ALA H H 48 7.511 7.511 8.145 -0.634 19087 1235 1 3 . 1 1 49 49 ALA HA H 49 3.984 3.984 4.025 -0.041 19087 1236 1 3 . 1 1 49 49 ALA C C 49 178.073 178.073 179.709 -1.636 19087 1237 1 3 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.997 -0.136 19087 1238 1 3 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.227 0.462 19087 1239 1 3 . 1 1 50 50 ALA N N 50 122.654 122.654 119.689 2.965 19087 1240 1 3 . 1 1 50 50 ALA HA H 50 3.989 3.989 4.000 -0.011 19087 1241 1 3 . 1 1 50 50 ALA C C 50 179.642 179.642 179.340 0.302 19087 1242 1 3 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.572 1.279 19087 1243 1 3 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.030 -0.242 19087 1244 1 3 . 1 1 50 50 ALA H H 50 7.965 7.965 7.629 0.336 19087 1245 1 3 . 1 1 51 51 ARG N N 51 116.659 116.659 118.643 -1.984 19087 1246 1 3 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.143 0.048 19087 1247 1 3 . 1 1 51 51 ARG C C 51 179.931 179.931 178.400 1.531 19087 1248 1 3 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.336 1.176 19087 1249 1 3 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.867 0.596 19087 1250 1 3 . 1 1 51 51 ARG H H 51 7.982 7.982 7.765 0.217 19087 1251 1 3 . 1 1 52 52 THR N N 52 117.745 117.745 113.563 4.182 19087 1252 1 3 . 1 1 52 52 THR HA H 52 4.162 4.162 4.074 0.088 19087 1253 1 3 . 1 1 52 52 THR C C 52 175.626 175.626 175.997 -0.371 19087 1254 1 3 . 1 1 52 52 THR CA C 52 68.565 68.565 66.159 2.406 19087 1255 1 3 . 1 1 52 52 THR CB C 52 70.787 70.787 68.067 2.720 19087 1256 1 3 . 1 1 52 52 THR H H 52 7.661 7.661 7.789 -0.128 19087 1257 1 3 . 1 1 53 53 ALA N N 53 123.939 123.939 122.595 1.344 19087 1258 1 3 . 1 1 53 53 ALA HA H 53 3.886 3.886 4.033 -0.147 19087 1259 1 3 . 1 1 53 53 ALA C C 53 179.013 179.013 178.941 0.072 19087 1260 1 3 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.201 1.996 19087 1261 1 3 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.056 0.661 19087 1262 1 3 . 1 1 53 53 ALA H H 53 8.805 8.805 7.970 0.835 19087 1263 1 3 . 1 1 54 54 ASP N N 54 118.351 118.351 119.464 -1.113 19087 1264 1 3 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.284 0.148 19087 1265 1 3 . 1 1 54 54 ASP C C 54 179.376 179.376 178.179 1.197 19087 1266 1 3 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.218 0.789 19087 1267 1 3 . 1 1 54 54 ASP CB C 54 40.242 40.242 41.054 -0.812 19087 1268 1 3 . 1 1 54 54 ASP H H 54 8.327 8.327 7.642 0.685 19087 1269 1 3 . 1 1 55 55 ARG N N 55 121.120 121.120 119.362 1.758 19087 1270 1 3 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.115 0.060 19087 1271 1 3 . 1 1 55 55 ARG C C 55 179.550 179.550 178.615 0.935 19087 1272 1 3 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.654 0.631 19087 1273 1 3 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.408 -0.088 19087 1274 1 3 . 1 1 55 55 ARG H H 55 7.723 7.723 7.922 -0.199 19087 1275 1 3 . 1 1 56 56 LEU N N 56 118.659 118.659 120.451 -1.792 19087 1276 1 3 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.088 0.244 19087 1277 1 3 . 1 1 56 56 LEU C C 56 179.305 179.305 178.008 1.297 19087 1278 1 3 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.463 -0.026 19087 1279 1 3 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.818 -0.531 19087 1280 1 3 . 1 1 56 56 LEU H H 56 8.215 8.215 8.088 0.127 19087 1281 1 3 . 1 1 57 57 LYS N N 57 122.713 122.713 118.919 3.794 19087 1282 1 3 . 1 1 57 57 LYS HA H 57 4.513 4.513 3.558 0.955 19087 1283 1 3 . 1 1 57 57 LYS C C 57 181.436 181.436 178.746 2.690 19087 1284 1 3 . 1 1 57 57 LYS CA C 57 60.004 60.004 58.801 1.203 19087 1285 1 3 . 1 1 57 57 LYS CB C 57 32.437 32.437 31.690 0.747 19087 1286 1 3 . 1 1 57 57 LYS H H 57 8.914 8.914 7.612 1.302 19087 1287 1 3 . 1 1 58 58 ALA N N 58 122.423 122.423 120.199 2.224 19087 1288 1 3 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.381 -0.171 19087 1289 1 3 . 1 1 58 58 ALA C C 58 178.516 178.516 178.815 -0.299 19087 1290 1 3 . 1 1 58 58 ALA CA C 58 55.069 55.069 53.979 1.090 19087 1291 1 3 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.481 -0.572 19087 1292 1 3 . 1 1 58 58 ALA H H 58 8.026 8.026 7.562 0.464 19087 1293 1 3 . 1 1 59 59 ALA N N 59 118.347 118.347 120.429 -2.082 19087 1294 1 3 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.346 0.140 19087 1295 1 3 . 1 1 59 59 ALA C C 59 176.797 176.797 177.925 -1.128 19087 1296 1 3 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.522 -0.764 19087 1297 1 3 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.613 -0.243 19087 1298 1 3 . 1 1 59 59 ALA H H 59 7.413 7.413 7.732 -0.319 19087 1299 1 3 . 1 1 60 60 GLY N N 60 104.918 104.918 107.007 -2.089 19087 1300 1 3 . 1 1 60 60 GLY C C 60 174.741 174.741 174.364 0.377 19087 1301 1 3 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.651 0.585 19087 1302 1 3 . 1 1 60 60 GLY H H 60 7.694 7.694 7.877 -0.183 19087 1303 1 3 . 1 1 61 61 PHE N N 61 118.862 118.862 118.599 0.263 19087 1304 1 3 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.601 -0.106 19087 1305 1 3 . 1 1 61 61 PHE C C 61 175.204 175.204 174.892 0.312 19087 1306 1 3 . 1 1 61 61 PHE CA C 61 58.483 58.483 57.010 1.474 19087 1307 1 3 . 1 1 61 61 PHE CB C 61 39.163 39.163 39.390 -0.227 19087 1308 1 3 . 1 1 61 61 PHE H H 61 7.879 7.879 8.025 -0.146 19087 1309 1 3 . 1 1 62 62 THR N N 62 121.319 121.319 115.566 5.753 19087 1310 1 3 . 1 1 62 62 THR HA H 62 4.303 4.303 4.142 0.161 19087 1311 1 3 . 1 1 62 62 THR C C 62 173.073 173.073 173.997 -0.924 19087 1312 1 3 . 1 1 62 62 THR CA C 62 69.389 69.389 62.874 6.515 19087 1313 1 3 . 1 1 62 62 THR CB C 62 62.478 62.478 70.622 -8.144 19087 1314 1 3 . 1 1 62 62 THR H H 62 9.493 9.493 8.400 1.093 19087 1315 1 3 . 1 1 63 63 VAL N N 63 128.406 128.406 122.625 5.781 19087 1316 1 3 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.527 0.133 19087 1317 1 3 . 1 1 63 63 VAL C C 63 177.267 177.267 174.141 3.126 19087 1318 1 3 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.100 -1.001 19087 1319 1 3 . 1 1 63 63 VAL CB C 63 32.572 32.572 34.535 -1.963 19087 1320 1 3 . 1 1 63 63 VAL H H 63 8.293 8.293 8.363 -0.070 19087 1321 1 3 . 1 1 64 64 THR N N 64 118.495 118.495 116.944 1.551 19087 1322 1 3 . 1 1 64 64 THR HA H 64 4.350 4.350 5.263 -0.913 19087 1323 1 3 . 1 1 64 64 THR CA C 64 62.182 62.182 60.249 1.933 19087 1324 1 3 . 1 1 64 64 THR CB C 64 69.143 69.143 70.609 -1.466 19087 1325 1 3 . 1 1 64 64 THR H H 64 8.770 8.770 8.499 0.271 19087 1326 1 3 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.907 -0.606 19087 1327 1 3 . 1 1 65 65 ASP C C 65 173.778 173.778 174.418 -0.640 19087 1328 1 3 . 1 1 65 65 ASP CA C 65 54.287 54.287 52.865 1.422 19087 1329 1 3 . 1 1 65 65 ASP CB C 65 44.018 44.018 44.336 -0.318 19087 1330 1 3 . 1 1 66 66 VAL N N 66 121.705 121.705 116.736 4.969 19087 1331 1 3 . 1 1 66 66 VAL HA H 66 4.863 4.863 4.907 -0.044 19087 1332 1 3 . 1 1 66 66 VAL C C 66 176.234 176.234 174.463 1.771 19087 1333 1 3 . 1 1 66 66 VAL CA C 66 60.597 60.597 59.829 0.768 19087 1334 1 3 . 1 1 66 66 VAL CB C 66 34.120 34.120 35.302 -1.182 19087 1335 1 3 . 1 1 66 66 VAL H H 66 7.849 7.849 8.327 -0.478 19087 1336 1 3 . 1 1 67 67 GLY N N 67 112.050 112.050 111.400 0.650 19087 1337 1 3 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.255 0.363 19087 1338 1 3 . 1 1 67 67 GLY H H 67 8.151 8.151 8.466 -0.315 19087 1339 1 3 . 1 1 68 68 ASN C C 68 173.771 173.771 174.111 -0.340 19087 1340 1 3 . 1 1 68 68 ASN CA C 68 53.062 53.062 52.273 0.789 19087 1341 1 3 . 1 1 68 68 ASN CB C 68 39.832 39.832 39.812 0.020 19087 1342 1 3 . 1 1 69 69 LEU N N 69 121.003 121.003 124.683 -3.680 19087 1343 1 3 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.632 -0.095 19087 1344 1 3 . 1 1 69 69 LEU C C 69 174.751 174.751 176.349 -1.598 19087 1345 1 3 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.545 -0.620 19087 1346 1 3 . 1 1 69 69 LEU CB C 69 47.313 47.313 46.894 0.419 19087 1347 1 3 . 1 1 69 69 LEU H H 69 8.276 8.276 8.368 -0.092 19087 1348 1 3 . 1 1 70 70 SER N N 70 116.269 116.269 119.041 -2.772 19087 1349 1 3 . 1 1 70 70 SER C C 70 173.777 173.777 174.109 -0.332 19087 1350 1 3 . 1 1 70 70 SER CA C 70 56.923 56.923 58.471 -1.548 19087 1351 1 3 . 1 1 70 70 SER CB C 70 63.219 63.219 62.713 0.506 19087 1352 1 3 . 1 1 70 70 SER H H 70 8.122 8.122 8.529 -0.407 19087 1353 1 3 . 1 1 71 71 LEU N N 71 127.999 127.999 127.528 0.471 19087 1354 1 3 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.683 0.073 19087 1355 1 3 . 1 1 71 71 LEU CA C 71 52.165 52.165 51.959 0.206 19087 1356 1 3 . 1 1 71 71 LEU CB C 71 44.179 44.179 42.055 2.124 19087 1357 1 3 . 1 1 71 71 LEU H H 71 8.293 8.293 7.953 0.340 19087 1358 1 3 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.401 -0.041 19087 1359 1 3 . 1 1 72 72 PRO C C 72 176.922 176.922 176.702 0.220 19087 1360 1 3 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.075 0.169 19087 1361 1 3 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.794 0.672 19087 1362 1 3 . 1 1 73 73 ASP N N 73 115.106 115.106 116.723 -1.617 19087 1363 1 3 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.501 0.057 19087 1364 1 3 . 1 1 73 73 ASP C C 73 175.809 175.809 175.779 0.030 19087 1365 1 3 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.152 0.993 19087 1366 1 3 . 1 1 73 73 ASP CB C 73 40.778 40.778 41.177 -0.399 19087 1367 1 3 . 1 1 73 73 ASP H H 73 8.431 8.431 8.491 -0.060 19087 1368 1 3 . 1 1 74 74 VAL N N 74 122.218 122.218 115.997 6.221 19087 1369 1 3 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.428 -0.462 19087 1370 1 3 . 1 1 74 74 VAL C C 74 175.339 175.339 174.432 0.907 19087 1371 1 3 . 1 1 74 74 VAL CA C 74 63.871 63.871 61.047 2.824 19087 1372 1 3 . 1 1 74 74 VAL CB C 74 32.075 32.075 33.360 -1.285 19087 1373 1 3 . 1 1 74 74 VAL H H 74 7.468 7.468 7.405 0.063 19087 1374 1 3 . 1 1 75 75 ALA N N 75 128.630 128.630 125.700 2.930 19087 1375 1 3 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.530 -0.105 19087 1376 1 3 . 1 1 75 75 ALA C C 75 176.404 176.404 176.275 0.129 19087 1377 1 3 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.195 0.232 19087 1378 1 3 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.707 0.764 19087 1379 1 3 . 1 1 75 75 ALA H H 75 8.581 8.581 8.511 0.070 19087 1380 1 3 . 1 1 76 76 ALA N N 76 120.481 120.481 122.035 -1.554 19087 1381 1 3 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.471 0.186 19087 1382 1 3 . 1 1 76 76 ALA C C 76 175.925 175.925 175.686 0.239 19087 1383 1 3 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.702 -0.707 19087 1384 1 3 . 1 1 76 76 ALA CB C 76 22.365 22.365 20.830 1.535 19087 1385 1 3 . 1 1 76 76 ALA H H 76 7.438 7.438 7.497 -0.059 19087 1386 1 3 . 1 1 77 77 THR N N 77 121.464 121.464 117.041 4.423 19087 1387 1 3 . 1 1 77 77 THR HA H 77 4.734 4.734 4.374 0.360 19087 1388 1 3 . 1 1 77 77 THR C C 77 174.143 174.143 174.018 0.125 19087 1389 1 3 . 1 1 77 77 THR CA C 77 63.914 63.914 62.576 1.338 19087 1390 1 3 . 1 1 77 77 THR CB C 77 70.070 70.070 68.675 1.395 19087 1391 1 3 . 1 1 77 77 THR H H 77 8.390 8.390 8.544 -0.154 19087 1392 1 3 . 1 1 78 78 THR N N 78 123.538 123.538 125.090 -1.552 19087 1393 1 3 . 1 1 78 78 THR HA H 78 4.644 4.644 4.921 -0.277 19087 1394 1 3 . 1 1 78 78 THR C C 78 181.684 181.684 172.843 8.841 19087 1395 1 3 . 1 1 78 78 THR CA C 78 62.511 62.511 61.377 1.134 19087 1396 1 3 . 1 1 78 78 THR CB C 78 72.846 72.846 72.137 0.709 19087 1397 1 3 . 1 1 78 78 THR H H 78 8.355 8.355 8.478 -0.123 19087 1398 1 3 . 1 1 79 79 VAL N N 79 126.455 126.455 125.974 0.481 19087 1399 1 3 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.469 0.127 19087 1400 1 3 . 1 1 79 79 VAL C C 79 173.702 173.702 174.635 -0.933 19087 1401 1 3 . 1 1 79 79 VAL CA C 79 60.385 60.385 61.711 -1.325 19087 1402 1 3 . 1 1 79 79 VAL CB C 79 33.089 33.089 32.228 0.861 19087 1403 1 3 . 1 1 79 79 VAL H H 79 8.685 8.685 8.671 0.014 19087 1404 1 3 . 1 1 80 80 TYR N N 80 123.574 123.574 127.737 -4.163 19087 1405 1 3 . 1 1 80 80 TYR HA H 80 6.400 6.400 4.673 1.727 19087 1406 1 3 . 1 1 80 80 TYR C C 80 176.410 176.410 175.238 1.172 19087 1407 1 3 . 1 1 80 80 TYR CA C 80 56.608 56.608 57.197 -0.589 19087 1408 1 3 . 1 1 80 80 TYR CB C 80 42.567 42.567 38.453 4.114 19087 1409 1 3 . 1 1 80 80 TYR H H 80 9.702 9.702 8.752 0.950 19087 1410 1 3 . 1 1 81 81 TYR N N 81 117.754 117.754 120.083 -2.329 19087 1411 1 3 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.098 0.376 19087 1412 1 3 . 1 1 81 81 TYR C C 81 173.237 173.237 173.394 -0.157 19087 1413 1 3 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.566 -0.068 19087 1414 1 3 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.611 1.638 19087 1415 1 3 . 1 1 81 81 TYR H H 81 8.221 8.221 8.022 0.199 19087 1416 1 3 . 1 1 82 82 THR N N 82 111.056 111.056 113.353 -2.297 19087 1417 1 3 . 1 1 82 82 THR HA H 82 4.724 4.724 4.557 0.167 19087 1418 1 3 . 1 1 82 82 THR C C 82 174.521 174.521 174.198 0.323 19087 1419 1 3 . 1 1 82 82 THR CA C 82 60.896 60.896 60.734 0.162 19087 1420 1 3 . 1 1 82 82 THR CB C 82 71.506 71.506 72.214 -0.708 19087 1421 1 3 . 1 1 82 82 THR H H 82 8.245 8.245 8.247 -0.002 19087 1422 1 3 . 1 1 83 83 GLU N N 83 117.058 117.058 120.860 -3.802 19087 1423 1 3 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.476 0.001 19087 1424 1 3 . 1 1 83 83 GLU C C 83 176.152 176.152 176.423 -0.271 19087 1425 1 3 . 1 1 83 83 GLU CA C 83 57.179 57.179 56.002 1.177 19087 1426 1 3 . 1 1 83 83 GLU CB C 83 28.714 28.714 29.877 -1.163 19087 1427 1 3 . 1 1 83 83 GLU H H 83 8.772 8.772 8.590 0.182 19087 1428 1 3 . 1 1 84 84 VAL N N 84 123.039 123.039 121.754 1.285 19087 1429 1 3 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.869 0.025 19087 1430 1 3 . 1 1 84 84 VAL C C 84 177.170 177.170 176.345 0.825 19087 1431 1 3 . 1 1 84 84 VAL CA C 84 63.678 63.678 63.523 0.155 19087 1432 1 3 . 1 1 84 84 VAL CB C 84 32.474 32.474 29.821 2.653 19087 1433 1 3 . 1 1 84 84 VAL H H 84 7.818 7.818 7.877 -0.059 19087 1434 1 3 . 1 1 85 85 GLU N N 85 129.351 129.351 127.416 1.935 19087 1435 1 3 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.939 -0.047 19087 1436 1 3 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.472 0.533 19087 1437 1 3 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.804 0.719 19087 1438 1 3 . 1 1 85 85 GLU H H 85 8.796 8.796 8.773 0.023 19087 1439 1 3 . 1 1 86 86 GLY C C 86 176.321 176.321 174.802 1.519 19087 1440 1 3 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.254 0.622 19087 1441 1 3 . 1 1 87 87 GLU N N 87 121.773 121.773 121.826 -0.053 19087 1442 1 3 . 1 1 87 87 GLU HA H 87 3.948 3.948 4.102 -0.154 19087 1443 1 3 . 1 1 87 87 GLU C C 87 178.276 178.276 177.778 0.498 19087 1444 1 3 . 1 1 87 87 GLU CA C 87 61.762 61.762 59.138 2.624 19087 1445 1 3 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.633 0.463 19087 1446 1 3 . 1 1 87 87 GLU H H 87 8.133 8.133 8.010 0.123 19087 1447 1 3 . 1 1 88 88 ARG N N 88 121.466 121.466 119.795 1.671 19087 1448 1 3 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.667 -0.305 19087 1449 1 3 . 1 1 88 88 ARG C C 88 177.229 177.229 177.960 -0.731 19087 1450 1 3 . 1 1 88 88 ARG CA C 88 59.493 59.493 59.158 0.335 19087 1451 1 3 . 1 1 88 88 ARG CB C 88 29.059 29.059 29.453 -0.395 19087 1452 1 3 . 1 1 88 88 ARG H H 88 9.132 9.132 8.471 0.661 19087 1453 1 3 . 1 1 89 89 ALA N N 89 119.527 119.527 119.644 -0.117 19087 1454 1 3 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.082 0.101 19087 1455 1 3 . 1 1 89 89 ALA C C 89 181.949 181.949 179.826 2.123 19087 1456 1 3 . 1 1 89 89 ALA CA C 89 55.282 55.282 55.006 0.276 19087 1457 1 3 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.166 -0.038 19087 1458 1 3 . 1 1 89 89 ALA H H 89 8.388 8.388 8.281 0.107 19087 1459 1 3 . 1 1 90 90 THR N N 90 115.279 115.279 115.306 -0.027 19087 1460 1 3 . 1 1 90 90 THR HA H 90 4.146 4.146 3.913 0.233 19087 1461 1 3 . 1 1 90 90 THR C C 90 175.118 175.118 176.527 -1.409 19087 1462 1 3 . 1 1 90 90 THR CA C 90 66.607 66.607 66.569 0.039 19087 1463 1 3 . 1 1 90 90 THR CB C 90 68.971 68.971 68.819 0.152 19087 1464 1 3 . 1 1 90 90 THR H H 90 7.640 7.640 7.622 0.018 19087 1465 1 3 . 1 1 91 91 ALA N N 91 124.784 124.784 123.217 1.567 19087 1466 1 3 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.110 -0.341 19087 1467 1 3 . 1 1 91 91 ALA C C 91 178.546 178.546 178.932 -0.386 19087 1468 1 3 . 1 1 91 91 ALA CA C 91 55.552 55.552 54.813 0.739 19087 1469 1 3 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.277 0.976 19087 1470 1 3 . 1 1 91 91 ALA H H 91 9.095 9.095 7.732 1.363 19087 1471 1 3 . 1 1 92 92 ASP N N 92 118.310 118.310 119.150 -0.840 19087 1472 1 3 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.236 0.181 19087 1473 1 3 . 1 1 92 92 ASP C C 92 179.053 179.053 178.121 0.932 19087 1474 1 3 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.298 0.344 19087 1475 1 3 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.662 -0.233 19087 1476 1 3 . 1 1 92 92 ASP H H 92 8.898 8.898 7.958 0.940 19087 1477 1 3 . 1 1 93 93 ALA N N 93 122.980 122.980 121.567 1.413 19087 1478 1 3 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.066 0.208 19087 1479 1 3 . 1 1 93 93 ALA C C 93 180.933 180.933 179.773 1.160 19087 1480 1 3 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.064 0.511 19087 1481 1 3 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.445 -0.269 19087 1482 1 3 . 1 1 93 93 ALA H H 93 7.424 7.424 7.459 -0.035 19087 1483 1 3 . 1 1 94 94 VAL N N 94 123.968 123.968 119.053 4.915 19087 1484 1 3 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.674 -0.730 19087 1485 1 3 . 1 1 94 94 VAL C C 94 178.269 178.269 178.367 -0.098 19087 1486 1 3 . 1 1 94 94 VAL CA C 94 66.399 66.399 66.991 -0.592 19087 1487 1 3 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.666 -0.963 19087 1488 1 3 . 1 1 94 94 VAL H H 94 8.808 8.808 7.425 1.383 19087 1489 1 3 . 1 1 95 95 GLY N N 95 108.282 108.282 105.573 2.709 19087 1490 1 3 . 1 1 95 95 GLY C C 95 176.440 176.440 175.431 1.009 19087 1491 1 3 . 1 1 95 95 GLY CA C 95 47.919 47.919 46.763 1.156 19087 1492 1 3 . 1 1 95 95 GLY H H 95 9.355 9.355 8.417 0.938 19087 1493 1 3 . 1 1 96 96 ARG N N 96 120.852 120.852 120.870 -0.018 19087 1494 1 3 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.158 0.045 19087 1495 1 3 . 1 1 96 96 ARG C C 96 179.101 179.101 178.016 1.085 19087 1496 1 3 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.944 0.266 19087 1497 1 3 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.379 0.155 19087 1498 1 3 . 1 1 96 96 ARG H H 96 8.112 8.112 7.909 0.203 19087 1499 1 3 . 1 1 97 97 THR N N 97 117.170 117.170 114.850 2.320 19087 1500 1 3 . 1 1 97 97 THR HA H 97 3.986 3.986 4.070 -0.084 19087 1501 1 3 . 1 1 97 97 THR C C 97 175.451 175.451 176.039 -0.588 19087 1502 1 3 . 1 1 97 97 THR CA C 97 66.867 66.867 65.836 1.031 19087 1503 1 3 . 1 1 97 97 THR CB C 97 68.205 68.205 68.726 -0.521 19087 1504 1 3 . 1 1 97 97 THR H H 97 7.854 7.854 7.779 0.075 19087 1505 1 3 . 1 1 98 98 LEU N N 98 115.294 115.294 120.066 -4.772 19087 1506 1 3 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.362 -0.057 19087 1507 1 3 . 1 1 98 98 LEU C C 98 177.537 177.537 177.708 -0.171 19087 1508 1 3 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.975 -1.392 19087 1509 1 3 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.458 0.915 19087 1510 1 3 . 1 1 98 98 LEU H H 98 7.855 7.855 7.773 0.082 19087 1511 1 3 . 1 1 99 99 GLY N N 99 111.931 111.931 107.479 4.452 19087 1512 1 3 . 1 1 99 99 GLY C C 99 173.997 173.997 173.861 0.136 19087 1513 1 3 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.179 1.814 19087 1514 1 3 . 1 1 99 99 GLY H H 99 8.101 8.101 7.665 0.436 19087 1515 1 3 . 1 1 100 100 ALA N N 100 121.739 121.739 122.491 -0.752 19087 1516 1 3 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.475 0.262 19087 1517 1 3 . 1 1 100 100 ALA C C 100 175.351 175.351 175.801 -0.450 19087 1518 1 3 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.318 0.088 19087 1519 1 3 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.380 2.579 19087 1520 1 3 . 1 1 100 100 ALA H H 100 8.033 8.033 7.933 0.100 19087 1521 1 3 . 1 1 101 101 ALA N N 101 122.895 122.895 122.932 -0.037 19087 1522 1 3 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.486 -0.277 19087 1523 1 3 . 1 1 101 101 ALA C C 101 175.179 175.179 176.721 -1.542 19087 1524 1 3 . 1 1 101 101 ALA CA C 101 52.737 52.737 51.433 1.304 19087 1525 1 3 . 1 1 101 101 ALA CB C 101 19.814 19.814 18.435 1.379 19087 1526 1 3 . 1 1 101 101 ALA H H 101 7.782 7.782 8.142 -0.360 19087 1527 1 3 . 1 1 102 102 VAL N N 102 120.035 120.035 120.348 -0.313 19087 1528 1 3 . 1 1 102 102 VAL HA H 102 5.054 5.054 4.320 0.734 19087 1529 1 3 . 1 1 102 102 VAL C C 102 176.587 176.587 175.397 1.190 19087 1530 1 3 . 1 1 102 102 VAL CA C 102 60.988 60.988 61.684 -0.696 19087 1531 1 3 . 1 1 102 102 VAL CB C 102 33.725 33.725 32.837 0.888 19087 1532 1 3 . 1 1 102 102 VAL H H 102 7.872 7.872 8.074 -0.202 19087 1533 1 3 . 1 1 103 103 GLU N N 103 126.469 126.469 126.493 -0.024 19087 1534 1 3 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.442 0.437 19087 1535 1 3 . 1 1 103 103 GLU C C 103 174.343 174.343 173.919 0.424 19087 1536 1 3 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.089 0.262 19087 1537 1 3 . 1 1 103 103 GLU CB C 103 35.595 35.595 33.364 2.231 19087 1538 1 3 . 1 1 103 103 GLU H H 103 9.215 9.215 8.279 0.936 19087 1539 1 3 . 1 1 104 104 LEU N N 104 123.109 123.109 121.720 1.389 19087 1540 1 3 . 1 1 104 104 LEU HA H 104 3.591 3.591 4.211 -0.620 19087 1541 1 3 . 1 1 104 104 LEU C C 104 178.379 178.379 178.740 -0.361 19087 1542 1 3 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.785 -0.865 19087 1543 1 3 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.313 0.597 19087 1544 1 3 . 1 1 104 104 LEU H H 104 8.273 8.273 8.191 0.082 19087 1545 1 3 . 1 1 105 105 ARG N N 105 119.790 119.790 118.579 1.211 19087 1546 1 3 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.103 0.158 19087 1547 1 3 . 1 1 105 105 ARG C C 105 177.043 177.043 176.449 0.594 19087 1548 1 3 . 1 1 105 105 ARG CA C 105 59.310 59.310 58.147 1.163 19087 1549 1 3 . 1 1 105 105 ARG CB C 105 32.077 32.077 30.247 1.830 19087 1550 1 3 . 1 1 105 105 ARG H H 105 8.300 8.300 8.491 -0.191 19087 1551 1 3 . 1 1 106 106 LEU N N 106 122.431 122.431 114.882 7.549 19087 1552 1 3 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.121 0.277 19087 1553 1 3 . 1 1 106 106 LEU CA C 106 54.701 54.701 54.530 0.171 19087 1554 1 3 . 1 1 106 106 LEU CB C 106 42.469 42.469 40.863 1.606 19087 1555 1 3 . 1 1 106 106 LEU H H 106 8.026 8.026 7.783 0.243 19087 1556 1 3 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.284 -0.045 19087 1557 1 3 . 1 1 107 107 PRO C C 107 179.627 179.627 178.007 1.620 19087 1558 1 3 . 1 1 107 107 PRO CA C 107 65.898 65.898 64.997 0.901 19087 1559 1 3 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.814 -0.295 19087 1560 1 3 . 1 1 108 108 GLU N N 108 116.744 116.744 117.193 -0.449 19087 1561 1 3 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.082 0.016 19087 1562 1 3 . 1 1 108 108 GLU C C 108 176.957 176.957 178.142 -1.185 19087 1563 1 3 . 1 1 108 108 GLU CA C 108 59.584 59.584 58.337 1.247 19087 1564 1 3 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.179 0.978 19087 1565 1 3 . 1 1 108 108 GLU H H 108 9.605 9.605 8.949 0.656 19087 1566 1 3 . 1 1 109 109 LEU N N 109 116.575 116.575 119.314 -2.739 19087 1567 1 3 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.161 0.369 19087 1568 1 3 . 1 1 109 109 LEU C C 109 177.894 177.894 177.217 0.677 19087 1569 1 3 . 1 1 109 109 LEU CA C 109 53.489 53.489 56.613 -3.124 19087 1570 1 3 . 1 1 109 109 LEU CB C 109 42.241 42.241 42.026 0.215 19087 1571 1 3 . 1 1 109 109 LEU H H 109 7.630 7.630 7.384 0.246 19087 1572 1 3 . 1 1 110 110 SER N N 110 117.031 117.031 113.001 4.030 19087 1573 1 3 . 1 1 110 110 SER HA H 110 3.943 3.943 4.230 -0.287 19087 1574 1 3 . 1 1 110 110 SER C C 110 174.273 174.273 175.132 -0.859 19087 1575 1 3 . 1 1 110 110 SER CA C 110 59.543 59.543 60.810 -1.267 19087 1576 1 3 . 1 1 110 110 SER CB C 110 63.609 63.609 63.281 0.328 19087 1577 1 3 . 1 1 110 110 SER H H 110 7.757 7.757 7.524 0.233 19087 1578 1 3 . 1 1 111 111 ASP N N 111 117.804 117.804 119.718 -1.914 19087 1579 1 3 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.633 -0.051 19087 1580 1 3 . 1 1 111 111 ASP C C 111 176.760 176.760 176.140 0.620 19087 1581 1 3 . 1 1 111 111 ASP CA C 111 53.976 53.976 55.009 -1.033 19087 1582 1 3 . 1 1 111 111 ASP CB C 111 40.183 40.183 42.023 -1.840 19087 1583 1 3 . 1 1 111 111 ASP H H 111 8.315 8.315 7.543 0.772 19087 1584 1 3 . 1 1 112 112 GLN N N 112 119.300 119.300 119.535 -0.235 19087 1585 1 3 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.459 -0.159 19087 1586 1 3 . 1 1 112 112 GLN CA C 112 55.014 55.014 53.672 1.342 19087 1587 1 3 . 1 1 112 112 GLN CB C 112 26.568 26.568 28.735 -2.167 19087 1588 1 3 . 1 1 112 112 GLN H H 112 7.212 7.212 7.407 -0.195 19087 1589 1 3 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.322 0.205 19087 1590 1 3 . 1 1 114 114 PRO C C 114 175.464 175.464 176.677 -1.213 19087 1591 1 3 . 1 1 114 114 PRO CA C 114 64.069 64.069 64.046 0.023 19087 1592 1 3 . 1 1 114 114 PRO CB C 114 32.447 32.447 31.559 0.888 19087 1593 1 3 . 1 1 115 115 GLY N N 115 113.817 113.817 109.315 4.502 19087 1594 1 3 . 1 1 115 115 GLY C C 115 173.552 173.552 172.753 0.799 19087 1595 1 3 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.819 -0.866 19087 1596 1 3 . 1 1 115 115 GLY H H 115 8.443 8.443 7.869 0.574 19087 1597 1 3 . 1 1 116 116 VAL N N 116 122.049 122.049 121.693 0.356 19087 1598 1 3 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.552 -0.421 19087 1599 1 3 . 1 1 116 116 VAL C C 116 174.533 174.533 176.033 -1.500 19087 1600 1 3 . 1 1 116 116 VAL CA C 116 63.916 63.916 63.928 -0.012 19087 1601 1 3 . 1 1 116 116 VAL CB C 116 32.342 32.342 32.419 -0.077 19087 1602 1 3 . 1 1 116 116 VAL H H 116 8.957 8.957 7.955 1.002 19087 1603 1 3 . 1 1 117 117 ILE N N 117 126.102 126.102 123.771 2.331 19087 1604 1 3 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.397 -0.458 19087 1605 1 3 . 1 1 117 117 ILE C C 117 174.181 174.181 174.062 0.119 19087 1606 1 3 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.713 1.356 19087 1607 1 3 . 1 1 117 117 ILE CB C 117 42.368 42.368 42.209 0.159 19087 1608 1 3 . 1 1 117 117 ILE H H 117 7.863 7.863 8.742 -0.879 19087 1609 1 3 . 1 1 118 118 VAL N N 118 127.665 127.665 125.609 2.056 19087 1610 1 3 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.513 0.411 19087 1611 1 3 . 1 1 118 118 VAL C C 118 175.224 175.224 174.320 0.904 19087 1612 1 3 . 1 1 118 118 VAL CA C 118 60.580 60.580 60.091 0.489 19087 1613 1 3 . 1 1 118 118 VAL CB C 118 33.945 33.945 32.991 0.954 19087 1614 1 3 . 1 1 118 118 VAL H H 118 9.348 9.348 8.663 0.685 19087 1615 1 3 . 1 1 119 119 VAL N N 119 121.828 121.828 130.703 -8.875 19087 1616 1 3 . 1 1 119 119 VAL HA H 119 5.563 5.563 5.129 0.434 19087 1617 1 3 . 1 1 119 119 VAL C C 119 174.425 174.425 175.289 -0.864 19087 1618 1 3 . 1 1 119 119 VAL CA C 119 58.691 58.691 61.666 -2.975 19087 1619 1 3 . 1 1 119 119 VAL CB C 119 32.886 32.886 32.574 0.312 19087 1620 1 3 . 1 1 119 119 VAL H H 119 9.096 9.096 8.671 0.425 19087 1621 1 3 . 1 1 120 120 VAL N N 120 120.260 120.260 128.507 -8.247 19087 1622 1 3 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.571 0.247 19087 1623 1 3 . 1 1 120 120 VAL C C 120 175.649 175.649 175.752 -0.103 19087 1624 1 3 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.059 0.572 19087 1625 1 3 . 1 1 120 120 VAL CB C 120 34.550 34.550 33.955 0.595 19087 1626 1 3 . 1 1 120 120 VAL H H 120 8.809 8.809 8.892 -0.083 19087 1627 1 3 . 1 1 121 121 THR N N 121 114.564 114.564 117.150 -2.586 19087 1628 1 3 . 1 1 121 121 THR HA H 121 4.428 4.428 4.821 -0.393 19087 1629 1 3 . 1 1 121 121 THR C C 121 173.833 173.833 175.318 -1.485 19087 1630 1 3 . 1 1 121 121 THR CA C 121 60.834 60.834 60.640 0.194 19087 1631 1 3 . 1 1 121 121 THR CB C 121 69.413 69.413 70.397 -0.984 19087 1632 1 3 . 1 1 121 121 THR H H 121 7.859 7.859 8.446 -0.587 19087 1633 1 4 . 1 1 6 6 SER C C 6 174.665 174.665 174.880 -0.215 19087 1634 1 4 . 1 1 6 6 SER CA C 6 58.745 58.745 58.901 -0.156 19087 1635 1 4 . 1 1 6 6 SER CB C 6 63.870 63.870 63.881 -0.011 19087 1636 1 4 . 1 1 7 7 GLU N N 7 122.278 122.278 121.249 1.029 19087 1637 1 4 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.255 0.473 19087 1638 1 4 . 1 1 7 7 GLU C C 7 176.279 176.279 176.283 -0.004 19087 1639 1 4 . 1 1 7 7 GLU CA C 7 56.894 56.894 57.663 -0.769 19087 1640 1 4 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.906 0.303 19087 1641 1 4 . 1 1 7 7 GLU H H 7 8.475 8.475 8.542 -0.067 19087 1642 1 4 . 1 1 8 8 ASP N N 8 120.753 120.753 118.980 1.773 19087 1643 1 4 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.385 0.324 19087 1644 1 4 . 1 1 8 8 ASP C C 8 176.070 176.070 176.198 -0.128 19087 1645 1 4 . 1 1 8 8 ASP CA C 8 54.366 54.366 55.381 -1.015 19087 1646 1 4 . 1 1 8 8 ASP CB C 8 41.459 41.459 40.718 0.741 19087 1647 1 4 . 1 1 8 8 ASP H H 8 8.206 8.206 7.990 0.216 19087 1648 1 4 . 1 1 9 9 ASP N N 9 121.430 121.430 118.806 2.624 19087 1649 1 4 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.359 0.344 19087 1650 1 4 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.600 -0.156 19087 1651 1 4 . 1 1 9 9 ASP CB C 9 41.220 41.220 40.717 0.503 19087 1652 1 4 . 1 1 9 9 ASP H H 9 8.256 8.256 8.300 -0.044 19087 1653 1 4 . 1 1 11 11 SER C C 11 174.517 174.517 173.203 1.314 19087 1654 1 4 . 1 1 11 11 SER CA C 11 59.364 59.364 58.267 1.097 19087 1655 1 4 . 1 1 11 11 SER CB C 11 63.989 63.989 65.005 -1.016 19087 1656 1 4 . 1 1 12 12 ALA N N 12 125.500 125.500 128.348 -2.848 19087 1657 1 4 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.682 -0.326 19087 1658 1 4 . 1 1 12 12 ALA C C 12 177.811 177.811 175.824 1.987 19087 1659 1 4 . 1 1 12 12 ALA CA C 12 52.815 52.815 52.207 0.608 19087 1660 1 4 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.192 -0.988 19087 1661 1 4 . 1 1 12 12 ALA H H 12 8.087 8.087 8.445 -0.358 19087 1662 1 4 . 1 1 13 13 ILE N N 13 119.045 119.045 122.028 -2.983 19087 1663 1 4 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.709 -0.516 19087 1664 1 4 . 1 1 13 13 ILE CA C 13 61.163 61.163 60.795 0.368 19087 1665 1 4 . 1 1 13 13 ILE CB C 13 38.721 38.721 40.120 -1.399 19087 1666 1 4 . 1 1 13 13 ILE H H 13 7.938 7.938 9.054 -1.116 19087 1667 1 4 . 1 1 14 14 SER N N 14 119.662 119.662 121.741 -2.079 19087 1668 1 4 . 1 1 14 14 SER H H 14 8.339 8.339 8.714 -0.375 19087 1669 1 4 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.497 -0.211 19087 1670 1 4 . 1 1 21 21 ALA C C 21 177.013 177.013 176.345 0.668 19087 1671 1 4 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.687 -0.102 19087 1672 1 4 . 1 1 21 21 ALA CB C 21 19.339 19.339 19.435 -0.096 19087 1673 1 4 . 1 1 22 22 ALA N N 22 124.579 124.579 123.171 1.408 19087 1674 1 4 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.951 -0.226 19087 1675 1 4 . 1 1 22 22 ALA CA C 22 50.310 50.310 50.825 -0.515 19087 1676 1 4 . 1 1 22 22 ALA CB C 22 18.232 18.232 18.131 0.102 19087 1677 1 4 . 1 1 22 22 ALA H H 22 8.182 8.182 8.745 -0.563 19087 1678 1 4 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.623 -0.488 19087 1679 1 4 . 1 1 28 28 VAL C C 28 175.779 175.779 174.059 1.720 19087 1680 1 4 . 1 1 28 28 VAL CA C 28 62.167 62.167 61.200 0.967 19087 1681 1 4 . 1 1 28 28 VAL CB C 28 32.681 32.681 34.095 -1.414 19087 1682 1 4 . 1 1 29 29 LYS N N 29 126.858 126.858 125.598 1.260 19087 1683 1 4 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.771 -0.059 19087 1684 1 4 . 1 1 29 29 LYS CA C 29 54.135 54.135 54.532 -0.397 19087 1685 1 4 . 1 1 29 29 LYS CB C 29 32.646 32.646 33.015 -0.369 19087 1686 1 4 . 1 1 29 29 LYS H H 29 8.346 8.346 8.212 0.134 19087 1687 1 4 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.554 -0.152 19087 1688 1 4 . 1 1 30 30 PRO C C 30 176.435 176.435 175.959 0.476 19087 1689 1 4 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.906 -0.130 19087 1690 1 4 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.465 -0.312 19087 1691 1 4 . 1 1 31 31 ALA N N 31 124.680 124.680 125.632 -0.952 19087 1692 1 4 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.467 -0.120 19087 1693 1 4 . 1 1 31 31 ALA C C 31 176.860 176.860 176.466 0.394 19087 1694 1 4 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.734 0.582 19087 1695 1 4 . 1 1 31 31 ALA CB C 31 19.398 19.398 19.519 -0.121 19087 1696 1 4 . 1 1 31 31 ALA H H 31 8.324 8.324 8.487 -0.163 19087 1697 1 4 . 1 1 32 32 ALA N N 32 125.011 125.011 123.142 1.869 19087 1698 1 4 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.610 0.126 19087 1699 1 4 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.809 -0.322 19087 1700 1 4 . 1 1 32 32 ALA CB C 32 18.203 18.203 19.443 -1.240 19087 1701 1 4 . 1 1 32 32 ALA H H 32 8.246 8.246 8.342 -0.096 19087 1702 1 4 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.541 -0.075 19087 1703 1 4 . 1 1 33 33 PRO C C 33 176.834 176.834 176.753 0.081 19087 1704 1 4 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.882 -0.057 19087 1705 1 4 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.409 -0.414 19087 1706 1 4 . 1 1 34 34 ARG N N 34 121.170 121.170 125.033 -3.863 19087 1707 1 4 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.302 0.084 19087 1708 1 4 . 1 1 34 34 ARG C C 34 175.853 175.853 176.199 -0.346 19087 1709 1 4 . 1 1 34 34 ARG CA C 34 55.912 55.912 57.645 -1.733 19087 1710 1 4 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.127 0.545 19087 1711 1 4 . 1 1 34 34 ARG H H 34 8.349 8.349 8.660 -0.311 19087 1712 1 4 . 1 1 35 35 ALA N N 35 124.878 124.878 120.400 4.478 19087 1713 1 4 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.662 -0.050 19087 1714 1 4 . 1 1 35 35 ALA C C 35 176.170 176.170 174.790 1.380 19087 1715 1 4 . 1 1 35 35 ALA CA C 35 51.566 51.566 51.926 -0.360 19087 1716 1 4 . 1 1 35 35 ALA CB C 35 20.722 20.722 21.692 -0.970 19087 1717 1 4 . 1 1 35 35 ALA H H 35 8.008 8.008 7.920 0.088 19087 1718 1 4 . 1 1 36 36 GLU N N 36 119.776 119.776 123.344 -3.568 19087 1719 1 4 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.884 -0.453 19087 1720 1 4 . 1 1 36 36 GLU C C 36 174.618 174.618 175.033 -0.415 19087 1721 1 4 . 1 1 36 36 GLU CA C 36 56.472 56.472 54.984 1.488 19087 1722 1 4 . 1 1 36 36 GLU CB C 36 31.124 31.124 32.518 -1.394 19087 1723 1 4 . 1 1 36 36 GLU H H 36 8.495 8.495 8.468 0.027 19087 1724 1 4 . 1 1 37 37 VAL N N 37 119.808 119.808 122.401 -2.593 19087 1725 1 4 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.349 0.553 19087 1726 1 4 . 1 1 37 37 VAL C C 37 174.285 174.285 175.183 -0.898 19087 1727 1 4 . 1 1 37 37 VAL CA C 37 60.639 60.639 61.295 -0.656 19087 1728 1 4 . 1 1 37 37 VAL CB C 37 34.612 34.612 32.579 2.033 19087 1729 1 4 . 1 1 37 37 VAL H H 37 8.494 8.494 8.836 -0.342 19087 1730 1 4 . 1 1 38 38 ARG N N 38 124.534 124.534 123.168 1.366 19087 1731 1 4 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.073 -0.147 19087 1732 1 4 . 1 1 38 38 ARG C C 38 174.239 174.239 174.145 0.094 19087 1733 1 4 . 1 1 38 38 ARG CA C 38 55.092 55.092 54.471 0.621 19087 1734 1 4 . 1 1 38 38 ARG CB C 38 34.190 34.190 33.248 0.942 19087 1735 1 4 . 1 1 38 38 ARG H H 38 8.652 8.652 8.922 -0.270 19087 1736 1 4 . 1 1 39 39 VAL N N 39 121.231 121.231 124.707 -3.476 19087 1737 1 4 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.659 0.139 19087 1738 1 4 . 1 1 39 39 VAL C C 39 173.357 173.357 174.788 -1.431 19087 1739 1 4 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.142 -0.504 19087 1740 1 4 . 1 1 39 39 VAL CB C 39 34.294 34.294 32.648 1.646 19087 1741 1 4 . 1 1 39 39 VAL H H 39 7.934 7.934 8.492 -0.558 19087 1742 1 4 . 1 1 40 40 TYR N N 40 122.262 122.262 128.550 -6.288 19087 1743 1 4 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.028 0.126 19087 1744 1 4 . 1 1 40 40 TYR C C 40 175.124 175.124 174.922 0.202 19087 1745 1 4 . 1 1 40 40 TYR CA C 40 55.540 55.540 56.688 -1.148 19087 1746 1 4 . 1 1 40 40 TYR CB C 40 42.223 42.223 38.638 3.585 19087 1747 1 4 . 1 1 40 40 TYR H H 40 9.343 9.343 8.928 0.415 19087 1748 1 4 . 1 1 41 41 ASN N N 41 121.684 121.684 124.625 -2.941 19087 1749 1 4 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.315 -0.283 19087 1750 1 4 . 1 1 41 41 ASN C C 41 176.301 176.301 175.129 1.172 19087 1751 1 4 . 1 1 41 41 ASN CA C 41 52.635 52.635 53.328 -0.693 19087 1752 1 4 . 1 1 41 41 ASN CB C 41 39.836 39.836 39.667 0.169 19087 1753 1 4 . 1 1 41 41 ASN H H 41 9.287 9.287 8.342 0.945 19087 1754 1 4 . 1 1 42 42 ILE N N 42 119.462 119.462 125.949 -6.487 19087 1755 1 4 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.113 1.337 19087 1756 1 4 . 1 1 42 42 ILE C C 42 176.450 176.450 176.345 0.105 19087 1757 1 4 . 1 1 42 42 ILE CA C 42 60.513 60.513 63.649 -3.136 19087 1758 1 4 . 1 1 42 42 ILE CB C 42 38.597 38.597 38.829 -0.232 19087 1759 1 4 . 1 1 42 42 ILE H H 42 8.541 8.541 8.430 0.111 19087 1760 1 4 . 1 1 43 43 SER N N 43 118.212 118.212 113.750 4.462 19087 1761 1 4 . 1 1 43 43 SER HA H 43 4.729 4.729 4.425 0.304 19087 1762 1 4 . 1 1 43 43 SER CA C 43 58.598 58.598 58.467 0.131 19087 1763 1 4 . 1 1 43 43 SER CB C 43 66.262 66.262 63.650 2.612 19087 1764 1 4 . 1 1 43 43 SER H H 43 8.142 8.142 8.036 0.106 19087 1765 1 4 . 1 1 44 44 GLY C C 44 174.414 174.414 174.528 -0.114 19087 1766 1 4 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.789 -0.410 19087 1767 1 4 . 1 1 45 45 THR N N 45 116.371 116.371 113.692 2.679 19087 1768 1 4 . 1 1 45 45 THR HA H 45 4.384 4.384 4.386 -0.002 19087 1769 1 4 . 1 1 45 45 THR CA C 45 61.814 61.814 61.779 0.035 19087 1770 1 4 . 1 1 45 45 THR CB C 45 69.787 69.787 70.163 -0.376 19087 1771 1 4 . 1 1 45 45 THR H H 45 8.298 8.298 7.906 0.392 19087 1772 1 4 . 1 1 47 47 GLY C C 47 175.691 175.691 175.516 0.175 19087 1773 1 4 . 1 1 47 47 GLY CA C 47 46.191 46.191 45.995 0.196 19087 1774 1 4 . 1 1 48 48 ALA N N 48 121.957 121.957 123.936 -1.979 19087 1775 1 4 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.228 -0.199 19087 1776 1 4 . 1 1 48 48 ALA CA C 48 55.402 55.402 53.953 1.449 19087 1777 1 4 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.147 0.345 19087 1778 1 4 . 1 1 48 48 ALA H H 48 7.511 7.511 8.085 -0.574 19087 1779 1 4 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.937 0.047 19087 1780 1 4 . 1 1 49 49 ALA C C 49 178.073 178.073 178.345 -0.272 19087 1781 1 4 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.856 0.005 19087 1782 1 4 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.966 -0.277 19087 1783 1 4 . 1 1 50 50 ALA N N 50 122.654 122.654 119.411 3.243 19087 1784 1 4 . 1 1 50 50 ALA HA H 50 3.989 3.989 4.065 -0.076 19087 1785 1 4 . 1 1 50 50 ALA C C 50 179.642 179.642 178.948 0.694 19087 1786 1 4 . 1 1 50 50 ALA CA C 50 55.851 55.851 53.967 1.884 19087 1787 1 4 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.467 -0.679 19087 1788 1 4 . 1 1 50 50 ALA H H 50 7.965 7.965 8.051 -0.086 19087 1789 1 4 . 1 1 51 51 ARG N N 51 116.659 116.659 118.619 -1.960 19087 1790 1 4 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.149 0.042 19087 1791 1 4 . 1 1 51 51 ARG C C 51 179.931 179.931 177.755 2.176 19087 1792 1 4 . 1 1 51 51 ARG CA C 51 59.512 59.512 57.809 1.703 19087 1793 1 4 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.608 0.855 19087 1794 1 4 . 1 1 51 51 ARG H H 51 7.982 7.982 7.972 0.010 19087 1795 1 4 . 1 1 52 52 THR N N 52 117.745 117.745 112.273 5.472 19087 1796 1 4 . 1 1 52 52 THR HA H 52 4.162 4.162 3.960 0.202 19087 1797 1 4 . 1 1 52 52 THR C C 52 175.626 175.626 175.978 -0.352 19087 1798 1 4 . 1 1 52 52 THR CA C 52 68.565 68.565 65.934 2.631 19087 1799 1 4 . 1 1 52 52 THR CB C 52 70.787 70.787 68.491 2.296 19087 1800 1 4 . 1 1 52 52 THR H H 52 7.661 7.661 7.567 0.094 19087 1801 1 4 . 1 1 53 53 ALA N N 53 123.939 123.939 123.781 0.158 19087 1802 1 4 . 1 1 53 53 ALA HA H 53 3.886 3.886 3.970 -0.084 19087 1803 1 4 . 1 1 53 53 ALA C C 53 179.013 179.013 178.825 0.188 19087 1804 1 4 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.307 1.889 19087 1805 1 4 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.573 0.144 19087 1806 1 4 . 1 1 53 53 ALA H H 53 8.805 8.805 7.647 1.157 19087 1807 1 4 . 1 1 54 54 ASP N N 54 118.351 118.351 119.143 -0.792 19087 1808 1 4 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.294 0.138 19087 1809 1 4 . 1 1 54 54 ASP C C 54 179.376 179.376 177.990 1.386 19087 1810 1 4 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.377 0.630 19087 1811 1 4 . 1 1 54 54 ASP CB C 54 40.242 40.242 41.041 -0.799 19087 1812 1 4 . 1 1 54 54 ASP H H 54 8.327 8.327 7.647 0.680 19087 1813 1 4 . 1 1 55 55 ARG N N 55 121.120 121.120 119.391 1.729 19087 1814 1 4 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.057 0.118 19087 1815 1 4 . 1 1 55 55 ARG C C 55 179.550 179.550 178.568 0.982 19087 1816 1 4 . 1 1 55 55 ARG CA C 55 59.285 59.285 59.146 0.139 19087 1817 1 4 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.163 0.157 19087 1818 1 4 . 1 1 55 55 ARG H H 55 7.723 7.723 7.886 -0.163 19087 1819 1 4 . 1 1 56 56 LEU N N 56 118.659 118.659 119.472 -0.813 19087 1820 1 4 . 1 1 56 56 LEU HA H 56 4.332 4.332 3.832 0.500 19087 1821 1 4 . 1 1 56 56 LEU C C 56 179.305 179.305 178.691 0.614 19087 1822 1 4 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.671 -0.234 19087 1823 1 4 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.149 0.138 19087 1824 1 4 . 1 1 56 56 LEU H H 56 8.215 8.215 7.456 0.759 19087 1825 1 4 . 1 1 57 57 LYS N N 57 122.713 122.713 120.394 2.319 19087 1826 1 4 . 1 1 57 57 LYS HA H 57 4.513 4.513 4.052 0.461 19087 1827 1 4 . 1 1 57 57 LYS C C 57 181.436 181.436 178.719 2.717 19087 1828 1 4 . 1 1 57 57 LYS CA C 57 60.004 60.004 59.371 0.633 19087 1829 1 4 . 1 1 57 57 LYS CB C 57 32.437 32.437 32.437 0.000 19087 1830 1 4 . 1 1 57 57 LYS H H 57 8.914 8.914 7.954 0.960 19087 1831 1 4 . 1 1 58 58 ALA N N 58 122.423 122.423 120.686 1.737 19087 1832 1 4 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.238 -0.028 19087 1833 1 4 . 1 1 58 58 ALA C C 58 178.516 178.516 179.161 -0.645 19087 1834 1 4 . 1 1 58 58 ALA CA C 58 55.069 55.069 54.351 0.718 19087 1835 1 4 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.359 -0.450 19087 1836 1 4 . 1 1 58 58 ALA H H 58 8.026 8.026 7.788 0.238 19087 1837 1 4 . 1 1 59 59 ALA N N 59 118.347 118.347 119.773 -1.426 19087 1838 1 4 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.386 0.100 19087 1839 1 4 . 1 1 59 59 ALA C C 59 176.797 176.797 177.960 -1.163 19087 1840 1 4 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.427 -0.669 19087 1841 1 4 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.751 -0.382 19087 1842 1 4 . 1 1 59 59 ALA H H 59 7.413 7.413 7.768 -0.355 19087 1843 1 4 . 1 1 60 60 GLY N N 60 104.918 104.918 106.894 -1.976 19087 1844 1 4 . 1 1 60 60 GLY C C 60 174.741 174.741 174.020 0.721 19087 1845 1 4 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.650 0.586 19087 1846 1 4 . 1 1 60 60 GLY H H 60 7.694 7.694 7.699 -0.005 19087 1847 1 4 . 1 1 61 61 PHE N N 61 118.862 118.862 119.522 -0.660 19087 1848 1 4 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.885 -0.390 19087 1849 1 4 . 1 1 61 61 PHE C C 61 175.204 175.204 177.314 -2.110 19087 1850 1 4 . 1 1 61 61 PHE CA C 61 58.483 58.483 56.523 1.960 19087 1851 1 4 . 1 1 61 61 PHE CB C 61 39.163 39.163 39.685 -0.522 19087 1852 1 4 . 1 1 61 61 PHE H H 61 7.879 7.879 8.179 -0.300 19087 1853 1 4 . 1 1 62 62 THR N N 62 121.319 121.319 118.102 3.217 19087 1854 1 4 . 1 1 62 62 THR HA H 62 4.303 4.303 4.129 0.174 19087 1855 1 4 . 1 1 62 62 THR C C 62 173.073 173.073 174.581 -1.508 19087 1856 1 4 . 1 1 62 62 THR CA C 62 69.389 69.389 65.661 3.728 19087 1857 1 4 . 1 1 62 62 THR CB C 62 62.478 62.478 69.219 -6.741 19087 1858 1 4 . 1 1 62 62 THR H H 62 9.493 9.493 8.854 0.639 19087 1859 1 4 . 1 1 63 63 VAL N N 63 128.406 128.406 121.021 7.385 19087 1860 1 4 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.357 0.303 19087 1861 1 4 . 1 1 63 63 VAL C C 63 177.267 177.267 174.194 3.073 19087 1862 1 4 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.618 -1.519 19087 1863 1 4 . 1 1 63 63 VAL CB C 63 32.572 32.572 35.183 -2.611 19087 1864 1 4 . 1 1 63 63 VAL H H 63 8.293 8.293 8.195 0.098 19087 1865 1 4 . 1 1 64 64 THR N N 64 118.495 118.495 116.337 2.158 19087 1866 1 4 . 1 1 64 64 THR HA H 64 4.350 4.350 5.136 -0.786 19087 1867 1 4 . 1 1 64 64 THR CA C 64 62.182 62.182 60.198 1.984 19087 1868 1 4 . 1 1 64 64 THR CB C 64 69.143 69.143 70.240 -1.097 19087 1869 1 4 . 1 1 64 64 THR H H 64 8.770 8.770 8.422 0.348 19087 1870 1 4 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.823 -0.522 19087 1871 1 4 . 1 1 65 65 ASP C C 65 173.778 173.778 174.404 -0.626 19087 1872 1 4 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.021 1.266 19087 1873 1 4 . 1 1 65 65 ASP CB C 65 44.018 44.018 43.961 0.057 19087 1874 1 4 . 1 1 66 66 VAL N N 66 121.705 121.705 122.343 -0.638 19087 1875 1 4 . 1 1 66 66 VAL HA H 66 4.863 4.863 4.608 0.255 19087 1876 1 4 . 1 1 66 66 VAL C C 66 176.234 176.234 175.001 1.233 19087 1877 1 4 . 1 1 66 66 VAL CA C 66 60.597 60.597 60.664 -0.067 19087 1878 1 4 . 1 1 66 66 VAL CB C 66 34.120 34.120 34.671 -0.551 19087 1879 1 4 . 1 1 66 66 VAL H H 66 7.849 7.849 8.307 -0.458 19087 1880 1 4 . 1 1 67 67 GLY N N 67 112.050 112.050 117.925 -5.875 19087 1881 1 4 . 1 1 67 67 GLY CA C 67 45.618 45.618 44.110 1.508 19087 1882 1 4 . 1 1 67 67 GLY H H 67 8.151 8.151 8.146 0.005 19087 1883 1 4 . 1 1 68 68 ASN C C 68 173.771 173.771 174.358 -0.587 19087 1884 1 4 . 1 1 68 68 ASN CA C 68 53.062 53.062 52.963 0.099 19087 1885 1 4 . 1 1 68 68 ASN CB C 68 39.832 39.832 37.427 2.405 19087 1886 1 4 . 1 1 69 69 LEU N N 69 121.003 121.003 124.006 -3.003 19087 1887 1 4 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.644 -0.107 19087 1888 1 4 . 1 1 69 69 LEU C C 69 174.751 174.751 174.950 -0.199 19087 1889 1 4 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.232 -0.307 19087 1890 1 4 . 1 1 69 69 LEU CB C 69 47.313 47.313 46.375 0.938 19087 1891 1 4 . 1 1 69 69 LEU H H 69 8.276 8.276 7.563 0.713 19087 1892 1 4 . 1 1 70 70 SER N N 70 116.269 116.269 118.546 -2.277 19087 1893 1 4 . 1 1 70 70 SER C C 70 173.777 173.777 174.178 -0.401 19087 1894 1 4 . 1 1 70 70 SER CA C 70 56.923 56.923 58.049 -1.126 19087 1895 1 4 . 1 1 70 70 SER CB C 70 63.219 63.219 62.878 0.341 19087 1896 1 4 . 1 1 70 70 SER H H 70 8.122 8.122 8.337 -0.215 19087 1897 1 4 . 1 1 71 71 LEU N N 71 127.999 127.999 126.243 1.756 19087 1898 1 4 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.732 0.024 19087 1899 1 4 . 1 1 71 71 LEU CA C 71 52.165 52.165 51.478 0.687 19087 1900 1 4 . 1 1 71 71 LEU CB C 71 44.179 44.179 42.041 2.138 19087 1901 1 4 . 1 1 71 71 LEU H H 71 8.293 8.293 7.828 0.465 19087 1902 1 4 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.209 0.151 19087 1903 1 4 . 1 1 72 72 PRO C C 72 176.922 176.922 176.386 0.536 19087 1904 1 4 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.905 -0.661 19087 1905 1 4 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.735 0.731 19087 1906 1 4 . 1 1 73 73 ASP N N 73 115.106 115.106 113.064 2.042 19087 1907 1 4 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.501 0.057 19087 1908 1 4 . 1 1 73 73 ASP C C 73 175.809 175.809 174.631 1.178 19087 1909 1 4 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.053 1.092 19087 1910 1 4 . 1 1 73 73 ASP CB C 73 40.778 40.778 40.861 -0.083 19087 1911 1 4 . 1 1 73 73 ASP H H 73 8.431 8.431 8.482 -0.051 19087 1912 1 4 . 1 1 74 74 VAL N N 74 122.218 122.218 121.784 0.434 19087 1913 1 4 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.097 -0.131 19087 1914 1 4 . 1 1 74 74 VAL C C 74 175.339 175.339 174.964 0.375 19087 1915 1 4 . 1 1 74 74 VAL CA C 74 63.871 63.871 62.351 1.520 19087 1916 1 4 . 1 1 74 74 VAL CB C 74 32.075 32.075 31.285 0.790 19087 1917 1 4 . 1 1 74 74 VAL H H 74 7.468 7.468 7.354 0.114 19087 1918 1 4 . 1 1 75 75 ALA N N 75 128.630 128.630 130.689 -2.059 19087 1919 1 4 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.446 -0.021 19087 1920 1 4 . 1 1 75 75 ALA C C 75 176.404 176.404 175.950 0.454 19087 1921 1 4 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.450 -0.023 19087 1922 1 4 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.871 0.600 19087 1923 1 4 . 1 1 75 75 ALA H H 75 8.581 8.581 8.579 0.002 19087 1924 1 4 . 1 1 76 76 ALA N N 76 120.481 120.481 121.950 -1.469 19087 1925 1 4 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.614 0.043 19087 1926 1 4 . 1 1 76 76 ALA C C 76 175.925 175.925 176.988 -1.063 19087 1927 1 4 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.033 -0.038 19087 1928 1 4 . 1 1 76 76 ALA CB C 76 22.365 22.365 19.678 2.687 19087 1929 1 4 . 1 1 76 76 ALA H H 76 7.438 7.438 8.162 -0.724 19087 1930 1 4 . 1 1 77 77 THR N N 77 121.464 121.464 117.001 4.463 19087 1931 1 4 . 1 1 77 77 THR HA H 77 4.734 4.734 4.313 0.421 19087 1932 1 4 . 1 1 77 77 THR C C 77 174.143 174.143 173.924 0.219 19087 1933 1 4 . 1 1 77 77 THR CA C 77 63.914 63.914 62.791 1.123 19087 1934 1 4 . 1 1 77 77 THR CB C 77 70.070 70.070 68.371 1.699 19087 1935 1 4 . 1 1 77 77 THR H H 77 8.390 8.390 8.364 0.026 19087 1936 1 4 . 1 1 78 78 THR N N 78 123.538 123.538 124.504 -0.966 19087 1937 1 4 . 1 1 78 78 THR HA H 78 4.644 4.644 4.684 -0.040 19087 1938 1 4 . 1 1 78 78 THR C C 78 181.684 181.684 172.786 8.898 19087 1939 1 4 . 1 1 78 78 THR CA C 78 62.511 62.511 61.765 0.746 19087 1940 1 4 . 1 1 78 78 THR CB C 78 72.846 72.846 72.614 0.232 19087 1941 1 4 . 1 1 78 78 THR H H 78 8.355 8.355 8.336 0.019 19087 1942 1 4 . 1 1 79 79 VAL N N 79 126.455 126.455 126.250 0.205 19087 1943 1 4 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.398 0.198 19087 1944 1 4 . 1 1 79 79 VAL C C 79 173.702 173.702 174.755 -1.053 19087 1945 1 4 . 1 1 79 79 VAL CA C 79 60.385 60.385 62.062 -1.677 19087 1946 1 4 . 1 1 79 79 VAL CB C 79 33.089 33.089 31.753 1.336 19087 1947 1 4 . 1 1 79 79 VAL H H 79 8.685 8.685 8.533 0.152 19087 1948 1 4 . 1 1 80 80 TYR N N 80 123.574 123.574 127.967 -4.393 19087 1949 1 4 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.228 1.172 19087 1950 1 4 . 1 1 80 80 TYR C C 80 176.410 176.410 175.396 1.014 19087 1951 1 4 . 1 1 80 80 TYR CA C 80 56.608 56.608 56.175 0.433 19087 1952 1 4 . 1 1 80 80 TYR CB C 80 42.567 42.567 38.907 3.659 19087 1953 1 4 . 1 1 80 80 TYR H H 80 9.702 9.702 8.971 0.731 19087 1954 1 4 . 1 1 81 81 TYR N N 81 117.754 117.754 119.705 -1.951 19087 1955 1 4 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.091 0.383 19087 1956 1 4 . 1 1 81 81 TYR C C 81 173.237 173.237 174.453 -1.216 19087 1957 1 4 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.280 0.218 19087 1958 1 4 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.493 1.756 19087 1959 1 4 . 1 1 81 81 TYR H H 81 8.221 8.221 8.238 -0.017 19087 1960 1 4 . 1 1 82 82 THR N N 82 111.056 111.056 116.605 -5.549 19087 1961 1 4 . 1 1 82 82 THR HA H 82 4.724 4.724 4.579 0.145 19087 1962 1 4 . 1 1 82 82 THR C C 82 174.521 174.521 174.331 0.190 19087 1963 1 4 . 1 1 82 82 THR CA C 82 60.896 60.896 60.237 0.659 19087 1964 1 4 . 1 1 82 82 THR CB C 82 71.506 71.506 70.369 1.137 19087 1965 1 4 . 1 1 82 82 THR H H 82 8.245 8.245 8.389 -0.144 19087 1966 1 4 . 1 1 83 83 GLU N N 83 117.058 117.058 120.615 -3.557 19087 1967 1 4 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.428 0.049 19087 1968 1 4 . 1 1 83 83 GLU C C 83 176.152 176.152 175.980 0.172 19087 1969 1 4 . 1 1 83 83 GLU CA C 83 57.179 57.179 56.363 0.816 19087 1970 1 4 . 1 1 83 83 GLU CB C 83 28.714 28.714 29.397 -0.683 19087 1971 1 4 . 1 1 83 83 GLU H H 83 8.772 8.772 8.721 0.051 19087 1972 1 4 . 1 1 84 84 VAL N N 84 123.039 123.039 121.596 1.443 19087 1973 1 4 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.823 0.071 19087 1974 1 4 . 1 1 84 84 VAL C C 84 177.170 177.170 176.412 0.758 19087 1975 1 4 . 1 1 84 84 VAL CA C 84 63.678 63.678 64.181 -0.504 19087 1976 1 4 . 1 1 84 84 VAL CB C 84 32.474 32.474 31.171 1.303 19087 1977 1 4 . 1 1 84 84 VAL H H 84 7.818 7.818 7.434 0.384 19087 1978 1 4 . 1 1 85 85 GLU N N 85 129.351 129.351 127.648 1.703 19087 1979 1 4 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.934 -0.042 19087 1980 1 4 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.246 0.759 19087 1981 1 4 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.972 0.551 19087 1982 1 4 . 1 1 85 85 GLU H H 85 8.796 8.796 8.821 -0.025 19087 1983 1 4 . 1 1 86 86 GLY C C 86 176.321 176.321 173.558 2.763 19087 1984 1 4 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.293 0.583 19087 1985 1 4 . 1 1 87 87 GLU N N 87 121.773 121.773 121.324 0.449 19087 1986 1 4 . 1 1 87 87 GLU HA H 87 3.948 3.948 4.181 -0.233 19087 1987 1 4 . 1 1 87 87 GLU C C 87 178.276 178.276 177.549 0.727 19087 1988 1 4 . 1 1 87 87 GLU CA C 87 61.762 61.762 58.316 3.446 19087 1989 1 4 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.917 0.179 19087 1990 1 4 . 1 1 87 87 GLU H H 87 8.133 8.133 8.007 0.126 19087 1991 1 4 . 1 1 88 88 ARG N N 88 121.466 121.466 116.796 4.670 19087 1992 1 4 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.692 -0.330 19087 1993 1 4 . 1 1 88 88 ARG C C 88 177.229 177.229 177.761 -0.532 19087 1994 1 4 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.665 0.828 19087 1995 1 4 . 1 1 88 88 ARG CB C 88 29.059 29.059 29.271 -0.212 19087 1996 1 4 . 1 1 88 88 ARG H H 88 9.132 9.132 8.300 0.832 19087 1997 1 4 . 1 1 89 89 ALA N N 89 119.527 119.527 121.073 -1.546 19087 1998 1 4 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.198 -0.015 19087 1999 1 4 . 1 1 89 89 ALA C C 89 181.949 181.949 179.077 2.872 19087 2000 1 4 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.594 0.688 19087 2001 1 4 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.161 -0.033 19087 2002 1 4 . 1 1 89 89 ALA H H 89 8.388 8.388 7.611 0.777 19087 2003 1 4 . 1 1 90 90 THR N N 90 115.279 115.279 113.141 2.138 19087 2004 1 4 . 1 1 90 90 THR HA H 90 4.146 4.146 4.175 -0.029 19087 2005 1 4 . 1 1 90 90 THR C C 90 175.118 175.118 175.907 -0.789 19087 2006 1 4 . 1 1 90 90 THR CA C 90 66.607 66.607 64.247 2.360 19087 2007 1 4 . 1 1 90 90 THR CB C 90 68.971 68.971 68.599 0.372 19087 2008 1 4 . 1 1 90 90 THR H H 90 7.640 7.640 7.697 -0.057 19087 2009 1 4 . 1 1 91 91 ALA N N 91 124.784 124.784 123.980 0.804 19087 2010 1 4 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.059 -0.290 19087 2011 1 4 . 1 1 91 91 ALA C C 91 178.546 178.546 178.640 -0.094 19087 2012 1 4 . 1 1 91 91 ALA CA C 91 55.552 55.552 54.952 0.600 19087 2013 1 4 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.466 0.787 19087 2014 1 4 . 1 1 91 91 ALA H H 91 9.095 9.095 7.507 1.588 19087 2015 1 4 . 1 1 92 92 ASP N N 92 118.310 118.310 120.142 -1.832 19087 2016 1 4 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.139 0.278 19087 2017 1 4 . 1 1 92 92 ASP C C 92 179.053 179.053 178.011 1.042 19087 2018 1 4 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.795 -0.153 19087 2019 1 4 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.591 -0.162 19087 2020 1 4 . 1 1 92 92 ASP H H 92 8.898 8.898 7.959 0.939 19087 2021 1 4 . 1 1 93 93 ALA N N 93 122.980 122.980 121.271 1.709 19087 2022 1 4 . 1 1 93 93 ALA HA H 93 4.274 4.274 3.936 0.338 19087 2023 1 4 . 1 1 93 93 ALA C C 93 180.933 180.933 179.463 1.470 19087 2024 1 4 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.129 0.446 19087 2025 1 4 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.694 -0.518 19087 2026 1 4 . 1 1 93 93 ALA H H 93 7.424 7.424 7.321 0.103 19087 2027 1 4 . 1 1 94 94 VAL N N 94 123.968 123.968 118.298 5.670 19087 2028 1 4 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.565 -0.621 19087 2029 1 4 . 1 1 94 94 VAL C C 94 178.269 178.269 178.223 0.046 19087 2030 1 4 . 1 1 94 94 VAL CA C 94 66.399 66.399 67.129 -0.730 19087 2031 1 4 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.571 -0.868 19087 2032 1 4 . 1 1 94 94 VAL H H 94 8.808 8.808 7.350 1.458 19087 2033 1 4 . 1 1 95 95 GLY N N 95 108.282 108.282 105.790 2.492 19087 2034 1 4 . 1 1 95 95 GLY C C 95 176.440 176.440 176.025 0.415 19087 2035 1 4 . 1 1 95 95 GLY CA C 95 47.919 47.919 46.972 0.947 19087 2036 1 4 . 1 1 95 95 GLY H H 95 9.355 9.355 8.393 0.962 19087 2037 1 4 . 1 1 96 96 ARG N N 96 120.852 120.852 119.629 1.223 19087 2038 1 4 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.241 -0.038 19087 2039 1 4 . 1 1 96 96 ARG C C 96 179.101 179.101 178.065 1.036 19087 2040 1 4 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.469 0.741 19087 2041 1 4 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.339 0.195 19087 2042 1 4 . 1 1 96 96 ARG H H 96 8.112 8.112 7.750 0.362 19087 2043 1 4 . 1 1 97 97 THR N N 97 117.170 117.170 114.395 2.775 19087 2044 1 4 . 1 1 97 97 THR HA H 97 3.986 3.986 4.165 -0.179 19087 2045 1 4 . 1 1 97 97 THR C C 97 175.451 175.451 175.346 0.105 19087 2046 1 4 . 1 1 97 97 THR CA C 97 66.867 66.867 64.549 2.318 19087 2047 1 4 . 1 1 97 97 THR CB C 97 68.205 68.205 69.092 -0.887 19087 2048 1 4 . 1 1 97 97 THR H H 97 7.854 7.854 7.268 0.586 19087 2049 1 4 . 1 1 98 98 LEU N N 98 115.294 115.294 121.116 -5.822 19087 2050 1 4 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.420 -0.115 19087 2051 1 4 . 1 1 98 98 LEU C C 98 177.537 177.537 177.421 0.116 19087 2052 1 4 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.157 -0.574 19087 2053 1 4 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.952 0.421 19087 2054 1 4 . 1 1 98 98 LEU H H 98 7.855 7.855 7.811 0.044 19087 2055 1 4 . 1 1 99 99 GLY N N 99 111.931 111.931 106.942 4.989 19087 2056 1 4 . 1 1 99 99 GLY C C 99 173.997 173.997 173.901 0.096 19087 2057 1 4 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.050 1.943 19087 2058 1 4 . 1 1 99 99 GLY H H 99 8.101 8.101 7.760 0.341 19087 2059 1 4 . 1 1 100 100 ALA N N 100 121.739 121.739 121.544 0.195 19087 2060 1 4 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.569 0.168 19087 2061 1 4 . 1 1 100 100 ALA C C 100 175.351 175.351 175.612 -0.261 19087 2062 1 4 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.644 -0.238 19087 2063 1 4 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.218 2.741 19087 2064 1 4 . 1 1 100 100 ALA H H 100 8.033 8.033 7.536 0.497 19087 2065 1 4 . 1 1 101 101 ALA N N 101 122.895 122.895 124.252 -1.357 19087 2066 1 4 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.358 -0.149 19087 2067 1 4 . 1 1 101 101 ALA C C 101 175.179 175.179 176.432 -1.253 19087 2068 1 4 . 1 1 101 101 ALA CA C 101 52.737 52.737 52.108 0.629 19087 2069 1 4 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.382 0.432 19087 2070 1 4 . 1 1 101 101 ALA H H 101 7.782 7.782 8.649 -0.867 19087 2071 1 4 . 1 1 102 102 VAL N N 102 120.035 120.035 120.752 -0.717 19087 2072 1 4 . 1 1 102 102 VAL HA H 102 5.054 5.054 4.906 0.148 19087 2073 1 4 . 1 1 102 102 VAL C C 102 176.587 176.587 175.599 0.988 19087 2074 1 4 . 1 1 102 102 VAL CA C 102 60.988 60.988 61.011 -0.024 19087 2075 1 4 . 1 1 102 102 VAL CB C 102 33.725 33.725 31.813 1.912 19087 2076 1 4 . 1 1 102 102 VAL H H 102 7.872 7.872 8.043 -0.171 19087 2077 1 4 . 1 1 103 103 GLU N N 103 126.469 126.469 127.196 -0.727 19087 2078 1 4 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.531 0.348 19087 2079 1 4 . 1 1 103 103 GLU C C 103 174.343 174.343 175.367 -1.024 19087 2080 1 4 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.220 0.131 19087 2081 1 4 . 1 1 103 103 GLU CB C 103 35.595 35.595 32.663 2.932 19087 2082 1 4 . 1 1 103 103 GLU H H 103 9.215 9.215 8.463 0.752 19087 2083 1 4 . 1 1 104 104 LEU N N 104 123.109 123.109 119.883 3.226 19087 2084 1 4 . 1 1 104 104 LEU HA H 104 3.591 3.591 3.798 -0.207 19087 2085 1 4 . 1 1 104 104 LEU C C 104 178.379 178.379 179.090 -0.711 19087 2086 1 4 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.537 -0.617 19087 2087 1 4 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.312 0.598 19087 2088 1 4 . 1 1 104 104 LEU H H 104 8.273 8.273 8.214 0.059 19087 2089 1 4 . 1 1 105 105 ARG N N 105 119.790 119.790 120.041 -0.251 19087 2090 1 4 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.038 0.223 19087 2091 1 4 . 1 1 105 105 ARG C C 105 177.043 177.043 176.442 0.601 19087 2092 1 4 . 1 1 105 105 ARG CA C 105 59.310 59.310 58.542 0.768 19087 2093 1 4 . 1 1 105 105 ARG CB C 105 32.077 32.077 30.186 1.891 19087 2094 1 4 . 1 1 105 105 ARG H H 105 8.300 8.300 7.992 0.308 19087 2095 1 4 . 1 1 106 106 LEU N N 106 122.431 122.431 115.372 7.059 19087 2096 1 4 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.030 0.368 19087 2097 1 4 . 1 1 106 106 LEU CA C 106 54.701 54.701 54.513 0.188 19087 2098 1 4 . 1 1 106 106 LEU CB C 106 42.469 42.469 40.498 1.971 19087 2099 1 4 . 1 1 106 106 LEU H H 106 8.026 8.026 7.858 0.168 19087 2100 1 4 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.158 0.081 19087 2101 1 4 . 1 1 107 107 PRO C C 107 179.627 179.627 178.115 1.512 19087 2102 1 4 . 1 1 107 107 PRO CA C 107 65.898 65.898 65.375 0.523 19087 2103 1 4 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.759 -0.240 19087 2104 1 4 . 1 1 108 108 GLU N N 108 116.744 116.744 118.089 -1.345 19087 2105 1 4 . 1 1 108 108 GLU HA H 108 4.098 4.098 3.890 0.208 19087 2106 1 4 . 1 1 108 108 GLU C C 108 176.957 176.957 178.536 -1.579 19087 2107 1 4 . 1 1 108 108 GLU CA C 108 59.584 59.584 59.272 0.312 19087 2108 1 4 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.407 0.750 19087 2109 1 4 . 1 1 108 108 GLU H H 108 9.605 9.605 8.195 1.410 19087 2110 1 4 . 1 1 109 109 LEU N N 109 116.575 116.575 118.695 -2.120 19087 2111 1 4 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.032 0.498 19087 2112 1 4 . 1 1 109 109 LEU C C 109 177.894 177.894 177.960 -0.066 19087 2113 1 4 . 1 1 109 109 LEU CA C 109 53.489 53.489 56.725 -3.236 19087 2114 1 4 . 1 1 109 109 LEU CB C 109 42.241 42.241 42.038 0.203 19087 2115 1 4 . 1 1 109 109 LEU H H 109 7.630 7.630 7.467 0.163 19087 2116 1 4 . 1 1 110 110 SER N N 110 117.031 117.031 111.734 5.297 19087 2117 1 4 . 1 1 110 110 SER HA H 110 3.943 3.943 4.326 -0.383 19087 2118 1 4 . 1 1 110 110 SER C C 110 174.273 174.273 175.102 -0.829 19087 2119 1 4 . 1 1 110 110 SER CA C 110 59.543 59.543 59.984 -0.441 19087 2120 1 4 . 1 1 110 110 SER CB C 110 63.609 63.609 63.178 0.431 19087 2121 1 4 . 1 1 110 110 SER H H 110 7.757 7.757 7.435 0.322 19087 2122 1 4 . 1 1 111 111 ASP N N 111 117.804 117.804 120.258 -2.454 19087 2123 1 4 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.542 0.040 19087 2124 1 4 . 1 1 111 111 ASP C C 111 176.760 176.760 175.859 0.901 19087 2125 1 4 . 1 1 111 111 ASP CA C 111 53.976 53.976 55.883 -1.907 19087 2126 1 4 . 1 1 111 111 ASP CB C 111 40.183 40.183 41.718 -1.535 19087 2127 1 4 . 1 1 111 111 ASP H H 111 8.315 8.315 7.590 0.725 19087 2128 1 4 . 1 1 112 112 GLN N N 112 119.300 119.300 117.722 1.578 19087 2129 1 4 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.519 -0.219 19087 2130 1 4 . 1 1 112 112 GLN CA C 112 55.014 55.014 52.752 2.262 19087 2131 1 4 . 1 1 112 112 GLN CB C 112 26.568 26.568 28.429 -1.861 19087 2132 1 4 . 1 1 112 112 GLN H H 112 7.212 7.212 7.323 -0.111 19087 2133 1 4 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.260 0.267 19087 2134 1 4 . 1 1 114 114 PRO C C 114 175.464 175.464 176.765 -1.301 19087 2135 1 4 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.550 0.519 19087 2136 1 4 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.263 0.184 19087 2137 1 4 . 1 1 115 115 GLY N N 115 113.817 113.817 105.444 8.373 19087 2138 1 4 . 1 1 115 115 GLY C C 115 173.552 173.552 173.266 0.286 19087 2139 1 4 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.296 -0.343 19087 2140 1 4 . 1 1 115 115 GLY H H 115 8.443 8.443 8.039 0.404 19087 2141 1 4 . 1 1 116 116 VAL N N 116 122.049 122.049 121.957 0.092 19087 2142 1 4 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.120 0.011 19087 2143 1 4 . 1 1 116 116 VAL C C 116 174.533 174.533 175.339 -0.806 19087 2144 1 4 . 1 1 116 116 VAL CA C 116 63.916 63.916 63.599 0.317 19087 2145 1 4 . 1 1 116 116 VAL CB C 116 32.342 32.342 32.682 -0.340 19087 2146 1 4 . 1 1 116 116 VAL H H 116 8.957 8.957 8.159 0.798 19087 2147 1 4 . 1 1 117 117 ILE N N 117 126.102 126.102 126.943 -0.841 19087 2148 1 4 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.328 -0.389 19087 2149 1 4 . 1 1 117 117 ILE C C 117 174.181 174.181 174.462 -0.281 19087 2150 1 4 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.953 1.117 19087 2151 1 4 . 1 1 117 117 ILE CB C 117 42.368 42.368 38.941 3.427 19087 2152 1 4 . 1 1 117 117 ILE H H 117 7.863 7.863 8.497 -0.634 19087 2153 1 4 . 1 1 118 118 VAL N N 118 127.665 127.665 128.736 -1.071 19087 2154 1 4 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.403 0.521 19087 2155 1 4 . 1 1 118 118 VAL C C 118 175.224 175.224 174.287 0.937 19087 2156 1 4 . 1 1 118 118 VAL CA C 118 60.580 60.580 60.917 -0.337 19087 2157 1 4 . 1 1 118 118 VAL CB C 118 33.945 33.945 32.510 1.435 19087 2158 1 4 . 1 1 118 118 VAL H H 118 9.348 9.348 8.462 0.886 19087 2159 1 4 . 1 1 119 119 VAL N N 119 121.828 121.828 130.808 -8.980 19087 2160 1 4 . 1 1 119 119 VAL HA H 119 5.563 5.563 4.873 0.690 19087 2161 1 4 . 1 1 119 119 VAL C C 119 174.425 174.425 175.247 -0.822 19087 2162 1 4 . 1 1 119 119 VAL CA C 119 58.691 58.691 61.904 -3.213 19087 2163 1 4 . 1 1 119 119 VAL CB C 119 32.886 32.886 33.249 -0.363 19087 2164 1 4 . 1 1 119 119 VAL H H 119 9.096 9.096 8.618 0.478 19087 2165 1 4 . 1 1 120 120 VAL N N 120 120.260 120.260 127.916 -7.656 19087 2166 1 4 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.499 0.319 19087 2167 1 4 . 1 1 120 120 VAL C C 120 175.649 175.649 174.498 1.151 19087 2168 1 4 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.943 -0.312 19087 2169 1 4 . 1 1 120 120 VAL CB C 120 34.550 34.550 34.836 -0.285 19087 2170 1 4 . 1 1 120 120 VAL H H 120 8.809 8.809 8.976 -0.167 19087 2171 1 4 . 1 1 121 121 THR N N 121 114.564 114.564 120.411 -5.847 19087 2172 1 4 . 1 1 121 121 THR HA H 121 4.428 4.428 4.510 -0.082 19087 2173 1 4 . 1 1 121 121 THR C C 121 173.833 173.833 174.390 -0.557 19087 2174 1 4 . 1 1 121 121 THR CA C 121 60.834 60.834 60.724 0.110 19087 2175 1 4 . 1 1 121 121 THR CB C 121 69.413 69.413 70.818 -1.405 19087 2176 1 4 . 1 1 121 121 THR H H 121 7.859 7.859 8.486 -0.627 19087 2177 1 5 . 1 1 6 6 SER C C 6 174.665 174.665 175.727 -1.062 19087 2178 1 5 . 1 1 6 6 SER CA C 6 58.745 58.745 58.579 0.166 19087 2179 1 5 . 1 1 6 6 SER CB C 6 63.870 63.870 63.853 0.017 19087 2180 1 5 . 1 1 7 7 GLU N N 7 122.278 122.278 122.127 0.151 19087 2181 1 5 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.161 0.567 19087 2182 1 5 . 1 1 7 7 GLU C C 7 176.279 176.279 176.634 -0.355 19087 2183 1 5 . 1 1 7 7 GLU CA C 7 56.894 56.894 58.237 -1.343 19087 2184 1 5 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.363 0.845 19087 2185 1 5 . 1 1 7 7 GLU H H 7 8.475 8.475 8.432 0.043 19087 2186 1 5 . 1 1 8 8 ASP N N 8 120.753 120.753 117.976 2.777 19087 2187 1 5 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.647 0.062 19087 2188 1 5 . 1 1 8 8 ASP C C 8 176.070 176.070 175.353 0.717 19087 2189 1 5 . 1 1 8 8 ASP CA C 8 54.366 54.366 53.016 1.350 19087 2190 1 5 . 1 1 8 8 ASP CB C 8 41.459 41.459 40.172 1.287 19087 2191 1 5 . 1 1 8 8 ASP H H 8 8.206 8.206 8.134 0.072 19087 2192 1 5 . 1 1 9 9 ASP N N 9 121.430 121.430 122.098 -0.668 19087 2193 1 5 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.593 0.110 19087 2194 1 5 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.501 -0.057 19087 2195 1 5 . 1 1 9 9 ASP CB C 9 41.220 41.220 40.361 0.859 19087 2196 1 5 . 1 1 9 9 ASP H H 9 8.256 8.256 7.660 0.596 19087 2197 1 5 . 1 1 11 11 SER C C 11 174.517 174.517 173.070 1.447 19087 2198 1 5 . 1 1 11 11 SER CA C 11 59.364 59.364 58.780 0.584 19087 2199 1 5 . 1 1 11 11 SER CB C 11 63.989 63.989 63.644 0.345 19087 2200 1 5 . 1 1 12 12 ALA N N 12 125.500 125.500 127.281 -1.781 19087 2201 1 5 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.680 -0.324 19087 2202 1 5 . 1 1 12 12 ALA C C 12 177.811 177.811 175.269 2.542 19087 2203 1 5 . 1 1 12 12 ALA CA C 12 52.815 52.815 51.981 0.834 19087 2204 1 5 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.106 -0.902 19087 2205 1 5 . 1 1 12 12 ALA H H 12 8.087 8.087 8.622 -0.535 19087 2206 1 5 . 1 1 13 13 ILE N N 13 119.045 119.045 121.012 -1.967 19087 2207 1 5 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.325 -0.132 19087 2208 1 5 . 1 1 13 13 ILE CA C 13 61.163 61.163 61.527 -0.364 19087 2209 1 5 . 1 1 13 13 ILE CB C 13 38.721 38.721 39.347 -0.626 19087 2210 1 5 . 1 1 13 13 ILE H H 13 7.938 7.938 8.215 -0.277 19087 2211 1 5 . 1 1 14 14 SER N N 14 119.662 119.662 123.435 -3.773 19087 2212 1 5 . 1 1 14 14 SER H H 14 8.339 8.339 8.357 -0.018 19087 2213 1 5 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.984 -0.698 19087 2214 1 5 . 1 1 21 21 ALA C C 21 177.013 177.013 175.640 1.373 19087 2215 1 5 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.082 0.503 19087 2216 1 5 . 1 1 21 21 ALA CB C 21 19.339 19.339 20.887 -1.548 19087 2217 1 5 . 1 1 22 22 ALA N N 22 124.579 124.579 125.445 -0.866 19087 2218 1 5 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.630 0.095 19087 2219 1 5 . 1 1 22 22 ALA CA C 22 50.310 50.310 50.844 -0.534 19087 2220 1 5 . 1 1 22 22 ALA CB C 22 18.232 18.232 18.421 -0.189 19087 2221 1 5 . 1 1 22 22 ALA H H 22 8.182 8.182 8.336 -0.154 19087 2222 1 5 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.354 -0.219 19087 2223 1 5 . 1 1 28 28 VAL C C 28 175.779 175.779 175.246 0.533 19087 2224 1 5 . 1 1 28 28 VAL CA C 28 62.167 62.167 61.873 0.294 19087 2225 1 5 . 1 1 28 28 VAL CB C 28 32.681 32.681 33.201 -0.520 19087 2226 1 5 . 1 1 29 29 LYS N N 29 126.858 126.858 128.111 -1.253 19087 2227 1 5 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.722 -0.010 19087 2228 1 5 . 1 1 29 29 LYS CA C 29 54.135 54.135 54.195 -0.060 19087 2229 1 5 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.464 0.182 19087 2230 1 5 . 1 1 29 29 LYS H H 29 8.346 8.346 8.319 0.027 19087 2231 1 5 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.279 0.123 19087 2232 1 5 . 1 1 30 30 PRO C C 30 176.435 176.435 175.793 0.642 19087 2233 1 5 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.688 0.088 19087 2234 1 5 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.153 0.001 19087 2235 1 5 . 1 1 31 31 ALA N N 31 124.680 124.680 122.840 1.840 19087 2236 1 5 . 1 1 31 31 ALA HA H 31 4.347 4.347 3.865 0.482 19087 2237 1 5 . 1 1 31 31 ALA C C 31 176.860 176.860 176.587 0.273 19087 2238 1 5 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.675 0.641 19087 2239 1 5 . 1 1 31 31 ALA CB C 31 19.398 19.398 19.755 -0.357 19087 2240 1 5 . 1 1 31 31 ALA H H 31 8.324 8.324 8.275 0.049 19087 2241 1 5 . 1 1 32 32 ALA N N 32 125.011 125.011 122.758 2.253 19087 2242 1 5 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.595 0.141 19087 2243 1 5 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.530 -0.043 19087 2244 1 5 . 1 1 32 32 ALA CB C 32 18.203 18.203 19.552 -1.349 19087 2245 1 5 . 1 1 32 32 ALA H H 32 8.246 8.246 7.850 0.396 19087 2246 1 5 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.850 -0.384 19087 2247 1 5 . 1 1 33 33 PRO C C 33 176.834 176.834 176.020 0.814 19087 2248 1 5 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.950 -0.125 19087 2249 1 5 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.409 -0.414 19087 2250 1 5 . 1 1 34 34 ARG N N 34 121.170 121.170 122.648 -1.478 19087 2251 1 5 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.509 -0.123 19087 2252 1 5 . 1 1 34 34 ARG C C 34 175.853 175.853 175.137 0.716 19087 2253 1 5 . 1 1 34 34 ARG CA C 34 55.912 55.912 55.808 0.104 19087 2254 1 5 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.635 0.037 19087 2255 1 5 . 1 1 34 34 ARG H H 34 8.349 8.349 9.044 -0.695 19087 2256 1 5 . 1 1 35 35 ALA N N 35 124.878 124.878 120.875 4.003 19087 2257 1 5 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.537 0.075 19087 2258 1 5 . 1 1 35 35 ALA C C 35 176.170 176.170 174.682 1.488 19087 2259 1 5 . 1 1 35 35 ALA CA C 35 51.566 51.566 50.399 1.167 19087 2260 1 5 . 1 1 35 35 ALA CB C 35 20.722 20.722 20.980 -0.258 19087 2261 1 5 . 1 1 35 35 ALA H H 35 8.008 8.008 7.597 0.411 19087 2262 1 5 . 1 1 36 36 GLU N N 36 119.776 119.776 119.101 0.675 19087 2263 1 5 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.695 -0.264 19087 2264 1 5 . 1 1 36 36 GLU C C 36 174.618 174.618 174.666 -0.048 19087 2265 1 5 . 1 1 36 36 GLU CA C 36 56.472 56.472 55.288 1.184 19087 2266 1 5 . 1 1 36 36 GLU CB C 36 31.124 31.124 32.573 -1.449 19087 2267 1 5 . 1 1 36 36 GLU H H 36 8.495 8.495 8.601 -0.106 19087 2268 1 5 . 1 1 37 37 VAL N N 37 119.808 119.808 123.120 -3.312 19087 2269 1 5 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.751 0.151 19087 2270 1 5 . 1 1 37 37 VAL C C 37 174.285 174.285 174.067 0.218 19087 2271 1 5 . 1 1 37 37 VAL CA C 37 60.639 60.639 61.115 -0.476 19087 2272 1 5 . 1 1 37 37 VAL CB C 37 34.612 34.612 34.550 0.062 19087 2273 1 5 . 1 1 37 37 VAL H H 37 8.494 8.494 8.440 0.054 19087 2274 1 5 . 1 1 38 38 ARG N N 38 124.534 124.534 125.997 -1.463 19087 2275 1 5 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.198 -0.272 19087 2276 1 5 . 1 1 38 38 ARG C C 38 174.239 174.239 175.050 -0.811 19087 2277 1 5 . 1 1 38 38 ARG CA C 38 55.092 55.092 54.127 0.965 19087 2278 1 5 . 1 1 38 38 ARG CB C 38 34.190 34.190 32.654 1.536 19087 2279 1 5 . 1 1 38 38 ARG H H 38 8.652 8.652 8.792 -0.140 19087 2280 1 5 . 1 1 39 39 VAL N N 39 121.231 121.231 125.726 -4.495 19087 2281 1 5 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.476 0.322 19087 2282 1 5 . 1 1 39 39 VAL C C 39 173.357 173.357 174.043 -0.686 19087 2283 1 5 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.720 -1.082 19087 2284 1 5 . 1 1 39 39 VAL CB C 39 34.294 34.294 32.553 1.741 19087 2285 1 5 . 1 1 39 39 VAL H H 39 7.934 7.934 8.392 -0.458 19087 2286 1 5 . 1 1 40 40 TYR N N 40 122.262 122.262 126.081 -3.819 19087 2287 1 5 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.021 0.133 19087 2288 1 5 . 1 1 40 40 TYR C C 40 175.124 175.124 174.768 0.356 19087 2289 1 5 . 1 1 40 40 TYR CA C 40 55.540 55.540 55.856 -0.316 19087 2290 1 5 . 1 1 40 40 TYR CB C 40 42.223 42.223 41.538 0.685 19087 2291 1 5 . 1 1 40 40 TYR H H 40 9.343 9.343 8.862 0.481 19087 2292 1 5 . 1 1 41 41 ASN N N 41 121.684 121.684 121.641 0.043 19087 2293 1 5 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.234 -0.202 19087 2294 1 5 . 1 1 41 41 ASN C C 41 176.301 176.301 176.189 0.112 19087 2295 1 5 . 1 1 41 41 ASN CA C 41 52.635 52.635 52.733 -0.098 19087 2296 1 5 . 1 1 41 41 ASN CB C 41 39.836 39.836 41.275 -1.439 19087 2297 1 5 . 1 1 41 41 ASN H H 41 9.287 9.287 8.429 0.858 19087 2298 1 5 . 1 1 42 42 ILE N N 42 119.462 119.462 125.470 -6.008 19087 2299 1 5 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.289 1.161 19087 2300 1 5 . 1 1 42 42 ILE C C 42 176.450 176.450 177.000 -0.550 19087 2301 1 5 . 1 1 42 42 ILE CA C 42 60.513 60.513 63.595 -3.082 19087 2302 1 5 . 1 1 42 42 ILE CB C 42 38.597 38.597 38.697 -0.100 19087 2303 1 5 . 1 1 42 42 ILE H H 42 8.541 8.541 8.485 0.056 19087 2304 1 5 . 1 1 43 43 SER N N 43 118.212 118.212 113.842 4.370 19087 2305 1 5 . 1 1 43 43 SER HA H 43 4.729 4.729 4.560 0.169 19087 2306 1 5 . 1 1 43 43 SER CA C 43 58.598 58.598 58.909 -0.311 19087 2307 1 5 . 1 1 43 43 SER CB C 43 66.262 66.262 64.780 1.482 19087 2308 1 5 . 1 1 43 43 SER H H 43 8.142 8.142 7.996 0.146 19087 2309 1 5 . 1 1 44 44 GLY C C 44 174.414 174.414 175.134 -0.720 19087 2310 1 5 . 1 1 44 44 GLY CA C 44 45.379 45.379 46.208 -0.829 19087 2311 1 5 . 1 1 45 45 THR N N 45 116.371 116.371 114.458 1.913 19087 2312 1 5 . 1 1 45 45 THR HA H 45 4.384 4.384 4.220 0.164 19087 2313 1 5 . 1 1 45 45 THR CA C 45 61.814 61.814 63.767 -1.953 19087 2314 1 5 . 1 1 45 45 THR CB C 45 69.787 69.787 69.646 0.141 19087 2315 1 5 . 1 1 45 45 THR H H 45 8.298 8.298 8.090 0.208 19087 2316 1 5 . 1 1 47 47 GLY C C 47 175.691 175.691 174.912 0.779 19087 2317 1 5 . 1 1 47 47 GLY CA C 47 46.191 46.191 45.888 0.303 19087 2318 1 5 . 1 1 48 48 ALA N N 48 121.957 121.957 124.891 -2.934 19087 2319 1 5 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.116 -0.087 19087 2320 1 5 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.667 0.735 19087 2321 1 5 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.501 -0.009 19087 2322 1 5 . 1 1 48 48 ALA H H 48 7.511 7.511 8.199 -0.688 19087 2323 1 5 . 1 1 49 49 ALA HA H 49 3.984 3.984 4.038 -0.054 19087 2324 1 5 . 1 1 49 49 ALA C C 49 178.073 178.073 179.780 -1.707 19087 2325 1 5 . 1 1 49 49 ALA CA C 49 54.861 54.861 55.080 -0.219 19087 2326 1 5 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.225 0.464 19087 2327 1 5 . 1 1 50 50 ALA N N 50 122.654 122.654 120.415 2.239 19087 2328 1 5 . 1 1 50 50 ALA HA H 50 3.989 3.989 3.923 0.066 19087 2329 1 5 . 1 1 50 50 ALA C C 50 179.642 179.642 179.171 0.471 19087 2330 1 5 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.597 1.254 19087 2331 1 5 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.301 -0.513 19087 2332 1 5 . 1 1 50 50 ALA H H 50 7.965 7.965 8.225 -0.260 19087 2333 1 5 . 1 1 51 51 ARG N N 51 116.659 116.659 118.289 -1.630 19087 2334 1 5 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.385 -0.194 19087 2335 1 5 . 1 1 51 51 ARG C C 51 179.931 179.931 178.755 1.176 19087 2336 1 5 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.353 1.159 19087 2337 1 5 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.912 0.551 19087 2338 1 5 . 1 1 51 51 ARG H H 51 7.982 7.982 7.977 0.005 19087 2339 1 5 . 1 1 52 52 THR N N 52 117.745 117.745 111.993 5.752 19087 2340 1 5 . 1 1 52 52 THR HA H 52 4.162 4.162 4.204 -0.042 19087 2341 1 5 . 1 1 52 52 THR C C 52 175.626 175.626 175.804 -0.178 19087 2342 1 5 . 1 1 52 52 THR CA C 52 68.565 68.565 65.113 3.452 19087 2343 1 5 . 1 1 52 52 THR CB C 52 70.787 70.787 68.672 2.115 19087 2344 1 5 . 1 1 52 52 THR H H 52 7.661 7.661 7.964 -0.303 19087 2345 1 5 . 1 1 53 53 ALA N N 53 123.939 123.939 124.072 -0.133 19087 2346 1 5 . 1 1 53 53 ALA HA H 53 3.886 3.886 4.213 -0.327 19087 2347 1 5 . 1 1 53 53 ALA C C 53 179.013 179.013 179.112 -0.099 19087 2348 1 5 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.407 1.790 19087 2349 1 5 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.486 0.231 19087 2350 1 5 . 1 1 53 53 ALA H H 53 8.805 8.805 7.209 1.596 19087 2351 1 5 . 1 1 54 54 ASP N N 54 118.351 118.351 118.952 -0.601 19087 2352 1 5 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.286 0.146 19087 2353 1 5 . 1 1 54 54 ASP C C 54 179.376 179.376 178.463 0.913 19087 2354 1 5 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.994 0.013 19087 2355 1 5 . 1 1 54 54 ASP CB C 54 40.242 40.242 40.537 -0.295 19087 2356 1 5 . 1 1 54 54 ASP H H 54 8.327 8.327 7.960 0.367 19087 2357 1 5 . 1 1 55 55 ARG N N 55 121.120 121.120 119.535 1.585 19087 2358 1 5 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.131 0.044 19087 2359 1 5 . 1 1 55 55 ARG C C 55 179.550 179.550 178.553 0.997 19087 2360 1 5 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.828 0.457 19087 2361 1 5 . 1 1 55 55 ARG CB C 55 30.320 30.320 29.757 0.563 19087 2362 1 5 . 1 1 55 55 ARG H H 55 7.723 7.723 7.837 -0.114 19087 2363 1 5 . 1 1 56 56 LEU N N 56 118.659 118.659 119.603 -0.944 19087 2364 1 5 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.152 0.180 19087 2365 1 5 . 1 1 56 56 LEU C C 56 179.305 179.305 178.659 0.646 19087 2366 1 5 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.857 -0.420 19087 2367 1 5 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.875 -0.588 19087 2368 1 5 . 1 1 56 56 LEU H H 56 8.215 8.215 7.674 0.541 19087 2369 1 5 . 1 1 57 57 LYS N N 57 122.713 122.713 119.380 3.333 19087 2370 1 5 . 1 1 57 57 LYS HA H 57 4.513 4.513 3.958 0.555 19087 2371 1 5 . 1 1 57 57 LYS C C 57 181.436 181.436 178.828 2.608 19087 2372 1 5 . 1 1 57 57 LYS CA C 57 60.004 60.004 59.208 0.796 19087 2373 1 5 . 1 1 57 57 LYS CB C 57 32.437 32.437 32.502 -0.065 19087 2374 1 5 . 1 1 57 57 LYS H H 57 8.914 8.914 7.603 1.311 19087 2375 1 5 . 1 1 58 58 ALA N N 58 122.423 122.423 121.425 0.998 19087 2376 1 5 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.198 0.012 19087 2377 1 5 . 1 1 58 58 ALA C C 58 178.516 178.516 179.132 -0.616 19087 2378 1 5 . 1 1 58 58 ALA CA C 58 55.069 55.069 54.400 0.669 19087 2379 1 5 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.402 -0.493 19087 2380 1 5 . 1 1 58 58 ALA H H 58 8.026 8.026 7.832 0.194 19087 2381 1 5 . 1 1 59 59 ALA N N 59 118.347 118.347 119.029 -0.682 19087 2382 1 5 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.096 0.390 19087 2383 1 5 . 1 1 59 59 ALA C C 59 176.797 176.797 177.623 -0.826 19087 2384 1 5 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.570 -0.812 19087 2385 1 5 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.664 -0.295 19087 2386 1 5 . 1 1 59 59 ALA H H 59 7.413 7.413 7.790 -0.377 19087 2387 1 5 . 1 1 60 60 GLY N N 60 104.918 104.918 105.059 -0.141 19087 2388 1 5 . 1 1 60 60 GLY C C 60 174.741 174.741 174.155 0.586 19087 2389 1 5 . 1 1 60 60 GLY CA C 60 45.236 45.236 45.329 -0.093 19087 2390 1 5 . 1 1 60 60 GLY H H 60 7.694 7.694 7.682 0.012 19087 2391 1 5 . 1 1 61 61 PHE N N 61 118.862 118.862 121.420 -2.558 19087 2392 1 5 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.975 -0.480 19087 2393 1 5 . 1 1 61 61 PHE C C 61 175.204 175.204 175.511 -0.307 19087 2394 1 5 . 1 1 61 61 PHE CA C 61 58.483 58.483 56.334 2.149 19087 2395 1 5 . 1 1 61 61 PHE CB C 61 39.163 39.163 39.591 -0.428 19087 2396 1 5 . 1 1 61 61 PHE H H 61 7.879 7.879 7.456 0.423 19087 2397 1 5 . 1 1 62 62 THR N N 62 121.319 121.319 111.835 9.484 19087 2398 1 5 . 1 1 62 62 THR HA H 62 4.303 4.303 4.018 0.285 19087 2399 1 5 . 1 1 62 62 THR C C 62 173.073 173.073 174.828 -1.755 19087 2400 1 5 . 1 1 62 62 THR CA C 62 69.389 69.389 62.956 6.433 19087 2401 1 5 . 1 1 62 62 THR CB C 62 62.478 62.478 68.714 -6.236 19087 2402 1 5 . 1 1 62 62 THR H H 62 9.493 9.493 8.508 0.985 19087 2403 1 5 . 1 1 63 63 VAL N N 63 128.406 128.406 123.470 4.936 19087 2404 1 5 . 1 1 63 63 VAL HA H 63 4.660 4.660 3.978 0.682 19087 2405 1 5 . 1 1 63 63 VAL C C 63 177.267 177.267 176.147 1.120 19087 2406 1 5 . 1 1 63 63 VAL CA C 63 60.099 60.099 62.821 -2.721 19087 2407 1 5 . 1 1 63 63 VAL CB C 63 32.572 32.572 29.556 3.016 19087 2408 1 5 . 1 1 63 63 VAL H H 63 8.293 8.293 8.479 -0.186 19087 2409 1 5 . 1 1 64 64 THR N N 64 118.495 118.495 125.821 -7.326 19087 2410 1 5 . 1 1 64 64 THR HA H 64 4.350 4.350 5.040 -0.690 19087 2411 1 5 . 1 1 64 64 THR CA C 64 62.182 62.182 62.342 -0.160 19087 2412 1 5 . 1 1 64 64 THR CB C 64 69.143 69.143 68.869 0.274 19087 2413 1 5 . 1 1 64 64 THR H H 64 8.770 8.770 8.033 0.737 19087 2414 1 5 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.938 -0.637 19087 2415 1 5 . 1 1 65 65 ASP C C 65 173.778 173.778 174.309 -0.531 19087 2416 1 5 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.897 0.390 19087 2417 1 5 . 1 1 65 65 ASP CB C 65 44.018 44.018 43.572 0.446 19087 2418 1 5 . 1 1 66 66 VAL N N 66 121.705 121.705 119.887 1.818 19087 2419 1 5 . 1 1 66 66 VAL HA H 66 4.863 4.863 4.808 0.055 19087 2420 1 5 . 1 1 66 66 VAL C C 66 176.234 176.234 176.021 0.213 19087 2421 1 5 . 1 1 66 66 VAL CA C 66 60.597 60.597 60.518 0.079 19087 2422 1 5 . 1 1 66 66 VAL CB C 66 34.120 34.120 35.459 -1.339 19087 2423 1 5 . 1 1 66 66 VAL H H 66 7.849 7.849 8.364 -0.515 19087 2424 1 5 . 1 1 67 67 GLY N N 67 112.050 112.050 114.849 -2.799 19087 2425 1 5 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.629 -0.011 19087 2426 1 5 . 1 1 67 67 GLY H H 67 8.151 8.151 8.730 -0.579 19087 2427 1 5 . 1 1 68 68 ASN C C 68 173.771 173.771 173.696 0.075 19087 2428 1 5 . 1 1 68 68 ASN CA C 68 53.062 53.062 52.939 0.123 19087 2429 1 5 . 1 1 68 68 ASN CB C 68 39.832 39.832 41.880 -2.048 19087 2430 1 5 . 1 1 69 69 LEU N N 69 121.003 121.003 121.756 -0.753 19087 2431 1 5 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.679 -0.142 19087 2432 1 5 . 1 1 69 69 LEU C C 69 174.751 174.751 174.527 0.224 19087 2433 1 5 . 1 1 69 69 LEU CA C 69 53.925 53.925 53.696 0.229 19087 2434 1 5 . 1 1 69 69 LEU CB C 69 47.313 47.313 45.873 1.440 19087 2435 1 5 . 1 1 69 69 LEU H H 69 8.276 8.276 8.648 -0.372 19087 2436 1 5 . 1 1 70 70 SER N N 70 116.269 116.269 119.599 -3.330 19087 2437 1 5 . 1 1 70 70 SER C C 70 173.777 173.777 173.856 -0.079 19087 2438 1 5 . 1 1 70 70 SER CA C 70 56.923 56.923 57.918 -0.995 19087 2439 1 5 . 1 1 70 70 SER CB C 70 63.219 63.219 62.754 0.465 19087 2440 1 5 . 1 1 70 70 SER H H 70 8.122 8.122 8.535 -0.413 19087 2441 1 5 . 1 1 71 71 LEU N N 71 127.999 127.999 127.360 0.639 19087 2442 1 5 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.930 -0.174 19087 2443 1 5 . 1 1 71 71 LEU CA C 71 52.165 52.165 52.029 0.136 19087 2444 1 5 . 1 1 71 71 LEU CB C 71 44.179 44.179 42.801 1.378 19087 2445 1 5 . 1 1 71 71 LEU H H 71 8.293 8.293 7.961 0.332 19087 2446 1 5 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.455 -0.095 19087 2447 1 5 . 1 1 72 72 PRO C C 72 176.922 176.922 177.141 -0.219 19087 2448 1 5 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.159 0.085 19087 2449 1 5 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.994 0.472 19087 2450 1 5 . 1 1 73 73 ASP N N 73 115.106 115.106 119.345 -4.239 19087 2451 1 5 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.497 0.061 19087 2452 1 5 . 1 1 73 73 ASP C C 73 175.809 175.809 175.747 0.062 19087 2453 1 5 . 1 1 73 73 ASP CA C 73 55.145 55.145 55.343 -0.198 19087 2454 1 5 . 1 1 73 73 ASP CB C 73 40.778 40.778 41.524 -0.746 19087 2455 1 5 . 1 1 73 73 ASP H H 73 8.431 8.431 8.276 0.155 19087 2456 1 5 . 1 1 74 74 VAL N N 74 122.218 122.218 119.736 2.482 19087 2457 1 5 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.334 -0.368 19087 2458 1 5 . 1 1 74 74 VAL C C 74 175.339 175.339 174.567 0.772 19087 2459 1 5 . 1 1 74 74 VAL CA C 74 63.871 63.871 61.227 2.644 19087 2460 1 5 . 1 1 74 74 VAL CB C 74 32.075 32.075 33.116 -1.041 19087 2461 1 5 . 1 1 74 74 VAL H H 74 7.468 7.468 7.235 0.233 19087 2462 1 5 . 1 1 75 75 ALA N N 75 128.630 128.630 130.677 -2.047 19087 2463 1 5 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.560 -0.135 19087 2464 1 5 . 1 1 75 75 ALA C C 75 176.404 176.404 176.207 0.197 19087 2465 1 5 . 1 1 75 75 ALA CA C 75 52.427 52.427 51.798 0.629 19087 2466 1 5 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.300 1.171 19087 2467 1 5 . 1 1 75 75 ALA H H 75 8.581 8.581 8.501 0.080 19087 2468 1 5 . 1 1 76 76 ALA N N 76 120.481 120.481 121.806 -1.325 19087 2469 1 5 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.660 -0.003 19087 2470 1 5 . 1 1 76 76 ALA C C 76 175.925 175.925 176.806 -0.881 19087 2471 1 5 . 1 1 76 76 ALA CA C 76 50.995 50.995 50.734 0.261 19087 2472 1 5 . 1 1 76 76 ALA CB C 76 22.365 22.365 21.499 0.866 19087 2473 1 5 . 1 1 76 76 ALA H H 76 7.438 7.438 7.536 -0.098 19087 2474 1 5 . 1 1 77 77 THR N N 77 121.464 121.464 120.506 0.958 19087 2475 1 5 . 1 1 77 77 THR HA H 77 4.734 4.734 4.566 0.168 19087 2476 1 5 . 1 1 77 77 THR C C 77 174.143 174.143 174.015 0.128 19087 2477 1 5 . 1 1 77 77 THR CA C 77 63.914 63.914 61.841 2.073 19087 2478 1 5 . 1 1 77 77 THR CB C 77 70.070 70.070 68.622 1.448 19087 2479 1 5 . 1 1 77 77 THR H H 77 8.390 8.390 8.637 -0.247 19087 2480 1 5 . 1 1 78 78 THR N N 78 123.538 123.538 124.117 -0.579 19087 2481 1 5 . 1 1 78 78 THR HA H 78 4.644 4.644 4.550 0.094 19087 2482 1 5 . 1 1 78 78 THR C C 78 181.684 181.684 172.232 9.452 19087 2483 1 5 . 1 1 78 78 THR CA C 78 62.511 62.511 60.927 1.584 19087 2484 1 5 . 1 1 78 78 THR CB C 78 72.846 72.846 72.344 0.502 19087 2485 1 5 . 1 1 78 78 THR H H 78 8.355 8.355 8.580 -0.225 19087 2486 1 5 . 1 1 79 79 VAL N N 79 126.455 126.455 124.279 2.176 19087 2487 1 5 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.216 0.380 19087 2488 1 5 . 1 1 79 79 VAL C C 79 173.702 173.702 174.307 -0.605 19087 2489 1 5 . 1 1 79 79 VAL CA C 79 60.385 60.385 61.971 -1.586 19087 2490 1 5 . 1 1 79 79 VAL CB C 79 33.089 33.089 31.804 1.285 19087 2491 1 5 . 1 1 79 79 VAL H H 79 8.685 8.685 8.587 0.098 19087 2492 1 5 . 1 1 80 80 TYR N N 80 123.574 123.574 127.872 -4.298 19087 2493 1 5 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.320 1.080 19087 2494 1 5 . 1 1 80 80 TYR C C 80 176.410 176.410 175.300 1.110 19087 2495 1 5 . 1 1 80 80 TYR CA C 80 56.608 56.608 55.781 0.828 19087 2496 1 5 . 1 1 80 80 TYR CB C 80 42.567 42.567 40.027 2.540 19087 2497 1 5 . 1 1 80 80 TYR H H 80 9.702 9.702 8.847 0.855 19087 2498 1 5 . 1 1 81 81 TYR N N 81 117.754 117.754 119.313 -1.559 19087 2499 1 5 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.105 0.369 19087 2500 1 5 . 1 1 81 81 TYR C C 81 173.237 173.237 174.217 -0.980 19087 2501 1 5 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.469 0.029 19087 2502 1 5 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.323 1.926 19087 2503 1 5 . 1 1 81 81 TYR H H 81 8.221 8.221 8.311 -0.090 19087 2504 1 5 . 1 1 82 82 THR N N 82 111.056 111.056 116.280 -5.224 19087 2505 1 5 . 1 1 82 82 THR HA H 82 4.724 4.724 4.594 0.130 19087 2506 1 5 . 1 1 82 82 THR C C 82 174.521 174.521 174.892 -0.371 19087 2507 1 5 . 1 1 82 82 THR CA C 82 60.896 60.896 61.940 -1.044 19087 2508 1 5 . 1 1 82 82 THR CB C 82 71.506 71.506 70.303 1.203 19087 2509 1 5 . 1 1 82 82 THR H H 82 8.245 8.245 8.835 -0.590 19087 2510 1 5 . 1 1 83 83 GLU N N 83 117.058 117.058 118.323 -1.265 19087 2511 1 5 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.571 -0.094 19087 2512 1 5 . 1 1 83 83 GLU C C 83 176.152 176.152 177.145 -0.993 19087 2513 1 5 . 1 1 83 83 GLU CA C 83 57.179 57.179 56.093 1.086 19087 2514 1 5 . 1 1 83 83 GLU CB C 83 28.714 28.714 31.924 -3.210 19087 2515 1 5 . 1 1 83 83 GLU H H 83 8.772 8.772 8.198 0.574 19087 2516 1 5 . 1 1 84 84 VAL N N 84 123.039 123.039 124.413 -1.374 19087 2517 1 5 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.797 0.097 19087 2518 1 5 . 1 1 84 84 VAL C C 84 177.170 177.170 176.661 0.509 19087 2519 1 5 . 1 1 84 84 VAL CA C 84 63.678 63.678 64.496 -0.818 19087 2520 1 5 . 1 1 84 84 VAL CB C 84 32.474 32.474 31.657 0.817 19087 2521 1 5 . 1 1 84 84 VAL H H 84 7.818 7.818 8.008 -0.190 19087 2522 1 5 . 1 1 85 85 GLU N N 85 129.351 129.351 125.681 3.670 19087 2523 1 5 . 1 1 85 85 GLU HA H 85 3.892 3.892 4.013 -0.121 19087 2524 1 5 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.929 0.076 19087 2525 1 5 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.662 0.861 19087 2526 1 5 . 1 1 85 85 GLU H H 85 8.796 8.796 9.093 -0.297 19087 2527 1 5 . 1 1 86 86 GLY C C 86 176.321 176.321 174.249 2.072 19087 2528 1 5 . 1 1 86 86 GLY CA C 86 45.876 45.876 44.893 0.983 19087 2529 1 5 . 1 1 87 87 GLU N N 87 121.773 121.773 121.900 -0.127 19087 2530 1 5 . 1 1 87 87 GLU HA H 87 3.948 3.948 3.846 0.102 19087 2531 1 5 . 1 1 87 87 GLU C C 87 178.276 178.276 177.933 0.343 19087 2532 1 5 . 1 1 87 87 GLU CA C 87 61.762 61.762 60.652 1.110 19087 2533 1 5 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.960 0.136 19087 2534 1 5 . 1 1 87 87 GLU H H 87 8.133 8.133 7.923 0.210 19087 2535 1 5 . 1 1 88 88 ARG N N 88 121.466 121.466 116.640 4.826 19087 2536 1 5 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.518 -0.156 19087 2537 1 5 . 1 1 88 88 ARG C C 88 177.229 177.229 177.535 -0.306 19087 2538 1 5 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.295 1.198 19087 2539 1 5 . 1 1 88 88 ARG CB C 88 29.059 29.059 28.678 0.381 19087 2540 1 5 . 1 1 88 88 ARG H H 88 9.132 9.132 8.440 0.692 19087 2541 1 5 . 1 1 89 89 ALA N N 89 119.527 119.527 122.287 -2.760 19087 2542 1 5 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.127 0.056 19087 2543 1 5 . 1 1 89 89 ALA C C 89 181.949 181.949 178.921 3.028 19087 2544 1 5 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.548 0.734 19087 2545 1 5 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.005 0.124 19087 2546 1 5 . 1 1 89 89 ALA H H 89 8.388 8.388 7.335 1.053 19087 2547 1 5 . 1 1 90 90 THR N N 90 115.279 115.279 113.024 2.255 19087 2548 1 5 . 1 1 90 90 THR HA H 90 4.146 4.146 4.062 0.084 19087 2549 1 5 . 1 1 90 90 THR C C 90 175.118 175.118 176.136 -1.018 19087 2550 1 5 . 1 1 90 90 THR CA C 90 66.607 66.607 64.360 2.247 19087 2551 1 5 . 1 1 90 90 THR CB C 90 68.971 68.971 68.860 0.111 19087 2552 1 5 . 1 1 90 90 THR H H 90 7.640 7.640 7.718 -0.078 19087 2553 1 5 . 1 1 91 91 ALA N N 91 124.784 124.784 123.307 1.477 19087 2554 1 5 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.031 -0.262 19087 2555 1 5 . 1 1 91 91 ALA C C 91 178.546 178.546 178.757 -0.211 19087 2556 1 5 . 1 1 91 91 ALA CA C 91 55.552 55.552 54.949 0.603 19087 2557 1 5 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.473 0.780 19087 2558 1 5 . 1 1 91 91 ALA H H 91 9.095 9.095 7.922 1.173 19087 2559 1 5 . 1 1 92 92 ASP N N 92 118.310 118.310 118.917 -0.607 19087 2560 1 5 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.228 0.189 19087 2561 1 5 . 1 1 92 92 ASP C C 92 179.053 179.053 178.008 1.045 19087 2562 1 5 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.679 -0.037 19087 2563 1 5 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.654 -0.225 19087 2564 1 5 . 1 1 92 92 ASP H H 92 8.898 8.898 7.912 0.986 19087 2565 1 5 . 1 1 93 93 ALA N N 93 122.980 122.980 121.079 1.901 19087 2566 1 5 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.025 0.249 19087 2567 1 5 . 1 1 93 93 ALA C C 93 180.933 180.933 179.367 1.566 19087 2568 1 5 . 1 1 93 93 ALA CA C 93 55.575 55.575 54.976 0.599 19087 2569 1 5 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.676 -0.500 19087 2570 1 5 . 1 1 93 93 ALA H H 93 7.424 7.424 7.151 0.273 19087 2571 1 5 . 1 1 94 94 VAL N N 94 123.968 123.968 118.321 5.647 19087 2572 1 5 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.726 -0.782 19087 2573 1 5 . 1 1 94 94 VAL C C 94 178.269 178.269 178.213 0.056 19087 2574 1 5 . 1 1 94 94 VAL CA C 94 66.399 66.399 66.474 -0.075 19087 2575 1 5 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.583 -0.880 19087 2576 1 5 . 1 1 94 94 VAL H H 94 8.808 8.808 7.433 1.375 19087 2577 1 5 . 1 1 95 95 GLY N N 95 108.282 108.282 106.281 2.001 19087 2578 1 5 . 1 1 95 95 GLY C C 95 176.440 176.440 175.759 0.681 19087 2579 1 5 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.066 0.853 19087 2580 1 5 . 1 1 95 95 GLY H H 95 9.355 9.355 8.275 1.080 19087 2581 1 5 . 1 1 96 96 ARG N N 96 120.852 120.852 120.955 -0.103 19087 2582 1 5 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.180 0.023 19087 2583 1 5 . 1 1 96 96 ARG C C 96 179.101 179.101 177.984 1.117 19087 2584 1 5 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.560 0.650 19087 2585 1 5 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.544 -0.010 19087 2586 1 5 . 1 1 96 96 ARG H H 96 8.112 8.112 7.711 0.401 19087 2587 1 5 . 1 1 97 97 THR N N 97 117.170 117.170 115.143 2.027 19087 2588 1 5 . 1 1 97 97 THR HA H 97 3.986 3.986 4.119 -0.133 19087 2589 1 5 . 1 1 97 97 THR C C 97 175.451 175.451 175.984 -0.533 19087 2590 1 5 . 1 1 97 97 THR CA C 97 66.867 66.867 65.313 1.554 19087 2591 1 5 . 1 1 97 97 THR CB C 97 68.205 68.205 68.972 -0.767 19087 2592 1 5 . 1 1 97 97 THR H H 97 7.854 7.854 7.619 0.235 19087 2593 1 5 . 1 1 98 98 LEU N N 98 115.294 115.294 121.047 -5.753 19087 2594 1 5 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.532 -0.227 19087 2595 1 5 . 1 1 98 98 LEU C C 98 177.537 177.537 176.856 0.681 19087 2596 1 5 . 1 1 98 98 LEU CA C 98 54.583 54.583 54.698 -0.115 19087 2597 1 5 . 1 1 98 98 LEU CB C 98 43.373 43.373 43.251 0.122 19087 2598 1 5 . 1 1 98 98 LEU H H 98 7.855 7.855 8.014 -0.159 19087 2599 1 5 . 1 1 99 99 GLY N N 99 111.931 111.931 106.248 5.683 19087 2600 1 5 . 1 1 99 99 GLY C C 99 173.997 173.997 173.768 0.229 19087 2601 1 5 . 1 1 99 99 GLY CA C 99 46.993 46.993 44.864 2.130 19087 2602 1 5 . 1 1 99 99 GLY H H 99 8.101 8.101 7.530 0.571 19087 2603 1 5 . 1 1 100 100 ALA N N 100 121.739 121.739 121.496 0.243 19087 2604 1 5 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.525 0.212 19087 2605 1 5 . 1 1 100 100 ALA C C 100 175.351 175.351 175.422 -0.071 19087 2606 1 5 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.540 -0.134 19087 2607 1 5 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.737 2.222 19087 2608 1 5 . 1 1 100 100 ALA H H 100 8.033 8.033 7.503 0.530 19087 2609 1 5 . 1 1 101 101 ALA N N 101 122.895 122.895 123.162 -0.267 19087 2610 1 5 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.387 -0.178 19087 2611 1 5 . 1 1 101 101 ALA C C 101 175.179 175.179 176.548 -1.369 19087 2612 1 5 . 1 1 101 101 ALA CA C 101 52.737 52.737 52.098 0.639 19087 2613 1 5 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.394 0.420 19087 2614 1 5 . 1 1 101 101 ALA H H 101 7.782 7.782 8.618 -0.836 19087 2615 1 5 . 1 1 102 102 VAL N N 102 120.035 120.035 121.252 -1.217 19087 2616 1 5 . 1 1 102 102 VAL HA H 102 5.054 5.054 4.841 0.213 19087 2617 1 5 . 1 1 102 102 VAL C C 102 176.587 176.587 175.393 1.194 19087 2618 1 5 . 1 1 102 102 VAL CA C 102 60.988 60.988 60.541 0.447 19087 2619 1 5 . 1 1 102 102 VAL CB C 102 33.725 33.725 31.158 2.567 19087 2620 1 5 . 1 1 102 102 VAL H H 102 7.872 7.872 8.240 -0.368 19087 2621 1 5 . 1 1 103 103 GLU N N 103 126.469 126.469 126.914 -0.445 19087 2622 1 5 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.557 0.322 19087 2623 1 5 . 1 1 103 103 GLU C C 103 174.343 174.343 174.583 -0.240 19087 2624 1 5 . 1 1 103 103 GLU CA C 103 54.351 54.351 53.732 0.619 19087 2625 1 5 . 1 1 103 103 GLU CB C 103 35.595 35.595 33.549 2.046 19087 2626 1 5 . 1 1 103 103 GLU H H 103 9.215 9.215 8.787 0.428 19087 2627 1 5 . 1 1 104 104 LEU N N 104 123.109 123.109 120.665 2.444 19087 2628 1 5 . 1 1 104 104 LEU HA H 104 3.591 3.591 4.142 -0.551 19087 2629 1 5 . 1 1 104 104 LEU C C 104 178.379 178.379 177.953 0.426 19087 2630 1 5 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.160 -0.240 19087 2631 1 5 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.895 0.015 19087 2632 1 5 . 1 1 104 104 LEU H H 104 8.273 8.273 8.250 0.023 19087 2633 1 5 . 1 1 105 105 ARG N N 105 119.790 119.790 120.573 -0.783 19087 2634 1 5 . 1 1 105 105 ARG HA H 105 4.261 4.261 3.992 0.269 19087 2635 1 5 . 1 1 105 105 ARG C C 105 177.043 177.043 176.121 0.922 19087 2636 1 5 . 1 1 105 105 ARG CA C 105 59.310 59.310 57.293 2.017 19087 2637 1 5 . 1 1 105 105 ARG CB C 105 32.077 32.077 29.801 2.276 19087 2638 1 5 . 1 1 105 105 ARG H H 105 8.300 8.300 8.034 0.266 19087 2639 1 5 . 1 1 106 106 LEU N N 106 122.431 122.431 114.929 7.502 19087 2640 1 5 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.011 0.387 19087 2641 1 5 . 1 1 106 106 LEU CA C 106 54.701 54.701 54.651 0.050 19087 2642 1 5 . 1 1 106 106 LEU CB C 106 42.469 42.469 40.718 1.751 19087 2643 1 5 . 1 1 106 106 LEU H H 106 8.026 8.026 7.698 0.328 19087 2644 1 5 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.181 0.058 19087 2645 1 5 . 1 1 107 107 PRO C C 107 179.627 179.627 178.159 1.468 19087 2646 1 5 . 1 1 107 107 PRO CA C 107 65.898 65.898 65.187 0.711 19087 2647 1 5 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.587 -0.068 19087 2648 1 5 . 1 1 108 108 GLU N N 108 116.744 116.744 118.063 -1.319 19087 2649 1 5 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.154 -0.056 19087 2650 1 5 . 1 1 108 108 GLU C C 108 176.957 176.957 178.491 -1.534 19087 2651 1 5 . 1 1 108 108 GLU CA C 108 59.584 59.584 58.665 0.919 19087 2652 1 5 . 1 1 108 108 GLU CB C 108 29.157 29.157 27.999 1.158 19087 2653 1 5 . 1 1 108 108 GLU H H 108 9.605 9.605 8.382 1.223 19087 2654 1 5 . 1 1 109 109 LEU N N 109 116.575 116.575 120.235 -3.660 19087 2655 1 5 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.076 0.454 19087 2656 1 5 . 1 1 109 109 LEU C C 109 177.894 177.894 178.509 -0.615 19087 2657 1 5 . 1 1 109 109 LEU CA C 109 53.489 53.489 57.395 -3.906 19087 2658 1 5 . 1 1 109 109 LEU CB C 109 42.241 42.241 42.085 0.156 19087 2659 1 5 . 1 1 109 109 LEU H H 109 7.630 7.630 7.618 0.012 19087 2660 1 5 . 1 1 110 110 SER N N 110 117.031 117.031 113.978 3.053 19087 2661 1 5 . 1 1 110 110 SER HA H 110 3.943 3.943 4.250 -0.307 19087 2662 1 5 . 1 1 110 110 SER C C 110 174.273 174.273 175.307 -1.034 19087 2663 1 5 . 1 1 110 110 SER CA C 110 59.543 59.543 60.779 -1.236 19087 2664 1 5 . 1 1 110 110 SER CB C 110 63.609 63.609 63.245 0.364 19087 2665 1 5 . 1 1 110 110 SER H H 110 7.757 7.757 7.732 0.025 19087 2666 1 5 . 1 1 111 111 ASP N N 111 117.804 117.804 120.141 -2.337 19087 2667 1 5 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.798 -0.216 19087 2668 1 5 . 1 1 111 111 ASP C C 111 176.760 176.760 175.719 1.041 19087 2669 1 5 . 1 1 111 111 ASP CA C 111 53.976 53.976 54.416 -0.440 19087 2670 1 5 . 1 1 111 111 ASP CB C 111 40.183 40.183 42.499 -2.317 19087 2671 1 5 . 1 1 111 111 ASP H H 111 8.315 8.315 7.607 0.708 19087 2672 1 5 . 1 1 112 112 GLN N N 112 119.300 119.300 120.644 -1.344 19087 2673 1 5 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.565 -0.265 19087 2674 1 5 . 1 1 112 112 GLN CA C 112 55.014 55.014 53.689 1.325 19087 2675 1 5 . 1 1 112 112 GLN CB C 112 26.568 26.568 28.714 -2.146 19087 2676 1 5 . 1 1 112 112 GLN H H 112 7.212 7.212 7.664 -0.452 19087 2677 1 5 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.337 0.190 19087 2678 1 5 . 1 1 114 114 PRO C C 114 175.464 175.464 176.997 -1.533 19087 2679 1 5 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.273 0.796 19087 2680 1 5 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.383 0.064 19087 2681 1 5 . 1 1 115 115 GLY N N 115 113.817 113.817 106.352 7.465 19087 2682 1 5 . 1 1 115 115 GLY C C 115 173.552 173.552 174.159 -0.607 19087 2683 1 5 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.680 -0.727 19087 2684 1 5 . 1 1 115 115 GLY H H 115 8.443 8.443 8.291 0.152 19087 2685 1 5 . 1 1 116 116 VAL N N 116 122.049 122.049 122.175 -0.126 19087 2686 1 5 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.485 -0.354 19087 2687 1 5 . 1 1 116 116 VAL C C 116 174.533 174.533 176.791 -2.258 19087 2688 1 5 . 1 1 116 116 VAL CA C 116 63.916 63.916 64.565 -0.649 19087 2689 1 5 . 1 1 116 116 VAL CB C 116 32.342 32.342 32.179 0.163 19087 2690 1 5 . 1 1 116 116 VAL H H 116 8.957 8.957 8.116 0.841 19087 2691 1 5 . 1 1 117 117 ILE N N 117 126.102 126.102 122.717 3.385 19087 2692 1 5 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.254 -0.315 19087 2693 1 5 . 1 1 117 117 ILE C C 117 174.181 174.181 174.868 -0.687 19087 2694 1 5 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.630 1.438 19087 2695 1 5 . 1 1 117 117 ILE CB C 117 42.368 42.368 42.001 0.367 19087 2696 1 5 . 1 1 117 117 ILE H H 117 7.863 7.863 8.674 -0.811 19087 2697 1 5 . 1 1 118 118 VAL N N 118 127.665 127.665 123.682 3.983 19087 2698 1 5 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.550 0.374 19087 2699 1 5 . 1 1 118 118 VAL C C 118 175.224 175.224 174.671 0.553 19087 2700 1 5 . 1 1 118 118 VAL CA C 118 60.580 60.580 60.913 -0.333 19087 2701 1 5 . 1 1 118 118 VAL CB C 118 33.945 33.945 32.006 1.939 19087 2702 1 5 . 1 1 118 118 VAL H H 118 9.348 9.348 8.309 1.039 19087 2703 1 5 . 1 1 119 119 VAL N N 119 121.828 121.828 129.610 -7.782 19087 2704 1 5 . 1 1 119 119 VAL HA H 119 5.563 5.563 5.342 0.221 19087 2705 1 5 . 1 1 119 119 VAL C C 119 174.425 174.425 173.964 0.461 19087 2706 1 5 . 1 1 119 119 VAL CA C 119 58.691 58.691 59.410 -0.719 19087 2707 1 5 . 1 1 119 119 VAL CB C 119 32.886 32.886 33.872 -0.986 19087 2708 1 5 . 1 1 119 119 VAL H H 119 9.096 9.096 8.507 0.589 19087 2709 1 5 . 1 1 120 120 VAL N N 120 120.260 120.260 128.595 -8.335 19087 2710 1 5 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.500 0.318 19087 2711 1 5 . 1 1 120 120 VAL C C 120 175.649 175.649 174.606 1.043 19087 2712 1 5 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.455 0.176 19087 2713 1 5 . 1 1 120 120 VAL CB C 120 34.550 34.550 33.954 0.596 19087 2714 1 5 . 1 1 120 120 VAL H H 120 8.809 8.809 8.579 0.230 19087 2715 1 5 . 1 1 121 121 THR N N 121 114.564 114.564 117.891 -3.327 19087 2716 1 5 . 1 1 121 121 THR HA H 121 4.428 4.428 4.553 -0.125 19087 2717 1 5 . 1 1 121 121 THR C C 121 173.833 173.833 173.806 0.027 19087 2718 1 5 . 1 1 121 121 THR CA C 121 60.834 60.834 60.841 -0.007 19087 2719 1 5 . 1 1 121 121 THR CB C 121 69.413 69.413 69.117 0.296 19087 2720 1 5 . 1 1 121 121 THR H H 121 7.859 7.859 8.645 -0.786 19087 2721 1 6 . 1 1 6 6 SER C C 6 174.665 174.665 174.792 -0.127 19087 2722 1 6 . 1 1 6 6 SER CA C 6 58.745 58.745 58.606 0.139 19087 2723 1 6 . 1 1 6 6 SER CB C 6 63.870 63.870 64.651 -0.781 19087 2724 1 6 . 1 1 7 7 GLU N N 7 122.278 122.278 122.610 -0.332 19087 2725 1 6 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.414 0.314 19087 2726 1 6 . 1 1 7 7 GLU C C 7 176.279 176.279 176.325 -0.046 19087 2727 1 6 . 1 1 7 7 GLU CA C 7 56.894 56.894 56.503 0.391 19087 2728 1 6 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.541 0.668 19087 2729 1 6 . 1 1 7 7 GLU H H 7 8.475 8.475 8.787 -0.312 19087 2730 1 6 . 1 1 8 8 ASP N N 8 120.753 120.753 120.031 0.722 19087 2731 1 6 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.423 0.286 19087 2732 1 6 . 1 1 8 8 ASP C C 8 176.070 176.070 176.287 -0.217 19087 2733 1 6 . 1 1 8 8 ASP CA C 8 54.366 54.366 55.292 -0.926 19087 2734 1 6 . 1 1 8 8 ASP CB C 8 41.459 41.459 40.862 0.597 19087 2735 1 6 . 1 1 8 8 ASP H H 8 8.206 8.206 7.961 0.245 19087 2736 1 6 . 1 1 9 9 ASP N N 9 121.430 121.430 118.641 2.789 19087 2737 1 6 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.402 0.301 19087 2738 1 6 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.342 0.103 19087 2739 1 6 . 1 1 9 9 ASP CB C 9 41.220 41.220 41.181 0.039 19087 2740 1 6 . 1 1 9 9 ASP H H 9 8.256 8.256 8.508 -0.252 19087 2741 1 6 . 1 1 11 11 SER C C 11 174.517 174.517 173.126 1.391 19087 2742 1 6 . 1 1 11 11 SER CA C 11 59.364 59.364 58.633 0.731 19087 2743 1 6 . 1 1 11 11 SER CB C 11 63.989 63.989 64.224 -0.235 19087 2744 1 6 . 1 1 12 12 ALA N N 12 125.500 125.500 127.434 -1.934 19087 2745 1 6 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.875 -0.519 19087 2746 1 6 . 1 1 12 12 ALA C C 12 177.811 177.811 175.895 1.916 19087 2747 1 6 . 1 1 12 12 ALA CA C 12 52.815 52.815 52.106 0.709 19087 2748 1 6 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.747 -1.544 19087 2749 1 6 . 1 1 12 12 ALA H H 12 8.087 8.087 8.374 -0.287 19087 2750 1 6 . 1 1 13 13 ILE N N 13 119.045 119.045 121.345 -2.300 19087 2751 1 6 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.292 -0.099 19087 2752 1 6 . 1 1 13 13 ILE CA C 13 61.163 61.163 61.053 0.110 19087 2753 1 6 . 1 1 13 13 ILE CB C 13 38.721 38.721 39.628 -0.907 19087 2754 1 6 . 1 1 13 13 ILE H H 13 7.938 7.938 8.327 -0.389 19087 2755 1 6 . 1 1 14 14 SER N N 14 119.662 119.662 123.257 -3.595 19087 2756 1 6 . 1 1 14 14 SER H H 14 8.339 8.339 8.451 -0.112 19087 2757 1 6 . 1 1 21 21 ALA HA H 21 4.286 4.286 5.029 -0.743 19087 2758 1 6 . 1 1 21 21 ALA C C 21 177.013 177.013 175.380 1.633 19087 2759 1 6 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.579 0.006 19087 2760 1 6 . 1 1 21 21 ALA CB C 21 19.339 19.339 20.868 -1.529 19087 2761 1 6 . 1 1 22 22 ALA N N 22 124.579 124.579 125.933 -1.354 19087 2762 1 6 . 1 1 22 22 ALA HA H 22 4.725 4.725 5.093 -0.368 19087 2763 1 6 . 1 1 22 22 ALA CA C 22 50.310 50.310 51.097 -0.787 19087 2764 1 6 . 1 1 22 22 ALA CB C 22 18.232 18.232 19.371 -1.139 19087 2765 1 6 . 1 1 22 22 ALA H H 22 8.182 8.182 8.758 -0.576 19087 2766 1 6 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.063 0.072 19087 2767 1 6 . 1 1 28 28 VAL C C 28 175.779 175.779 175.526 0.253 19087 2768 1 6 . 1 1 28 28 VAL CA C 28 62.167 62.167 62.932 -0.765 19087 2769 1 6 . 1 1 28 28 VAL CB C 28 32.681 32.681 32.689 -0.008 19087 2770 1 6 . 1 1 29 29 LYS N N 29 126.858 126.858 126.979 -0.121 19087 2771 1 6 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.670 0.042 19087 2772 1 6 . 1 1 29 29 LYS CA C 29 54.135 54.135 54.554 -0.419 19087 2773 1 6 . 1 1 29 29 LYS CB C 29 32.646 32.646 33.393 -0.747 19087 2774 1 6 . 1 1 29 29 LYS H H 29 8.346 8.346 8.563 -0.217 19087 2775 1 6 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.512 -0.110 19087 2776 1 6 . 1 1 30 30 PRO C C 30 176.435 176.435 176.097 0.338 19087 2777 1 6 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.565 0.211 19087 2778 1 6 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.352 -0.198 19087 2779 1 6 . 1 1 31 31 ALA N N 31 124.680 124.680 122.770 1.910 19087 2780 1 6 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.352 -0.005 19087 2781 1 6 . 1 1 31 31 ALA C C 31 176.860 176.860 177.323 -0.463 19087 2782 1 6 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.594 0.722 19087 2783 1 6 . 1 1 31 31 ALA CB C 31 19.398 19.398 19.443 -0.045 19087 2784 1 6 . 1 1 31 31 ALA H H 31 8.324 8.324 8.226 0.098 19087 2785 1 6 . 1 1 32 32 ALA N N 32 125.011 125.011 125.222 -0.211 19087 2786 1 6 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.533 0.203 19087 2787 1 6 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.328 0.159 19087 2788 1 6 . 1 1 32 32 ALA CB C 32 18.203 18.203 18.766 -0.563 19087 2789 1 6 . 1 1 32 32 ALA H H 32 8.246 8.246 8.513 -0.267 19087 2790 1 6 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.737 -0.271 19087 2791 1 6 . 1 1 33 33 PRO C C 33 176.834 176.834 175.711 1.123 19087 2792 1 6 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.571 0.254 19087 2793 1 6 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.957 -0.962 19087 2794 1 6 . 1 1 34 34 ARG N N 34 121.170 121.170 121.327 -0.157 19087 2795 1 6 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.445 -0.059 19087 2796 1 6 . 1 1 34 34 ARG C C 34 175.853 175.853 174.409 1.444 19087 2797 1 6 . 1 1 34 34 ARG CA C 34 55.912 55.912 56.941 -1.029 19087 2798 1 6 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.556 0.116 19087 2799 1 6 . 1 1 34 34 ARG H H 34 8.349 8.349 8.355 -0.006 19087 2800 1 6 . 1 1 35 35 ALA N N 35 124.878 124.878 129.519 -4.641 19087 2801 1 6 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.801 -0.189 19087 2802 1 6 . 1 1 35 35 ALA C C 35 176.170 176.170 175.577 0.593 19087 2803 1 6 . 1 1 35 35 ALA CA C 35 51.566 51.566 51.562 0.005 19087 2804 1 6 . 1 1 35 35 ALA CB C 35 20.722 20.722 20.582 0.140 19087 2805 1 6 . 1 1 35 35 ALA H H 35 8.008 8.008 8.302 -0.294 19087 2806 1 6 . 1 1 36 36 GLU N N 36 119.776 119.776 124.399 -4.623 19087 2807 1 6 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.760 -0.329 19087 2808 1 6 . 1 1 36 36 GLU C C 36 174.618 174.618 174.633 -0.015 19087 2809 1 6 . 1 1 36 36 GLU CA C 36 56.472 56.472 55.401 1.071 19087 2810 1 6 . 1 1 36 36 GLU CB C 36 31.124 31.124 30.494 0.630 19087 2811 1 6 . 1 1 36 36 GLU H H 36 8.495 8.495 8.660 -0.165 19087 2812 1 6 . 1 1 37 37 VAL N N 37 119.808 119.808 124.235 -4.427 19087 2813 1 6 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.772 0.130 19087 2814 1 6 . 1 1 37 37 VAL C C 37 174.285 174.285 174.608 -0.323 19087 2815 1 6 . 1 1 37 37 VAL CA C 37 60.639 60.639 60.761 -0.122 19087 2816 1 6 . 1 1 37 37 VAL CB C 37 34.612 34.612 34.694 -0.082 19087 2817 1 6 . 1 1 37 37 VAL H H 37 8.494 8.494 8.850 -0.356 19087 2818 1 6 . 1 1 38 38 ARG N N 38 124.534 124.534 125.447 -0.913 19087 2819 1 6 . 1 1 38 38 ARG HA H 38 4.926 4.926 4.868 0.058 19087 2820 1 6 . 1 1 38 38 ARG C C 38 174.239 174.239 174.075 0.164 19087 2821 1 6 . 1 1 38 38 ARG CA C 38 55.092 55.092 55.363 -0.271 19087 2822 1 6 . 1 1 38 38 ARG CB C 38 34.190 34.190 33.396 0.794 19087 2823 1 6 . 1 1 38 38 ARG H H 38 8.652 8.652 8.681 -0.029 19087 2824 1 6 . 1 1 39 39 VAL N N 39 121.231 121.231 127.985 -6.754 19087 2825 1 6 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.271 0.527 19087 2826 1 6 . 1 1 39 39 VAL C C 39 173.357 173.357 174.139 -0.782 19087 2827 1 6 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.951 -1.313 19087 2828 1 6 . 1 1 39 39 VAL CB C 39 34.294 34.294 32.611 1.683 19087 2829 1 6 . 1 1 39 39 VAL H H 39 7.934 7.934 8.746 -0.812 19087 2830 1 6 . 1 1 40 40 TYR N N 40 122.262 122.262 127.066 -4.804 19087 2831 1 6 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.519 -0.365 19087 2832 1 6 . 1 1 40 40 TYR C C 40 175.124 175.124 174.976 0.148 19087 2833 1 6 . 1 1 40 40 TYR CA C 40 55.540 55.540 55.452 0.088 19087 2834 1 6 . 1 1 40 40 TYR CB C 40 42.223 42.223 39.601 2.622 19087 2835 1 6 . 1 1 40 40 TYR H H 40 9.343 9.343 8.676 0.667 19087 2836 1 6 . 1 1 41 41 ASN N N 41 121.684 121.684 122.076 -0.392 19087 2837 1 6 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.376 -0.344 19087 2838 1 6 . 1 1 41 41 ASN C C 41 176.301 176.301 174.950 1.351 19087 2839 1 6 . 1 1 41 41 ASN CA C 41 52.635 52.635 51.739 0.896 19087 2840 1 6 . 1 1 41 41 ASN CB C 41 39.836 39.836 40.977 -1.141 19087 2841 1 6 . 1 1 41 41 ASN H H 41 9.287 9.287 8.613 0.674 19087 2842 1 6 . 1 1 42 42 ILE N N 42 119.462 119.462 124.719 -5.257 19087 2843 1 6 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.576 0.874 19087 2844 1 6 . 1 1 42 42 ILE C C 42 176.450 176.450 175.207 1.243 19087 2845 1 6 . 1 1 42 42 ILE CA C 42 60.513 60.513 60.374 0.139 19087 2846 1 6 . 1 1 42 42 ILE CB C 42 38.597 38.597 39.124 -0.527 19087 2847 1 6 . 1 1 42 42 ILE H H 42 8.541 8.541 8.241 0.300 19087 2848 1 6 . 1 1 43 43 SER N N 43 118.212 118.212 114.728 3.484 19087 2849 1 6 . 1 1 43 43 SER HA H 43 4.729 4.729 4.635 0.094 19087 2850 1 6 . 1 1 43 43 SER CA C 43 58.598 58.598 56.671 1.927 19087 2851 1 6 . 1 1 43 43 SER CB C 43 66.262 66.262 64.828 1.434 19087 2852 1 6 . 1 1 43 43 SER H H 43 8.142 8.142 7.832 0.310 19087 2853 1 6 . 1 1 44 44 GLY C C 44 174.414 174.414 175.262 -0.848 19087 2854 1 6 . 1 1 44 44 GLY CA C 44 45.379 45.379 47.127 -1.748 19087 2855 1 6 . 1 1 45 45 THR N N 45 116.371 116.371 115.512 0.859 19087 2856 1 6 . 1 1 45 45 THR HA H 45 4.384 4.384 3.799 0.585 19087 2857 1 6 . 1 1 45 45 THR CA C 45 61.814 61.814 65.128 -3.314 19087 2858 1 6 . 1 1 45 45 THR CB C 45 69.787 69.787 67.985 1.802 19087 2859 1 6 . 1 1 45 45 THR H H 45 8.298 8.298 8.265 0.033 19087 2860 1 6 . 1 1 47 47 GLY C C 47 175.691 175.691 175.504 0.187 19087 2861 1 6 . 1 1 47 47 GLY CA C 47 46.191 46.191 46.494 -0.303 19087 2862 1 6 . 1 1 48 48 ALA N N 48 121.957 121.957 124.507 -2.550 19087 2863 1 6 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.046 -0.017 19087 2864 1 6 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.446 0.957 19087 2865 1 6 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.380 0.112 19087 2866 1 6 . 1 1 48 48 ALA H H 48 7.511 7.511 8.312 -0.801 19087 2867 1 6 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.940 0.044 19087 2868 1 6 . 1 1 49 49 ALA C C 49 178.073 178.073 179.014 -0.941 19087 2869 1 6 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.941 -0.079 19087 2870 1 6 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.262 0.427 19087 2871 1 6 . 1 1 50 50 ALA N N 50 122.654 122.654 120.168 2.486 19087 2872 1 6 . 1 1 50 50 ALA HA H 50 3.989 3.989 4.051 -0.062 19087 2873 1 6 . 1 1 50 50 ALA C C 50 179.642 179.642 179.261 0.381 19087 2874 1 6 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.124 1.727 19087 2875 1 6 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.370 -0.582 19087 2876 1 6 . 1 1 50 50 ALA H H 50 7.965 7.965 7.671 0.294 19087 2877 1 6 . 1 1 51 51 ARG N N 51 116.659 116.659 118.676 -2.017 19087 2878 1 6 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.117 0.074 19087 2879 1 6 . 1 1 51 51 ARG C C 51 179.931 179.931 178.387 1.544 19087 2880 1 6 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.568 0.944 19087 2881 1 6 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.780 0.683 19087 2882 1 6 . 1 1 51 51 ARG H H 51 7.982 7.982 7.820 0.162 19087 2883 1 6 . 1 1 52 52 THR N N 52 117.745 117.745 113.792 3.953 19087 2884 1 6 . 1 1 52 52 THR HA H 52 4.162 4.162 4.003 0.159 19087 2885 1 6 . 1 1 52 52 THR C C 52 175.626 175.626 175.985 -0.359 19087 2886 1 6 . 1 1 52 52 THR CA C 52 68.565 68.565 66.036 2.529 19087 2887 1 6 . 1 1 52 52 THR CB C 52 70.787 70.787 68.105 2.683 19087 2888 1 6 . 1 1 52 52 THR H H 52 7.661 7.661 7.771 -0.110 19087 2889 1 6 . 1 1 53 53 ALA N N 53 123.939 123.939 123.116 0.823 19087 2890 1 6 . 1 1 53 53 ALA HA H 53 3.886 3.886 3.872 0.014 19087 2891 1 6 . 1 1 53 53 ALA C C 53 179.013 179.013 178.789 0.224 19087 2892 1 6 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.328 1.869 19087 2893 1 6 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.243 0.474 19087 2894 1 6 . 1 1 53 53 ALA H H 53 8.805 8.805 7.963 0.842 19087 2895 1 6 . 1 1 54 54 ASP N N 54 118.351 118.351 119.343 -0.992 19087 2896 1 6 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.254 0.178 19087 2897 1 6 . 1 1 54 54 ASP C C 54 179.376 179.376 177.876 1.500 19087 2898 1 6 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.488 0.519 19087 2899 1 6 . 1 1 54 54 ASP CB C 54 40.242 40.242 40.880 -0.638 19087 2900 1 6 . 1 1 54 54 ASP H H 54 8.327 8.327 7.771 0.556 19087 2901 1 6 . 1 1 55 55 ARG N N 55 121.120 121.120 119.316 1.804 19087 2902 1 6 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.065 0.110 19087 2903 1 6 . 1 1 55 55 ARG C C 55 179.550 179.550 178.656 0.894 19087 2904 1 6 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.918 0.367 19087 2905 1 6 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.197 0.123 19087 2906 1 6 . 1 1 55 55 ARG H H 55 7.723 7.723 7.392 0.331 19087 2907 1 6 . 1 1 56 56 LEU N N 56 118.659 118.659 119.575 -0.916 19087 2908 1 6 . 1 1 56 56 LEU HA H 56 4.332 4.332 3.666 0.666 19087 2909 1 6 . 1 1 56 56 LEU C C 56 179.305 179.305 178.570 0.735 19087 2910 1 6 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.913 -0.475 19087 2911 1 6 . 1 1 56 56 LEU CB C 56 41.287 41.287 40.998 0.289 19087 2912 1 6 . 1 1 56 56 LEU H H 56 8.215 8.215 7.513 0.702 19087 2913 1 6 . 1 1 57 57 LYS N N 57 122.713 122.713 120.134 2.579 19087 2914 1 6 . 1 1 57 57 LYS HA H 57 4.513 4.513 4.003 0.510 19087 2915 1 6 . 1 1 57 57 LYS C C 57 181.436 181.436 178.155 3.281 19087 2916 1 6 . 1 1 57 57 LYS CA C 57 60.004 60.004 59.004 1.000 19087 2917 1 6 . 1 1 57 57 LYS CB C 57 32.437 32.437 32.123 0.314 19087 2918 1 6 . 1 1 57 57 LYS H H 57 8.914 8.914 7.767 1.147 19087 2919 1 6 . 1 1 58 58 ALA N N 58 122.423 122.423 120.024 2.399 19087 2920 1 6 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.356 -0.146 19087 2921 1 6 . 1 1 58 58 ALA C C 58 178.516 178.516 178.947 -0.431 19087 2922 1 6 . 1 1 58 58 ALA CA C 58 55.069 55.069 53.909 1.160 19087 2923 1 6 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.186 -0.277 19087 2924 1 6 . 1 1 58 58 ALA H H 58 8.026 8.026 7.364 0.662 19087 2925 1 6 . 1 1 59 59 ALA N N 59 118.347 118.347 119.961 -1.614 19087 2926 1 6 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.417 0.069 19087 2927 1 6 . 1 1 59 59 ALA C C 59 176.797 176.797 177.927 -1.130 19087 2928 1 6 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.287 -0.529 19087 2929 1 6 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.470 -0.101 19087 2930 1 6 . 1 1 59 59 ALA H H 59 7.413 7.413 7.859 -0.446 19087 2931 1 6 . 1 1 60 60 GLY N N 60 104.918 104.918 107.089 -2.171 19087 2932 1 6 . 1 1 60 60 GLY C C 60 174.741 174.741 174.079 0.662 19087 2933 1 6 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.809 0.426 19087 2934 1 6 . 1 1 60 60 GLY H H 60 7.694 7.694 7.795 -0.101 19087 2935 1 6 . 1 1 61 61 PHE N N 61 118.862 118.862 119.309 -0.447 19087 2936 1 6 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.843 -0.348 19087 2937 1 6 . 1 1 61 61 PHE C C 61 175.204 175.204 175.985 -0.781 19087 2938 1 6 . 1 1 61 61 PHE CA C 61 58.483 58.483 56.453 2.030 19087 2939 1 6 . 1 1 61 61 PHE CB C 61 39.163 39.163 40.056 -0.893 19087 2940 1 6 . 1 1 61 61 PHE H H 61 7.879 7.879 8.152 -0.273 19087 2941 1 6 . 1 1 62 62 THR N N 62 121.319 121.319 116.592 4.727 19087 2942 1 6 . 1 1 62 62 THR HA H 62 4.303 4.303 4.207 0.096 19087 2943 1 6 . 1 1 62 62 THR C C 62 173.073 173.073 175.010 -1.937 19087 2944 1 6 . 1 1 62 62 THR CA C 62 69.389 69.389 65.640 3.749 19087 2945 1 6 . 1 1 62 62 THR CB C 62 62.478 62.478 69.391 -6.912 19087 2946 1 6 . 1 1 62 62 THR H H 62 9.493 9.493 8.398 1.095 19087 2947 1 6 . 1 1 63 63 VAL N N 63 128.406 128.406 121.070 7.336 19087 2948 1 6 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.346 0.314 19087 2949 1 6 . 1 1 63 63 VAL C C 63 177.267 177.267 174.039 3.228 19087 2950 1 6 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.773 -1.674 19087 2951 1 6 . 1 1 63 63 VAL CB C 63 32.572 32.572 33.966 -1.394 19087 2952 1 6 . 1 1 63 63 VAL H H 63 8.293 8.293 7.816 0.477 19087 2953 1 6 . 1 1 64 64 THR N N 64 118.495 118.495 117.615 0.880 19087 2954 1 6 . 1 1 64 64 THR HA H 64 4.350 4.350 4.858 -0.508 19087 2955 1 6 . 1 1 64 64 THR CA C 64 62.182 62.182 60.348 1.834 19087 2956 1 6 . 1 1 64 64 THR CB C 64 69.143 69.143 69.590 -0.447 19087 2957 1 6 . 1 1 64 64 THR H H 64 8.770 8.770 8.539 0.231 19087 2958 1 6 . 1 1 65 65 ASP HA H 65 4.301 4.301 5.007 -0.706 19087 2959 1 6 . 1 1 65 65 ASP C C 65 173.778 173.778 174.597 -0.819 19087 2960 1 6 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.830 0.457 19087 2961 1 6 . 1 1 65 65 ASP CB C 65 44.018 44.018 44.309 -0.291 19087 2962 1 6 . 1 1 66 66 VAL N N 66 121.705 121.705 115.396 6.309 19087 2963 1 6 . 1 1 66 66 VAL HA H 66 4.863 4.863 5.259 -0.396 19087 2964 1 6 . 1 1 66 66 VAL C C 66 176.234 176.234 175.497 0.737 19087 2965 1 6 . 1 1 66 66 VAL CA C 66 60.597 60.597 59.205 1.392 19087 2966 1 6 . 1 1 66 66 VAL CB C 66 34.120 34.120 35.777 -1.657 19087 2967 1 6 . 1 1 66 66 VAL H H 66 7.849 7.849 8.257 -0.408 19087 2968 1 6 . 1 1 67 67 GLY N N 67 112.050 112.050 110.849 1.201 19087 2969 1 6 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.512 0.106 19087 2970 1 6 . 1 1 67 67 GLY H H 67 8.151 8.151 8.544 -0.393 19087 2971 1 6 . 1 1 68 68 ASN C C 68 173.771 173.771 174.514 -0.743 19087 2972 1 6 . 1 1 68 68 ASN CA C 68 53.062 53.062 51.992 1.070 19087 2973 1 6 . 1 1 68 68 ASN CB C 68 39.832 39.832 39.830 0.002 19087 2974 1 6 . 1 1 69 69 LEU N N 69 121.003 121.003 120.866 0.137 19087 2975 1 6 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.785 -0.248 19087 2976 1 6 . 1 1 69 69 LEU C C 69 174.751 174.751 174.515 0.236 19087 2977 1 6 . 1 1 69 69 LEU CA C 69 53.925 53.925 53.667 0.258 19087 2978 1 6 . 1 1 69 69 LEU CB C 69 47.313 47.313 44.112 3.201 19087 2979 1 6 . 1 1 69 69 LEU H H 69 8.276 8.276 8.422 -0.146 19087 2980 1 6 . 1 1 70 70 SER N N 70 116.269 116.269 116.885 -0.616 19087 2981 1 6 . 1 1 70 70 SER C C 70 173.777 173.777 173.838 -0.061 19087 2982 1 6 . 1 1 70 70 SER CA C 70 56.923 56.923 58.052 -1.129 19087 2983 1 6 . 1 1 70 70 SER CB C 70 63.219 63.219 63.492 -0.273 19087 2984 1 6 . 1 1 70 70 SER H H 70 8.122 8.122 8.394 -0.272 19087 2985 1 6 . 1 1 71 71 LEU N N 71 127.999 127.999 125.948 2.051 19087 2986 1 6 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.895 -0.139 19087 2987 1 6 . 1 1 71 71 LEU CA C 71 52.165 52.165 51.695 0.470 19087 2988 1 6 . 1 1 71 71 LEU CB C 71 44.179 44.179 43.572 0.608 19087 2989 1 6 . 1 1 71 71 LEU H H 71 8.293 8.293 8.364 -0.071 19087 2990 1 6 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.481 -0.121 19087 2991 1 6 . 1 1 72 72 PRO C C 72 176.922 176.922 176.183 0.739 19087 2992 1 6 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.008 0.236 19087 2993 1 6 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.790 0.676 19087 2994 1 6 . 1 1 73 73 ASP N N 73 115.106 115.106 115.405 -0.299 19087 2995 1 6 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.585 -0.027 19087 2996 1 6 . 1 1 73 73 ASP C C 73 175.809 175.809 175.425 0.384 19087 2997 1 6 . 1 1 73 73 ASP CA C 73 55.145 55.145 53.874 1.271 19087 2998 1 6 . 1 1 73 73 ASP CB C 73 40.778 40.778 40.994 -0.216 19087 2999 1 6 . 1 1 73 73 ASP H H 73 8.431 8.431 8.390 0.041 19087 3000 1 6 . 1 1 74 74 VAL N N 74 122.218 122.218 121.921 0.297 19087 3001 1 6 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.091 -0.125 19087 3002 1 6 . 1 1 74 74 VAL C C 74 175.339 175.339 175.617 -0.278 19087 3003 1 6 . 1 1 74 74 VAL CA C 74 63.871 63.871 63.850 0.021 19087 3004 1 6 . 1 1 74 74 VAL CB C 74 32.075 32.075 30.986 1.089 19087 3005 1 6 . 1 1 74 74 VAL H H 74 7.468 7.468 7.343 0.125 19087 3006 1 6 . 1 1 75 75 ALA N N 75 128.630 128.630 131.968 -3.338 19087 3007 1 6 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.714 -0.289 19087 3008 1 6 . 1 1 75 75 ALA C C 75 176.404 176.404 176.575 -0.171 19087 3009 1 6 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.507 -0.080 19087 3010 1 6 . 1 1 75 75 ALA CB C 75 20.471 20.471 20.760 -0.289 19087 3011 1 6 . 1 1 75 75 ALA H H 75 8.581 8.581 8.324 0.257 19087 3012 1 6 . 1 1 76 76 ALA N N 76 120.481 120.481 120.276 0.205 19087 3013 1 6 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.588 0.069 19087 3014 1 6 . 1 1 76 76 ALA C C 76 175.925 175.925 175.643 0.282 19087 3015 1 6 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.190 -0.195 19087 3016 1 6 . 1 1 76 76 ALA CB C 76 22.365 22.365 21.111 1.254 19087 3017 1 6 . 1 1 76 76 ALA H H 76 7.438 7.438 7.591 -0.153 19087 3018 1 6 . 1 1 77 77 THR N N 77 121.464 121.464 117.262 4.202 19087 3019 1 6 . 1 1 77 77 THR HA H 77 4.734 4.734 4.214 0.520 19087 3020 1 6 . 1 1 77 77 THR C C 77 174.143 174.143 173.688 0.455 19087 3021 1 6 . 1 1 77 77 THR CA C 77 63.914 63.914 63.022 0.892 19087 3022 1 6 . 1 1 77 77 THR CB C 77 70.070 70.070 68.382 1.688 19087 3023 1 6 . 1 1 77 77 THR H H 77 8.390 8.390 8.406 -0.016 19087 3024 1 6 . 1 1 78 78 THR N N 78 123.538 123.538 123.596 -0.058 19087 3025 1 6 . 1 1 78 78 THR HA H 78 4.644 4.644 4.859 -0.215 19087 3026 1 6 . 1 1 78 78 THR C C 78 181.684 181.684 172.999 8.685 19087 3027 1 6 . 1 1 78 78 THR CA C 78 62.511 62.511 61.689 0.822 19087 3028 1 6 . 1 1 78 78 THR CB C 78 72.846 72.846 73.131 -0.285 19087 3029 1 6 . 1 1 78 78 THR H H 78 8.355 8.355 8.204 0.151 19087 3030 1 6 . 1 1 79 79 VAL N N 79 126.455 126.455 125.100 1.355 19087 3031 1 6 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.145 0.451 19087 3032 1 6 . 1 1 79 79 VAL C C 79 173.702 173.702 174.868 -1.166 19087 3033 1 6 . 1 1 79 79 VAL CA C 79 60.385 60.385 62.313 -1.928 19087 3034 1 6 . 1 1 79 79 VAL CB C 79 33.089 33.089 32.066 1.024 19087 3035 1 6 . 1 1 79 79 VAL H H 79 8.685 8.685 8.563 0.122 19087 3036 1 6 . 1 1 80 80 TYR N N 80 123.574 123.574 128.328 -4.754 19087 3037 1 6 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.029 1.371 19087 3038 1 6 . 1 1 80 80 TYR C C 80 176.410 176.410 174.967 1.443 19087 3039 1 6 . 1 1 80 80 TYR CA C 80 56.608 56.608 54.646 1.962 19087 3040 1 6 . 1 1 80 80 TYR CB C 80 42.567 42.567 37.468 5.099 19087 3041 1 6 . 1 1 80 80 TYR H H 80 9.702 9.702 8.427 1.275 19087 3042 1 6 . 1 1 81 81 TYR N N 81 117.754 117.754 120.195 -2.441 19087 3043 1 6 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.041 0.433 19087 3044 1 6 . 1 1 81 81 TYR C C 81 173.237 173.237 174.066 -0.829 19087 3045 1 6 . 1 1 81 81 TYR CA C 81 55.498 55.498 54.986 0.512 19087 3046 1 6 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.461 1.788 19087 3047 1 6 . 1 1 81 81 TYR H H 81 8.221 8.221 7.978 0.243 19087 3048 1 6 . 1 1 82 82 THR N N 82 111.056 111.056 116.643 -5.587 19087 3049 1 6 . 1 1 82 82 THR HA H 82 4.724 4.724 4.346 0.378 19087 3050 1 6 . 1 1 82 82 THR C C 82 174.521 174.521 174.763 -0.242 19087 3051 1 6 . 1 1 82 82 THR CA C 82 60.896 60.896 62.164 -1.268 19087 3052 1 6 . 1 1 82 82 THR CB C 82 71.506 71.506 70.290 1.216 19087 3053 1 6 . 1 1 82 82 THR H H 82 8.245 8.245 8.298 -0.053 19087 3054 1 6 . 1 1 83 83 GLU N N 83 117.058 117.058 121.500 -4.442 19087 3055 1 6 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.539 -0.062 19087 3056 1 6 . 1 1 83 83 GLU C C 83 176.152 176.152 176.232 -0.080 19087 3057 1 6 . 1 1 83 83 GLU CA C 83 57.179 57.179 55.927 1.252 19087 3058 1 6 . 1 1 83 83 GLU CB C 83 28.714 28.714 30.172 -1.458 19087 3059 1 6 . 1 1 83 83 GLU H H 83 8.772 8.772 8.664 0.108 19087 3060 1 6 . 1 1 84 84 VAL N N 84 123.039 123.039 120.990 2.049 19087 3061 1 6 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.932 -0.038 19087 3062 1 6 . 1 1 84 84 VAL C C 84 177.170 177.170 176.728 0.442 19087 3063 1 6 . 1 1 84 84 VAL CA C 84 63.678 63.678 63.887 -0.209 19087 3064 1 6 . 1 1 84 84 VAL CB C 84 32.474 32.474 31.912 0.562 19087 3065 1 6 . 1 1 84 84 VAL H H 84 7.818 7.818 7.640 0.178 19087 3066 1 6 . 1 1 85 85 GLU N N 85 129.351 129.351 126.780 2.571 19087 3067 1 6 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.954 -0.062 19087 3068 1 6 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.639 0.366 19087 3069 1 6 . 1 1 85 85 GLU CB C 85 29.523 29.523 29.002 0.521 19087 3070 1 6 . 1 1 85 85 GLU H H 85 8.796 8.796 9.103 -0.307 19087 3071 1 6 . 1 1 86 86 GLY C C 86 176.321 176.321 174.752 1.569 19087 3072 1 6 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.146 0.730 19087 3073 1 6 . 1 1 87 87 GLU N N 87 121.773 121.773 121.194 0.579 19087 3074 1 6 . 1 1 87 87 GLU HA H 87 3.948 3.948 4.028 -0.080 19087 3075 1 6 . 1 1 87 87 GLU C C 87 178.276 178.276 177.886 0.390 19087 3076 1 6 . 1 1 87 87 GLU CA C 87 61.762 61.762 59.977 1.785 19087 3077 1 6 . 1 1 87 87 GLU CB C 87 30.096 30.096 30.061 0.035 19087 3078 1 6 . 1 1 87 87 GLU H H 87 8.133 8.133 7.893 0.240 19087 3079 1 6 . 1 1 88 88 ARG N N 88 121.466 121.466 118.343 3.123 19087 3080 1 6 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.872 -0.510 19087 3081 1 6 . 1 1 88 88 ARG C C 88 177.229 177.229 177.335 -0.106 19087 3082 1 6 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.948 0.545 19087 3083 1 6 . 1 1 88 88 ARG CB C 88 29.059 29.059 28.539 0.520 19087 3084 1 6 . 1 1 88 88 ARG H H 88 9.132 9.132 8.451 0.681 19087 3085 1 6 . 1 1 89 89 ALA N N 89 119.527 119.527 122.013 -2.486 19087 3086 1 6 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.117 0.066 19087 3087 1 6 . 1 1 89 89 ALA C C 89 181.949 181.949 179.177 2.772 19087 3088 1 6 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.553 0.729 19087 3089 1 6 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.199 -0.071 19087 3090 1 6 . 1 1 89 89 ALA H H 89 8.388 8.388 7.743 0.645 19087 3091 1 6 . 1 1 90 90 THR N N 90 115.279 115.279 112.556 2.723 19087 3092 1 6 . 1 1 90 90 THR HA H 90 4.146 4.146 4.239 -0.093 19087 3093 1 6 . 1 1 90 90 THR C C 90 175.118 175.118 176.328 -1.210 19087 3094 1 6 . 1 1 90 90 THR CA C 90 66.607 66.607 64.746 1.861 19087 3095 1 6 . 1 1 90 90 THR CB C 90 68.971 68.971 68.782 0.189 19087 3096 1 6 . 1 1 90 90 THR H H 90 7.640 7.640 7.876 -0.236 19087 3097 1 6 . 1 1 91 91 ALA N N 91 124.784 124.784 123.737 1.047 19087 3098 1 6 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.040 -0.271 19087 3099 1 6 . 1 1 91 91 ALA C C 91 178.546 178.546 178.673 -0.127 19087 3100 1 6 . 1 1 91 91 ALA CA C 91 55.552 55.552 55.014 0.538 19087 3101 1 6 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.447 0.806 19087 3102 1 6 . 1 1 91 91 ALA H H 91 9.095 9.095 7.470 1.625 19087 3103 1 6 . 1 1 92 92 ASP N N 92 118.310 118.310 119.165 -0.855 19087 3104 1 6 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.286 0.131 19087 3105 1 6 . 1 1 92 92 ASP C C 92 179.053 179.053 178.190 0.863 19087 3106 1 6 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.139 0.503 19087 3107 1 6 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.686 -0.257 19087 3108 1 6 . 1 1 92 92 ASP H H 92 8.898 8.898 7.873 1.025 19087 3109 1 6 . 1 1 93 93 ALA N N 93 122.980 122.980 121.246 1.734 19087 3110 1 6 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.070 0.204 19087 3111 1 6 . 1 1 93 93 ALA C C 93 180.933 180.933 179.575 1.358 19087 3112 1 6 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.104 0.471 19087 3113 1 6 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.461 -0.285 19087 3114 1 6 . 1 1 93 93 ALA H H 93 7.424 7.424 7.577 -0.153 19087 3115 1 6 . 1 1 94 94 VAL N N 94 123.968 123.968 118.230 5.738 19087 3116 1 6 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.739 -0.795 19087 3117 1 6 . 1 1 94 94 VAL C C 94 178.269 178.269 178.089 0.180 19087 3118 1 6 . 1 1 94 94 VAL CA C 94 66.399 66.399 66.009 0.390 19087 3119 1 6 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.670 -0.967 19087 3120 1 6 . 1 1 94 94 VAL H H 94 8.808 8.808 7.381 1.427 19087 3121 1 6 . 1 1 95 95 GLY N N 95 108.282 108.282 106.890 1.392 19087 3122 1 6 . 1 1 95 95 GLY C C 95 176.440 176.440 175.323 1.117 19087 3123 1 6 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.164 0.755 19087 3124 1 6 . 1 1 95 95 GLY H H 95 9.355 9.355 8.420 0.935 19087 3125 1 6 . 1 1 96 96 ARG N N 96 120.852 120.852 120.465 0.387 19087 3126 1 6 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.130 0.073 19087 3127 1 6 . 1 1 96 96 ARG C C 96 179.101 179.101 178.237 0.864 19087 3128 1 6 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.933 0.277 19087 3129 1 6 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.326 0.208 19087 3130 1 6 . 1 1 96 96 ARG H H 96 8.112 8.112 7.606 0.506 19087 3131 1 6 . 1 1 97 97 THR N N 97 117.170 117.170 114.943 2.227 19087 3132 1 6 . 1 1 97 97 THR HA H 97 3.986 3.986 4.053 -0.067 19087 3133 1 6 . 1 1 97 97 THR C C 97 175.451 175.451 176.573 -1.122 19087 3134 1 6 . 1 1 97 97 THR CA C 97 66.867 66.867 65.495 1.372 19087 3135 1 6 . 1 1 97 97 THR CB C 97 68.205 68.205 68.885 -0.680 19087 3136 1 6 . 1 1 97 97 THR H H 97 7.854 7.854 7.736 0.118 19087 3137 1 6 . 1 1 98 98 LEU N N 98 115.294 115.294 120.513 -5.219 19087 3138 1 6 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.218 0.087 19087 3139 1 6 . 1 1 98 98 LEU C C 98 177.537 177.537 177.408 0.129 19087 3140 1 6 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.355 -0.772 19087 3141 1 6 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.591 0.782 19087 3142 1 6 . 1 1 98 98 LEU H H 98 7.855 7.855 7.963 -0.108 19087 3143 1 6 . 1 1 99 99 GLY N N 99 111.931 111.931 106.774 5.157 19087 3144 1 6 . 1 1 99 99 GLY C C 99 173.997 173.997 174.146 -0.149 19087 3145 1 6 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.122 1.871 19087 3146 1 6 . 1 1 99 99 GLY H H 99 8.101 8.101 7.644 0.457 19087 3147 1 6 . 1 1 100 100 ALA N N 100 121.739 121.739 122.092 -0.353 19087 3148 1 6 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.560 0.177 19087 3149 1 6 . 1 1 100 100 ALA C C 100 175.351 175.351 175.565 -0.214 19087 3150 1 6 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.687 -0.281 19087 3151 1 6 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.385 2.574 19087 3152 1 6 . 1 1 100 100 ALA H H 100 8.033 8.033 7.674 0.359 19087 3153 1 6 . 1 1 101 101 ALA N N 101 122.895 122.895 121.904 0.991 19087 3154 1 6 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.704 -0.495 19087 3155 1 6 . 1 1 101 101 ALA C C 101 175.179 175.179 175.924 -0.745 19087 3156 1 6 . 1 1 101 101 ALA CA C 101 52.737 52.737 51.939 0.798 19087 3157 1 6 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.766 0.048 19087 3158 1 6 . 1 1 101 101 ALA H H 101 7.782 7.782 8.098 -0.316 19087 3159 1 6 . 1 1 102 102 VAL N N 102 120.035 120.035 115.877 4.158 19087 3160 1 6 . 1 1 102 102 VAL HA H 102 5.054 5.054 4.967 0.087 19087 3161 1 6 . 1 1 102 102 VAL C C 102 176.587 176.587 174.247 2.340 19087 3162 1 6 . 1 1 102 102 VAL CA C 102 60.988 60.988 59.254 1.734 19087 3163 1 6 . 1 1 102 102 VAL CB C 102 33.725 33.725 34.989 -1.264 19087 3164 1 6 . 1 1 102 102 VAL H H 102 7.872 7.872 8.027 -0.155 19087 3165 1 6 . 1 1 103 103 GLU N N 103 126.469 126.469 123.605 2.864 19087 3166 1 6 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.567 0.312 19087 3167 1 6 . 1 1 103 103 GLU C C 103 174.343 174.343 173.770 0.573 19087 3168 1 6 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.257 0.094 19087 3169 1 6 . 1 1 103 103 GLU CB C 103 35.595 35.595 32.278 3.317 19087 3170 1 6 . 1 1 103 103 GLU H H 103 9.215 9.215 8.901 0.314 19087 3171 1 6 . 1 1 104 104 LEU N N 104 123.109 123.109 118.926 4.183 19087 3172 1 6 . 1 1 104 104 LEU HA H 104 3.591 3.591 4.140 -0.549 19087 3173 1 6 . 1 1 104 104 LEU C C 104 178.379 178.379 178.317 0.062 19087 3174 1 6 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.263 -0.343 19087 3175 1 6 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.363 0.547 19087 3176 1 6 . 1 1 104 104 LEU H H 104 8.273 8.273 8.392 -0.119 19087 3177 1 6 . 1 1 105 105 ARG N N 105 119.790 119.790 118.579 1.211 19087 3178 1 6 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.201 0.060 19087 3179 1 6 . 1 1 105 105 ARG C C 105 177.043 177.043 177.106 -0.063 19087 3180 1 6 . 1 1 105 105 ARG CA C 105 59.310 59.310 57.483 1.827 19087 3181 1 6 . 1 1 105 105 ARG CB C 105 32.077 32.077 29.399 2.678 19087 3182 1 6 . 1 1 105 105 ARG H H 105 8.300 8.300 8.269 0.031 19087 3183 1 6 . 1 1 106 106 LEU N N 106 122.431 122.431 121.690 0.741 19087 3184 1 6 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.147 0.251 19087 3185 1 6 . 1 1 106 106 LEU CA C 106 54.701 54.701 57.986 -3.285 19087 3186 1 6 . 1 1 106 106 LEU CB C 106 42.469 42.469 38.918 3.551 19087 3187 1 6 . 1 1 106 106 LEU H H 106 8.026 8.026 8.200 -0.174 19087 3188 1 6 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.124 0.115 19087 3189 1 6 . 1 1 107 107 PRO C C 107 179.627 179.627 178.590 1.037 19087 3190 1 6 . 1 1 107 107 PRO CA C 107 65.898 65.898 64.394 1.504 19087 3191 1 6 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.014 0.505 19087 3192 1 6 . 1 1 108 108 GLU N N 108 116.744 116.744 119.104 -2.360 19087 3193 1 6 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.097 0.001 19087 3194 1 6 . 1 1 108 108 GLU C C 108 176.957 176.957 178.076 -1.119 19087 3195 1 6 . 1 1 108 108 GLU CA C 108 59.584 59.584 59.077 0.507 19087 3196 1 6 . 1 1 108 108 GLU CB C 108 29.157 29.157 29.353 -0.196 19087 3197 1 6 . 1 1 108 108 GLU H H 108 9.605 9.605 8.207 1.398 19087 3198 1 6 . 1 1 109 109 LEU N N 109 116.575 116.575 119.392 -2.817 19087 3199 1 6 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.200 0.330 19087 3200 1 6 . 1 1 109 109 LEU C C 109 177.894 177.894 178.241 -0.347 19087 3201 1 6 . 1 1 109 109 LEU CA C 109 53.489 53.489 57.097 -3.608 19087 3202 1 6 . 1 1 109 109 LEU CB C 109 42.241 42.241 41.235 1.006 19087 3203 1 6 . 1 1 109 109 LEU H H 109 7.630 7.630 7.976 -0.346 19087 3204 1 6 . 1 1 110 110 SER N N 110 117.031 117.031 115.016 2.015 19087 3205 1 6 . 1 1 110 110 SER HA H 110 3.943 3.943 4.197 -0.254 19087 3206 1 6 . 1 1 110 110 SER C C 110 174.273 174.273 175.382 -1.109 19087 3207 1 6 . 1 1 110 110 SER CA C 110 59.543 59.543 61.293 -1.750 19087 3208 1 6 . 1 1 110 110 SER CB C 110 63.609 63.609 63.335 0.274 19087 3209 1 6 . 1 1 110 110 SER H H 110 7.757 7.757 7.889 -0.132 19087 3210 1 6 . 1 1 111 111 ASP N N 111 117.804 117.804 120.401 -2.597 19087 3211 1 6 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.592 -0.010 19087 3212 1 6 . 1 1 111 111 ASP C C 111 176.760 176.760 175.692 1.068 19087 3213 1 6 . 1 1 111 111 ASP CA C 111 53.976 53.976 54.478 -0.502 19087 3214 1 6 . 1 1 111 111 ASP CB C 111 40.183 40.183 41.531 -1.348 19087 3215 1 6 . 1 1 111 111 ASP H H 111 8.315 8.315 7.787 0.528 19087 3216 1 6 . 1 1 112 112 GLN N N 112 119.300 119.300 118.402 0.898 19087 3217 1 6 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.235 0.065 19087 3218 1 6 . 1 1 112 112 GLN CA C 112 55.014 55.014 56.035 -1.020 19087 3219 1 6 . 1 1 112 112 GLN CB C 112 26.568 26.568 27.465 -0.897 19087 3220 1 6 . 1 1 112 112 GLN H H 112 7.212 7.212 7.809 -0.597 19087 3221 1 6 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.545 -0.018 19087 3222 1 6 . 1 1 114 114 PRO C C 114 175.464 175.464 176.069 -0.605 19087 3223 1 6 . 1 1 114 114 PRO CA C 114 64.069 64.069 62.795 1.274 19087 3224 1 6 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.104 0.343 19087 3225 1 6 . 1 1 115 115 GLY N N 115 113.817 113.817 109.910 3.907 19087 3226 1 6 . 1 1 115 115 GLY C C 115 173.552 173.552 172.923 0.629 19087 3227 1 6 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.350 -0.397 19087 3228 1 6 . 1 1 115 115 GLY H H 115 8.443 8.443 8.113 0.330 19087 3229 1 6 . 1 1 116 116 VAL N N 116 122.049 122.049 121.041 1.008 19087 3230 1 6 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.593 -0.462 19087 3231 1 6 . 1 1 116 116 VAL C C 116 174.533 174.533 175.246 -0.713 19087 3232 1 6 . 1 1 116 116 VAL CA C 116 63.916 63.916 60.520 3.396 19087 3233 1 6 . 1 1 116 116 VAL CB C 116 32.342 32.342 33.572 -1.230 19087 3234 1 6 . 1 1 116 116 VAL H H 116 8.957 8.957 8.137 0.820 19087 3235 1 6 . 1 1 117 117 ILE N N 117 126.102 126.102 124.942 1.160 19087 3236 1 6 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.260 -0.321 19087 3237 1 6 . 1 1 117 117 ILE C C 117 174.181 174.181 174.725 -0.544 19087 3238 1 6 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.792 1.277 19087 3239 1 6 . 1 1 117 117 ILE CB C 117 42.368 42.368 39.634 2.734 19087 3240 1 6 . 1 1 117 117 ILE H H 117 7.863 7.863 8.361 -0.498 19087 3241 1 6 . 1 1 118 118 VAL N N 118 127.665 127.665 126.742 0.923 19087 3242 1 6 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.123 0.801 19087 3243 1 6 . 1 1 118 118 VAL C C 118 175.224 175.224 174.943 0.281 19087 3244 1 6 . 1 1 118 118 VAL CA C 118 60.580 60.580 60.998 -0.418 19087 3245 1 6 . 1 1 118 118 VAL CB C 118 33.945 33.945 31.281 2.664 19087 3246 1 6 . 1 1 118 118 VAL H H 118 9.348 9.348 8.223 1.125 19087 3247 1 6 . 1 1 119 119 VAL N N 119 121.828 121.828 130.264 -8.436 19087 3248 1 6 . 1 1 119 119 VAL HA H 119 5.563 5.563 4.766 0.797 19087 3249 1 6 . 1 1 119 119 VAL C C 119 174.425 174.425 175.349 -0.924 19087 3250 1 6 . 1 1 119 119 VAL CA C 119 58.691 58.691 61.442 -2.751 19087 3251 1 6 . 1 1 119 119 VAL CB C 119 32.886 32.886 32.658 0.228 19087 3252 1 6 . 1 1 119 119 VAL H H 119 9.096 9.096 8.152 0.944 19087 3253 1 6 . 1 1 120 120 VAL N N 120 120.260 120.260 126.895 -6.635 19087 3254 1 6 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.458 0.360 19087 3255 1 6 . 1 1 120 120 VAL C C 120 175.649 175.649 175.297 0.352 19087 3256 1 6 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.123 0.508 19087 3257 1 6 . 1 1 120 120 VAL CB C 120 34.550 34.550 34.123 0.427 19087 3258 1 6 . 1 1 120 120 VAL H H 120 8.809 8.809 8.448 0.361 19087 3259 1 6 . 1 1 121 121 THR N N 121 114.564 114.564 116.723 -2.159 19087 3260 1 6 . 1 1 121 121 THR HA H 121 4.428 4.428 4.586 -0.158 19087 3261 1 6 . 1 1 121 121 THR C C 121 173.833 173.833 173.957 -0.124 19087 3262 1 6 . 1 1 121 121 THR CA C 121 60.834 60.834 59.750 1.084 19087 3263 1 6 . 1 1 121 121 THR CB C 121 69.413 69.413 70.195 -0.782 19087 3264 1 6 . 1 1 121 121 THR H H 121 7.859 7.859 8.284 -0.425 19087 3265 1 7 . 1 1 6 6 SER C C 6 174.665 174.665 174.850 -0.185 19087 3266 1 7 . 1 1 6 6 SER CA C 6 58.745 58.745 57.892 0.853 19087 3267 1 7 . 1 1 6 6 SER CB C 6 63.870 63.870 62.925 0.945 19087 3268 1 7 . 1 1 7 7 GLU N N 7 122.278 122.278 122.998 -0.720 19087 3269 1 7 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.344 0.384 19087 3270 1 7 . 1 1 7 7 GLU C C 7 176.279 176.279 176.453 -0.174 19087 3271 1 7 . 1 1 7 7 GLU CA C 7 56.894 56.894 56.363 0.531 19087 3272 1 7 . 1 1 7 7 GLU CB C 7 30.209 30.209 30.041 0.168 19087 3273 1 7 . 1 1 7 7 GLU H H 7 8.475 8.475 8.764 -0.289 19087 3274 1 7 . 1 1 8 8 ASP N N 8 120.753 120.753 120.080 0.673 19087 3275 1 7 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.440 0.269 19087 3276 1 7 . 1 1 8 8 ASP C C 8 176.070 176.070 176.162 -0.092 19087 3277 1 7 . 1 1 8 8 ASP CA C 8 54.366 54.366 55.531 -1.165 19087 3278 1 7 . 1 1 8 8 ASP CB C 8 41.459 41.459 40.795 0.664 19087 3279 1 7 . 1 1 8 8 ASP H H 8 8.206 8.206 7.982 0.224 19087 3280 1 7 . 1 1 9 9 ASP N N 9 121.430 121.430 118.091 3.339 19087 3281 1 7 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.436 0.268 19087 3282 1 7 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.584 -0.140 19087 3283 1 7 . 1 1 9 9 ASP CB C 9 41.220 41.220 41.303 -0.083 19087 3284 1 7 . 1 1 9 9 ASP H H 9 8.256 8.256 8.514 -0.258 19087 3285 1 7 . 1 1 11 11 SER C C 11 174.517 174.517 172.740 1.777 19087 3286 1 7 . 1 1 11 11 SER CA C 11 59.364 59.364 59.399 -0.035 19087 3287 1 7 . 1 1 11 11 SER CB C 11 63.989 63.989 63.572 0.417 19087 3288 1 7 . 1 1 12 12 ALA N N 12 125.500 125.500 130.138 -4.638 19087 3289 1 7 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.750 -0.394 19087 3290 1 7 . 1 1 12 12 ALA C C 12 177.811 177.811 175.538 2.273 19087 3291 1 7 . 1 1 12 12 ALA CA C 12 52.815 52.815 52.953 -0.138 19087 3292 1 7 . 1 1 12 12 ALA CB C 12 19.204 19.204 19.727 -0.523 19087 3293 1 7 . 1 1 12 12 ALA H H 12 8.087 8.087 8.657 -0.570 19087 3294 1 7 . 1 1 13 13 ILE N N 13 119.045 119.045 122.052 -3.007 19087 3295 1 7 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.484 -0.291 19087 3296 1 7 . 1 1 13 13 ILE CA C 13 61.163 61.163 60.358 0.805 19087 3297 1 7 . 1 1 13 13 ILE CB C 13 38.721 38.721 39.575 -0.854 19087 3298 1 7 . 1 1 13 13 ILE H H 13 7.938 7.938 8.298 -0.360 19087 3299 1 7 . 1 1 14 14 SER N N 14 119.662 119.662 122.862 -3.200 19087 3300 1 7 . 1 1 14 14 SER H H 14 8.339 8.339 8.939 -0.600 19087 3301 1 7 . 1 1 21 21 ALA HA H 21 4.286 4.286 5.191 -0.905 19087 3302 1 7 . 1 1 21 21 ALA C C 21 177.013 177.013 175.507 1.506 19087 3303 1 7 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.469 0.116 19087 3304 1 7 . 1 1 21 21 ALA CB C 21 19.339 19.339 20.762 -1.423 19087 3305 1 7 . 1 1 22 22 ALA N N 22 124.579 124.579 126.061 -1.482 19087 3306 1 7 . 1 1 22 22 ALA HA H 22 4.725 4.725 5.130 -0.405 19087 3307 1 7 . 1 1 22 22 ALA CA C 22 50.310 50.310 51.058 -0.748 19087 3308 1 7 . 1 1 22 22 ALA CB C 22 18.232 18.232 19.474 -1.242 19087 3309 1 7 . 1 1 22 22 ALA H H 22 8.182 8.182 8.820 -0.638 19087 3310 1 7 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.502 -0.367 19087 3311 1 7 . 1 1 28 28 VAL C C 28 175.779 175.779 173.947 1.832 19087 3312 1 7 . 1 1 28 28 VAL CA C 28 62.167 62.167 61.510 0.657 19087 3313 1 7 . 1 1 28 28 VAL CB C 28 32.681 32.681 33.564 -0.883 19087 3314 1 7 . 1 1 29 29 LYS N N 29 126.858 126.858 126.588 0.270 19087 3315 1 7 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.763 -0.051 19087 3316 1 7 . 1 1 29 29 LYS CA C 29 54.135 54.135 54.270 -0.135 19087 3317 1 7 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.796 -0.150 19087 3318 1 7 . 1 1 29 29 LYS H H 29 8.346 8.346 8.434 -0.088 19087 3319 1 7 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.540 -0.138 19087 3320 1 7 . 1 1 30 30 PRO C C 30 176.435 176.435 175.515 0.920 19087 3321 1 7 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.615 0.161 19087 3322 1 7 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.425 -0.271 19087 3323 1 7 . 1 1 31 31 ALA N N 31 124.680 124.680 122.067 2.613 19087 3324 1 7 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.959 -0.612 19087 3325 1 7 . 1 1 31 31 ALA C C 31 176.860 176.860 176.018 0.842 19087 3326 1 7 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.456 0.860 19087 3327 1 7 . 1 1 31 31 ALA CB C 31 19.398 19.398 21.059 -1.661 19087 3328 1 7 . 1 1 31 31 ALA H H 31 8.324 8.324 8.568 -0.244 19087 3329 1 7 . 1 1 32 32 ALA N N 32 125.011 125.011 125.217 -0.206 19087 3330 1 7 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.667 0.069 19087 3331 1 7 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.619 -0.132 19087 3332 1 7 . 1 1 32 32 ALA CB C 32 18.203 18.203 18.580 -0.377 19087 3333 1 7 . 1 1 32 32 ALA H H 32 8.246 8.246 8.409 -0.163 19087 3334 1 7 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.694 -0.228 19087 3335 1 7 . 1 1 33 33 PRO C C 33 176.834 176.834 176.165 0.669 19087 3336 1 7 . 1 1 33 33 PRO CA C 33 62.825 62.825 61.883 0.942 19087 3337 1 7 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.921 -0.926 19087 3338 1 7 . 1 1 34 34 ARG N N 34 121.170 121.170 120.191 0.979 19087 3339 1 7 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.510 -0.124 19087 3340 1 7 . 1 1 34 34 ARG C C 34 175.853 175.853 174.941 0.912 19087 3341 1 7 . 1 1 34 34 ARG CA C 34 55.912 55.912 55.692 0.220 19087 3342 1 7 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.029 0.643 19087 3343 1 7 . 1 1 34 34 ARG H H 34 8.349 8.349 8.327 0.022 19087 3344 1 7 . 1 1 35 35 ALA N N 35 124.878 124.878 125.384 -0.506 19087 3345 1 7 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.598 0.014 19087 3346 1 7 . 1 1 35 35 ALA C C 35 176.170 176.170 175.528 0.642 19087 3347 1 7 . 1 1 35 35 ALA CA C 35 51.566 51.566 52.342 -0.776 19087 3348 1 7 . 1 1 35 35 ALA CB C 35 20.722 20.722 20.235 0.487 19087 3349 1 7 . 1 1 35 35 ALA H H 35 8.008 8.008 8.452 -0.444 19087 3350 1 7 . 1 1 36 36 GLU N N 36 119.776 119.776 125.982 -6.206 19087 3351 1 7 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.592 -0.161 19087 3352 1 7 . 1 1 36 36 GLU C C 36 174.618 174.618 175.301 -0.683 19087 3353 1 7 . 1 1 36 36 GLU CA C 36 56.472 56.472 55.703 0.770 19087 3354 1 7 . 1 1 36 36 GLU CB C 36 31.124 31.124 29.912 1.212 19087 3355 1 7 . 1 1 36 36 GLU H H 36 8.495 8.495 8.754 -0.259 19087 3356 1 7 . 1 1 37 37 VAL N N 37 119.808 119.808 125.840 -6.032 19087 3357 1 7 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.675 0.227 19087 3358 1 7 . 1 1 37 37 VAL C C 37 174.285 174.285 174.760 -0.475 19087 3359 1 7 . 1 1 37 37 VAL CA C 37 60.639 60.639 61.798 -1.159 19087 3360 1 7 . 1 1 37 37 VAL CB C 37 34.612 34.612 32.192 2.420 19087 3361 1 7 . 1 1 37 37 VAL H H 37 8.494 8.494 8.756 -0.262 19087 3362 1 7 . 1 1 38 38 ARG N N 38 124.534 124.534 126.225 -1.691 19087 3363 1 7 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.373 -0.447 19087 3364 1 7 . 1 1 38 38 ARG C C 38 174.239 174.239 174.322 -0.083 19087 3365 1 7 . 1 1 38 38 ARG CA C 38 55.092 55.092 53.889 1.203 19087 3366 1 7 . 1 1 38 38 ARG CB C 38 34.190 34.190 33.936 0.254 19087 3367 1 7 . 1 1 38 38 ARG H H 38 8.652 8.652 9.140 -0.488 19087 3368 1 7 . 1 1 39 39 VAL N N 39 121.231 121.231 123.334 -2.103 19087 3369 1 7 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.496 0.302 19087 3370 1 7 . 1 1 39 39 VAL C C 39 173.357 173.357 174.525 -1.168 19087 3371 1 7 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.005 -0.367 19087 3372 1 7 . 1 1 39 39 VAL CB C 39 34.294 34.294 32.379 1.915 19087 3373 1 7 . 1 1 39 39 VAL H H 39 7.934 7.934 8.522 -0.588 19087 3374 1 7 . 1 1 40 40 TYR N N 40 122.262 122.262 126.113 -3.851 19087 3375 1 7 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.334 -0.180 19087 3376 1 7 . 1 1 40 40 TYR C C 40 175.124 175.124 174.779 0.345 19087 3377 1 7 . 1 1 40 40 TYR CA C 40 55.540 55.540 56.200 -0.660 19087 3378 1 7 . 1 1 40 40 TYR CB C 40 42.223 42.223 40.121 2.102 19087 3379 1 7 . 1 1 40 40 TYR H H 40 9.343 9.343 8.812 0.531 19087 3380 1 7 . 1 1 41 41 ASN N N 41 121.684 121.684 121.972 -0.288 19087 3381 1 7 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.279 -0.247 19087 3382 1 7 . 1 1 41 41 ASN C C 41 176.301 176.301 174.470 1.831 19087 3383 1 7 . 1 1 41 41 ASN CA C 41 52.635 52.635 52.141 0.494 19087 3384 1 7 . 1 1 41 41 ASN CB C 41 39.836 39.836 40.637 -0.801 19087 3385 1 7 . 1 1 41 41 ASN H H 41 9.287 9.287 8.564 0.723 19087 3386 1 7 . 1 1 42 42 ILE N N 42 119.462 119.462 125.548 -6.086 19087 3387 1 7 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.691 0.759 19087 3388 1 7 . 1 1 42 42 ILE C C 42 176.450 176.450 175.537 0.913 19087 3389 1 7 . 1 1 42 42 ILE CA C 42 60.513 60.513 61.004 -0.491 19087 3390 1 7 . 1 1 42 42 ILE CB C 42 38.597 38.597 39.948 -1.351 19087 3391 1 7 . 1 1 42 42 ILE H H 42 8.541 8.541 8.317 0.224 19087 3392 1 7 . 1 1 43 43 SER N N 43 118.212 118.212 115.484 2.728 19087 3393 1 7 . 1 1 43 43 SER HA H 43 4.729 4.729 4.621 0.108 19087 3394 1 7 . 1 1 43 43 SER CA C 43 58.598 58.598 57.681 0.917 19087 3395 1 7 . 1 1 43 43 SER CB C 43 66.262 66.262 64.874 1.388 19087 3396 1 7 . 1 1 43 43 SER H H 43 8.142 8.142 7.617 0.525 19087 3397 1 7 . 1 1 44 44 GLY C C 44 174.414 174.414 173.785 0.629 19087 3398 1 7 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.453 -0.074 19087 3399 1 7 . 1 1 45 45 THR N N 45 116.371 116.371 116.519 -0.148 19087 3400 1 7 . 1 1 45 45 THR HA H 45 4.384 4.384 4.549 -0.165 19087 3401 1 7 . 1 1 45 45 THR CA C 45 61.814 61.814 60.239 1.575 19087 3402 1 7 . 1 1 45 45 THR CB C 45 69.787 69.787 70.170 -0.383 19087 3403 1 7 . 1 1 45 45 THR H H 45 8.298 8.298 7.690 0.608 19087 3404 1 7 . 1 1 47 47 GLY C C 47 175.691 175.691 175.223 0.468 19087 3405 1 7 . 1 1 47 47 GLY CA C 47 46.191 46.191 45.906 0.285 19087 3406 1 7 . 1 1 48 48 ALA N N 48 121.957 121.957 123.575 -1.618 19087 3407 1 7 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.012 0.017 19087 3408 1 7 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.395 1.007 19087 3409 1 7 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.290 0.202 19087 3410 1 7 . 1 1 48 48 ALA H H 48 7.511 7.511 7.873 -0.362 19087 3411 1 7 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.869 0.115 19087 3412 1 7 . 1 1 49 49 ALA C C 49 178.073 178.073 178.647 -0.574 19087 3413 1 7 . 1 1 49 49 ALA CA C 49 54.861 54.861 55.025 -0.164 19087 3414 1 7 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.444 0.245 19087 3415 1 7 . 1 1 50 50 ALA N N 50 122.654 122.654 119.942 2.712 19087 3416 1 7 . 1 1 50 50 ALA HA H 50 3.989 3.989 4.043 -0.054 19087 3417 1 7 . 1 1 50 50 ALA C C 50 179.642 179.642 179.342 0.300 19087 3418 1 7 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.079 1.772 19087 3419 1 7 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.172 -0.383 19087 3420 1 7 . 1 1 50 50 ALA H H 50 7.965 7.965 7.653 0.312 19087 3421 1 7 . 1 1 51 51 ARG N N 51 116.659 116.659 118.440 -1.781 19087 3422 1 7 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.333 -0.142 19087 3423 1 7 . 1 1 51 51 ARG C C 51 179.931 179.931 178.172 1.759 19087 3424 1 7 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.162 1.350 19087 3425 1 7 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.592 0.871 19087 3426 1 7 . 1 1 51 51 ARG H H 51 7.982 7.982 8.122 -0.140 19087 3427 1 7 . 1 1 52 52 THR N N 52 117.745 117.745 113.016 4.729 19087 3428 1 7 . 1 1 52 52 THR HA H 52 4.162 4.162 4.036 0.126 19087 3429 1 7 . 1 1 52 52 THR C C 52 175.626 175.626 175.968 -0.342 19087 3430 1 7 . 1 1 52 52 THR CA C 52 68.565 68.565 66.305 2.260 19087 3431 1 7 . 1 1 52 52 THR CB C 52 70.787 70.787 68.219 2.568 19087 3432 1 7 . 1 1 52 52 THR H H 52 7.661 7.661 7.631 0.030 19087 3433 1 7 . 1 1 53 53 ALA N N 53 123.939 123.939 124.525 -0.586 19087 3434 1 7 . 1 1 53 53 ALA HA H 53 3.886 3.886 3.958 -0.072 19087 3435 1 7 . 1 1 53 53 ALA C C 53 179.013 179.013 179.187 -0.174 19087 3436 1 7 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.861 1.336 19087 3437 1 7 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.441 0.276 19087 3438 1 7 . 1 1 53 53 ALA H H 53 8.805 8.805 7.442 1.363 19087 3439 1 7 . 1 1 54 54 ASP N N 54 118.351 118.351 118.419 -0.068 19087 3440 1 7 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.214 0.218 19087 3441 1 7 . 1 1 54 54 ASP C C 54 179.376 179.376 178.515 0.861 19087 3442 1 7 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.791 0.216 19087 3443 1 7 . 1 1 54 54 ASP CB C 54 40.242 40.242 40.336 -0.094 19087 3444 1 7 . 1 1 54 54 ASP H H 54 8.327 8.327 7.965 0.362 19087 3445 1 7 . 1 1 55 55 ARG N N 55 121.120 121.120 120.279 0.841 19087 3446 1 7 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.070 0.105 19087 3447 1 7 . 1 1 55 55 ARG C C 55 179.550 179.550 178.818 0.732 19087 3448 1 7 . 1 1 55 55 ARG CA C 55 59.285 59.285 59.227 0.058 19087 3449 1 7 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.241 0.079 19087 3450 1 7 . 1 1 55 55 ARG H H 55 7.723 7.723 7.705 0.018 19087 3451 1 7 . 1 1 56 56 LEU N N 56 118.659 118.659 119.168 -0.509 19087 3452 1 7 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.099 0.233 19087 3453 1 7 . 1 1 56 56 LEU C C 56 179.305 179.305 178.619 0.686 19087 3454 1 7 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.672 -0.235 19087 3455 1 7 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.689 -0.402 19087 3456 1 7 . 1 1 56 56 LEU H H 56 8.215 8.215 7.604 0.611 19087 3457 1 7 . 1 1 57 57 LYS N N 57 122.713 122.713 120.294 2.419 19087 3458 1 7 . 1 1 57 57 LYS HA H 57 4.513 4.513 3.687 0.826 19087 3459 1 7 . 1 1 57 57 LYS C C 57 181.436 181.436 178.779 2.657 19087 3460 1 7 . 1 1 57 57 LYS CA C 57 60.004 60.004 59.361 0.643 19087 3461 1 7 . 1 1 57 57 LYS CB C 57 32.437 32.437 32.069 0.368 19087 3462 1 7 . 1 1 57 57 LYS H H 57 8.914 8.914 8.039 0.875 19087 3463 1 7 . 1 1 58 58 ALA N N 58 122.423 122.423 120.705 1.718 19087 3464 1 7 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.347 -0.137 19087 3465 1 7 . 1 1 58 58 ALA C C 58 178.516 178.516 178.874 -0.358 19087 3466 1 7 . 1 1 58 58 ALA CA C 58 55.069 55.069 54.184 0.885 19087 3467 1 7 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.661 -0.752 19087 3468 1 7 . 1 1 58 58 ALA H H 58 8.026 8.026 7.677 0.349 19087 3469 1 7 . 1 1 59 59 ALA N N 59 118.347 118.347 119.614 -1.267 19087 3470 1 7 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.276 0.210 19087 3471 1 7 . 1 1 59 59 ALA C C 59 176.797 176.797 178.046 -1.249 19087 3472 1 7 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.834 -1.076 19087 3473 1 7 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.801 -0.432 19087 3474 1 7 . 1 1 59 59 ALA H H 59 7.413 7.413 7.591 -0.178 19087 3475 1 7 . 1 1 60 60 GLY N N 60 104.918 104.918 106.930 -2.012 19087 3476 1 7 . 1 1 60 60 GLY C C 60 174.741 174.741 174.314 0.427 19087 3477 1 7 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.663 0.573 19087 3478 1 7 . 1 1 60 60 GLY H H 60 7.694 7.694 7.968 -0.274 19087 3479 1 7 . 1 1 61 61 PHE N N 61 118.862 118.862 118.357 0.505 19087 3480 1 7 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.582 -0.087 19087 3481 1 7 . 1 1 61 61 PHE C C 61 175.204 175.204 175.226 -0.022 19087 3482 1 7 . 1 1 61 61 PHE CA C 61 58.483 58.483 57.124 1.359 19087 3483 1 7 . 1 1 61 61 PHE CB C 61 39.163 39.163 39.245 -0.082 19087 3484 1 7 . 1 1 61 61 PHE H H 61 7.879 7.879 8.111 -0.232 19087 3485 1 7 . 1 1 62 62 THR N N 62 121.319 121.319 115.999 5.320 19087 3486 1 7 . 1 1 62 62 THR HA H 62 4.303 4.303 4.128 0.175 19087 3487 1 7 . 1 1 62 62 THR C C 62 173.073 173.073 174.046 -0.973 19087 3488 1 7 . 1 1 62 62 THR CA C 62 69.389 69.389 63.836 5.553 19087 3489 1 7 . 1 1 62 62 THR CB C 62 62.478 62.478 69.489 -7.011 19087 3490 1 7 . 1 1 62 62 THR H H 62 9.493 9.493 8.671 0.822 19087 3491 1 7 . 1 1 63 63 VAL N N 63 128.406 128.406 120.950 7.456 19087 3492 1 7 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.734 -0.074 19087 3493 1 7 . 1 1 63 63 VAL C C 63 177.267 177.267 174.350 2.917 19087 3494 1 7 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.184 -1.085 19087 3495 1 7 . 1 1 63 63 VAL CB C 63 32.572 32.572 35.833 -3.261 19087 3496 1 7 . 1 1 63 63 VAL H H 63 8.293 8.293 8.006 0.287 19087 3497 1 7 . 1 1 64 64 THR N N 64 118.495 118.495 116.028 2.467 19087 3498 1 7 . 1 1 64 64 THR HA H 64 4.350 4.350 5.701 -1.351 19087 3499 1 7 . 1 1 64 64 THR CA C 64 62.182 62.182 59.280 2.902 19087 3500 1 7 . 1 1 64 64 THR CB C 64 69.143 69.143 71.371 -2.228 19087 3501 1 7 . 1 1 64 64 THR H H 64 8.770 8.770 8.482 0.288 19087 3502 1 7 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.858 -0.557 19087 3503 1 7 . 1 1 65 65 ASP C C 65 173.778 173.778 173.957 -0.179 19087 3504 1 7 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.724 0.563 19087 3505 1 7 . 1 1 65 65 ASP CB C 65 44.018 44.018 44.147 -0.129 19087 3506 1 7 . 1 1 66 66 VAL N N 66 121.705 121.705 119.092 2.613 19087 3507 1 7 . 1 1 66 66 VAL HA H 66 4.863 4.863 5.012 -0.149 19087 3508 1 7 . 1 1 66 66 VAL C C 66 176.234 176.234 174.807 1.427 19087 3509 1 7 . 1 1 66 66 VAL CA C 66 60.597 60.597 59.472 1.125 19087 3510 1 7 . 1 1 66 66 VAL CB C 66 34.120 34.120 35.031 -0.911 19087 3511 1 7 . 1 1 66 66 VAL H H 66 7.849 7.849 8.359 -0.510 19087 3512 1 7 . 1 1 67 67 GLY N N 67 112.050 112.050 111.377 0.673 19087 3513 1 7 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.163 0.454 19087 3514 1 7 . 1 1 67 67 GLY H H 67 8.151 8.151 8.286 -0.135 19087 3515 1 7 . 1 1 68 68 ASN C C 68 173.771 173.771 174.320 -0.549 19087 3516 1 7 . 1 1 68 68 ASN CA C 68 53.062 53.062 51.943 1.119 19087 3517 1 7 . 1 1 68 68 ASN CB C 68 39.832 39.832 40.008 -0.176 19087 3518 1 7 . 1 1 69 69 LEU N N 69 121.003 121.003 124.731 -3.728 19087 3519 1 7 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.853 -0.316 19087 3520 1 7 . 1 1 69 69 LEU C C 69 174.751 174.751 174.667 0.084 19087 3521 1 7 . 1 1 69 69 LEU CA C 69 53.925 53.925 53.521 0.404 19087 3522 1 7 . 1 1 69 69 LEU CB C 69 47.313 47.313 46.608 0.705 19087 3523 1 7 . 1 1 69 69 LEU H H 69 8.276 8.276 8.350 -0.074 19087 3524 1 7 . 1 1 70 70 SER N N 70 116.269 116.269 119.772 -3.503 19087 3525 1 7 . 1 1 70 70 SER C C 70 173.777 173.777 173.727 0.050 19087 3526 1 7 . 1 1 70 70 SER CA C 70 56.923 56.923 58.124 -1.201 19087 3527 1 7 . 1 1 70 70 SER CB C 70 63.219 63.219 63.017 0.202 19087 3528 1 7 . 1 1 70 70 SER H H 70 8.122 8.122 8.600 -0.478 19087 3529 1 7 . 1 1 71 71 LEU N N 71 127.999 127.999 127.670 0.329 19087 3530 1 7 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.602 0.154 19087 3531 1 7 . 1 1 71 71 LEU CA C 71 52.165 52.165 52.528 -0.363 19087 3532 1 7 . 1 1 71 71 LEU CB C 71 44.179 44.179 42.101 2.078 19087 3533 1 7 . 1 1 71 71 LEU H H 71 8.293 8.293 8.027 0.266 19087 3534 1 7 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.484 -0.124 19087 3535 1 7 . 1 1 72 72 PRO C C 72 176.922 176.922 176.420 0.502 19087 3536 1 7 . 1 1 72 72 PRO CA C 72 64.244 64.244 63.897 0.347 19087 3537 1 7 . 1 1 72 72 PRO CB C 72 32.466 32.466 32.017 0.449 19087 3538 1 7 . 1 1 73 73 ASP N N 73 115.106 115.106 115.712 -0.606 19087 3539 1 7 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.535 0.023 19087 3540 1 7 . 1 1 73 73 ASP C C 73 175.809 175.809 175.848 -0.039 19087 3541 1 7 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.352 0.793 19087 3542 1 7 . 1 1 73 73 ASP CB C 73 40.778 40.778 40.798 -0.020 19087 3543 1 7 . 1 1 73 73 ASP H H 73 8.431 8.431 8.212 0.219 19087 3544 1 7 . 1 1 74 74 VAL N N 74 122.218 122.218 121.070 1.148 19087 3545 1 7 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.108 -0.142 19087 3546 1 7 . 1 1 74 74 VAL C C 74 175.339 175.339 174.928 0.411 19087 3547 1 7 . 1 1 74 74 VAL CA C 74 63.871 63.871 62.375 1.496 19087 3548 1 7 . 1 1 74 74 VAL CB C 74 32.075 32.075 32.509 -0.434 19087 3549 1 7 . 1 1 74 74 VAL H H 74 7.468 7.468 7.436 0.032 19087 3550 1 7 . 1 1 75 75 ALA N N 75 128.630 128.630 128.708 -0.078 19087 3551 1 7 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.514 -0.089 19087 3552 1 7 . 1 1 75 75 ALA C C 75 176.404 176.404 176.074 0.330 19087 3553 1 7 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.207 0.220 19087 3554 1 7 . 1 1 75 75 ALA CB C 75 20.471 20.471 20.224 0.247 19087 3555 1 7 . 1 1 75 75 ALA H H 75 8.581 8.581 8.811 -0.230 19087 3556 1 7 . 1 1 76 76 ALA N N 76 120.481 120.481 122.089 -1.608 19087 3557 1 7 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.506 0.151 19087 3558 1 7 . 1 1 76 76 ALA C C 76 175.925 175.925 176.076 -0.151 19087 3559 1 7 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.967 -0.972 19087 3560 1 7 . 1 1 76 76 ALA CB C 76 22.365 22.365 20.965 1.400 19087 3561 1 7 . 1 1 76 76 ALA H H 76 7.438 7.438 7.488 -0.050 19087 3562 1 7 . 1 1 77 77 THR N N 77 121.464 121.464 118.976 2.488 19087 3563 1 7 . 1 1 77 77 THR HA H 77 4.734 4.734 4.561 0.173 19087 3564 1 7 . 1 1 77 77 THR C C 77 174.143 174.143 174.301 -0.158 19087 3565 1 7 . 1 1 77 77 THR CA C 77 63.914 63.914 62.768 1.146 19087 3566 1 7 . 1 1 77 77 THR CB C 77 70.070 70.070 68.459 1.611 19087 3567 1 7 . 1 1 77 77 THR H H 77 8.390 8.390 8.428 -0.038 19087 3568 1 7 . 1 1 78 78 THR N N 78 123.538 123.538 123.044 0.494 19087 3569 1 7 . 1 1 78 78 THR HA H 78 4.644 4.644 4.548 0.096 19087 3570 1 7 . 1 1 78 78 THR C C 78 181.684 181.684 172.154 9.530 19087 3571 1 7 . 1 1 78 78 THR CA C 78 62.511 62.511 61.362 1.149 19087 3572 1 7 . 1 1 78 78 THR CB C 78 72.846 72.846 72.738 0.108 19087 3573 1 7 . 1 1 78 78 THR H H 78 8.355 8.355 8.313 0.042 19087 3574 1 7 . 1 1 79 79 VAL N N 79 126.455 126.455 123.399 3.056 19087 3575 1 7 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.533 0.063 19087 3576 1 7 . 1 1 79 79 VAL C C 79 173.702 173.702 174.721 -1.019 19087 3577 1 7 . 1 1 79 79 VAL CA C 79 60.385 60.385 61.605 -1.220 19087 3578 1 7 . 1 1 79 79 VAL CB C 79 33.089 33.089 32.002 1.087 19087 3579 1 7 . 1 1 79 79 VAL H H 79 8.685 8.685 8.592 0.093 19087 3580 1 7 . 1 1 80 80 TYR N N 80 123.574 123.574 127.301 -3.727 19087 3581 1 7 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.556 0.844 19087 3582 1 7 . 1 1 80 80 TYR C C 80 176.410 176.410 175.803 0.607 19087 3583 1 7 . 1 1 80 80 TYR CA C 80 56.608 56.608 55.042 1.566 19087 3584 1 7 . 1 1 80 80 TYR CB C 80 42.567 42.567 40.212 2.355 19087 3585 1 7 . 1 1 80 80 TYR H H 80 9.702 9.702 8.701 1.001 19087 3586 1 7 . 1 1 81 81 TYR N N 81 117.754 117.754 116.913 0.841 19087 3587 1 7 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.443 0.031 19087 3588 1 7 . 1 1 81 81 TYR C C 81 173.237 173.237 174.024 -0.787 19087 3589 1 7 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.160 0.338 19087 3590 1 7 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.389 1.860 19087 3591 1 7 . 1 1 81 81 TYR H H 81 8.221 8.221 8.365 -0.144 19087 3592 1 7 . 1 1 82 82 THR N N 82 111.056 111.056 113.517 -2.461 19087 3593 1 7 . 1 1 82 82 THR HA H 82 4.724 4.724 4.682 0.042 19087 3594 1 7 . 1 1 82 82 THR C C 82 174.521 174.521 173.619 0.902 19087 3595 1 7 . 1 1 82 82 THR CA C 82 60.896 60.896 60.159 0.737 19087 3596 1 7 . 1 1 82 82 THR CB C 82 71.506 71.506 71.415 0.091 19087 3597 1 7 . 1 1 82 82 THR H H 82 8.245 8.245 8.287 -0.042 19087 3598 1 7 . 1 1 83 83 GLU N N 83 117.058 117.058 119.704 -2.646 19087 3599 1 7 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.410 0.067 19087 3600 1 7 . 1 1 83 83 GLU C C 83 176.152 176.152 176.354 -0.202 19087 3601 1 7 . 1 1 83 83 GLU CA C 83 57.179 57.179 55.856 1.323 19087 3602 1 7 . 1 1 83 83 GLU CB C 83 28.714 28.714 29.097 -0.383 19087 3603 1 7 . 1 1 83 83 GLU H H 83 8.772 8.772 8.671 0.101 19087 3604 1 7 . 1 1 84 84 VAL N N 84 123.039 123.039 122.059 0.980 19087 3605 1 7 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.719 0.175 19087 3606 1 7 . 1 1 84 84 VAL C C 84 177.170 177.170 175.771 1.399 19087 3607 1 7 . 1 1 84 84 VAL CA C 84 63.678 63.678 64.338 -0.660 19087 3608 1 7 . 1 1 84 84 VAL CB C 84 32.474 32.474 30.196 2.278 19087 3609 1 7 . 1 1 84 84 VAL H H 84 7.818 7.818 7.649 0.169 19087 3610 1 7 . 1 1 85 85 GLU N N 85 129.351 129.351 125.855 3.496 19087 3611 1 7 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.929 -0.038 19087 3612 1 7 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.619 0.386 19087 3613 1 7 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.512 1.011 19087 3614 1 7 . 1 1 85 85 GLU H H 85 8.796 8.796 8.605 0.191 19087 3615 1 7 . 1 1 86 86 GLY C C 86 176.321 176.321 174.135 2.186 19087 3616 1 7 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.014 0.862 19087 3617 1 7 . 1 1 87 87 GLU N N 87 121.773 121.773 122.059 -0.286 19087 3618 1 7 . 1 1 87 87 GLU HA H 87 3.948 3.948 3.907 0.041 19087 3619 1 7 . 1 1 87 87 GLU C C 87 178.276 178.276 178.170 0.106 19087 3620 1 7 . 1 1 87 87 GLU CA C 87 61.762 61.762 60.127 1.635 19087 3621 1 7 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.686 0.410 19087 3622 1 7 . 1 1 87 87 GLU H H 87 8.133 8.133 7.869 0.264 19087 3623 1 7 . 1 1 88 88 ARG N N 88 121.466 121.466 117.541 3.925 19087 3624 1 7 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.562 -0.200 19087 3625 1 7 . 1 1 88 88 ARG C C 88 177.229 177.229 177.727 -0.498 19087 3626 1 7 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.985 0.508 19087 3627 1 7 . 1 1 88 88 ARG CB C 88 29.059 29.059 28.840 0.219 19087 3628 1 7 . 1 1 88 88 ARG H H 88 9.132 9.132 8.214 0.918 19087 3629 1 7 . 1 1 89 89 ALA N N 89 119.527 119.527 121.025 -1.498 19087 3630 1 7 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.195 -0.012 19087 3631 1 7 . 1 1 89 89 ALA C C 89 181.949 181.949 179.326 2.623 19087 3632 1 7 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.517 0.765 19087 3633 1 7 . 1 1 89 89 ALA CB C 89 18.128 18.128 17.976 0.152 19087 3634 1 7 . 1 1 89 89 ALA H H 89 8.388 8.388 7.660 0.728 19087 3635 1 7 . 1 1 90 90 THR N N 90 115.279 115.279 115.167 0.112 19087 3636 1 7 . 1 1 90 90 THR HA H 90 4.146 4.146 4.025 0.121 19087 3637 1 7 . 1 1 90 90 THR C C 90 175.118 175.118 176.176 -1.058 19087 3638 1 7 . 1 1 90 90 THR CA C 90 66.607 66.607 66.251 0.356 19087 3639 1 7 . 1 1 90 90 THR CB C 90 68.971 68.971 68.647 0.324 19087 3640 1 7 . 1 1 90 90 THR H H 90 7.640 7.640 7.620 0.020 19087 3641 1 7 . 1 1 91 91 ALA N N 91 124.784 124.784 123.694 1.090 19087 3642 1 7 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.037 -0.268 19087 3643 1 7 . 1 1 91 91 ALA C C 91 178.546 178.546 178.615 -0.069 19087 3644 1 7 . 1 1 91 91 ALA CA C 91 55.552 55.552 54.824 0.728 19087 3645 1 7 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.409 0.844 19087 3646 1 7 . 1 1 91 91 ALA H H 91 9.095 9.095 7.997 1.098 19087 3647 1 7 . 1 1 92 92 ASP N N 92 118.310 118.310 119.855 -1.545 19087 3648 1 7 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.222 0.195 19087 3649 1 7 . 1 1 92 92 ASP C C 92 179.053 179.053 178.074 0.979 19087 3650 1 7 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.819 -0.177 19087 3651 1 7 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.649 -0.220 19087 3652 1 7 . 1 1 92 92 ASP H H 92 8.898 8.898 7.945 0.953 19087 3653 1 7 . 1 1 93 93 ALA N N 93 122.980 122.980 121.346 1.634 19087 3654 1 7 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.057 0.217 19087 3655 1 7 . 1 1 93 93 ALA C C 93 180.933 180.933 179.565 1.368 19087 3656 1 7 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.328 0.247 19087 3657 1 7 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.308 -0.132 19087 3658 1 7 . 1 1 93 93 ALA H H 93 7.424 7.424 7.730 -0.306 19087 3659 1 7 . 1 1 94 94 VAL N N 94 123.968 123.968 119.195 4.773 19087 3660 1 7 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.687 -0.743 19087 3661 1 7 . 1 1 94 94 VAL C C 94 178.269 178.269 178.329 -0.060 19087 3662 1 7 . 1 1 94 94 VAL CA C 94 66.399 66.399 66.356 0.043 19087 3663 1 7 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.516 -0.813 19087 3664 1 7 . 1 1 94 94 VAL H H 94 8.808 8.808 7.208 1.600 19087 3665 1 7 . 1 1 95 95 GLY N N 95 108.282 108.282 106.211 2.071 19087 3666 1 7 . 1 1 95 95 GLY C C 95 176.440 176.440 175.870 0.570 19087 3667 1 7 . 1 1 95 95 GLY CA C 95 47.919 47.919 46.962 0.957 19087 3668 1 7 . 1 1 95 95 GLY H H 95 9.355 9.355 8.126 1.229 19087 3669 1 7 . 1 1 96 96 ARG N N 96 120.852 120.852 119.865 0.987 19087 3670 1 7 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.214 -0.011 19087 3671 1 7 . 1 1 96 96 ARG C C 96 179.101 179.101 178.139 0.962 19087 3672 1 7 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.514 0.696 19087 3673 1 7 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.332 0.202 19087 3674 1 7 . 1 1 96 96 ARG H H 96 8.112 8.112 7.768 0.344 19087 3675 1 7 . 1 1 97 97 THR N N 97 117.170 117.170 115.894 1.276 19087 3676 1 7 . 1 1 97 97 THR HA H 97 3.986 3.986 4.157 -0.171 19087 3677 1 7 . 1 1 97 97 THR C C 97 175.451 175.451 175.746 -0.295 19087 3678 1 7 . 1 1 97 97 THR CA C 97 66.867 66.867 65.766 1.101 19087 3679 1 7 . 1 1 97 97 THR CB C 97 68.205 68.205 69.006 -0.801 19087 3680 1 7 . 1 1 97 97 THR H H 97 7.854 7.854 7.698 0.156 19087 3681 1 7 . 1 1 98 98 LEU N N 98 115.294 115.294 121.441 -6.147 19087 3682 1 7 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.337 -0.032 19087 3683 1 7 . 1 1 98 98 LEU C C 98 177.537 177.537 177.687 -0.150 19087 3684 1 7 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.516 -0.933 19087 3685 1 7 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.788 0.585 19087 3686 1 7 . 1 1 98 98 LEU H H 98 7.855 7.855 7.986 -0.131 19087 3687 1 7 . 1 1 99 99 GLY N N 99 111.931 111.931 104.784 7.147 19087 3688 1 7 . 1 1 99 99 GLY C C 99 173.997 173.997 174.107 -0.110 19087 3689 1 7 . 1 1 99 99 GLY CA C 99 46.993 46.993 44.836 2.157 19087 3690 1 7 . 1 1 99 99 GLY H H 99 8.101 8.101 7.857 0.244 19087 3691 1 7 . 1 1 100 100 ALA N N 100 121.739 121.739 121.797 -0.058 19087 3692 1 7 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.455 0.282 19087 3693 1 7 . 1 1 100 100 ALA C C 100 175.351 175.351 175.711 -0.360 19087 3694 1 7 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.751 -0.345 19087 3695 1 7 . 1 1 100 100 ALA CB C 100 23.959 23.959 20.968 2.991 19087 3696 1 7 . 1 1 100 100 ALA H H 100 8.033 8.033 7.481 0.552 19087 3697 1 7 . 1 1 101 101 ALA N N 101 122.895 122.895 121.715 1.180 19087 3698 1 7 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.616 -0.407 19087 3699 1 7 . 1 1 101 101 ALA C C 101 175.179 175.179 176.408 -1.229 19087 3700 1 7 . 1 1 101 101 ALA CA C 101 52.737 52.737 51.488 1.249 19087 3701 1 7 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.378 0.436 19087 3702 1 7 . 1 1 101 101 ALA H H 101 7.782 7.782 8.639 -0.857 19087 3703 1 7 . 1 1 102 102 VAL N N 102 120.035 120.035 118.530 1.505 19087 3704 1 7 . 1 1 102 102 VAL HA H 102 5.054 5.054 5.346 -0.292 19087 3705 1 7 . 1 1 102 102 VAL C C 102 176.587 176.587 175.570 1.017 19087 3706 1 7 . 1 1 102 102 VAL CA C 102 60.988 60.988 60.372 0.616 19087 3707 1 7 . 1 1 102 102 VAL CB C 102 33.725 33.725 33.585 0.140 19087 3708 1 7 . 1 1 102 102 VAL H H 102 7.872 7.872 8.409 -0.537 19087 3709 1 7 . 1 1 103 103 GLU N N 103 126.469 126.469 124.582 1.887 19087 3710 1 7 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.393 0.486 19087 3711 1 7 . 1 1 103 103 GLU C C 103 174.343 174.343 173.792 0.551 19087 3712 1 7 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.634 -0.283 19087 3713 1 7 . 1 1 103 103 GLU CB C 103 35.595 35.595 34.477 1.117 19087 3714 1 7 . 1 1 103 103 GLU H H 103 9.215 9.215 8.520 0.695 19087 3715 1 7 . 1 1 104 104 LEU N N 104 123.109 123.109 120.126 2.983 19087 3716 1 7 . 1 1 104 104 LEU HA H 104 3.591 3.591 4.061 -0.470 19087 3717 1 7 . 1 1 104 104 LEU C C 104 178.379 178.379 177.766 0.613 19087 3718 1 7 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.627 -0.707 19087 3719 1 7 . 1 1 104 104 LEU CB C 104 42.910 42.910 43.017 -0.107 19087 3720 1 7 . 1 1 104 104 LEU H H 104 8.273 8.273 8.271 0.002 19087 3721 1 7 . 1 1 105 105 ARG N N 105 119.790 119.790 120.626 -0.836 19087 3722 1 7 . 1 1 105 105 ARG HA H 105 4.261 4.261 3.971 0.290 19087 3723 1 7 . 1 1 105 105 ARG C C 105 177.043 177.043 175.956 1.087 19087 3724 1 7 . 1 1 105 105 ARG CA C 105 59.310 59.310 57.601 1.709 19087 3725 1 7 . 1 1 105 105 ARG CB C 105 32.077 32.077 29.915 2.163 19087 3726 1 7 . 1 1 105 105 ARG H H 105 8.300 8.300 8.033 0.267 19087 3727 1 7 . 1 1 106 106 LEU N N 106 122.431 122.431 114.357 8.074 19087 3728 1 7 . 1 1 106 106 LEU HA H 106 4.398 4.398 3.973 0.425 19087 3729 1 7 . 1 1 106 106 LEU CA C 106 54.701 54.701 54.147 0.554 19087 3730 1 7 . 1 1 106 106 LEU CB C 106 42.469 42.469 40.919 1.550 19087 3731 1 7 . 1 1 106 106 LEU H H 106 8.026 8.026 7.643 0.383 19087 3732 1 7 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.139 0.100 19087 3733 1 7 . 1 1 107 107 PRO C C 107 179.627 179.627 178.251 1.376 19087 3734 1 7 . 1 1 107 107 PRO CA C 107 65.898 65.898 65.329 0.570 19087 3735 1 7 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.330 0.189 19087 3736 1 7 . 1 1 108 108 GLU N N 108 116.744 116.744 117.686 -0.942 19087 3737 1 7 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.128 -0.030 19087 3738 1 7 . 1 1 108 108 GLU C C 108 176.957 176.957 178.226 -1.269 19087 3739 1 7 . 1 1 108 108 GLU CA C 108 59.584 59.584 58.618 0.966 19087 3740 1 7 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.217 0.940 19087 3741 1 7 . 1 1 108 108 GLU H H 108 9.605 9.605 8.730 0.875 19087 3742 1 7 . 1 1 109 109 LEU N N 109 116.575 116.575 120.290 -3.715 19087 3743 1 7 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.255 0.275 19087 3744 1 7 . 1 1 109 109 LEU C C 109 177.894 177.894 176.769 1.125 19087 3745 1 7 . 1 1 109 109 LEU CA C 109 53.489 53.489 55.386 -1.897 19087 3746 1 7 . 1 1 109 109 LEU CB C 109 42.241 42.241 41.591 0.650 19087 3747 1 7 . 1 1 109 109 LEU H H 109 7.630 7.630 7.583 0.047 19087 3748 1 7 . 1 1 110 110 SER N N 110 117.031 117.031 113.791 3.240 19087 3749 1 7 . 1 1 110 110 SER HA H 110 3.943 3.943 4.386 -0.443 19087 3750 1 7 . 1 1 110 110 SER C C 110 174.273 174.273 174.989 -0.716 19087 3751 1 7 . 1 1 110 110 SER CA C 110 59.543 59.543 59.869 -0.326 19087 3752 1 7 . 1 1 110 110 SER CB C 110 63.609 63.609 63.510 0.099 19087 3753 1 7 . 1 1 110 110 SER H H 110 7.757 7.757 7.564 0.193 19087 3754 1 7 . 1 1 111 111 ASP N N 111 117.804 117.804 120.187 -2.383 19087 3755 1 7 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.641 -0.059 19087 3756 1 7 . 1 1 111 111 ASP C C 111 176.760 176.760 174.909 1.851 19087 3757 1 7 . 1 1 111 111 ASP CA C 111 53.976 53.976 55.526 -1.550 19087 3758 1 7 . 1 1 111 111 ASP CB C 111 40.183 40.183 41.817 -1.634 19087 3759 1 7 . 1 1 111 111 ASP H H 111 8.315 8.315 7.856 0.459 19087 3760 1 7 . 1 1 112 112 GLN N N 112 119.300 119.300 116.408 2.892 19087 3761 1 7 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.667 -0.367 19087 3762 1 7 . 1 1 112 112 GLN CA C 112 55.014 55.014 52.262 2.752 19087 3763 1 7 . 1 1 112 112 GLN CB C 112 26.568 26.568 29.124 -2.556 19087 3764 1 7 . 1 1 112 112 GLN H H 112 7.212 7.212 7.547 -0.335 19087 3765 1 7 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.303 0.224 19087 3766 1 7 . 1 1 114 114 PRO C C 114 175.464 175.464 176.435 -0.971 19087 3767 1 7 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.488 0.581 19087 3768 1 7 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.512 -0.065 19087 3769 1 7 . 1 1 115 115 GLY N N 115 113.817 113.817 106.601 7.216 19087 3770 1 7 . 1 1 115 115 GLY C C 115 173.552 173.552 173.188 0.364 19087 3771 1 7 . 1 1 115 115 GLY CA C 115 43.953 43.953 45.146 -1.193 19087 3772 1 7 . 1 1 115 115 GLY H H 115 8.443 8.443 7.756 0.687 19087 3773 1 7 . 1 1 116 116 VAL N N 116 122.049 122.049 123.633 -1.584 19087 3774 1 7 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.794 -0.663 19087 3775 1 7 . 1 1 116 116 VAL C C 116 174.533 174.533 175.473 -0.940 19087 3776 1 7 . 1 1 116 116 VAL CA C 116 63.916 63.916 62.893 1.023 19087 3777 1 7 . 1 1 116 116 VAL CB C 116 32.342 32.342 32.122 0.220 19087 3778 1 7 . 1 1 116 116 VAL H H 116 8.957 8.957 8.130 0.827 19087 3779 1 7 . 1 1 117 117 ILE N N 117 126.102 126.102 124.603 1.499 19087 3780 1 7 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.442 -0.503 19087 3781 1 7 . 1 1 117 117 ILE C C 117 174.181 174.181 174.373 -0.192 19087 3782 1 7 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.704 1.365 19087 3783 1 7 . 1 1 117 117 ILE CB C 117 42.368 42.368 40.602 1.766 19087 3784 1 7 . 1 1 117 117 ILE H H 117 7.863 7.863 8.683 -0.820 19087 3785 1 7 . 1 1 118 118 VAL N N 118 127.665 127.665 128.029 -0.364 19087 3786 1 7 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.293 0.631 19087 3787 1 7 . 1 1 118 118 VAL C C 118 175.224 175.224 173.946 1.278 19087 3788 1 7 . 1 1 118 118 VAL CA C 118 60.580 60.580 60.936 -0.356 19087 3789 1 7 . 1 1 118 118 VAL CB C 118 33.945 33.945 32.716 1.229 19087 3790 1 7 . 1 1 118 118 VAL H H 118 9.348 9.348 8.494 0.854 19087 3791 1 7 . 1 1 119 119 VAL N N 119 121.828 121.828 130.635 -8.807 19087 3792 1 7 . 1 1 119 119 VAL HA H 119 5.563 5.563 5.145 0.418 19087 3793 1 7 . 1 1 119 119 VAL C C 119 174.425 174.425 173.713 0.712 19087 3794 1 7 . 1 1 119 119 VAL CA C 119 58.691 58.691 59.498 -0.806 19087 3795 1 7 . 1 1 119 119 VAL CB C 119 32.886 32.886 33.672 -0.785 19087 3796 1 7 . 1 1 119 119 VAL H H 119 9.096 9.096 8.356 0.740 19087 3797 1 7 . 1 1 120 120 VAL N N 120 120.260 120.260 128.630 -8.370 19087 3798 1 7 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.491 0.327 19087 3799 1 7 . 1 1 120 120 VAL C C 120 175.649 175.649 175.270 0.379 19087 3800 1 7 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.207 0.424 19087 3801 1 7 . 1 1 120 120 VAL CB C 120 34.550 34.550 33.245 1.305 19087 3802 1 7 . 1 1 120 120 VAL H H 120 8.809 8.809 8.484 0.325 19087 3803 1 7 . 1 1 121 121 THR N N 121 114.564 114.564 116.130 -1.566 19087 3804 1 7 . 1 1 121 121 THR HA H 121 4.428 4.428 4.682 -0.254 19087 3805 1 7 . 1 1 121 121 THR C C 121 173.833 173.833 174.080 -0.247 19087 3806 1 7 . 1 1 121 121 THR CA C 121 60.834 60.834 59.317 1.517 19087 3807 1 7 . 1 1 121 121 THR CB C 121 69.413 69.413 71.047 -1.634 19087 3808 1 7 . 1 1 121 121 THR H H 121 7.859 7.859 8.388 -0.529 19087 3809 1 8 . 1 1 6 6 SER C C 6 174.665 174.665 174.769 -0.104 19087 3810 1 8 . 1 1 6 6 SER CA C 6 58.745 58.745 57.742 1.003 19087 3811 1 8 . 1 1 6 6 SER CB C 6 63.870 63.870 63.411 0.459 19087 3812 1 8 . 1 1 7 7 GLU N N 7 122.278 122.278 125.855 -3.577 19087 3813 1 8 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.280 0.448 19087 3814 1 8 . 1 1 7 7 GLU C C 7 176.279 176.279 177.005 -0.726 19087 3815 1 8 . 1 1 7 7 GLU CA C 7 56.894 56.894 56.999 -0.105 19087 3816 1 8 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.936 0.273 19087 3817 1 8 . 1 1 7 7 GLU H H 7 8.475 8.475 8.757 -0.282 19087 3818 1 8 . 1 1 8 8 ASP N N 8 120.753 120.753 119.234 1.519 19087 3819 1 8 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.386 0.323 19087 3820 1 8 . 1 1 8 8 ASP C C 8 176.070 176.070 177.130 -1.060 19087 3821 1 8 . 1 1 8 8 ASP CA C 8 54.366 54.366 56.255 -1.889 19087 3822 1 8 . 1 1 8 8 ASP CB C 8 41.459 41.459 40.990 0.469 19087 3823 1 8 . 1 1 8 8 ASP H H 8 8.206 8.206 8.374 -0.168 19087 3824 1 8 . 1 1 9 9 ASP N N 9 121.430 121.430 117.981 3.449 19087 3825 1 8 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.226 0.477 19087 3826 1 8 . 1 1 9 9 ASP CA C 9 54.444 54.444 56.193 -1.749 19087 3827 1 8 . 1 1 9 9 ASP CB C 9 41.220 41.220 40.827 0.393 19087 3828 1 8 . 1 1 9 9 ASP H H 9 8.256 8.256 8.658 -0.402 19087 3829 1 8 . 1 1 11 11 SER C C 11 174.517 174.517 172.711 1.806 19087 3830 1 8 . 1 1 11 11 SER CA C 11 59.364 59.364 58.539 0.825 19087 3831 1 8 . 1 1 11 11 SER CB C 11 63.989 63.989 63.969 0.020 19087 3832 1 8 . 1 1 12 12 ALA N N 12 125.500 125.500 129.353 -3.853 19087 3833 1 8 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.738 -0.382 19087 3834 1 8 . 1 1 12 12 ALA C C 12 177.811 177.811 176.020 1.791 19087 3835 1 8 . 1 1 12 12 ALA CA C 12 52.815 52.815 52.245 0.570 19087 3836 1 8 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.346 -1.143 19087 3837 1 8 . 1 1 12 12 ALA H H 12 8.087 8.087 8.378 -0.291 19087 3838 1 8 . 1 1 13 13 ILE N N 13 119.045 119.045 120.956 -1.911 19087 3839 1 8 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.285 -0.092 19087 3840 1 8 . 1 1 13 13 ILE CA C 13 61.163 61.163 60.810 0.353 19087 3841 1 8 . 1 1 13 13 ILE CB C 13 38.721 38.721 39.696 -0.975 19087 3842 1 8 . 1 1 13 13 ILE H H 13 7.938 7.938 8.320 -0.382 19087 3843 1 8 . 1 1 14 14 SER N N 14 119.662 119.662 124.134 -4.472 19087 3844 1 8 . 1 1 14 14 SER H H 14 8.339 8.339 8.440 -0.101 19087 3845 1 8 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.789 -0.503 19087 3846 1 8 . 1 1 21 21 ALA C C 21 177.013 177.013 175.958 1.055 19087 3847 1 8 . 1 1 21 21 ALA CA C 21 51.585 51.585 52.156 -0.571 19087 3848 1 8 . 1 1 21 21 ALA CB C 21 19.339 19.339 20.439 -1.099 19087 3849 1 8 . 1 1 22 22 ALA N N 22 124.579 124.579 125.978 -1.399 19087 3850 1 8 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.585 0.140 19087 3851 1 8 . 1 1 22 22 ALA CA C 22 50.310 50.310 50.788 -0.478 19087 3852 1 8 . 1 1 22 22 ALA CB C 22 18.232 18.232 18.063 0.169 19087 3853 1 8 . 1 1 22 22 ALA H H 22 8.182 8.182 8.172 0.010 19087 3854 1 8 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.305 -0.170 19087 3855 1 8 . 1 1 28 28 VAL C C 28 175.779 175.779 175.012 0.767 19087 3856 1 8 . 1 1 28 28 VAL CA C 28 62.167 62.167 61.842 0.326 19087 3857 1 8 . 1 1 28 28 VAL CB C 28 32.681 32.681 33.720 -1.039 19087 3858 1 8 . 1 1 29 29 LYS N N 29 126.858 126.858 127.249 -0.391 19087 3859 1 8 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.692 0.020 19087 3860 1 8 . 1 1 29 29 LYS CA C 29 54.135 54.135 54.819 -0.684 19087 3861 1 8 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.060 0.586 19087 3862 1 8 . 1 1 29 29 LYS H H 29 8.346 8.346 8.537 -0.191 19087 3863 1 8 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.732 -0.330 19087 3864 1 8 . 1 1 30 30 PRO C C 30 176.435 176.435 175.416 1.019 19087 3865 1 8 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.390 0.386 19087 3866 1 8 . 1 1 30 30 PRO CB C 30 32.154 32.154 33.244 -1.090 19087 3867 1 8 . 1 1 31 31 ALA N N 31 124.680 124.680 121.535 3.145 19087 3868 1 8 . 1 1 31 31 ALA HA H 31 4.347 4.347 5.032 -0.685 19087 3869 1 8 . 1 1 31 31 ALA C C 31 176.860 176.860 175.469 1.391 19087 3870 1 8 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.764 0.552 19087 3871 1 8 . 1 1 31 31 ALA CB C 31 19.398 19.398 20.918 -1.520 19087 3872 1 8 . 1 1 31 31 ALA H H 31 8.324 8.324 8.696 -0.372 19087 3873 1 8 . 1 1 32 32 ALA N N 32 125.011 125.011 123.510 1.501 19087 3874 1 8 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.517 0.219 19087 3875 1 8 . 1 1 32 32 ALA CA C 32 50.487 50.487 51.505 -1.018 19087 3876 1 8 . 1 1 32 32 ALA CB C 32 18.203 18.203 19.491 -1.288 19087 3877 1 8 . 1 1 32 32 ALA H H 32 8.246 8.246 8.265 -0.019 19087 3878 1 8 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.478 -0.012 19087 3879 1 8 . 1 1 33 33 PRO C C 33 176.834 176.834 176.223 0.611 19087 3880 1 8 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.618 0.207 19087 3881 1 8 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.259 -0.264 19087 3882 1 8 . 1 1 34 34 ARG N N 34 121.170 121.170 124.174 -3.004 19087 3883 1 8 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.541 -0.155 19087 3884 1 8 . 1 1 34 34 ARG C C 34 175.853 175.853 175.372 0.481 19087 3885 1 8 . 1 1 34 34 ARG CA C 34 55.912 55.912 55.200 0.712 19087 3886 1 8 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.145 0.527 19087 3887 1 8 . 1 1 34 34 ARG H H 34 8.349 8.349 8.396 -0.047 19087 3888 1 8 . 1 1 35 35 ALA N N 35 124.878 124.878 126.652 -1.774 19087 3889 1 8 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.504 0.108 19087 3890 1 8 . 1 1 35 35 ALA C C 35 176.170 176.170 177.207 -1.037 19087 3891 1 8 . 1 1 35 35 ALA CA C 35 51.566 51.566 51.042 0.524 19087 3892 1 8 . 1 1 35 35 ALA CB C 35 20.722 20.722 20.328 0.394 19087 3893 1 8 . 1 1 35 35 ALA H H 35 8.008 8.008 8.364 -0.356 19087 3894 1 8 . 1 1 36 36 GLU N N 36 119.776 119.776 119.595 0.181 19087 3895 1 8 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.328 0.103 19087 3896 1 8 . 1 1 36 36 GLU C C 36 174.618 174.618 175.354 -0.736 19087 3897 1 8 . 1 1 36 36 GLU CA C 36 56.472 56.472 56.483 -0.010 19087 3898 1 8 . 1 1 36 36 GLU CB C 36 31.124 31.124 28.614 2.510 19087 3899 1 8 . 1 1 36 36 GLU H H 36 8.495 8.495 8.673 -0.178 19087 3900 1 8 . 1 1 37 37 VAL N N 37 119.808 119.808 124.872 -5.064 19087 3901 1 8 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.513 0.389 19087 3902 1 8 . 1 1 37 37 VAL C C 37 174.285 174.285 175.139 -0.854 19087 3903 1 8 . 1 1 37 37 VAL CA C 37 60.639 60.639 61.586 -0.947 19087 3904 1 8 . 1 1 37 37 VAL CB C 37 34.612 34.612 32.884 1.728 19087 3905 1 8 . 1 1 37 37 VAL H H 37 8.494 8.494 8.310 0.184 19087 3906 1 8 . 1 1 38 38 ARG N N 38 124.534 124.534 125.295 -0.761 19087 3907 1 8 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.043 -0.117 19087 3908 1 8 . 1 1 38 38 ARG C C 38 174.239 174.239 174.413 -0.174 19087 3909 1 8 . 1 1 38 38 ARG CA C 38 55.092 55.092 54.336 0.756 19087 3910 1 8 . 1 1 38 38 ARG CB C 38 34.190 34.190 32.805 1.385 19087 3911 1 8 . 1 1 38 38 ARG H H 38 8.652 8.652 8.869 -0.217 19087 3912 1 8 . 1 1 39 39 VAL N N 39 121.231 121.231 125.582 -4.351 19087 3913 1 8 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.540 0.258 19087 3914 1 8 . 1 1 39 39 VAL C C 39 173.357 173.357 174.159 -0.802 19087 3915 1 8 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.286 -0.648 19087 3916 1 8 . 1 1 39 39 VAL CB C 39 34.294 34.294 32.879 1.415 19087 3917 1 8 . 1 1 39 39 VAL H H 39 7.934 7.934 8.362 -0.428 19087 3918 1 8 . 1 1 40 40 TYR N N 40 122.262 122.262 127.498 -5.236 19087 3919 1 8 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.373 -0.219 19087 3920 1 8 . 1 1 40 40 TYR C C 40 175.124 175.124 175.343 -0.219 19087 3921 1 8 . 1 1 40 40 TYR CA C 40 55.540 55.540 55.756 -0.216 19087 3922 1 8 . 1 1 40 40 TYR CB C 40 42.223 42.223 39.941 2.282 19087 3923 1 8 . 1 1 40 40 TYR H H 40 9.343 9.343 8.800 0.543 19087 3924 1 8 . 1 1 41 41 ASN N N 41 121.684 121.684 124.001 -2.317 19087 3925 1 8 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.212 -0.180 19087 3926 1 8 . 1 1 41 41 ASN C C 41 176.301 176.301 175.331 0.970 19087 3927 1 8 . 1 1 41 41 ASN CA C 41 52.635 52.635 53.915 -1.280 19087 3928 1 8 . 1 1 41 41 ASN CB C 41 39.836 39.836 39.706 0.130 19087 3929 1 8 . 1 1 41 41 ASN H H 41 9.287 9.287 8.892 0.395 19087 3930 1 8 . 1 1 42 42 ILE N N 42 119.462 119.462 125.728 -6.266 19087 3931 1 8 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.258 1.192 19087 3932 1 8 . 1 1 42 42 ILE C C 42 176.450 176.450 176.146 0.304 19087 3933 1 8 . 1 1 42 42 ILE CA C 42 60.513 60.513 62.922 -2.409 19087 3934 1 8 . 1 1 42 42 ILE CB C 42 38.597 38.597 38.945 -0.348 19087 3935 1 8 . 1 1 42 42 ILE H H 42 8.541 8.541 8.610 -0.069 19087 3936 1 8 . 1 1 43 43 SER N N 43 118.212 118.212 112.632 5.580 19087 3937 1 8 . 1 1 43 43 SER HA H 43 4.729 4.729 4.663 0.066 19087 3938 1 8 . 1 1 43 43 SER CA C 43 58.598 58.598 58.275 0.323 19087 3939 1 8 . 1 1 43 43 SER CB C 43 66.262 66.262 65.621 0.641 19087 3940 1 8 . 1 1 43 43 SER H H 43 8.142 8.142 7.675 0.467 19087 3941 1 8 . 1 1 44 44 GLY C C 44 174.414 174.414 174.738 -0.324 19087 3942 1 8 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.524 -0.145 19087 3943 1 8 . 1 1 45 45 THR N N 45 116.371 116.371 113.972 2.399 19087 3944 1 8 . 1 1 45 45 THR HA H 45 4.384 4.384 3.990 0.394 19087 3945 1 8 . 1 1 45 45 THR CA C 45 61.814 61.814 63.666 -1.852 19087 3946 1 8 . 1 1 45 45 THR CB C 45 69.787 69.787 68.040 1.747 19087 3947 1 8 . 1 1 45 45 THR H H 45 8.298 8.298 8.442 -0.144 19087 3948 1 8 . 1 1 47 47 GLY C C 47 175.691 175.691 175.147 0.544 19087 3949 1 8 . 1 1 47 47 GLY CA C 47 46.191 46.191 47.032 -0.841 19087 3950 1 8 . 1 1 48 48 ALA N N 48 121.957 121.957 123.177 -1.220 19087 3951 1 8 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.144 -0.115 19087 3952 1 8 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.021 1.381 19087 3953 1 8 . 1 1 48 48 ALA CB C 48 18.492 18.492 17.994 0.498 19087 3954 1 8 . 1 1 48 48 ALA H H 48 7.511 7.511 7.891 -0.380 19087 3955 1 8 . 1 1 49 49 ALA HA H 49 3.984 3.984 4.098 -0.114 19087 3956 1 8 . 1 1 49 49 ALA C C 49 178.073 178.073 179.405 -1.332 19087 3957 1 8 . 1 1 49 49 ALA CA C 49 54.861 54.861 53.799 1.062 19087 3958 1 8 . 1 1 49 49 ALA CB C 49 18.689 18.689 19.538 -0.849 19087 3959 1 8 . 1 1 50 50 ALA N N 50 122.654 122.654 121.382 1.272 19087 3960 1 8 . 1 1 50 50 ALA HA H 50 3.989 3.989 3.916 0.073 19087 3961 1 8 . 1 1 50 50 ALA C C 50 179.642 179.642 178.701 0.941 19087 3962 1 8 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.236 1.615 19087 3963 1 8 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.265 -0.477 19087 3964 1 8 . 1 1 50 50 ALA H H 50 7.965 7.965 7.662 0.303 19087 3965 1 8 . 1 1 51 51 ARG N N 51 116.659 116.659 118.920 -2.261 19087 3966 1 8 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.056 0.135 19087 3967 1 8 . 1 1 51 51 ARG C C 51 179.931 179.931 178.004 1.927 19087 3968 1 8 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.149 1.363 19087 3969 1 8 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.522 0.941 19087 3970 1 8 . 1 1 51 51 ARG H H 51 7.982 7.982 7.965 0.017 19087 3971 1 8 . 1 1 52 52 THR N N 52 117.745 117.745 112.836 4.909 19087 3972 1 8 . 1 1 52 52 THR HA H 52 4.162 4.162 4.046 0.116 19087 3973 1 8 . 1 1 52 52 THR C C 52 175.626 175.626 175.368 0.258 19087 3974 1 8 . 1 1 52 52 THR CA C 52 68.565 68.565 65.155 3.410 19087 3975 1 8 . 1 1 52 52 THR CB C 52 70.787 70.787 68.522 2.265 19087 3976 1 8 . 1 1 52 52 THR H H 52 7.661 7.661 7.598 0.063 19087 3977 1 8 . 1 1 53 53 ALA N N 53 123.939 123.939 122.430 1.509 19087 3978 1 8 . 1 1 53 53 ALA HA H 53 3.886 3.886 4.044 -0.158 19087 3979 1 8 . 1 1 53 53 ALA C C 53 179.013 179.013 178.541 0.472 19087 3980 1 8 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.063 2.134 19087 3981 1 8 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.783 -0.066 19087 3982 1 8 . 1 1 53 53 ALA H H 53 8.805 8.805 7.349 1.456 19087 3983 1 8 . 1 1 54 54 ASP N N 54 118.351 118.351 120.234 -1.883 19087 3984 1 8 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.294 0.138 19087 3985 1 8 . 1 1 54 54 ASP C C 54 179.376 179.376 178.213 1.163 19087 3986 1 8 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.608 0.399 19087 3987 1 8 . 1 1 54 54 ASP CB C 54 40.242 40.242 41.005 -0.763 19087 3988 1 8 . 1 1 54 54 ASP H H 54 8.327 8.327 7.838 0.489 19087 3989 1 8 . 1 1 55 55 ARG N N 55 121.120 121.120 118.732 2.388 19087 3990 1 8 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.229 -0.054 19087 3991 1 8 . 1 1 55 55 ARG C C 55 179.550 179.550 178.649 0.901 19087 3992 1 8 . 1 1 55 55 ARG CA C 55 59.285 59.285 57.930 1.355 19087 3993 1 8 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.121 0.199 19087 3994 1 8 . 1 1 55 55 ARG H H 55 7.723 7.723 7.717 0.006 19087 3995 1 8 . 1 1 56 56 LEU N N 56 118.659 118.659 120.874 -2.215 19087 3996 1 8 . 1 1 56 56 LEU HA H 56 4.332 4.332 3.887 0.445 19087 3997 1 8 . 1 1 56 56 LEU C C 56 179.305 179.305 178.030 1.275 19087 3998 1 8 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.964 -0.527 19087 3999 1 8 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.495 -0.208 19087 4000 1 8 . 1 1 56 56 LEU H H 56 8.215 8.215 7.671 0.544 19087 4001 1 8 . 1 1 57 57 LYS N N 57 122.713 122.713 119.393 3.320 19087 4002 1 8 . 1 1 57 57 LYS HA H 57 4.513 4.513 4.085 0.428 19087 4003 1 8 . 1 1 57 57 LYS C C 57 181.436 181.436 179.231 2.205 19087 4004 1 8 . 1 1 57 57 LYS CA C 57 60.004 60.004 58.692 1.312 19087 4005 1 8 . 1 1 57 57 LYS CB C 57 32.437 32.437 31.955 0.482 19087 4006 1 8 . 1 1 57 57 LYS H H 57 8.914 8.914 7.862 1.052 19087 4007 1 8 . 1 1 58 58 ALA N N 58 122.423 122.423 120.534 1.889 19087 4008 1 8 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.346 -0.136 19087 4009 1 8 . 1 1 58 58 ALA C C 58 178.516 178.516 178.718 -0.202 19087 4010 1 8 . 1 1 58 58 ALA CA C 58 55.069 55.069 54.062 1.007 19087 4011 1 8 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.191 -0.282 19087 4012 1 8 . 1 1 58 58 ALA H H 58 8.026 8.026 7.603 0.423 19087 4013 1 8 . 1 1 59 59 ALA N N 59 118.347 118.347 119.354 -1.007 19087 4014 1 8 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.447 0.039 19087 4015 1 8 . 1 1 59 59 ALA C C 59 176.797 176.797 177.329 -0.532 19087 4016 1 8 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.234 -0.476 19087 4017 1 8 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.625 -0.256 19087 4018 1 8 . 1 1 59 59 ALA H H 59 7.413 7.413 7.729 -0.316 19087 4019 1 8 . 1 1 60 60 GLY N N 60 104.918 104.918 104.767 0.151 19087 4020 1 8 . 1 1 60 60 GLY C C 60 174.741 174.741 174.477 0.264 19087 4021 1 8 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.668 0.568 19087 4022 1 8 . 1 1 60 60 GLY H H 60 7.694 7.694 7.609 0.085 19087 4023 1 8 . 1 1 61 61 PHE N N 61 118.862 118.862 119.714 -0.852 19087 4024 1 8 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.664 -0.169 19087 4025 1 8 . 1 1 61 61 PHE C C 61 175.204 175.204 176.377 -1.173 19087 4026 1 8 . 1 1 61 61 PHE CA C 61 58.483 58.483 57.907 0.576 19087 4027 1 8 . 1 1 61 61 PHE CB C 61 39.163 39.163 39.463 -0.300 19087 4028 1 8 . 1 1 61 61 PHE H H 61 7.879 7.879 7.746 0.133 19087 4029 1 8 . 1 1 62 62 THR N N 62 121.319 121.319 116.686 4.633 19087 4030 1 8 . 1 1 62 62 THR HA H 62 4.303 4.303 4.309 -0.006 19087 4031 1 8 . 1 1 62 62 THR C C 62 173.073 173.073 174.631 -1.558 19087 4032 1 8 . 1 1 62 62 THR CA C 62 69.389 69.389 64.506 4.883 19087 4033 1 8 . 1 1 62 62 THR CB C 62 62.478 62.478 69.541 -7.063 19087 4034 1 8 . 1 1 62 62 THR H H 62 9.493 9.493 8.851 0.642 19087 4035 1 8 . 1 1 63 63 VAL N N 63 128.406 128.406 122.399 6.007 19087 4036 1 8 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.358 0.302 19087 4037 1 8 . 1 1 63 63 VAL C C 63 177.267 177.267 174.180 3.087 19087 4038 1 8 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.806 -1.707 19087 4039 1 8 . 1 1 63 63 VAL CB C 63 32.572 32.572 33.379 -0.807 19087 4040 1 8 . 1 1 63 63 VAL H H 63 8.293 8.293 7.875 0.418 19087 4041 1 8 . 1 1 64 64 THR N N 64 118.495 118.495 117.940 0.555 19087 4042 1 8 . 1 1 64 64 THR HA H 64 4.350 4.350 4.766 -0.416 19087 4043 1 8 . 1 1 64 64 THR CA C 64 62.182 62.182 60.782 1.400 19087 4044 1 8 . 1 1 64 64 THR CB C 64 69.143 69.143 69.344 -0.201 19087 4045 1 8 . 1 1 64 64 THR H H 64 8.770 8.770 8.565 0.205 19087 4046 1 8 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.906 -0.605 19087 4047 1 8 . 1 1 65 65 ASP C C 65 173.778 173.778 174.655 -0.877 19087 4048 1 8 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.366 0.921 19087 4049 1 8 . 1 1 65 65 ASP CB C 65 44.018 44.018 43.170 0.848 19087 4050 1 8 . 1 1 66 66 VAL N N 66 121.705 121.705 120.919 0.786 19087 4051 1 8 . 1 1 66 66 VAL HA H 66 4.863 4.863 5.211 -0.348 19087 4052 1 8 . 1 1 66 66 VAL C C 66 176.234 176.234 175.637 0.597 19087 4053 1 8 . 1 1 66 66 VAL CA C 66 60.597 60.597 58.802 1.795 19087 4054 1 8 . 1 1 66 66 VAL CB C 66 34.120 34.120 34.420 -0.300 19087 4055 1 8 . 1 1 66 66 VAL H H 66 7.849 7.849 8.240 -0.391 19087 4056 1 8 . 1 1 67 67 GLY N N 67 112.050 112.050 110.305 1.745 19087 4057 1 8 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.318 0.300 19087 4058 1 8 . 1 1 67 67 GLY H H 67 8.151 8.151 8.441 -0.290 19087 4059 1 8 . 1 1 68 68 ASN C C 68 173.771 173.771 174.251 -0.480 19087 4060 1 8 . 1 1 68 68 ASN CA C 68 53.062 53.062 52.031 1.031 19087 4061 1 8 . 1 1 68 68 ASN CB C 68 39.832 39.832 39.433 0.399 19087 4062 1 8 . 1 1 69 69 LEU N N 69 121.003 121.003 124.653 -3.650 19087 4063 1 8 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.655 -0.118 19087 4064 1 8 . 1 1 69 69 LEU C C 69 174.751 174.751 175.975 -1.224 19087 4065 1 8 . 1 1 69 69 LEU CA C 69 53.925 53.925 53.991 -0.066 19087 4066 1 8 . 1 1 69 69 LEU CB C 69 47.313 47.313 46.150 1.163 19087 4067 1 8 . 1 1 69 69 LEU H H 69 8.276 8.276 8.297 -0.021 19087 4068 1 8 . 1 1 70 70 SER N N 70 116.269 116.269 117.248 -0.979 19087 4069 1 8 . 1 1 70 70 SER C C 70 173.777 173.777 174.608 -0.831 19087 4070 1 8 . 1 1 70 70 SER CA C 70 56.923 56.923 58.216 -1.293 19087 4071 1 8 . 1 1 70 70 SER CB C 70 63.219 63.219 62.891 0.328 19087 4072 1 8 . 1 1 70 70 SER H H 70 8.122 8.122 8.347 -0.225 19087 4073 1 8 . 1 1 71 71 LEU N N 71 127.999 127.999 127.354 0.645 19087 4074 1 8 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.712 0.044 19087 4075 1 8 . 1 1 71 71 LEU CA C 71 52.165 52.165 51.941 0.224 19087 4076 1 8 . 1 1 71 71 LEU CB C 71 44.179 44.179 41.835 2.344 19087 4077 1 8 . 1 1 71 71 LEU H H 71 8.293 8.293 8.097 0.196 19087 4078 1 8 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.492 -0.132 19087 4079 1 8 . 1 1 72 72 PRO C C 72 176.922 176.922 176.704 0.218 19087 4080 1 8 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.127 0.117 19087 4081 1 8 . 1 1 72 72 PRO CB C 72 32.466 32.466 32.038 0.428 19087 4082 1 8 . 1 1 73 73 ASP N N 73 115.106 115.106 117.781 -2.675 19087 4083 1 8 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.456 0.102 19087 4084 1 8 . 1 1 73 73 ASP C C 73 175.809 175.809 175.974 -0.165 19087 4085 1 8 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.241 0.904 19087 4086 1 8 . 1 1 73 73 ASP CB C 73 40.778 40.778 40.245 0.533 19087 4087 1 8 . 1 1 73 73 ASP H H 73 8.431 8.431 8.659 -0.228 19087 4088 1 8 . 1 1 74 74 VAL N N 74 122.218 122.218 118.915 3.303 19087 4089 1 8 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.243 -0.277 19087 4090 1 8 . 1 1 74 74 VAL C C 74 175.339 175.339 174.604 0.735 19087 4091 1 8 . 1 1 74 74 VAL CA C 74 63.871 63.871 61.770 2.101 19087 4092 1 8 . 1 1 74 74 VAL CB C 74 32.075 32.075 32.699 -0.624 19087 4093 1 8 . 1 1 74 74 VAL H H 74 7.468 7.468 7.387 0.081 19087 4094 1 8 . 1 1 75 75 ALA N N 75 128.630 128.630 129.238 -0.608 19087 4095 1 8 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.580 -0.155 19087 4096 1 8 . 1 1 75 75 ALA C C 75 176.404 176.404 176.103 0.301 19087 4097 1 8 . 1 1 75 75 ALA CA C 75 52.427 52.427 51.815 0.612 19087 4098 1 8 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.839 0.632 19087 4099 1 8 . 1 1 75 75 ALA H H 75 8.581 8.581 8.585 -0.004 19087 4100 1 8 . 1 1 76 76 ALA N N 76 120.481 120.481 121.039 -0.558 19087 4101 1 8 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.594 0.063 19087 4102 1 8 . 1 1 76 76 ALA C C 76 175.925 175.925 176.086 -0.161 19087 4103 1 8 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.782 -0.787 19087 4104 1 8 . 1 1 76 76 ALA CB C 76 22.365 22.365 20.461 1.904 19087 4105 1 8 . 1 1 76 76 ALA H H 76 7.438 7.438 7.579 -0.141 19087 4106 1 8 . 1 1 77 77 THR N N 77 121.464 121.464 116.273 5.191 19087 4107 1 8 . 1 1 77 77 THR HA H 77 4.734 4.734 4.347 0.387 19087 4108 1 8 . 1 1 77 77 THR C C 77 174.143 174.143 174.244 -0.101 19087 4109 1 8 . 1 1 77 77 THR CA C 77 63.914 63.914 63.077 0.837 19087 4110 1 8 . 1 1 77 77 THR CB C 77 70.070 70.070 68.809 1.261 19087 4111 1 8 . 1 1 77 77 THR H H 77 8.390 8.390 8.359 0.031 19087 4112 1 8 . 1 1 78 78 THR N N 78 123.538 123.538 124.445 -0.907 19087 4113 1 8 . 1 1 78 78 THR HA H 78 4.644 4.644 4.761 -0.117 19087 4114 1 8 . 1 1 78 78 THR C C 78 181.684 181.684 172.646 9.038 19087 4115 1 8 . 1 1 78 78 THR CA C 78 62.511 62.511 61.531 0.980 19087 4116 1 8 . 1 1 78 78 THR CB C 78 72.846 72.846 72.817 0.029 19087 4117 1 8 . 1 1 78 78 THR H H 78 8.355 8.355 8.490 -0.135 19087 4118 1 8 . 1 1 79 79 VAL N N 79 126.455 126.455 124.955 1.500 19087 4119 1 8 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.185 0.411 19087 4120 1 8 . 1 1 79 79 VAL C C 79 173.702 173.702 174.301 -0.599 19087 4121 1 8 . 1 1 79 79 VAL CA C 79 60.385 60.385 61.700 -1.315 19087 4122 1 8 . 1 1 79 79 VAL CB C 79 33.089 33.089 32.551 0.538 19087 4123 1 8 . 1 1 79 79 VAL H H 79 8.685 8.685 8.504 0.181 19087 4124 1 8 . 1 1 80 80 TYR N N 80 123.574 123.574 128.149 -4.575 19087 4125 1 8 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.394 1.006 19087 4126 1 8 . 1 1 80 80 TYR C C 80 176.410 176.410 175.831 0.579 19087 4127 1 8 . 1 1 80 80 TYR CA C 80 56.608 56.608 56.114 0.494 19087 4128 1 8 . 1 1 80 80 TYR CB C 80 42.567 42.567 39.373 3.194 19087 4129 1 8 . 1 1 80 80 TYR H H 80 9.702 9.702 8.857 0.845 19087 4130 1 8 . 1 1 81 81 TYR N N 81 117.754 117.754 121.523 -3.769 19087 4131 1 8 . 1 1 81 81 TYR HA H 81 5.474 5.474 4.991 0.483 19087 4132 1 8 . 1 1 81 81 TYR C C 81 173.237 173.237 174.470 -1.233 19087 4133 1 8 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.996 -0.498 19087 4134 1 8 . 1 1 81 81 TYR CB C 81 42.249 42.249 39.212 3.037 19087 4135 1 8 . 1 1 81 81 TYR H H 81 8.221 8.221 8.357 -0.136 19087 4136 1 8 . 1 1 82 82 THR N N 82 111.056 111.056 116.081 -5.025 19087 4137 1 8 . 1 1 82 82 THR HA H 82 4.724 4.724 4.357 0.367 19087 4138 1 8 . 1 1 82 82 THR C C 82 174.521 174.521 174.569 -0.048 19087 4139 1 8 . 1 1 82 82 THR CA C 82 60.896 60.896 61.677 -0.781 19087 4140 1 8 . 1 1 82 82 THR CB C 82 71.506 71.506 69.852 1.654 19087 4141 1 8 . 1 1 82 82 THR H H 82 8.245 8.245 8.661 -0.416 19087 4142 1 8 . 1 1 83 83 GLU N N 83 117.058 117.058 117.835 -0.777 19087 4143 1 8 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.579 -0.102 19087 4144 1 8 . 1 1 83 83 GLU C C 83 176.152 176.152 176.557 -0.405 19087 4145 1 8 . 1 1 83 83 GLU CA C 83 57.179 57.179 55.501 1.678 19087 4146 1 8 . 1 1 83 83 GLU CB C 83 28.714 28.714 30.534 -1.820 19087 4147 1 8 . 1 1 83 83 GLU H H 83 8.772 8.772 8.651 0.121 19087 4148 1 8 . 1 1 84 84 VAL N N 84 123.039 123.039 122.784 0.255 19087 4149 1 8 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.904 -0.010 19087 4150 1 8 . 1 1 84 84 VAL C C 84 177.170 177.170 176.405 0.765 19087 4151 1 8 . 1 1 84 84 VAL CA C 84 63.678 63.678 63.886 -0.208 19087 4152 1 8 . 1 1 84 84 VAL CB C 84 32.474 32.474 30.150 2.324 19087 4153 1 8 . 1 1 84 84 VAL H H 84 7.818 7.818 7.836 -0.018 19087 4154 1 8 . 1 1 85 85 GLU N N 85 129.351 129.351 126.475 2.876 19087 4155 1 8 . 1 1 85 85 GLU HA H 85 3.892 3.892 4.000 -0.108 19087 4156 1 8 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.815 0.190 19087 4157 1 8 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.598 0.925 19087 4158 1 8 . 1 1 85 85 GLU H H 85 8.796 8.796 9.087 -0.291 19087 4159 1 8 . 1 1 86 86 GLY C C 86 176.321 176.321 174.398 1.923 19087 4160 1 8 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.119 0.757 19087 4161 1 8 . 1 1 87 87 GLU N N 87 121.773 121.773 122.468 -0.695 19087 4162 1 8 . 1 1 87 87 GLU HA H 87 3.948 3.948 3.958 -0.010 19087 4163 1 8 . 1 1 87 87 GLU C C 87 178.276 178.276 177.774 0.502 19087 4164 1 8 . 1 1 87 87 GLU CA C 87 61.762 61.762 58.909 2.853 19087 4165 1 8 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.631 0.465 19087 4166 1 8 . 1 1 87 87 GLU H H 87 8.133 8.133 8.129 0.004 19087 4167 1 8 . 1 1 88 88 ARG N N 88 121.466 121.466 119.569 1.897 19087 4168 1 8 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.485 -0.123 19087 4169 1 8 . 1 1 88 88 ARG C C 88 177.229 177.229 177.686 -0.457 19087 4170 1 8 . 1 1 88 88 ARG CA C 88 59.493 59.493 59.086 0.408 19087 4171 1 8 . 1 1 88 88 ARG CB C 88 29.059 29.059 29.528 -0.469 19087 4172 1 8 . 1 1 88 88 ARG H H 88 9.132 9.132 8.363 0.769 19087 4173 1 8 . 1 1 89 89 ALA N N 89 119.527 119.527 119.705 -0.178 19087 4174 1 8 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.029 0.154 19087 4175 1 8 . 1 1 89 89 ALA C C 89 181.949 181.949 179.331 2.618 19087 4176 1 8 . 1 1 89 89 ALA CA C 89 55.282 55.282 55.117 0.165 19087 4177 1 8 . 1 1 89 89 ALA CB C 89 18.128 18.128 17.937 0.191 19087 4178 1 8 . 1 1 89 89 ALA H H 89 8.388 8.388 7.537 0.851 19087 4179 1 8 . 1 1 90 90 THR N N 90 115.279 115.279 112.777 2.502 19087 4180 1 8 . 1 1 90 90 THR HA H 90 4.146 4.146 4.405 -0.259 19087 4181 1 8 . 1 1 90 90 THR C C 90 175.118 175.118 176.158 -1.040 19087 4182 1 8 . 1 1 90 90 THR CA C 90 66.607 66.607 65.214 1.393 19087 4183 1 8 . 1 1 90 90 THR CB C 90 68.971 68.971 68.751 0.220 19087 4184 1 8 . 1 1 90 90 THR H H 90 7.640 7.640 8.104 -0.464 19087 4185 1 8 . 1 1 91 91 ALA N N 91 124.784 124.784 122.768 2.016 19087 4186 1 8 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.111 -0.342 19087 4187 1 8 . 1 1 91 91 ALA C C 91 178.546 178.546 178.536 0.010 19087 4188 1 8 . 1 1 91 91 ALA CA C 91 55.552 55.552 54.387 1.165 19087 4189 1 8 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.981 0.272 19087 4190 1 8 . 1 1 91 91 ALA H H 91 9.095 9.095 7.479 1.616 19087 4191 1 8 . 1 1 92 92 ASP N N 92 118.310 118.310 120.651 -2.341 19087 4192 1 8 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.240 0.177 19087 4193 1 8 . 1 1 92 92 ASP C C 92 179.053 179.053 178.040 1.013 19087 4194 1 8 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.715 -0.074 19087 4195 1 8 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.676 -0.247 19087 4196 1 8 . 1 1 92 92 ASP H H 92 8.898 8.898 8.329 0.569 19087 4197 1 8 . 1 1 93 93 ALA N N 93 122.980 122.980 120.947 2.033 19087 4198 1 8 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.039 0.235 19087 4199 1 8 . 1 1 93 93 ALA C C 93 180.933 180.933 178.897 2.036 19087 4200 1 8 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.260 0.315 19087 4201 1 8 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.654 -0.478 19087 4202 1 8 . 1 1 93 93 ALA H H 93 7.424 7.424 7.590 -0.166 19087 4203 1 8 . 1 1 94 94 VAL N N 94 123.968 123.968 118.273 5.695 19087 4204 1 8 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.759 -0.815 19087 4205 1 8 . 1 1 94 94 VAL C C 94 178.269 178.269 178.486 -0.217 19087 4206 1 8 . 1 1 94 94 VAL CA C 94 66.399 66.399 65.668 0.731 19087 4207 1 8 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.768 -1.065 19087 4208 1 8 . 1 1 94 94 VAL H H 94 8.808 8.808 7.013 1.795 19087 4209 1 8 . 1 1 95 95 GLY N N 95 108.282 108.282 106.724 1.558 19087 4210 1 8 . 1 1 95 95 GLY C C 95 176.440 176.440 175.973 0.467 19087 4211 1 8 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.268 0.651 19087 4212 1 8 . 1 1 95 95 GLY H H 95 9.355 9.355 8.360 0.995 19087 4213 1 8 . 1 1 96 96 ARG N N 96 120.852 120.852 118.484 2.368 19087 4214 1 8 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.242 -0.039 19087 4215 1 8 . 1 1 96 96 ARG C C 96 179.101 179.101 177.963 1.138 19087 4216 1 8 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.263 0.947 19087 4217 1 8 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.326 0.208 19087 4218 1 8 . 1 1 96 96 ARG H H 96 8.112 8.112 7.572 0.540 19087 4219 1 8 . 1 1 97 97 THR N N 97 117.170 117.170 114.944 2.226 19087 4220 1 8 . 1 1 97 97 THR HA H 97 3.986 3.986 4.177 -0.191 19087 4221 1 8 . 1 1 97 97 THR C C 97 175.451 175.451 175.756 -0.305 19087 4222 1 8 . 1 1 97 97 THR CA C 97 66.867 66.867 65.160 1.707 19087 4223 1 8 . 1 1 97 97 THR CB C 97 68.205 68.205 69.129 -0.924 19087 4224 1 8 . 1 1 97 97 THR H H 97 7.854 7.854 7.581 0.273 19087 4225 1 8 . 1 1 98 98 LEU N N 98 115.294 115.294 120.825 -5.531 19087 4226 1 8 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.163 0.142 19087 4227 1 8 . 1 1 98 98 LEU C C 98 177.537 177.537 177.827 -0.290 19087 4228 1 8 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.742 -1.159 19087 4229 1 8 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.405 0.968 19087 4230 1 8 . 1 1 98 98 LEU H H 98 7.855 7.855 8.001 -0.146 19087 4231 1 8 . 1 1 99 99 GLY N N 99 111.931 111.931 106.491 5.440 19087 4232 1 8 . 1 1 99 99 GLY C C 99 173.997 173.997 173.740 0.257 19087 4233 1 8 . 1 1 99 99 GLY CA C 99 46.993 46.993 44.998 1.994 19087 4234 1 8 . 1 1 99 99 GLY H H 99 8.101 8.101 7.815 0.286 19087 4235 1 8 . 1 1 100 100 ALA N N 100 121.739 121.739 121.293 0.446 19087 4236 1 8 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.584 0.153 19087 4237 1 8 . 1 1 100 100 ALA C C 100 175.351 175.351 175.404 -0.053 19087 4238 1 8 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.645 -0.239 19087 4239 1 8 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.472 2.487 19087 4240 1 8 . 1 1 100 100 ALA H H 100 8.033 8.033 7.655 0.378 19087 4241 1 8 . 1 1 101 101 ALA N N 101 122.895 122.895 124.639 -1.744 19087 4242 1 8 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.426 -0.217 19087 4243 1 8 . 1 1 101 101 ALA C C 101 175.179 175.179 176.724 -1.545 19087 4244 1 8 . 1 1 101 101 ALA CA C 101 52.737 52.737 51.834 0.903 19087 4245 1 8 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.420 0.394 19087 4246 1 8 . 1 1 101 101 ALA H H 101 7.782 7.782 8.554 -0.772 19087 4247 1 8 . 1 1 102 102 VAL N N 102 120.035 120.035 120.238 -0.203 19087 4248 1 8 . 1 1 102 102 VAL HA H 102 5.054 5.054 5.013 0.041 19087 4249 1 8 . 1 1 102 102 VAL C C 102 176.587 176.587 175.827 0.760 19087 4250 1 8 . 1 1 102 102 VAL CA C 102 60.988 60.988 61.412 -0.424 19087 4251 1 8 . 1 1 102 102 VAL CB C 102 33.725 33.725 32.388 1.337 19087 4252 1 8 . 1 1 102 102 VAL H H 102 7.872 7.872 8.208 -0.336 19087 4253 1 8 . 1 1 103 103 GLU N N 103 126.469 126.469 126.093 0.376 19087 4254 1 8 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.666 0.213 19087 4255 1 8 . 1 1 103 103 GLU C C 103 174.343 174.343 174.952 -0.609 19087 4256 1 8 . 1 1 103 103 GLU CA C 103 54.351 54.351 53.642 0.709 19087 4257 1 8 . 1 1 103 103 GLU CB C 103 35.595 35.595 34.042 1.553 19087 4258 1 8 . 1 1 103 103 GLU H H 103 9.215 9.215 8.493 0.722 19087 4259 1 8 . 1 1 104 104 LEU N N 104 123.109 123.109 117.540 5.569 19087 4260 1 8 . 1 1 104 104 LEU HA H 104 3.591 3.591 3.893 -0.302 19087 4261 1 8 . 1 1 104 104 LEU C C 104 178.379 178.379 177.460 0.919 19087 4262 1 8 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.373 -0.453 19087 4263 1 8 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.352 0.558 19087 4264 1 8 . 1 1 104 104 LEU H H 104 8.273 8.273 8.158 0.115 19087 4265 1 8 . 1 1 105 105 ARG N N 105 119.790 119.790 118.629 1.161 19087 4266 1 8 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.053 0.208 19087 4267 1 8 . 1 1 105 105 ARG C C 105 177.043 177.043 176.056 0.987 19087 4268 1 8 . 1 1 105 105 ARG CA C 105 59.310 59.310 56.663 2.647 19087 4269 1 8 . 1 1 105 105 ARG CB C 105 32.077 32.077 29.868 2.209 19087 4270 1 8 . 1 1 105 105 ARG H H 105 8.300 8.300 7.959 0.341 19087 4271 1 8 . 1 1 106 106 LEU N N 106 122.431 122.431 114.776 7.655 19087 4272 1 8 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.087 0.311 19087 4273 1 8 . 1 1 106 106 LEU CA C 106 54.701 54.701 54.487 0.214 19087 4274 1 8 . 1 1 106 106 LEU CB C 106 42.469 42.469 41.012 1.457 19087 4275 1 8 . 1 1 106 106 LEU H H 106 8.026 8.026 7.671 0.355 19087 4276 1 8 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.233 0.006 19087 4277 1 8 . 1 1 107 107 PRO C C 107 179.627 179.627 177.950 1.677 19087 4278 1 8 . 1 1 107 107 PRO CA C 107 65.898 65.898 65.304 0.594 19087 4279 1 8 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.740 -0.221 19087 4280 1 8 . 1 1 108 108 GLU N N 108 116.744 116.744 117.972 -1.228 19087 4281 1 8 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.046 0.052 19087 4282 1 8 . 1 1 108 108 GLU C C 108 176.957 176.957 178.433 -1.476 19087 4283 1 8 . 1 1 108 108 GLU CA C 108 59.584 59.584 58.458 1.126 19087 4284 1 8 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.291 0.866 19087 4285 1 8 . 1 1 108 108 GLU H H 108 9.605 9.605 8.845 0.760 19087 4286 1 8 . 1 1 109 109 LEU N N 109 116.575 116.575 120.658 -4.083 19087 4287 1 8 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.029 0.501 19087 4288 1 8 . 1 1 109 109 LEU C C 109 177.894 177.894 177.967 -0.073 19087 4289 1 8 . 1 1 109 109 LEU CA C 109 53.489 53.489 57.057 -3.568 19087 4290 1 8 . 1 1 109 109 LEU CB C 109 42.241 42.241 41.919 0.322 19087 4291 1 8 . 1 1 109 109 LEU H H 109 7.630 7.630 7.464 0.166 19087 4292 1 8 . 1 1 110 110 SER N N 110 117.031 117.031 114.652 2.379 19087 4293 1 8 . 1 1 110 110 SER HA H 110 3.943 3.943 4.139 -0.196 19087 4294 1 8 . 1 1 110 110 SER C C 110 174.273 174.273 175.691 -1.418 19087 4295 1 8 . 1 1 110 110 SER CA C 110 59.543 59.543 60.737 -1.194 19087 4296 1 8 . 1 1 110 110 SER CB C 110 63.609 63.609 63.197 0.412 19087 4297 1 8 . 1 1 110 110 SER H H 110 7.757 7.757 7.776 -0.019 19087 4298 1 8 . 1 1 111 111 ASP N N 111 117.804 117.804 120.859 -3.055 19087 4299 1 8 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.751 -0.169 19087 4300 1 8 . 1 1 111 111 ASP C C 111 176.760 176.760 175.568 1.192 19087 4301 1 8 . 1 1 111 111 ASP CA C 111 53.976 53.976 54.411 -0.435 19087 4302 1 8 . 1 1 111 111 ASP CB C 111 40.183 40.183 42.603 -2.420 19087 4303 1 8 . 1 1 111 111 ASP H H 111 8.315 8.315 7.733 0.582 19087 4304 1 8 . 1 1 112 112 GLN N N 112 119.300 119.300 120.455 -1.155 19087 4305 1 8 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.239 0.061 19087 4306 1 8 . 1 1 112 112 GLN CA C 112 55.014 55.014 55.118 -0.104 19087 4307 1 8 . 1 1 112 112 GLN CB C 112 26.568 26.568 28.314 -1.746 19087 4308 1 8 . 1 1 112 112 GLN H H 112 7.212 7.212 7.526 -0.314 19087 4309 1 8 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.293 0.234 19087 4310 1 8 . 1 1 114 114 PRO C C 114 175.464 175.464 176.758 -1.294 19087 4311 1 8 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.737 0.332 19087 4312 1 8 . 1 1 114 114 PRO CB C 114 32.447 32.447 31.907 0.540 19087 4313 1 8 . 1 1 115 115 GLY N N 115 113.817 113.817 108.733 5.084 19087 4314 1 8 . 1 1 115 115 GLY C C 115 173.552 173.552 173.254 0.298 19087 4315 1 8 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.315 -0.362 19087 4316 1 8 . 1 1 115 115 GLY H H 115 8.443 8.443 8.083 0.360 19087 4317 1 8 . 1 1 116 116 VAL N N 116 122.049 122.049 116.898 5.151 19087 4318 1 8 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.490 -0.359 19087 4319 1 8 . 1 1 116 116 VAL C C 116 174.533 174.533 175.766 -1.233 19087 4320 1 8 . 1 1 116 116 VAL CA C 116 63.916 63.916 62.542 1.374 19087 4321 1 8 . 1 1 116 116 VAL CB C 116 32.342 32.342 32.312 0.030 19087 4322 1 8 . 1 1 116 116 VAL H H 116 8.957 8.957 8.064 0.893 19087 4323 1 8 . 1 1 117 117 ILE N N 117 126.102 126.102 123.901 2.201 19087 4324 1 8 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.344 -0.405 19087 4325 1 8 . 1 1 117 117 ILE C C 117 174.181 174.181 175.395 -1.214 19087 4326 1 8 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.773 1.296 19087 4327 1 8 . 1 1 117 117 ILE CB C 117 42.368 42.368 39.399 2.969 19087 4328 1 8 . 1 1 117 117 ILE H H 117 7.863 7.863 8.422 -0.559 19087 4329 1 8 . 1 1 118 118 VAL N N 118 127.665 127.665 127.914 -0.249 19087 4330 1 8 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.241 0.683 19087 4331 1 8 . 1 1 118 118 VAL C C 118 175.224 175.224 174.745 0.479 19087 4332 1 8 . 1 1 118 118 VAL CA C 118 60.580 60.580 61.527 -0.947 19087 4333 1 8 . 1 1 118 118 VAL CB C 118 33.945 33.945 30.706 3.240 19087 4334 1 8 . 1 1 118 118 VAL H H 118 9.348 9.348 8.681 0.667 19087 4335 1 8 . 1 1 119 119 VAL N N 119 121.828 121.828 130.392 -8.564 19087 4336 1 8 . 1 1 119 119 VAL HA H 119 5.563 5.563 5.240 0.323 19087 4337 1 8 . 1 1 119 119 VAL C C 119 174.425 174.425 174.009 0.416 19087 4338 1 8 . 1 1 119 119 VAL CA C 119 58.691 58.691 59.766 -1.075 19087 4339 1 8 . 1 1 119 119 VAL CB C 119 32.886 32.886 34.654 -1.768 19087 4340 1 8 . 1 1 119 119 VAL H H 119 9.096 9.096 8.695 0.401 19087 4341 1 8 . 1 1 120 120 VAL N N 120 120.260 120.260 128.858 -8.598 19087 4342 1 8 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.510 0.308 19087 4343 1 8 . 1 1 120 120 VAL C C 120 175.649 175.649 174.692 0.957 19087 4344 1 8 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.806 -0.175 19087 4345 1 8 . 1 1 120 120 VAL CB C 120 34.550 34.550 35.113 -0.563 19087 4346 1 8 . 1 1 120 120 VAL H H 120 8.809 8.809 8.470 0.339 19087 4347 1 8 . 1 1 121 121 THR N N 121 114.564 114.564 120.488 -5.924 19087 4348 1 8 . 1 1 121 121 THR HA H 121 4.428 4.428 4.608 -0.180 19087 4349 1 8 . 1 1 121 121 THR C C 121 173.833 173.833 174.104 -0.271 19087 4350 1 8 . 1 1 121 121 THR CA C 121 60.834 60.834 59.978 0.856 19087 4351 1 8 . 1 1 121 121 THR CB C 121 69.413 69.413 70.207 -0.794 19087 4352 1 8 . 1 1 121 121 THR H H 121 7.859 7.859 8.427 -0.568 19087 4353 1 9 . 1 1 6 6 SER C C 6 174.665 174.665 175.226 -0.561 19087 4354 1 9 . 1 1 6 6 SER CA C 6 58.745 58.745 57.752 0.993 19087 4355 1 9 . 1 1 6 6 SER CB C 6 63.870 63.870 63.519 0.351 19087 4356 1 9 . 1 1 7 7 GLU N N 7 122.278 122.278 122.958 -0.680 19087 4357 1 9 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.197 0.531 19087 4358 1 9 . 1 1 7 7 GLU C C 7 176.279 176.279 176.278 0.001 19087 4359 1 9 . 1 1 7 7 GLU CA C 7 56.894 56.894 57.158 -0.264 19087 4360 1 9 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.954 0.255 19087 4361 1 9 . 1 1 7 7 GLU H H 7 8.475 8.475 8.581 -0.106 19087 4362 1 9 . 1 1 8 8 ASP N N 8 120.753 120.753 118.129 2.624 19087 4363 1 9 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.587 0.122 19087 4364 1 9 . 1 1 8 8 ASP C C 8 176.070 176.070 175.799 0.271 19087 4365 1 9 . 1 1 8 8 ASP CA C 8 54.366 54.366 54.896 -0.530 19087 4366 1 9 . 1 1 8 8 ASP CB C 8 41.459 41.459 40.893 0.566 19087 4367 1 9 . 1 1 8 8 ASP H H 8 8.206 8.206 8.249 -0.043 19087 4368 1 9 . 1 1 9 9 ASP N N 9 121.430 121.430 121.265 0.165 19087 4369 1 9 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.457 0.246 19087 4370 1 9 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.817 -0.373 19087 4371 1 9 . 1 1 9 9 ASP CB C 9 41.220 41.220 40.668 0.552 19087 4372 1 9 . 1 1 9 9 ASP H H 9 8.256 8.256 7.822 0.434 19087 4373 1 9 . 1 1 11 11 SER C C 11 174.517 174.517 172.962 1.555 19087 4374 1 9 . 1 1 11 11 SER CA C 11 59.364 59.364 57.652 1.712 19087 4375 1 9 . 1 1 11 11 SER CB C 11 63.989 63.989 63.967 0.022 19087 4376 1 9 . 1 1 12 12 ALA N N 12 125.500 125.500 125.866 -0.366 19087 4377 1 9 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.638 -0.282 19087 4378 1 9 . 1 1 12 12 ALA C C 12 177.811 177.811 175.552 2.259 19087 4379 1 9 . 1 1 12 12 ALA CA C 12 52.815 52.815 51.588 1.227 19087 4380 1 9 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.247 -1.044 19087 4381 1 9 . 1 1 12 12 ALA H H 12 8.087 8.087 8.114 -0.027 19087 4382 1 9 . 1 1 13 13 ILE N N 13 119.045 119.045 119.144 -0.099 19087 4383 1 9 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.659 -0.466 19087 4384 1 9 . 1 1 13 13 ILE CA C 13 61.163 61.163 61.410 -0.247 19087 4385 1 9 . 1 1 13 13 ILE CB C 13 38.721 38.721 38.834 -0.113 19087 4386 1 9 . 1 1 13 13 ILE H H 13 7.938 7.938 8.371 -0.433 19087 4387 1 9 . 1 1 14 14 SER N N 14 119.662 119.662 121.755 -2.093 19087 4388 1 9 . 1 1 14 14 SER H H 14 8.339 8.339 8.674 -0.335 19087 4389 1 9 . 1 1 21 21 ALA HA H 21 4.286 4.286 5.129 -0.843 19087 4390 1 9 . 1 1 21 21 ALA C C 21 177.013 177.013 175.307 1.706 19087 4391 1 9 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.569 0.016 19087 4392 1 9 . 1 1 21 21 ALA CB C 21 19.339 19.339 20.695 -1.357 19087 4393 1 9 . 1 1 22 22 ALA N N 22 124.579 124.579 124.758 -0.179 19087 4394 1 9 . 1 1 22 22 ALA HA H 22 4.725 4.725 5.051 -0.326 19087 4395 1 9 . 1 1 22 22 ALA CA C 22 50.310 50.310 50.943 -0.633 19087 4396 1 9 . 1 1 22 22 ALA CB C 22 18.232 18.232 18.904 -0.672 19087 4397 1 9 . 1 1 22 22 ALA H H 22 8.182 8.182 8.803 -0.621 19087 4398 1 9 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.344 -0.209 19087 4399 1 9 . 1 1 28 28 VAL C C 28 175.779 175.779 173.702 2.077 19087 4400 1 9 . 1 1 28 28 VAL CA C 28 62.167 62.167 62.056 0.111 19087 4401 1 9 . 1 1 28 28 VAL CB C 28 32.681 32.681 33.224 -0.543 19087 4402 1 9 . 1 1 29 29 LYS N N 29 126.858 126.858 128.338 -1.480 19087 4403 1 9 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.760 -0.048 19087 4404 1 9 . 1 1 29 29 LYS CA C 29 54.135 54.135 54.413 -0.279 19087 4405 1 9 . 1 1 29 29 LYS CB C 29 32.646 32.646 34.253 -1.607 19087 4406 1 9 . 1 1 29 29 LYS H H 29 8.346 8.346 8.189 0.157 19087 4407 1 9 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.572 -0.170 19087 4408 1 9 . 1 1 30 30 PRO C C 30 176.435 176.435 176.331 0.104 19087 4409 1 9 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.693 0.083 19087 4410 1 9 . 1 1 30 30 PRO CB C 30 32.154 32.154 31.848 0.306 19087 4411 1 9 . 1 1 31 31 ALA N N 31 124.680 124.680 125.526 -0.846 19087 4412 1 9 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.516 -0.169 19087 4413 1 9 . 1 1 31 31 ALA C C 31 176.860 176.860 175.802 1.058 19087 4414 1 9 . 1 1 31 31 ALA CA C 31 52.316 52.316 52.931 -0.615 19087 4415 1 9 . 1 1 31 31 ALA CB C 31 19.398 19.398 20.068 -0.670 19087 4416 1 9 . 1 1 31 31 ALA H H 31 8.324 8.324 8.331 -0.007 19087 4417 1 9 . 1 1 32 32 ALA N N 32 125.011 125.011 125.754 -0.743 19087 4418 1 9 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.592 0.144 19087 4419 1 9 . 1 1 32 32 ALA CA C 32 50.487 50.487 51.650 -1.163 19087 4420 1 9 . 1 1 32 32 ALA CB C 32 18.203 18.203 19.373 -1.170 19087 4421 1 9 . 1 1 32 32 ALA H H 32 8.246 8.246 8.395 -0.149 19087 4422 1 9 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.528 -0.062 19087 4423 1 9 . 1 1 33 33 PRO C C 33 176.834 176.834 176.415 0.419 19087 4424 1 9 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.370 0.455 19087 4425 1 9 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.395 -0.400 19087 4426 1 9 . 1 1 34 34 ARG N N 34 121.170 121.170 123.272 -2.102 19087 4427 1 9 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.650 -0.264 19087 4428 1 9 . 1 1 34 34 ARG C C 34 175.853 175.853 176.327 -0.474 19087 4429 1 9 . 1 1 34 34 ARG CA C 34 55.912 55.912 54.641 1.271 19087 4430 1 9 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.564 0.108 19087 4431 1 9 . 1 1 34 34 ARG H H 34 8.349 8.349 8.392 -0.043 19087 4432 1 9 . 1 1 35 35 ALA N N 35 124.878 124.878 121.594 3.284 19087 4433 1 9 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.316 0.296 19087 4434 1 9 . 1 1 35 35 ALA C C 35 176.170 176.170 177.332 -1.162 19087 4435 1 9 . 1 1 35 35 ALA CA C 35 51.566 51.566 52.104 -0.538 19087 4436 1 9 . 1 1 35 35 ALA CB C 35 20.722 20.722 19.399 1.323 19087 4437 1 9 . 1 1 35 35 ALA H H 35 8.008 8.008 8.420 -0.412 19087 4438 1 9 . 1 1 36 36 GLU N N 36 119.776 119.776 120.044 -0.268 19087 4439 1 9 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.185 0.246 19087 4440 1 9 . 1 1 36 36 GLU C C 36 174.618 174.618 175.448 -0.830 19087 4441 1 9 . 1 1 36 36 GLU CA C 36 56.472 56.472 56.224 0.248 19087 4442 1 9 . 1 1 36 36 GLU CB C 36 31.124 31.124 29.143 1.981 19087 4443 1 9 . 1 1 36 36 GLU H H 36 8.495 8.495 8.430 0.065 19087 4444 1 9 . 1 1 37 37 VAL N N 37 119.808 119.808 124.438 -4.630 19087 4445 1 9 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.818 0.084 19087 4446 1 9 . 1 1 37 37 VAL C C 37 174.285 174.285 175.633 -1.348 19087 4447 1 9 . 1 1 37 37 VAL CA C 37 60.639 60.639 61.896 -1.257 19087 4448 1 9 . 1 1 37 37 VAL CB C 37 34.612 34.612 32.895 1.717 19087 4449 1 9 . 1 1 37 37 VAL H H 37 8.494 8.494 8.617 -0.123 19087 4450 1 9 . 1 1 38 38 ARG N N 38 124.534 124.534 122.504 2.030 19087 4451 1 9 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.309 -0.383 19087 4452 1 9 . 1 1 38 38 ARG C C 38 174.239 174.239 174.122 0.117 19087 4453 1 9 . 1 1 38 38 ARG CA C 38 55.092 55.092 53.990 1.101 19087 4454 1 9 . 1 1 38 38 ARG CB C 38 34.190 34.190 34.034 0.156 19087 4455 1 9 . 1 1 38 38 ARG H H 38 8.652 8.652 8.792 -0.140 19087 4456 1 9 . 1 1 39 39 VAL N N 39 121.231 121.231 119.661 1.570 19087 4457 1 9 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.552 0.246 19087 4458 1 9 . 1 1 39 39 VAL C C 39 173.357 173.357 174.143 -0.786 19087 4459 1 9 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.452 -0.814 19087 4460 1 9 . 1 1 39 39 VAL CB C 39 34.294 34.294 34.682 -0.388 19087 4461 1 9 . 1 1 39 39 VAL H H 39 7.934 7.934 8.229 -0.295 19087 4462 1 9 . 1 1 40 40 TYR N N 40 122.262 122.262 126.720 -4.458 19087 4463 1 9 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.116 0.038 19087 4464 1 9 . 1 1 40 40 TYR C C 40 175.124 175.124 175.375 -0.251 19087 4465 1 9 . 1 1 40 40 TYR CA C 40 55.540 55.540 55.728 -0.188 19087 4466 1 9 . 1 1 40 40 TYR CB C 40 42.223 42.223 39.065 3.158 19087 4467 1 9 . 1 1 40 40 TYR H H 40 9.343 9.343 8.899 0.444 19087 4468 1 9 . 1 1 41 41 ASN N N 41 121.684 121.684 124.461 -2.777 19087 4469 1 9 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.198 -0.166 19087 4470 1 9 . 1 1 41 41 ASN C C 41 176.301 176.301 175.654 0.647 19087 4471 1 9 . 1 1 41 41 ASN CA C 41 52.635 52.635 53.774 -1.139 19087 4472 1 9 . 1 1 41 41 ASN CB C 41 39.836 39.836 39.168 0.668 19087 4473 1 9 . 1 1 41 41 ASN H H 41 9.287 9.287 8.767 0.520 19087 4474 1 9 . 1 1 42 42 ILE N N 42 119.462 119.462 125.683 -6.221 19087 4475 1 9 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.525 0.925 19087 4476 1 9 . 1 1 42 42 ILE C C 42 176.450 176.450 175.534 0.916 19087 4477 1 9 . 1 1 42 42 ILE CA C 42 60.513 60.513 61.460 -0.947 19087 4478 1 9 . 1 1 42 42 ILE CB C 42 38.597 38.597 39.356 -0.759 19087 4479 1 9 . 1 1 42 42 ILE H H 42 8.541 8.541 8.208 0.333 19087 4480 1 9 . 1 1 43 43 SER N N 43 118.212 118.212 112.276 5.936 19087 4481 1 9 . 1 1 43 43 SER HA H 43 4.729 4.729 4.704 0.025 19087 4482 1 9 . 1 1 43 43 SER CA C 43 58.598 58.598 57.279 1.319 19087 4483 1 9 . 1 1 43 43 SER CB C 43 66.262 66.262 65.848 0.414 19087 4484 1 9 . 1 1 43 43 SER H H 43 8.142 8.142 7.463 0.679 19087 4485 1 9 . 1 1 44 44 GLY C C 44 174.414 174.414 173.983 0.431 19087 4486 1 9 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.803 -0.424 19087 4487 1 9 . 1 1 45 45 THR N N 45 116.371 116.371 115.034 1.337 19087 4488 1 9 . 1 1 45 45 THR HA H 45 4.384 4.384 4.121 0.263 19087 4489 1 9 . 1 1 45 45 THR CA C 45 61.814 61.814 63.546 -1.732 19087 4490 1 9 . 1 1 45 45 THR CB C 45 69.787 69.787 67.929 1.858 19087 4491 1 9 . 1 1 45 45 THR H H 45 8.298 8.298 8.096 0.202 19087 4492 1 9 . 1 1 47 47 GLY C C 47 175.691 175.691 175.231 0.460 19087 4493 1 9 . 1 1 47 47 GLY CA C 47 46.191 46.191 46.238 -0.047 19087 4494 1 9 . 1 1 48 48 ALA N N 48 121.957 121.957 124.035 -2.078 19087 4495 1 9 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.201 -0.172 19087 4496 1 9 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.515 0.887 19087 4497 1 9 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.365 0.127 19087 4498 1 9 . 1 1 48 48 ALA H H 48 7.511 7.511 8.156 -0.645 19087 4499 1 9 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.980 0.004 19087 4500 1 9 . 1 1 49 49 ALA C C 49 178.073 178.073 178.602 -0.529 19087 4501 1 9 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.458 0.403 19087 4502 1 9 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.603 0.086 19087 4503 1 9 . 1 1 50 50 ALA N N 50 122.654 122.654 119.794 2.860 19087 4504 1 9 . 1 1 50 50 ALA HA H 50 3.989 3.989 4.031 -0.042 19087 4505 1 9 . 1 1 50 50 ALA C C 50 179.642 179.642 178.949 0.693 19087 4506 1 9 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.075 1.776 19087 4507 1 9 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.334 -0.546 19087 4508 1 9 . 1 1 50 50 ALA H H 50 7.965 7.965 7.563 0.402 19087 4509 1 9 . 1 1 51 51 ARG N N 51 116.659 116.659 118.990 -2.331 19087 4510 1 9 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.094 0.097 19087 4511 1 9 . 1 1 51 51 ARG C C 51 179.931 179.931 177.834 2.097 19087 4512 1 9 . 1 1 51 51 ARG CA C 51 59.512 59.512 59.024 0.488 19087 4513 1 9 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.836 0.627 19087 4514 1 9 . 1 1 51 51 ARG H H 51 7.982 7.982 8.014 -0.032 19087 4515 1 9 . 1 1 52 52 THR N N 52 117.745 117.745 111.280 6.465 19087 4516 1 9 . 1 1 52 52 THR HA H 52 4.162 4.162 4.100 0.062 19087 4517 1 9 . 1 1 52 52 THR C C 52 175.626 175.626 176.001 -0.375 19087 4518 1 9 . 1 1 52 52 THR CA C 52 68.565 68.565 65.279 3.286 19087 4519 1 9 . 1 1 52 52 THR CB C 52 70.787 70.787 68.444 2.343 19087 4520 1 9 . 1 1 52 52 THR H H 52 7.661 7.661 7.544 0.117 19087 4521 1 9 . 1 1 53 53 ALA N N 53 123.939 123.939 123.212 0.727 19087 4522 1 9 . 1 1 53 53 ALA HA H 53 3.886 3.886 4.007 -0.121 19087 4523 1 9 . 1 1 53 53 ALA C C 53 179.013 179.013 178.869 0.144 19087 4524 1 9 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.099 2.098 19087 4525 1 9 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.288 0.429 19087 4526 1 9 . 1 1 53 53 ALA H H 53 8.805 8.805 7.827 0.978 19087 4527 1 9 . 1 1 54 54 ASP N N 54 118.351 118.351 118.551 -0.200 19087 4528 1 9 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.354 0.078 19087 4529 1 9 . 1 1 54 54 ASP C C 54 179.376 179.376 178.217 1.159 19087 4530 1 9 . 1 1 54 54 ASP CA C 54 58.007 58.007 56.873 1.135 19087 4531 1 9 . 1 1 54 54 ASP CB C 54 40.242 40.242 40.983 -0.741 19087 4532 1 9 . 1 1 54 54 ASP H H 54 8.327 8.327 7.694 0.633 19087 4533 1 9 . 1 1 55 55 ARG N N 55 121.120 121.120 118.892 2.228 19087 4534 1 9 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.086 0.089 19087 4535 1 9 . 1 1 55 55 ARG C C 55 179.550 179.550 178.634 0.916 19087 4536 1 9 . 1 1 55 55 ARG CA C 55 59.285 59.285 59.030 0.255 19087 4537 1 9 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.163 0.157 19087 4538 1 9 . 1 1 55 55 ARG H H 55 7.723 7.723 7.539 0.184 19087 4539 1 9 . 1 1 56 56 LEU N N 56 118.659 118.659 119.696 -1.037 19087 4540 1 9 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.039 0.293 19087 4541 1 9 . 1 1 56 56 LEU C C 56 179.305 179.305 178.362 0.943 19087 4542 1 9 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.694 -0.257 19087 4543 1 9 . 1 1 56 56 LEU CB C 56 41.287 41.287 40.877 0.410 19087 4544 1 9 . 1 1 56 56 LEU H H 56 8.215 8.215 7.391 0.824 19087 4545 1 9 . 1 1 57 57 LYS N N 57 122.713 122.713 119.757 2.956 19087 4546 1 9 . 1 1 57 57 LYS HA H 57 4.513 4.513 3.931 0.582 19087 4547 1 9 . 1 1 57 57 LYS C C 57 181.436 181.436 178.322 3.114 19087 4548 1 9 . 1 1 57 57 LYS CA C 57 60.004 60.004 59.783 0.221 19087 4549 1 9 . 1 1 57 57 LYS CB C 57 32.437 32.437 32.397 0.040 19087 4550 1 9 . 1 1 57 57 LYS H H 57 8.914 8.914 7.503 1.411 19087 4551 1 9 . 1 1 58 58 ALA N N 58 122.423 122.423 119.818 2.605 19087 4552 1 9 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.351 -0.141 19087 4553 1 9 . 1 1 58 58 ALA C C 58 178.516 178.516 178.929 -0.413 19087 4554 1 9 . 1 1 58 58 ALA CA C 58 55.069 55.069 53.787 1.282 19087 4555 1 9 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.485 -0.576 19087 4556 1 9 . 1 1 58 58 ALA H H 58 8.026 8.026 7.568 0.458 19087 4557 1 9 . 1 1 59 59 ALA N N 59 118.347 118.347 120.335 -1.988 19087 4558 1 9 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.323 0.163 19087 4559 1 9 . 1 1 59 59 ALA C C 59 176.797 176.797 178.086 -1.289 19087 4560 1 9 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.546 -0.788 19087 4561 1 9 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.700 -0.331 19087 4562 1 9 . 1 1 59 59 ALA H H 59 7.413 7.413 7.638 -0.225 19087 4563 1 9 . 1 1 60 60 GLY N N 60 104.918 104.918 105.729 -0.811 19087 4564 1 9 . 1 1 60 60 GLY C C 60 174.741 174.741 173.717 1.024 19087 4565 1 9 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.686 0.550 19087 4566 1 9 . 1 1 60 60 GLY H H 60 7.694 7.694 7.798 -0.104 19087 4567 1 9 . 1 1 61 61 PHE N N 61 118.862 118.862 118.997 -0.135 19087 4568 1 9 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.895 -0.400 19087 4569 1 9 . 1 1 61 61 PHE C C 61 175.204 175.204 176.867 -1.663 19087 4570 1 9 . 1 1 61 61 PHE CA C 61 58.483 58.483 56.476 2.007 19087 4571 1 9 . 1 1 61 61 PHE CB C 61 39.163 39.163 40.016 -0.853 19087 4572 1 9 . 1 1 61 61 PHE H H 61 7.879 7.879 8.078 -0.199 19087 4573 1 9 . 1 1 62 62 THR N N 62 121.319 121.319 117.534 3.785 19087 4574 1 9 . 1 1 62 62 THR HA H 62 4.303 4.303 4.133 0.170 19087 4575 1 9 . 1 1 62 62 THR C C 62 173.073 173.073 174.481 -1.408 19087 4576 1 9 . 1 1 62 62 THR CA C 62 69.389 69.389 65.352 4.037 19087 4577 1 9 . 1 1 62 62 THR CB C 62 62.478 62.478 69.232 -6.754 19087 4578 1 9 . 1 1 62 62 THR H H 62 9.493 9.493 8.703 0.790 19087 4579 1 9 . 1 1 63 63 VAL N N 63 128.406 128.406 120.747 7.659 19087 4580 1 9 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.313 0.347 19087 4581 1 9 . 1 1 63 63 VAL C C 63 177.267 177.267 174.438 2.829 19087 4582 1 9 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.479 -1.380 19087 4583 1 9 . 1 1 63 63 VAL CB C 63 32.572 32.572 34.689 -2.117 19087 4584 1 9 . 1 1 63 63 VAL H H 63 8.293 8.293 7.923 0.370 19087 4585 1 9 . 1 1 64 64 THR N N 64 118.495 118.495 116.083 2.412 19087 4586 1 9 . 1 1 64 64 THR HA H 64 4.350 4.350 4.938 -0.588 19087 4587 1 9 . 1 1 64 64 THR CA C 64 62.182 62.182 60.426 1.756 19087 4588 1 9 . 1 1 64 64 THR CB C 64 69.143 69.143 69.976 -0.833 19087 4589 1 9 . 1 1 64 64 THR H H 64 8.770 8.770 8.450 0.320 19087 4590 1 9 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.869 -0.568 19087 4591 1 9 . 1 1 65 65 ASP C C 65 173.778 173.778 174.408 -0.630 19087 4592 1 9 . 1 1 65 65 ASP CA C 65 54.287 54.287 52.586 1.701 19087 4593 1 9 . 1 1 65 65 ASP CB C 65 44.018 44.018 43.257 0.761 19087 4594 1 9 . 1 1 66 66 VAL N N 66 121.705 121.705 122.343 -0.638 19087 4595 1 9 . 1 1 66 66 VAL HA H 66 4.863 4.863 4.417 0.446 19087 4596 1 9 . 1 1 66 66 VAL C C 66 176.234 176.234 175.675 0.559 19087 4597 1 9 . 1 1 66 66 VAL CA C 66 60.597 60.597 60.868 -0.272 19087 4598 1 9 . 1 1 66 66 VAL CB C 66 34.120 34.120 34.118 0.002 19087 4599 1 9 . 1 1 66 66 VAL H H 66 7.849 7.849 8.338 -0.489 19087 4600 1 9 . 1 1 67 67 GLY N N 67 112.050 112.050 113.303 -1.253 19087 4601 1 9 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.339 0.279 19087 4602 1 9 . 1 1 67 67 GLY H H 67 8.151 8.151 8.577 -0.426 19087 4603 1 9 . 1 1 68 68 ASN C C 68 173.771 173.771 174.224 -0.453 19087 4604 1 9 . 1 1 68 68 ASN CA C 68 53.062 53.062 52.551 0.511 19087 4605 1 9 . 1 1 68 68 ASN CB C 68 39.832 39.832 40.013 -0.181 19087 4606 1 9 . 1 1 69 69 LEU N N 69 121.003 121.003 125.574 -4.571 19087 4607 1 9 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.683 -0.146 19087 4608 1 9 . 1 1 69 69 LEU C C 69 174.751 174.751 176.312 -1.561 19087 4609 1 9 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.523 -0.598 19087 4610 1 9 . 1 1 69 69 LEU CB C 69 47.313 47.313 46.291 1.022 19087 4611 1 9 . 1 1 69 69 LEU H H 69 8.276 8.276 8.460 -0.184 19087 4612 1 9 . 1 1 70 70 SER N N 70 116.269 116.269 118.643 -2.374 19087 4613 1 9 . 1 1 70 70 SER C C 70 173.777 173.777 174.085 -0.308 19087 4614 1 9 . 1 1 70 70 SER CA C 70 56.923 56.923 58.044 -1.121 19087 4615 1 9 . 1 1 70 70 SER CB C 70 63.219 63.219 62.748 0.471 19087 4616 1 9 . 1 1 70 70 SER H H 70 8.122 8.122 8.505 -0.383 19087 4617 1 9 . 1 1 71 71 LEU N N 71 127.999 127.999 127.593 0.406 19087 4618 1 9 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.696 0.060 19087 4619 1 9 . 1 1 71 71 LEU CA C 71 52.165 52.165 51.665 0.500 19087 4620 1 9 . 1 1 71 71 LEU CB C 71 44.179 44.179 43.241 0.938 19087 4621 1 9 . 1 1 71 71 LEU H H 71 8.293 8.293 7.781 0.512 19087 4622 1 9 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.453 -0.093 19087 4623 1 9 . 1 1 72 72 PRO C C 72 176.922 176.922 176.366 0.556 19087 4624 1 9 . 1 1 72 72 PRO CA C 72 64.244 64.244 63.932 0.312 19087 4625 1 9 . 1 1 72 72 PRO CB C 72 32.466 32.466 32.097 0.369 19087 4626 1 9 . 1 1 73 73 ASP N N 73 115.106 115.106 116.527 -1.421 19087 4627 1 9 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.488 0.070 19087 4628 1 9 . 1 1 73 73 ASP C C 73 175.809 175.809 175.735 0.074 19087 4629 1 9 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.326 0.819 19087 4630 1 9 . 1 1 73 73 ASP CB C 73 40.778 40.778 40.364 0.414 19087 4631 1 9 . 1 1 73 73 ASP H H 73 8.431 8.431 8.310 0.121 19087 4632 1 9 . 1 1 74 74 VAL N N 74 122.218 122.218 115.218 7.000 19087 4633 1 9 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.238 -0.272 19087 4634 1 9 . 1 1 74 74 VAL C C 74 175.339 175.339 174.374 0.965 19087 4635 1 9 . 1 1 74 74 VAL CA C 74 63.871 63.871 61.385 2.486 19087 4636 1 9 . 1 1 74 74 VAL CB C 74 32.075 32.075 33.269 -1.194 19087 4637 1 9 . 1 1 74 74 VAL H H 74 7.468 7.468 7.160 0.308 19087 4638 1 9 . 1 1 75 75 ALA N N 75 128.630 128.630 127.555 1.075 19087 4639 1 9 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.376 0.049 19087 4640 1 9 . 1 1 75 75 ALA C C 75 176.404 176.404 176.514 -0.110 19087 4641 1 9 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.075 0.352 19087 4642 1 9 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.696 0.775 19087 4643 1 9 . 1 1 75 75 ALA H H 75 8.581 8.581 8.287 0.294 19087 4644 1 9 . 1 1 76 76 ALA N N 76 120.481 120.481 122.967 -2.486 19087 4645 1 9 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.544 0.113 19087 4646 1 9 . 1 1 76 76 ALA C C 76 175.925 175.925 177.270 -1.345 19087 4647 1 9 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.509 -0.514 19087 4648 1 9 . 1 1 76 76 ALA CB C 76 22.365 22.365 19.547 2.818 19087 4649 1 9 . 1 1 76 76 ALA H H 76 7.438 7.438 7.982 -0.544 19087 4650 1 9 . 1 1 77 77 THR N N 77 121.464 121.464 118.928 2.536 19087 4651 1 9 . 1 1 77 77 THR HA H 77 4.734 4.734 4.449 0.285 19087 4652 1 9 . 1 1 77 77 THR C C 77 174.143 174.143 174.109 0.034 19087 4653 1 9 . 1 1 77 77 THR CA C 77 63.914 63.914 62.316 1.598 19087 4654 1 9 . 1 1 77 77 THR CB C 77 70.070 70.070 68.211 1.859 19087 4655 1 9 . 1 1 77 77 THR H H 77 8.390 8.390 8.572 -0.182 19087 4656 1 9 . 1 1 78 78 THR N N 78 123.538 123.538 122.957 0.581 19087 4657 1 9 . 1 1 78 78 THR HA H 78 4.644 4.644 4.462 0.182 19087 4658 1 9 . 1 1 78 78 THR C C 78 181.684 181.684 172.056 9.628 19087 4659 1 9 . 1 1 78 78 THR CA C 78 62.511 62.511 61.283 1.228 19087 4660 1 9 . 1 1 78 78 THR CB C 78 72.846 72.846 72.578 0.268 19087 4661 1 9 . 1 1 78 78 THR H H 78 8.355 8.355 8.316 0.039 19087 4662 1 9 . 1 1 79 79 VAL N N 79 126.455 126.455 123.121 3.334 19087 4663 1 9 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.077 0.519 19087 4664 1 9 . 1 1 79 79 VAL C C 79 173.702 173.702 174.507 -0.805 19087 4665 1 9 . 1 1 79 79 VAL CA C 79 60.385 60.385 62.231 -1.846 19087 4666 1 9 . 1 1 79 79 VAL CB C 79 33.089 33.089 31.635 1.454 19087 4667 1 9 . 1 1 79 79 VAL H H 79 8.685 8.685 8.456 0.229 19087 4668 1 9 . 1 1 80 80 TYR N N 80 123.574 123.574 127.811 -4.237 19087 4669 1 9 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.589 0.811 19087 4670 1 9 . 1 1 80 80 TYR C C 80 176.410 176.410 175.373 1.037 19087 4671 1 9 . 1 1 80 80 TYR CA C 80 56.608 56.608 56.023 0.586 19087 4672 1 9 . 1 1 80 80 TYR CB C 80 42.567 42.567 40.065 2.502 19087 4673 1 9 . 1 1 80 80 TYR H H 80 9.702 9.702 8.743 0.959 19087 4674 1 9 . 1 1 81 81 TYR N N 81 117.754 117.754 117.719 0.035 19087 4675 1 9 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.313 0.161 19087 4676 1 9 . 1 1 81 81 TYR C C 81 173.237 173.237 174.388 -1.151 19087 4677 1 9 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.954 -0.456 19087 4678 1 9 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.592 1.657 19087 4679 1 9 . 1 1 81 81 TYR H H 81 8.221 8.221 8.299 -0.078 19087 4680 1 9 . 1 1 82 82 THR N N 82 111.056 111.056 111.533 -0.477 19087 4681 1 9 . 1 1 82 82 THR HA H 82 4.724 4.724 4.620 0.104 19087 4682 1 9 . 1 1 82 82 THR C C 82 174.521 174.521 175.085 -0.564 19087 4683 1 9 . 1 1 82 82 THR CA C 82 60.896 60.896 62.768 -1.872 19087 4684 1 9 . 1 1 82 82 THR CB C 82 71.506 71.506 70.503 1.003 19087 4685 1 9 . 1 1 82 82 THR H H 82 8.245 8.245 8.864 -0.619 19087 4686 1 9 . 1 1 83 83 GLU N N 83 117.058 117.058 119.322 -2.264 19087 4687 1 9 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.629 -0.152 19087 4688 1 9 . 1 1 83 83 GLU C C 83 176.152 176.152 177.277 -1.125 19087 4689 1 9 . 1 1 83 83 GLU CA C 83 57.179 57.179 56.287 0.892 19087 4690 1 9 . 1 1 83 83 GLU CB C 83 28.714 28.714 32.024 -3.310 19087 4691 1 9 . 1 1 83 83 GLU H H 83 8.772 8.772 8.236 0.536 19087 4692 1 9 . 1 1 84 84 VAL N N 84 123.039 123.039 124.314 -1.275 19087 4693 1 9 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.840 0.054 19087 4694 1 9 . 1 1 84 84 VAL C C 84 177.170 177.170 176.134 1.036 19087 4695 1 9 . 1 1 84 84 VAL CA C 84 63.678 63.678 64.493 -0.815 19087 4696 1 9 . 1 1 84 84 VAL CB C 84 32.474 32.474 31.030 1.444 19087 4697 1 9 . 1 1 84 84 VAL H H 84 7.818 7.818 8.157 -0.339 19087 4698 1 9 . 1 1 85 85 GLU N N 85 129.351 129.351 123.561 5.790 19087 4699 1 9 . 1 1 85 85 GLU HA H 85 3.892 3.892 4.010 -0.118 19087 4700 1 9 . 1 1 85 85 GLU CA C 85 59.005 59.005 57.100 1.905 19087 4701 1 9 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.113 1.411 19087 4702 1 9 . 1 1 85 85 GLU H H 85 8.796 8.796 9.056 -0.260 19087 4703 1 9 . 1 1 86 86 GLY C C 86 176.321 176.321 174.972 1.349 19087 4704 1 9 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.209 0.667 19087 4705 1 9 . 1 1 87 87 GLU N N 87 121.773 121.773 120.315 1.458 19087 4706 1 9 . 1 1 87 87 GLU HA H 87 3.948 3.948 3.865 0.083 19087 4707 1 9 . 1 1 87 87 GLU C C 87 178.276 178.276 178.047 0.229 19087 4708 1 9 . 1 1 87 87 GLU CA C 87 61.762 61.762 60.033 1.729 19087 4709 1 9 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.692 0.404 19087 4710 1 9 . 1 1 87 87 GLU H H 87 8.133 8.133 8.064 0.069 19087 4711 1 9 . 1 1 88 88 ARG N N 88 121.466 121.466 116.856 4.610 19087 4712 1 9 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.398 -0.036 19087 4713 1 9 . 1 1 88 88 ARG C C 88 177.229 177.229 177.678 -0.449 19087 4714 1 9 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.343 1.150 19087 4715 1 9 . 1 1 88 88 ARG CB C 88 29.059 29.059 28.798 0.261 19087 4716 1 9 . 1 1 88 88 ARG H H 88 9.132 9.132 8.456 0.676 19087 4717 1 9 . 1 1 89 89 ALA N N 89 119.527 119.527 122.333 -2.806 19087 4718 1 9 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.080 0.103 19087 4719 1 9 . 1 1 89 89 ALA C C 89 181.949 181.949 179.201 2.748 19087 4720 1 9 . 1 1 89 89 ALA CA C 89 55.282 55.282 55.082 0.200 19087 4721 1 9 . 1 1 89 89 ALA CB C 89 18.128 18.128 17.857 0.272 19087 4722 1 9 . 1 1 89 89 ALA H H 89 8.388 8.388 7.543 0.845 19087 4723 1 9 . 1 1 90 90 THR N N 90 115.279 115.279 112.630 2.649 19087 4724 1 9 . 1 1 90 90 THR HA H 90 4.146 4.146 4.145 0.001 19087 4725 1 9 . 1 1 90 90 THR C C 90 175.118 175.118 176.208 -1.090 19087 4726 1 9 . 1 1 90 90 THR CA C 90 66.607 66.607 63.981 2.626 19087 4727 1 9 . 1 1 90 90 THR CB C 90 68.971 68.971 68.564 0.407 19087 4728 1 9 . 1 1 90 90 THR H H 90 7.640 7.640 7.661 -0.021 19087 4729 1 9 . 1 1 91 91 ALA N N 91 124.784 124.784 123.554 1.230 19087 4730 1 9 . 1 1 91 91 ALA HA H 91 3.769 3.769 3.932 -0.163 19087 4731 1 9 . 1 1 91 91 ALA C C 91 178.546 178.546 178.739 -0.193 19087 4732 1 9 . 1 1 91 91 ALA CA C 91 55.552 55.552 55.219 0.333 19087 4733 1 9 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.159 1.094 19087 4734 1 9 . 1 1 91 91 ALA H H 91 9.095 9.095 8.176 0.919 19087 4735 1 9 . 1 1 92 92 ASP N N 92 118.310 118.310 119.562 -1.252 19087 4736 1 9 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.223 0.194 19087 4737 1 9 . 1 1 92 92 ASP C C 92 179.053 179.053 177.971 1.082 19087 4738 1 9 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.702 -0.060 19087 4739 1 9 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.746 -0.317 19087 4740 1 9 . 1 1 92 92 ASP H H 92 8.898 8.898 7.856 1.042 19087 4741 1 9 . 1 1 93 93 ALA N N 93 122.980 122.980 122.532 0.448 19087 4742 1 9 . 1 1 93 93 ALA HA H 93 4.274 4.274 3.928 0.346 19087 4743 1 9 . 1 1 93 93 ALA C C 93 180.933 180.933 179.716 1.217 19087 4744 1 9 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.088 0.487 19087 4745 1 9 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.446 -0.270 19087 4746 1 9 . 1 1 93 93 ALA H H 93 7.424 7.424 7.284 0.140 19087 4747 1 9 . 1 1 94 94 VAL N N 94 123.968 123.968 118.074 5.894 19087 4748 1 9 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.556 -0.612 19087 4749 1 9 . 1 1 94 94 VAL C C 94 178.269 178.269 178.207 0.062 19087 4750 1 9 . 1 1 94 94 VAL CA C 94 66.399 66.399 66.791 -0.392 19087 4751 1 9 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.425 -0.722 19087 4752 1 9 . 1 1 94 94 VAL H H 94 8.808 8.808 7.495 1.313 19087 4753 1 9 . 1 1 95 95 GLY N N 95 108.282 108.282 105.798 2.484 19087 4754 1 9 . 1 1 95 95 GLY C C 95 176.440 176.440 175.588 0.852 19087 4755 1 9 . 1 1 95 95 GLY CA C 95 47.919 47.919 46.915 1.004 19087 4756 1 9 . 1 1 95 95 GLY H H 95 9.355 9.355 8.177 1.178 19087 4757 1 9 . 1 1 96 96 ARG N N 96 120.852 120.852 120.439 0.413 19087 4758 1 9 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.177 0.026 19087 4759 1 9 . 1 1 96 96 ARG C C 96 179.101 179.101 178.143 0.958 19087 4760 1 9 . 1 1 96 96 ARG CA C 96 59.210 59.210 59.167 0.043 19087 4761 1 9 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.474 0.060 19087 4762 1 9 . 1 1 96 96 ARG H H 96 8.112 8.112 8.011 0.101 19087 4763 1 9 . 1 1 97 97 THR N N 97 117.170 117.170 115.366 1.804 19087 4764 1 9 . 1 1 97 97 THR HA H 97 3.986 3.986 4.106 -0.120 19087 4765 1 9 . 1 1 97 97 THR C C 97 175.451 175.451 175.925 -0.474 19087 4766 1 9 . 1 1 97 97 THR CA C 97 66.867 66.867 65.112 1.755 19087 4767 1 9 . 1 1 97 97 THR CB C 97 68.205 68.205 69.027 -0.822 19087 4768 1 9 . 1 1 97 97 THR H H 97 7.854 7.854 7.397 0.457 19087 4769 1 9 . 1 1 98 98 LEU N N 98 115.294 115.294 116.532 -1.238 19087 4770 1 9 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.662 -0.357 19087 4771 1 9 . 1 1 98 98 LEU C C 98 177.537 177.537 177.476 0.061 19087 4772 1 9 . 1 1 98 98 LEU CA C 98 54.583 54.583 54.473 0.110 19087 4773 1 9 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.284 1.089 19087 4774 1 9 . 1 1 98 98 LEU H H 98 7.855 7.855 7.550 0.305 19087 4775 1 9 . 1 1 99 99 GLY N N 99 111.931 111.931 107.543 4.388 19087 4776 1 9 . 1 1 99 99 GLY C C 99 173.997 173.997 174.269 -0.272 19087 4777 1 9 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.068 1.925 19087 4778 1 9 . 1 1 99 99 GLY H H 99 8.101 8.101 7.778 0.323 19087 4779 1 9 . 1 1 100 100 ALA N N 100 121.739 121.739 121.368 0.371 19087 4780 1 9 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.616 0.121 19087 4781 1 9 . 1 1 100 100 ALA C C 100 175.351 175.351 175.398 -0.047 19087 4782 1 9 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.563 -0.157 19087 4783 1 9 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.765 2.194 19087 4784 1 9 . 1 1 100 100 ALA H H 100 8.033 8.033 7.897 0.136 19087 4785 1 9 . 1 1 101 101 ALA N N 101 122.895 122.895 121.781 1.114 19087 4786 1 9 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.636 -0.427 19087 4787 1 9 . 1 1 101 101 ALA C C 101 175.179 175.179 175.974 -0.795 19087 4788 1 9 . 1 1 101 101 ALA CA C 101 52.737 52.737 51.670 1.067 19087 4789 1 9 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.675 0.139 19087 4790 1 9 . 1 1 101 101 ALA H H 101 7.782 7.782 8.644 -0.862 19087 4791 1 9 . 1 1 102 102 VAL N N 102 120.035 120.035 117.272 2.763 19087 4792 1 9 . 1 1 102 102 VAL HA H 102 5.054 5.054 5.141 -0.087 19087 4793 1 9 . 1 1 102 102 VAL C C 102 176.587 176.587 175.162 1.425 19087 4794 1 9 . 1 1 102 102 VAL CA C 102 60.988 60.988 59.667 1.321 19087 4795 1 9 . 1 1 102 102 VAL CB C 102 33.725 33.725 33.356 0.369 19087 4796 1 9 . 1 1 102 102 VAL H H 102 7.872 7.872 8.232 -0.360 19087 4797 1 9 . 1 1 103 103 GLU N N 103 126.469 126.469 126.420 0.049 19087 4798 1 9 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.606 0.273 19087 4799 1 9 . 1 1 103 103 GLU C C 103 174.343 174.343 174.570 -0.227 19087 4800 1 9 . 1 1 103 103 GLU CA C 103 54.351 54.351 53.381 0.970 19087 4801 1 9 . 1 1 103 103 GLU CB C 103 35.595 35.595 34.160 1.435 19087 4802 1 9 . 1 1 103 103 GLU H H 103 9.215 9.215 8.662 0.553 19087 4803 1 9 . 1 1 104 104 LEU N N 104 123.109 123.109 119.963 3.146 19087 4804 1 9 . 1 1 104 104 LEU HA H 104 3.591 3.591 4.440 -0.849 19087 4805 1 9 . 1 1 104 104 LEU C C 104 178.379 178.379 177.851 0.528 19087 4806 1 9 . 1 1 104 104 LEU CA C 104 54.920 54.920 54.610 0.310 19087 4807 1 9 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.443 0.467 19087 4808 1 9 . 1 1 104 104 LEU H H 104 8.273 8.273 8.336 -0.063 19087 4809 1 9 . 1 1 105 105 ARG N N 105 119.790 119.790 120.831 -1.041 19087 4810 1 9 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.427 -0.166 19087 4811 1 9 . 1 1 105 105 ARG C C 105 177.043 177.043 176.671 0.372 19087 4812 1 9 . 1 1 105 105 ARG CA C 105 59.310 59.310 56.259 3.051 19087 4813 1 9 . 1 1 105 105 ARG CB C 105 32.077 32.077 29.840 2.237 19087 4814 1 9 . 1 1 105 105 ARG H H 105 8.300 8.300 8.487 -0.187 19087 4815 1 9 . 1 1 106 106 LEU N N 106 122.431 122.431 118.930 3.501 19087 4816 1 9 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.338 0.060 19087 4817 1 9 . 1 1 106 106 LEU CA C 106 54.701 54.701 57.390 -2.689 19087 4818 1 9 . 1 1 106 106 LEU CB C 106 42.469 42.469 39.269 3.200 19087 4819 1 9 . 1 1 106 106 LEU H H 106 8.026 8.026 8.038 -0.012 19087 4820 1 9 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.272 -0.033 19087 4821 1 9 . 1 1 107 107 PRO C C 107 179.627 179.627 178.010 1.617 19087 4822 1 9 . 1 1 107 107 PRO CA C 107 65.898 65.898 64.756 1.142 19087 4823 1 9 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.803 -0.284 19087 4824 1 9 . 1 1 108 108 GLU N N 108 116.744 116.744 117.379 -0.635 19087 4825 1 9 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.168 -0.070 19087 4826 1 9 . 1 1 108 108 GLU C C 108 176.957 176.957 178.480 -1.523 19087 4827 1 9 . 1 1 108 108 GLU CA C 108 59.584 59.584 58.128 1.456 19087 4828 1 9 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.128 1.029 19087 4829 1 9 . 1 1 108 108 GLU H H 108 9.605 9.605 8.441 1.164 19087 4830 1 9 . 1 1 109 109 LEU N N 109 116.575 116.575 120.209 -3.634 19087 4831 1 9 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.127 0.403 19087 4832 1 9 . 1 1 109 109 LEU C C 109 177.894 177.894 177.345 0.549 19087 4833 1 9 . 1 1 109 109 LEU CA C 109 53.489 53.489 56.707 -3.218 19087 4834 1 9 . 1 1 109 109 LEU CB C 109 42.241 42.241 41.841 0.400 19087 4835 1 9 . 1 1 109 109 LEU H H 109 7.630 7.630 7.621 0.009 19087 4836 1 9 . 1 1 110 110 SER N N 110 117.031 117.031 115.189 1.842 19087 4837 1 9 . 1 1 110 110 SER HA H 110 3.943 3.943 4.119 -0.176 19087 4838 1 9 . 1 1 110 110 SER C C 110 174.273 174.273 175.436 -1.163 19087 4839 1 9 . 1 1 110 110 SER CA C 110 59.543 59.543 61.443 -1.900 19087 4840 1 9 . 1 1 110 110 SER CB C 110 63.609 63.609 63.255 0.354 19087 4841 1 9 . 1 1 110 110 SER H H 110 7.757 7.757 7.731 0.026 19087 4842 1 9 . 1 1 111 111 ASP N N 111 117.804 117.804 120.235 -2.431 19087 4843 1 9 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.555 0.027 19087 4844 1 9 . 1 1 111 111 ASP C C 111 176.760 176.760 175.645 1.115 19087 4845 1 9 . 1 1 111 111 ASP CA C 111 53.976 53.976 54.498 -0.522 19087 4846 1 9 . 1 1 111 111 ASP CB C 111 40.183 40.183 41.556 -1.373 19087 4847 1 9 . 1 1 111 111 ASP H H 111 8.315 8.315 8.038 0.277 19087 4848 1 9 . 1 1 112 112 GLN N N 112 119.300 119.300 118.193 1.107 19087 4849 1 9 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.172 0.128 19087 4850 1 9 . 1 1 112 112 GLN CA C 112 55.014 55.014 55.914 -0.900 19087 4851 1 9 . 1 1 112 112 GLN CB C 112 26.568 26.568 27.456 -0.888 19087 4852 1 9 . 1 1 112 112 GLN H H 112 7.212 7.212 7.723 -0.511 19087 4853 1 9 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.323 0.204 19087 4854 1 9 . 1 1 114 114 PRO C C 114 175.464 175.464 177.308 -1.844 19087 4855 1 9 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.148 0.921 19087 4856 1 9 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.006 0.441 19087 4857 1 9 . 1 1 115 115 GLY N N 115 113.817 113.817 108.083 5.734 19087 4858 1 9 . 1 1 115 115 GLY C C 115 173.552 173.552 173.109 0.443 19087 4859 1 9 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.780 -0.827 19087 4860 1 9 . 1 1 115 115 GLY H H 115 8.443 8.443 8.302 0.141 19087 4861 1 9 . 1 1 116 116 VAL N N 116 122.049 122.049 120.881 1.168 19087 4862 1 9 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.438 -0.307 19087 4863 1 9 . 1 1 116 116 VAL C C 116 174.533 174.533 175.275 -0.742 19087 4864 1 9 . 1 1 116 116 VAL CA C 116 63.916 63.916 62.160 1.756 19087 4865 1 9 . 1 1 116 116 VAL CB C 116 32.342 32.342 33.312 -0.970 19087 4866 1 9 . 1 1 116 116 VAL H H 116 8.957 8.957 7.774 1.183 19087 4867 1 9 . 1 1 117 117 ILE N N 117 126.102 126.102 124.485 1.617 19087 4868 1 9 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.192 -0.253 19087 4869 1 9 . 1 1 117 117 ILE C C 117 174.181 174.181 174.469 -0.288 19087 4870 1 9 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.442 1.627 19087 4871 1 9 . 1 1 117 117 ILE CB C 117 42.368 42.368 41.156 1.212 19087 4872 1 9 . 1 1 117 117 ILE H H 117 7.863 7.863 8.700 -0.837 19087 4873 1 9 . 1 1 118 118 VAL N N 118 127.665 127.665 123.780 3.885 19087 4874 1 9 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.342 0.582 19087 4875 1 9 . 1 1 118 118 VAL C C 118 175.224 175.224 174.960 0.264 19087 4876 1 9 . 1 1 118 118 VAL CA C 118 60.580 60.580 61.352 -0.772 19087 4877 1 9 . 1 1 118 118 VAL CB C 118 33.945 33.945 32.512 1.433 19087 4878 1 9 . 1 1 118 118 VAL H H 118 9.348 9.348 8.372 0.976 19087 4879 1 9 . 1 1 119 119 VAL N N 119 121.828 121.828 129.953 -8.125 19087 4880 1 9 . 1 1 119 119 VAL HA H 119 5.563 5.563 5.015 0.548 19087 4881 1 9 . 1 1 119 119 VAL C C 119 174.425 174.425 175.125 -0.700 19087 4882 1 9 . 1 1 119 119 VAL CA C 119 58.691 58.691 61.764 -3.073 19087 4883 1 9 . 1 1 119 119 VAL CB C 119 32.886 32.886 32.982 -0.096 19087 4884 1 9 . 1 1 119 119 VAL H H 119 9.096 9.096 8.666 0.430 19087 4885 1 9 . 1 1 120 120 VAL N N 120 120.260 120.260 128.043 -7.783 19087 4886 1 9 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.472 0.346 19087 4887 1 9 . 1 1 120 120 VAL C C 120 175.649 175.649 175.197 0.452 19087 4888 1 9 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.400 0.231 19087 4889 1 9 . 1 1 120 120 VAL CB C 120 34.550 34.550 34.735 -0.185 19087 4890 1 9 . 1 1 120 120 VAL H H 120 8.809 8.809 8.504 0.305 19087 4891 1 9 . 1 1 121 121 THR N N 121 114.564 114.564 121.174 -6.610 19087 4892 1 9 . 1 1 121 121 THR HA H 121 4.428 4.428 4.884 -0.456 19087 4893 1 9 . 1 1 121 121 THR C C 121 173.833 173.833 174.779 -0.946 19087 4894 1 9 . 1 1 121 121 THR CA C 121 60.834 60.834 59.385 1.449 19087 4895 1 9 . 1 1 121 121 THR CB C 121 69.413 69.413 70.701 -1.288 19087 4896 1 9 . 1 1 121 121 THR H H 121 7.859 7.859 8.423 -0.564 19087 4897 1 10 . 1 1 6 6 SER C C 6 174.665 174.665 174.148 0.517 19087 4898 1 10 . 1 1 6 6 SER CA C 6 58.745 58.745 58.638 0.107 19087 4899 1 10 . 1 1 6 6 SER CB C 6 63.870 63.870 63.451 0.419 19087 4900 1 10 . 1 1 7 7 GLU N N 7 122.278 122.278 120.970 1.308 19087 4901 1 10 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.229 0.499 19087 4902 1 10 . 1 1 7 7 GLU C C 7 176.279 176.279 177.122 -0.843 19087 4903 1 10 . 1 1 7 7 GLU CA C 7 56.894 56.894 57.309 -0.415 19087 4904 1 10 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.890 0.320 19087 4905 1 10 . 1 1 7 7 GLU H H 7 8.475 8.475 8.324 0.151 19087 4906 1 10 . 1 1 8 8 ASP N N 8 120.753 120.753 121.891 -1.138 19087 4907 1 10 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.431 0.278 19087 4908 1 10 . 1 1 8 8 ASP C C 8 176.070 176.070 176.005 0.065 19087 4909 1 10 . 1 1 8 8 ASP CA C 8 54.366 54.366 54.880 -0.514 19087 4910 1 10 . 1 1 8 8 ASP CB C 8 41.459 41.459 41.168 0.291 19087 4911 1 10 . 1 1 8 8 ASP H H 8 8.206 8.206 8.127 0.079 19087 4912 1 10 . 1 1 9 9 ASP N N 9 121.430 121.430 119.243 2.187 19087 4913 1 10 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.390 0.313 19087 4914 1 10 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.321 0.123 19087 4915 1 10 . 1 1 9 9 ASP CB C 9 41.220 41.220 40.946 0.274 19087 4916 1 10 . 1 1 9 9 ASP H H 9 8.256 8.256 8.364 -0.108 19087 4917 1 10 . 1 1 11 11 SER C C 11 174.517 174.517 173.109 1.408 19087 4918 1 10 . 1 1 11 11 SER CA C 11 59.364 59.364 58.491 0.873 19087 4919 1 10 . 1 1 11 11 SER CB C 11 63.989 63.989 64.945 -0.957 19087 4920 1 10 . 1 1 12 12 ALA N N 12 125.500 125.500 128.646 -3.146 19087 4921 1 10 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.721 -0.365 19087 4922 1 10 . 1 1 12 12 ALA C C 12 177.811 177.811 175.902 1.909 19087 4923 1 10 . 1 1 12 12 ALA CA C 12 52.815 52.815 52.174 0.641 19087 4924 1 10 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.248 -1.044 19087 4925 1 10 . 1 1 12 12 ALA H H 12 8.087 8.087 8.454 -0.367 19087 4926 1 10 . 1 1 13 13 ILE N N 13 119.045 119.045 121.651 -2.606 19087 4927 1 10 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.704 -0.511 19087 4928 1 10 . 1 1 13 13 ILE CA C 13 61.163 61.163 60.671 0.492 19087 4929 1 10 . 1 1 13 13 ILE CB C 13 38.721 38.721 40.522 -1.801 19087 4930 1 10 . 1 1 13 13 ILE H H 13 7.938 7.938 9.059 -1.121 19087 4931 1 10 . 1 1 14 14 SER N N 14 119.662 119.662 123.188 -3.526 19087 4932 1 10 . 1 1 14 14 SER H H 14 8.339 8.339 8.602 -0.263 19087 4933 1 10 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.466 -0.180 19087 4934 1 10 . 1 1 21 21 ALA C C 21 177.013 177.013 175.636 1.377 19087 4935 1 10 . 1 1 21 21 ALA CA C 21 51.585 51.585 52.197 -0.612 19087 4936 1 10 . 1 1 21 21 ALA CB C 21 19.339 19.339 19.836 -0.497 19087 4937 1 10 . 1 1 22 22 ALA N N 22 124.579 124.579 125.933 -1.354 19087 4938 1 10 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.605 0.120 19087 4939 1 10 . 1 1 22 22 ALA CA C 22 50.310 50.310 51.066 -0.756 19087 4940 1 10 . 1 1 22 22 ALA CB C 22 18.232 18.232 19.144 -0.912 19087 4941 1 10 . 1 1 22 22 ALA H H 22 8.182 8.182 8.331 -0.149 19087 4942 1 10 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.427 -0.292 19087 4943 1 10 . 1 1 28 28 VAL C C 28 175.779 175.779 174.317 1.462 19087 4944 1 10 . 1 1 28 28 VAL CA C 28 62.167 62.167 62.547 -0.380 19087 4945 1 10 . 1 1 28 28 VAL CB C 28 32.681 32.681 32.895 -0.214 19087 4946 1 10 . 1 1 29 29 LYS N N 29 126.858 126.858 128.459 -1.601 19087 4947 1 10 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.690 0.022 19087 4948 1 10 . 1 1 29 29 LYS CA C 29 54.135 54.135 53.739 0.396 19087 4949 1 10 . 1 1 29 29 LYS CB C 29 32.646 32.646 33.349 -0.703 19087 4950 1 10 . 1 1 29 29 LYS H H 29 8.346 8.346 8.422 -0.076 19087 4951 1 10 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.399 0.003 19087 4952 1 10 . 1 1 30 30 PRO C C 30 176.435 176.435 176.084 0.351 19087 4953 1 10 . 1 1 30 30 PRO CA C 30 62.776 62.776 63.210 -0.434 19087 4954 1 10 . 1 1 30 30 PRO CB C 30 32.154 32.154 31.867 0.287 19087 4955 1 10 . 1 1 31 31 ALA N N 31 124.680 124.680 125.064 -0.384 19087 4956 1 10 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.397 -0.050 19087 4957 1 10 . 1 1 31 31 ALA C C 31 176.860 176.860 175.591 1.269 19087 4958 1 10 . 1 1 31 31 ALA CA C 31 52.316 52.316 52.695 -0.379 19087 4959 1 10 . 1 1 31 31 ALA CB C 31 19.398 19.398 20.278 -0.880 19087 4960 1 10 . 1 1 31 31 ALA H H 31 8.324 8.324 8.174 0.150 19087 4961 1 10 . 1 1 32 32 ALA N N 32 125.011 125.011 125.151 -0.140 19087 4962 1 10 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.515 0.221 19087 4963 1 10 . 1 1 32 32 ALA CA C 32 50.487 50.487 51.886 -1.399 19087 4964 1 10 . 1 1 32 32 ALA CB C 32 18.203 18.203 19.683 -1.480 19087 4965 1 10 . 1 1 32 32 ALA H H 32 8.246 8.246 8.414 -0.168 19087 4966 1 10 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.594 -0.128 19087 4967 1 10 . 1 1 33 33 PRO C C 33 176.834 176.834 175.903 0.931 19087 4968 1 10 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.671 0.154 19087 4969 1 10 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.343 -0.348 19087 4970 1 10 . 1 1 34 34 ARG N N 34 121.170 121.170 124.704 -3.534 19087 4971 1 10 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.312 0.074 19087 4972 1 10 . 1 1 34 34 ARG C C 34 175.853 175.853 175.007 0.846 19087 4973 1 10 . 1 1 34 34 ARG CA C 34 55.912 55.912 55.115 0.797 19087 4974 1 10 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.438 0.234 19087 4975 1 10 . 1 1 34 34 ARG H H 34 8.349 8.349 8.050 0.299 19087 4976 1 10 . 1 1 35 35 ALA N N 35 124.878 124.878 119.411 5.467 19087 4977 1 10 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.617 -0.005 19087 4978 1 10 . 1 1 35 35 ALA C C 35 176.170 176.170 175.495 0.675 19087 4979 1 10 . 1 1 35 35 ALA CA C 35 51.566 51.566 50.605 0.961 19087 4980 1 10 . 1 1 35 35 ALA CB C 35 20.722 20.722 21.557 -0.835 19087 4981 1 10 . 1 1 35 35 ALA H H 35 8.008 8.008 7.734 0.274 19087 4982 1 10 . 1 1 36 36 GLU N N 36 119.776 119.776 120.424 -0.648 19087 4983 1 10 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.697 -0.266 19087 4984 1 10 . 1 1 36 36 GLU C C 36 174.618 174.618 175.439 -0.821 19087 4985 1 10 . 1 1 36 36 GLU CA C 36 56.472 56.472 55.961 0.511 19087 4986 1 10 . 1 1 36 36 GLU CB C 36 31.124 31.124 29.745 1.379 19087 4987 1 10 . 1 1 36 36 GLU H H 36 8.495 8.495 8.725 -0.230 19087 4988 1 10 . 1 1 37 37 VAL N N 37 119.808 119.808 124.687 -4.879 19087 4989 1 10 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.503 0.399 19087 4990 1 10 . 1 1 37 37 VAL C C 37 174.285 174.285 174.616 -0.331 19087 4991 1 10 . 1 1 37 37 VAL CA C 37 60.639 60.639 61.146 -0.507 19087 4992 1 10 . 1 1 37 37 VAL CB C 37 34.612 34.612 33.480 1.132 19087 4993 1 10 . 1 1 37 37 VAL H H 37 8.494 8.494 8.489 0.005 19087 4994 1 10 . 1 1 38 38 ARG N N 38 124.534 124.534 125.174 -0.640 19087 4995 1 10 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.239 -0.313 19087 4996 1 10 . 1 1 38 38 ARG C C 38 174.239 174.239 173.899 0.340 19087 4997 1 10 . 1 1 38 38 ARG CA C 38 55.092 55.092 53.616 1.476 19087 4998 1 10 . 1 1 38 38 ARG CB C 38 34.190 34.190 32.911 1.279 19087 4999 1 10 . 1 1 38 38 ARG H H 38 8.652 8.652 9.129 -0.477 19087 5000 1 10 . 1 1 39 39 VAL N N 39 121.231 121.231 124.282 -3.051 19087 5001 1 10 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.338 0.460 19087 5002 1 10 . 1 1 39 39 VAL C C 39 173.357 173.357 173.911 -0.554 19087 5003 1 10 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.282 -0.644 19087 5004 1 10 . 1 1 39 39 VAL CB C 39 34.294 34.294 33.295 0.999 19087 5005 1 10 . 1 1 39 39 VAL H H 39 7.934 7.934 8.278 -0.344 19087 5006 1 10 . 1 1 40 40 TYR N N 40 122.262 122.262 125.951 -3.689 19087 5007 1 10 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.221 -0.067 19087 5008 1 10 . 1 1 40 40 TYR C C 40 175.124 175.124 175.075 0.049 19087 5009 1 10 . 1 1 40 40 TYR CA C 40 55.540 55.540 55.209 0.331 19087 5010 1 10 . 1 1 40 40 TYR CB C 40 42.223 42.223 41.314 0.909 19087 5011 1 10 . 1 1 40 40 TYR H H 40 9.343 9.343 8.964 0.379 19087 5012 1 10 . 1 1 41 41 ASN N N 41 121.684 121.684 122.540 -0.856 19087 5013 1 10 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.110 -0.078 19087 5014 1 10 . 1 1 41 41 ASN C C 41 176.301 176.301 175.489 0.812 19087 5015 1 10 . 1 1 41 41 ASN CA C 41 52.635 52.635 52.997 -0.362 19087 5016 1 10 . 1 1 41 41 ASN CB C 41 39.836 39.836 38.368 1.468 19087 5017 1 10 . 1 1 41 41 ASN H H 41 9.287 9.287 8.760 0.527 19087 5018 1 10 . 1 1 42 42 ILE N N 42 119.462 119.462 125.385 -5.923 19087 5019 1 10 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.206 1.244 19087 5020 1 10 . 1 1 42 42 ILE C C 42 176.450 176.450 176.233 0.217 19087 5021 1 10 . 1 1 42 42 ILE CA C 42 60.513 60.513 62.509 -1.996 19087 5022 1 10 . 1 1 42 42 ILE CB C 42 38.597 38.597 39.127 -0.530 19087 5023 1 10 . 1 1 42 42 ILE H H 42 8.541 8.541 8.170 0.371 19087 5024 1 10 . 1 1 43 43 SER N N 43 118.212 118.212 112.775 5.437 19087 5025 1 10 . 1 1 43 43 SER HA H 43 4.729 4.729 4.590 0.139 19087 5026 1 10 . 1 1 43 43 SER CA C 43 58.598 58.598 57.906 0.692 19087 5027 1 10 . 1 1 43 43 SER CB C 43 66.262 66.262 64.314 1.948 19087 5028 1 10 . 1 1 43 43 SER H H 43 8.142 8.142 7.536 0.606 19087 5029 1 10 . 1 1 44 44 GLY C C 44 174.414 174.414 172.646 1.768 19087 5030 1 10 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.124 0.255 19087 5031 1 10 . 1 1 45 45 THR N N 45 116.371 116.371 114.960 1.411 19087 5032 1 10 . 1 1 45 45 THR HA H 45 4.384 4.384 4.548 -0.164 19087 5033 1 10 . 1 1 45 45 THR CA C 45 61.814 61.814 61.112 0.702 19087 5034 1 10 . 1 1 45 45 THR CB C 45 69.787 69.787 70.964 -1.177 19087 5035 1 10 . 1 1 45 45 THR H H 45 8.298 8.298 8.195 0.103 19087 5036 1 10 . 1 1 47 47 GLY C C 47 175.691 175.691 175.026 0.665 19087 5037 1 10 . 1 1 47 47 GLY CA C 47 46.191 46.191 46.256 -0.065 19087 5038 1 10 . 1 1 48 48 ALA N N 48 121.957 121.957 123.295 -1.338 19087 5039 1 10 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.129 -0.100 19087 5040 1 10 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.013 1.389 19087 5041 1 10 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.136 0.356 19087 5042 1 10 . 1 1 48 48 ALA H H 48 7.511 7.511 7.771 -0.260 19087 5043 1 10 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.934 0.050 19087 5044 1 10 . 1 1 49 49 ALA C C 49 178.073 178.073 178.715 -0.642 19087 5045 1 10 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.763 0.098 19087 5046 1 10 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.811 -0.122 19087 5047 1 10 . 1 1 50 50 ALA N N 50 122.654 122.654 120.246 2.408 19087 5048 1 10 . 1 1 50 50 ALA HA H 50 3.989 3.989 3.958 0.031 19087 5049 1 10 . 1 1 50 50 ALA C C 50 179.642 179.642 179.076 0.566 19087 5050 1 10 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.475 1.376 19087 5051 1 10 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.290 -0.502 19087 5052 1 10 . 1 1 50 50 ALA H H 50 7.965 7.965 8.081 -0.116 19087 5053 1 10 . 1 1 51 51 ARG N N 51 116.659 116.659 118.029 -1.370 19087 5054 1 10 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.113 0.078 19087 5055 1 10 . 1 1 51 51 ARG C C 51 179.931 179.931 178.241 1.690 19087 5056 1 10 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.323 1.189 19087 5057 1 10 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.654 0.808 19087 5058 1 10 . 1 1 51 51 ARG H H 51 7.982 7.982 7.934 0.048 19087 5059 1 10 . 1 1 52 52 THR N N 52 117.745 117.745 113.556 4.189 19087 5060 1 10 . 1 1 52 52 THR HA H 52 4.162 4.162 4.031 0.131 19087 5061 1 10 . 1 1 52 52 THR C C 52 175.626 175.626 175.955 -0.329 19087 5062 1 10 . 1 1 52 52 THR CA C 52 68.565 68.565 66.154 2.411 19087 5063 1 10 . 1 1 52 52 THR CB C 52 70.787 70.787 68.212 2.575 19087 5064 1 10 . 1 1 52 52 THR H H 52 7.661 7.661 7.497 0.164 19087 5065 1 10 . 1 1 53 53 ALA N N 53 123.939 123.939 124.125 -0.186 19087 5066 1 10 . 1 1 53 53 ALA HA H 53 3.886 3.886 3.907 -0.021 19087 5067 1 10 . 1 1 53 53 ALA C C 53 179.013 179.013 179.350 -0.337 19087 5068 1 10 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.941 1.256 19087 5069 1 10 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.144 0.573 19087 5070 1 10 . 1 1 53 53 ALA H H 53 8.805 8.805 7.910 0.895 19087 5071 1 10 . 1 1 54 54 ASP N N 54 118.351 118.351 117.759 0.592 19087 5072 1 10 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.353 0.079 19087 5073 1 10 . 1 1 54 54 ASP C C 54 179.376 179.376 178.086 1.290 19087 5074 1 10 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.094 0.913 19087 5075 1 10 . 1 1 54 54 ASP CB C 54 40.242 40.242 41.007 -0.764 19087 5076 1 10 . 1 1 54 54 ASP H H 54 8.327 8.327 7.929 0.398 19087 5077 1 10 . 1 1 55 55 ARG N N 55 121.120 121.120 119.715 1.405 19087 5078 1 10 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.176 -0.001 19087 5079 1 10 . 1 1 55 55 ARG C C 55 179.550 179.550 178.770 0.780 19087 5080 1 10 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.235 1.050 19087 5081 1 10 . 1 1 55 55 ARG CB C 55 30.320 30.320 29.762 0.558 19087 5082 1 10 . 1 1 55 55 ARG H H 55 7.723 7.723 7.634 0.089 19087 5083 1 10 . 1 1 56 56 LEU N N 56 118.659 118.659 120.133 -1.474 19087 5084 1 10 . 1 1 56 56 LEU HA H 56 4.332 4.332 3.796 0.536 19087 5085 1 10 . 1 1 56 56 LEU C C 56 179.305 179.305 178.416 0.889 19087 5086 1 10 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.537 -0.100 19087 5087 1 10 . 1 1 56 56 LEU CB C 56 41.287 41.287 40.879 0.408 19087 5088 1 10 . 1 1 56 56 LEU H H 56 8.215 8.215 7.907 0.308 19087 5089 1 10 . 1 1 57 57 LYS N N 57 122.713 122.713 120.844 1.869 19087 5090 1 10 . 1 1 57 57 LYS HA H 57 4.513 4.513 4.041 0.472 19087 5091 1 10 . 1 1 57 57 LYS C C 57 181.436 181.436 179.252 2.184 19087 5092 1 10 . 1 1 57 57 LYS CA C 57 60.004 60.004 59.082 0.922 19087 5093 1 10 . 1 1 57 57 LYS CB C 57 32.437 32.437 31.916 0.521 19087 5094 1 10 . 1 1 57 57 LYS H H 57 8.914 8.914 7.738 1.176 19087 5095 1 10 . 1 1 58 58 ALA N N 58 122.423 122.423 120.654 1.769 19087 5096 1 10 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.274 -0.064 19087 5097 1 10 . 1 1 58 58 ALA C C 58 178.516 178.516 178.653 -0.137 19087 5098 1 10 . 1 1 58 58 ALA CA C 58 55.069 55.069 54.163 0.906 19087 5099 1 10 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.511 -0.602 19087 5100 1 10 . 1 1 58 58 ALA H H 58 8.026 8.026 7.589 0.437 19087 5101 1 10 . 1 1 59 59 ALA N N 59 118.347 118.347 119.124 -0.777 19087 5102 1 10 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.367 0.119 19087 5103 1 10 . 1 1 59 59 ALA C C 59 176.797 176.797 177.190 -0.393 19087 5104 1 10 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.042 -0.284 19087 5105 1 10 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.383 -0.014 19087 5106 1 10 . 1 1 59 59 ALA H H 59 7.413 7.413 7.549 -0.136 19087 5107 1 10 . 1 1 60 60 GLY N N 60 104.918 104.918 105.051 -0.133 19087 5108 1 10 . 1 1 60 60 GLY C C 60 174.741 174.741 174.440 0.301 19087 5109 1 10 . 1 1 60 60 GLY CA C 60 45.236 45.236 45.076 0.160 19087 5110 1 10 . 1 1 60 60 GLY H H 60 7.694 7.694 7.638 0.056 19087 5111 1 10 . 1 1 61 61 PHE N N 61 118.862 118.862 119.485 -0.623 19087 5112 1 10 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.769 -0.274 19087 5113 1 10 . 1 1 61 61 PHE C C 61 175.204 175.204 177.031 -1.827 19087 5114 1 10 . 1 1 61 61 PHE CA C 61 58.483 58.483 57.059 1.424 19087 5115 1 10 . 1 1 61 61 PHE CB C 61 39.163 39.163 39.775 -0.612 19087 5116 1 10 . 1 1 61 61 PHE H H 61 7.879 7.879 8.213 -0.334 19087 5117 1 10 . 1 1 62 62 THR N N 62 121.319 121.319 117.587 3.732 19087 5118 1 10 . 1 1 62 62 THR HA H 62 4.303 4.303 4.200 0.103 19087 5119 1 10 . 1 1 62 62 THR C C 62 173.073 173.073 174.867 -1.794 19087 5120 1 10 . 1 1 62 62 THR CA C 62 69.389 69.389 65.800 3.589 19087 5121 1 10 . 1 1 62 62 THR CB C 62 62.478 62.478 69.283 -6.805 19087 5122 1 10 . 1 1 62 62 THR H H 62 9.493 9.493 8.407 1.086 19087 5123 1 10 . 1 1 63 63 VAL N N 63 128.406 128.406 122.362 6.044 19087 5124 1 10 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.321 0.339 19087 5125 1 10 . 1 1 63 63 VAL C C 63 177.267 177.267 174.132 3.135 19087 5126 1 10 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.525 -1.426 19087 5127 1 10 . 1 1 63 63 VAL CB C 63 32.572 32.572 33.148 -0.576 19087 5128 1 10 . 1 1 63 63 VAL H H 63 8.293 8.293 7.543 0.750 19087 5129 1 10 . 1 1 64 64 THR N N 64 118.495 118.495 118.773 -0.278 19087 5130 1 10 . 1 1 64 64 THR HA H 64 4.350 4.350 5.137 -0.787 19087 5131 1 10 . 1 1 64 64 THR CA C 64 62.182 62.182 59.912 2.270 19087 5132 1 10 . 1 1 64 64 THR CB C 64 69.143 69.143 69.051 0.092 19087 5133 1 10 . 1 1 64 64 THR H H 64 8.770 8.770 8.394 0.376 19087 5134 1 10 . 1 1 65 65 ASP HA H 65 4.301 4.301 5.007 -0.706 19087 5135 1 10 . 1 1 65 65 ASP C C 65 173.778 173.778 174.352 -0.574 19087 5136 1 10 . 1 1 65 65 ASP CA C 65 54.287 54.287 52.274 2.013 19087 5137 1 10 . 1 1 65 65 ASP CB C 65 44.018 44.018 44.249 -0.231 19087 5138 1 10 . 1 1 66 66 VAL N N 66 121.705 121.705 121.213 0.492 19087 5139 1 10 . 1 1 66 66 VAL HA H 66 4.863 4.863 5.124 -0.261 19087 5140 1 10 . 1 1 66 66 VAL C C 66 176.234 176.234 174.325 1.909 19087 5141 1 10 . 1 1 66 66 VAL CA C 66 60.597 60.597 59.932 0.665 19087 5142 1 10 . 1 1 66 66 VAL CB C 66 34.120 34.120 34.867 -0.747 19087 5143 1 10 . 1 1 66 66 VAL H H 66 7.849 7.849 8.271 -0.422 19087 5144 1 10 . 1 1 67 67 GLY N N 67 112.050 112.050 113.102 -1.052 19087 5145 1 10 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.527 0.091 19087 5146 1 10 . 1 1 67 67 GLY H H 67 8.151 8.151 8.686 -0.535 19087 5147 1 10 . 1 1 68 68 ASN C C 68 173.771 173.771 173.945 -0.174 19087 5148 1 10 . 1 1 68 68 ASN CA C 68 53.062 53.062 52.297 0.765 19087 5149 1 10 . 1 1 68 68 ASN CB C 68 39.832 39.832 41.214 -1.382 19087 5150 1 10 . 1 1 69 69 LEU N N 69 121.003 121.003 120.225 0.778 19087 5151 1 10 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.596 -0.059 19087 5152 1 10 . 1 1 69 69 LEU C C 69 174.751 174.751 175.492 -0.741 19087 5153 1 10 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.199 -0.274 19087 5154 1 10 . 1 1 69 69 LEU CB C 69 47.313 47.313 46.347 0.966 19087 5155 1 10 . 1 1 69 69 LEU H H 69 8.276 8.276 8.294 -0.018 19087 5156 1 10 . 1 1 70 70 SER N N 70 116.269 116.269 121.202 -4.933 19087 5157 1 10 . 1 1 70 70 SER C C 70 173.777 173.777 175.004 -1.227 19087 5158 1 10 . 1 1 70 70 SER CA C 70 56.923 56.923 57.561 -0.638 19087 5159 1 10 . 1 1 70 70 SER CB C 70 63.219 63.219 63.898 -0.679 19087 5160 1 10 . 1 1 70 70 SER H H 70 8.122 8.122 8.197 -0.075 19087 5161 1 10 . 1 1 71 71 LEU N N 71 127.999 127.999 127.785 0.214 19087 5162 1 10 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.237 0.519 19087 5163 1 10 . 1 1 71 71 LEU CA C 71 52.165 52.165 54.781 -2.616 19087 5164 1 10 . 1 1 71 71 LEU CB C 71 44.179 44.179 41.301 2.878 19087 5165 1 10 . 1 1 71 71 LEU H H 71 8.293 8.293 8.678 -0.385 19087 5166 1 10 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.558 -0.198 19087 5167 1 10 . 1 1 72 72 PRO C C 72 176.922 176.922 176.662 0.260 19087 5168 1 10 . 1 1 72 72 PRO CA C 72 64.244 64.244 63.242 1.002 19087 5169 1 10 . 1 1 72 72 PRO CB C 72 32.466 32.466 32.581 -0.115 19087 5170 1 10 . 1 1 73 73 ASP N N 73 115.106 115.106 117.960 -2.854 19087 5171 1 10 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.520 0.038 19087 5172 1 10 . 1 1 73 73 ASP C C 73 175.809 175.809 175.289 0.520 19087 5173 1 10 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.681 0.464 19087 5174 1 10 . 1 1 73 73 ASP CB C 73 40.778 40.778 41.334 -0.556 19087 5175 1 10 . 1 1 73 73 ASP H H 73 8.431 8.431 8.551 -0.120 19087 5176 1 10 . 1 1 74 74 VAL N N 74 122.218 122.218 120.837 1.381 19087 5177 1 10 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.184 -0.218 19087 5178 1 10 . 1 1 74 74 VAL C C 74 175.339 175.339 174.439 0.900 19087 5179 1 10 . 1 1 74 74 VAL CA C 74 63.871 63.871 61.702 2.170 19087 5180 1 10 . 1 1 74 74 VAL CB C 74 32.075 32.075 32.584 -0.509 19087 5181 1 10 . 1 1 74 74 VAL H H 74 7.468 7.468 7.532 -0.064 19087 5182 1 10 . 1 1 75 75 ALA N N 75 128.630 128.630 128.090 0.540 19087 5183 1 10 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.541 -0.116 19087 5184 1 10 . 1 1 75 75 ALA C C 75 176.404 176.404 176.022 0.382 19087 5185 1 10 . 1 1 75 75 ALA CA C 75 52.427 52.427 51.677 0.750 19087 5186 1 10 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.299 1.172 19087 5187 1 10 . 1 1 75 75 ALA H H 75 8.581 8.581 8.615 -0.034 19087 5188 1 10 . 1 1 76 76 ALA N N 76 120.481 120.481 121.001 -0.520 19087 5189 1 10 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.523 0.134 19087 5190 1 10 . 1 1 76 76 ALA C C 76 175.925 175.925 176.856 -0.931 19087 5191 1 10 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.410 -0.415 19087 5192 1 10 . 1 1 76 76 ALA CB C 76 22.365 22.365 21.208 1.157 19087 5193 1 10 . 1 1 76 76 ALA H H 76 7.438 7.438 7.496 -0.058 19087 5194 1 10 . 1 1 77 77 THR N N 77 121.464 121.464 118.934 2.530 19087 5195 1 10 . 1 1 77 77 THR HA H 77 4.734 4.734 4.559 0.175 19087 5196 1 10 . 1 1 77 77 THR C C 77 174.143 174.143 174.189 -0.046 19087 5197 1 10 . 1 1 77 77 THR CA C 77 63.914 63.914 62.689 1.225 19087 5198 1 10 . 1 1 77 77 THR CB C 77 70.070 70.070 68.343 1.727 19087 5199 1 10 . 1 1 77 77 THR H H 77 8.390 8.390 8.484 -0.094 19087 5200 1 10 . 1 1 78 78 THR N N 78 123.538 123.538 124.218 -0.680 19087 5201 1 10 . 1 1 78 78 THR HA H 78 4.644 4.644 5.178 -0.534 19087 5202 1 10 . 1 1 78 78 THR C C 78 181.684 181.684 172.769 8.915 19087 5203 1 10 . 1 1 78 78 THR CA C 78 62.511 62.511 61.424 1.087 19087 5204 1 10 . 1 1 78 78 THR CB C 78 72.846 72.846 72.843 0.003 19087 5205 1 10 . 1 1 78 78 THR H H 78 8.355 8.355 8.832 -0.477 19087 5206 1 10 . 1 1 79 79 VAL N N 79 126.455 126.455 124.405 2.050 19087 5207 1 10 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.268 0.328 19087 5208 1 10 . 1 1 79 79 VAL C C 79 173.702 173.702 174.210 -0.508 19087 5209 1 10 . 1 1 79 79 VAL CA C 79 60.385 60.385 62.345 -1.960 19087 5210 1 10 . 1 1 79 79 VAL CB C 79 33.089 33.089 32.221 0.868 19087 5211 1 10 . 1 1 79 79 VAL H H 79 8.685 8.685 9.058 -0.373 19087 5212 1 10 . 1 1 80 80 TYR N N 80 123.574 123.574 131.014 -7.440 19087 5213 1 10 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.243 1.157 19087 5214 1 10 . 1 1 80 80 TYR C C 80 176.410 176.410 173.745 2.665 19087 5215 1 10 . 1 1 80 80 TYR CA C 80 56.608 56.608 55.702 0.906 19087 5216 1 10 . 1 1 80 80 TYR CB C 80 42.567 42.567 40.568 1.999 19087 5217 1 10 . 1 1 80 80 TYR H H 80 9.702 9.702 8.641 1.061 19087 5218 1 10 . 1 1 81 81 TYR N N 81 117.754 117.754 123.957 -6.203 19087 5219 1 10 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.177 0.297 19087 5220 1 10 . 1 1 81 81 TYR C C 81 173.237 173.237 173.876 -0.639 19087 5221 1 10 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.526 -0.028 19087 5222 1 10 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.679 1.570 19087 5223 1 10 . 1 1 81 81 TYR H H 81 8.221 8.221 8.021 0.200 19087 5224 1 10 . 1 1 82 82 THR N N 82 111.056 111.056 116.685 -5.629 19087 5225 1 10 . 1 1 82 82 THR HA H 82 4.724 4.724 4.338 0.386 19087 5226 1 10 . 1 1 82 82 THR C C 82 174.521 174.521 174.640 -0.119 19087 5227 1 10 . 1 1 82 82 THR CA C 82 60.896 60.896 60.860 0.036 19087 5228 1 10 . 1 1 82 82 THR CB C 82 71.506 71.506 69.836 1.670 19087 5229 1 10 . 1 1 82 82 THR H H 82 8.245 8.245 8.708 -0.463 19087 5230 1 10 . 1 1 83 83 GLU N N 83 117.058 117.058 117.777 -0.719 19087 5231 1 10 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.575 -0.098 19087 5232 1 10 . 1 1 83 83 GLU C C 83 176.152 176.152 175.902 0.250 19087 5233 1 10 . 1 1 83 83 GLU CA C 83 57.179 57.179 55.901 1.278 19087 5234 1 10 . 1 1 83 83 GLU CB C 83 28.714 28.714 30.568 -1.854 19087 5235 1 10 . 1 1 83 83 GLU H H 83 8.772 8.772 8.436 0.336 19087 5236 1 10 . 1 1 84 84 VAL N N 84 123.039 123.039 121.535 1.504 19087 5237 1 10 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.857 0.037 19087 5238 1 10 . 1 1 84 84 VAL C C 84 177.170 177.170 176.328 0.842 19087 5239 1 10 . 1 1 84 84 VAL CA C 84 63.678 63.678 64.261 -0.583 19087 5240 1 10 . 1 1 84 84 VAL CB C 84 32.474 32.474 31.586 0.888 19087 5241 1 10 . 1 1 84 84 VAL H H 84 7.818 7.818 7.848 -0.030 19087 5242 1 10 . 1 1 85 85 GLU N N 85 129.351 129.351 124.640 4.711 19087 5243 1 10 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.913 -0.021 19087 5244 1 10 . 1 1 85 85 GLU CA C 85 59.005 59.005 57.002 2.003 19087 5245 1 10 . 1 1 85 85 GLU CB C 85 29.523 29.523 27.735 1.788 19087 5246 1 10 . 1 1 85 85 GLU H H 85 8.796 8.796 9.165 -0.369 19087 5247 1 10 . 1 1 86 86 GLY C C 86 176.321 176.321 175.415 0.906 19087 5248 1 10 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.211 0.665 19087 5249 1 10 . 1 1 87 87 GLU N N 87 121.773 121.773 120.460 1.313 19087 5250 1 10 . 1 1 87 87 GLU HA H 87 3.948 3.948 3.898 0.050 19087 5251 1 10 . 1 1 87 87 GLU C C 87 178.276 178.276 178.267 0.009 19087 5252 1 10 . 1 1 87 87 GLU CA C 87 61.762 61.762 59.587 2.175 19087 5253 1 10 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.769 0.327 19087 5254 1 10 . 1 1 87 87 GLU H H 87 8.133 8.133 8.001 0.132 19087 5255 1 10 . 1 1 88 88 ARG N N 88 121.466 121.466 117.057 4.409 19087 5256 1 10 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.652 -0.290 19087 5257 1 10 . 1 1 88 88 ARG C C 88 177.229 177.229 177.799 -0.570 19087 5258 1 10 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.737 0.756 19087 5259 1 10 . 1 1 88 88 ARG CB C 88 29.059 29.059 29.595 -0.536 19087 5260 1 10 . 1 1 88 88 ARG H H 88 9.132 9.132 8.392 0.740 19087 5261 1 10 . 1 1 89 89 ALA N N 89 119.527 119.527 121.623 -2.096 19087 5262 1 10 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.252 -0.069 19087 5263 1 10 . 1 1 89 89 ALA C C 89 181.949 181.949 179.091 2.858 19087 5264 1 10 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.567 0.715 19087 5265 1 10 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.602 -0.474 19087 5266 1 10 . 1 1 89 89 ALA H H 89 8.388 8.388 7.710 0.678 19087 5267 1 10 . 1 1 90 90 THR N N 90 115.279 115.279 112.337 2.942 19087 5268 1 10 . 1 1 90 90 THR HA H 90 4.146 4.146 4.329 -0.183 19087 5269 1 10 . 1 1 90 90 THR C C 90 175.118 175.118 176.388 -1.270 19087 5270 1 10 . 1 1 90 90 THR CA C 90 66.607 66.607 65.418 1.189 19087 5271 1 10 . 1 1 90 90 THR CB C 90 68.971 68.971 69.161 -0.190 19087 5272 1 10 . 1 1 90 90 THR H H 90 7.640 7.640 7.698 -0.058 19087 5273 1 10 . 1 1 91 91 ALA N N 91 124.784 124.784 123.334 1.450 19087 5274 1 10 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.018 -0.249 19087 5275 1 10 . 1 1 91 91 ALA C C 91 178.546 178.546 178.671 -0.125 19087 5276 1 10 . 1 1 91 91 ALA CA C 91 55.552 55.552 54.623 0.929 19087 5277 1 10 . 1 1 91 91 ALA CB C 91 19.253 19.253 17.970 1.283 19087 5278 1 10 . 1 1 91 91 ALA H H 91 9.095 9.095 7.965 1.130 19087 5279 1 10 . 1 1 92 92 ASP N N 92 118.310 118.310 119.711 -1.401 19087 5280 1 10 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.128 0.289 19087 5281 1 10 . 1 1 92 92 ASP C C 92 179.053 179.053 177.902 1.151 19087 5282 1 10 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.594 0.048 19087 5283 1 10 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.541 -0.112 19087 5284 1 10 . 1 1 92 92 ASP H H 92 8.898 8.898 7.520 1.378 19087 5285 1 10 . 1 1 93 93 ALA N N 93 122.980 122.980 121.105 1.875 19087 5286 1 10 . 1 1 93 93 ALA HA H 93 4.274 4.274 3.970 0.304 19087 5287 1 10 . 1 1 93 93 ALA C C 93 180.933 180.933 179.125 1.808 19087 5288 1 10 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.005 0.570 19087 5289 1 10 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.521 -0.345 19087 5290 1 10 . 1 1 93 93 ALA H H 93 7.424 7.424 7.333 0.091 19087 5291 1 10 . 1 1 94 94 VAL N N 94 123.968 123.968 118.266 5.702 19087 5292 1 10 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.644 -0.700 19087 5293 1 10 . 1 1 94 94 VAL C C 94 178.269 178.269 178.014 0.255 19087 5294 1 10 . 1 1 94 94 VAL CA C 94 66.399 66.399 66.421 -0.021 19087 5295 1 10 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.505 -0.802 19087 5296 1 10 . 1 1 94 94 VAL H H 94 8.808 8.808 7.219 1.589 19087 5297 1 10 . 1 1 95 95 GLY N N 95 108.282 108.282 106.187 2.095 19087 5298 1 10 . 1 1 95 95 GLY C C 95 176.440 176.440 175.894 0.546 19087 5299 1 10 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.004 0.915 19087 5300 1 10 . 1 1 95 95 GLY H H 95 9.355 9.355 8.174 1.181 19087 5301 1 10 . 1 1 96 96 ARG N N 96 120.852 120.852 121.241 -0.389 19087 5302 1 10 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.080 0.123 19087 5303 1 10 . 1 1 96 96 ARG C C 96 179.101 179.101 178.068 1.033 19087 5304 1 10 . 1 1 96 96 ARG CA C 96 59.210 59.210 59.274 -0.064 19087 5305 1 10 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.386 0.148 19087 5306 1 10 . 1 1 96 96 ARG H H 96 8.112 8.112 7.926 0.186 19087 5307 1 10 . 1 1 97 97 THR N N 97 117.170 117.170 114.552 2.618 19087 5308 1 10 . 1 1 97 97 THR HA H 97 3.986 3.986 4.084 -0.098 19087 5309 1 10 . 1 1 97 97 THR C C 97 175.451 175.451 175.944 -0.493 19087 5310 1 10 . 1 1 97 97 THR CA C 97 66.867 66.867 64.878 1.989 19087 5311 1 10 . 1 1 97 97 THR CB C 97 68.205 68.205 68.836 -0.631 19087 5312 1 10 . 1 1 97 97 THR H H 97 7.854 7.854 7.503 0.351 19087 5313 1 10 . 1 1 98 98 LEU N N 98 115.294 115.294 120.854 -5.560 19087 5314 1 10 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.409 -0.104 19087 5315 1 10 . 1 1 98 98 LEU C C 98 177.537 177.537 177.127 0.410 19087 5316 1 10 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.045 -0.462 19087 5317 1 10 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.754 0.619 19087 5318 1 10 . 1 1 98 98 LEU H H 98 7.855 7.855 7.918 -0.063 19087 5319 1 10 . 1 1 99 99 GLY N N 99 111.931 111.931 107.566 4.365 19087 5320 1 10 . 1 1 99 99 GLY C C 99 173.997 173.997 174.191 -0.194 19087 5321 1 10 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.310 1.683 19087 5322 1 10 . 1 1 99 99 GLY H H 99 8.101 8.101 7.564 0.537 19087 5323 1 10 . 1 1 100 100 ALA N N 100 121.739 121.739 121.192 0.547 19087 5324 1 10 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.576 0.161 19087 5325 1 10 . 1 1 100 100 ALA C C 100 175.351 175.351 175.663 -0.312 19087 5326 1 10 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.480 -0.074 19087 5327 1 10 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.663 2.296 19087 5328 1 10 . 1 1 100 100 ALA H H 100 8.033 8.033 7.453 0.580 19087 5329 1 10 . 1 1 101 101 ALA N N 101 122.895 122.895 123.010 -0.115 19087 5330 1 10 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.536 -0.327 19087 5331 1 10 . 1 1 101 101 ALA C C 101 175.179 175.179 176.162 -0.983 19087 5332 1 10 . 1 1 101 101 ALA CA C 101 52.737 52.737 52.633 0.104 19087 5333 1 10 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.533 0.281 19087 5334 1 10 . 1 1 101 101 ALA H H 101 7.782 7.782 8.457 -0.675 19087 5335 1 10 . 1 1 102 102 VAL N N 102 120.035 120.035 119.478 0.557 19087 5336 1 10 . 1 1 102 102 VAL HA H 102 5.054 5.054 5.066 -0.012 19087 5337 1 10 . 1 1 102 102 VAL C C 102 176.587 176.587 174.861 1.726 19087 5338 1 10 . 1 1 102 102 VAL CA C 102 60.988 60.988 60.029 0.959 19087 5339 1 10 . 1 1 102 102 VAL CB C 102 33.725 33.725 33.455 0.270 19087 5340 1 10 . 1 1 102 102 VAL H H 102 7.872 7.872 8.231 -0.359 19087 5341 1 10 . 1 1 103 103 GLU N N 103 126.469 126.469 125.715 0.754 19087 5342 1 10 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.541 0.338 19087 5343 1 10 . 1 1 103 103 GLU C C 103 174.343 174.343 174.317 0.026 19087 5344 1 10 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.566 -0.215 19087 5345 1 10 . 1 1 103 103 GLU CB C 103 35.595 35.595 33.764 1.831 19087 5346 1 10 . 1 1 103 103 GLU H H 103 9.215 9.215 8.835 0.380 19087 5347 1 10 . 1 1 104 104 LEU N N 104 123.109 123.109 122.683 0.426 19087 5348 1 10 . 1 1 104 104 LEU HA H 104 3.591 3.591 3.567 0.024 19087 5349 1 10 . 1 1 104 104 LEU C C 104 178.379 178.379 177.649 0.730 19087 5350 1 10 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.340 -0.420 19087 5351 1 10 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.713 0.197 19087 5352 1 10 . 1 1 104 104 LEU H H 104 8.273 8.273 8.287 -0.014 19087 5353 1 10 . 1 1 105 105 ARG N N 105 119.790 119.790 117.600 2.190 19087 5354 1 10 . 1 1 105 105 ARG HA H 105 4.261 4.261 3.700 0.561 19087 5355 1 10 . 1 1 105 105 ARG C C 105 177.043 177.043 175.567 1.476 19087 5356 1 10 . 1 1 105 105 ARG CA C 105 59.310 59.310 57.039 2.271 19087 5357 1 10 . 1 1 105 105 ARG CB C 105 32.077 32.077 29.547 2.530 19087 5358 1 10 . 1 1 105 105 ARG H H 105 8.300 8.300 8.169 0.131 19087 5359 1 10 . 1 1 106 106 LEU N N 106 122.431 122.431 114.724 7.707 19087 5360 1 10 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.016 0.382 19087 5361 1 10 . 1 1 106 106 LEU CA C 106 54.701 54.701 54.472 0.229 19087 5362 1 10 . 1 1 106 106 LEU CB C 106 42.469 42.469 41.080 1.389 19087 5363 1 10 . 1 1 106 106 LEU H H 106 8.026 8.026 7.577 0.449 19087 5364 1 10 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.410 -0.171 19087 5365 1 10 . 1 1 107 107 PRO C C 107 179.627 179.627 177.934 1.693 19087 5366 1 10 . 1 1 107 107 PRO CA C 107 65.898 65.898 64.751 1.147 19087 5367 1 10 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.903 -0.384 19087 5368 1 10 . 1 1 108 108 GLU N N 108 116.744 116.744 117.868 -1.124 19087 5369 1 10 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.244 -0.146 19087 5370 1 10 . 1 1 108 108 GLU C C 108 176.957 176.957 178.015 -1.058 19087 5371 1 10 . 1 1 108 108 GLU CA C 108 59.584 59.584 58.609 0.975 19087 5372 1 10 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.332 0.825 19087 5373 1 10 . 1 1 108 108 GLU H H 108 9.605 9.605 8.996 0.609 19087 5374 1 10 . 1 1 109 109 LEU N N 109 116.575 116.575 116.118 0.457 19087 5375 1 10 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.617 -0.087 19087 5376 1 10 . 1 1 109 109 LEU C C 109 177.894 177.894 177.907 -0.013 19087 5377 1 10 . 1 1 109 109 LEU CA C 109 53.489 53.489 55.342 -1.853 19087 5378 1 10 . 1 1 109 109 LEU CB C 109 42.241 42.241 40.858 1.383 19087 5379 1 10 . 1 1 109 109 LEU H H 109 7.630 7.630 7.532 0.098 19087 5380 1 10 . 1 1 110 110 SER N N 110 117.031 117.031 114.310 2.721 19087 5381 1 10 . 1 1 110 110 SER HA H 110 3.943 3.943 4.241 -0.298 19087 5382 1 10 . 1 1 110 110 SER C C 110 174.273 174.273 175.620 -1.347 19087 5383 1 10 . 1 1 110 110 SER CA C 110 59.543 59.543 60.825 -1.282 19087 5384 1 10 . 1 1 110 110 SER CB C 110 63.609 63.609 63.386 0.223 19087 5385 1 10 . 1 1 110 110 SER H H 110 7.757 7.757 7.922 -0.165 19087 5386 1 10 . 1 1 111 111 ASP N N 111 117.804 117.804 119.027 -1.223 19087 5387 1 10 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.765 -0.183 19087 5388 1 10 . 1 1 111 111 ASP C C 111 176.760 176.760 175.523 1.237 19087 5389 1 10 . 1 1 111 111 ASP CA C 111 53.976 53.976 54.518 -0.542 19087 5390 1 10 . 1 1 111 111 ASP CB C 111 40.183 40.183 42.215 -2.032 19087 5391 1 10 . 1 1 111 111 ASP H H 111 8.315 8.315 7.634 0.681 19087 5392 1 10 . 1 1 112 112 GLN N N 112 119.300 119.300 120.685 -1.385 19087 5393 1 10 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.678 -0.378 19087 5394 1 10 . 1 1 112 112 GLN CA C 112 55.014 55.014 52.374 2.640 19087 5395 1 10 . 1 1 112 112 GLN CB C 112 26.568 26.568 29.741 -3.173 19087 5396 1 10 . 1 1 112 112 GLN H H 112 7.212 7.212 7.559 -0.347 19087 5397 1 10 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.440 0.087 19087 5398 1 10 . 1 1 114 114 PRO C C 114 175.464 175.464 176.561 -1.097 19087 5399 1 10 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.076 0.993 19087 5400 1 10 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.742 -0.295 19087 5401 1 10 . 1 1 115 115 GLY N N 115 113.817 113.817 106.001 7.816 19087 5402 1 10 . 1 1 115 115 GLY C C 115 173.552 173.552 173.118 0.434 19087 5403 1 10 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.817 -0.864 19087 5404 1 10 . 1 1 115 115 GLY H H 115 8.443 8.443 7.877 0.566 19087 5405 1 10 . 1 1 116 116 VAL N N 116 122.049 122.049 123.143 -1.094 19087 5406 1 10 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.316 -0.185 19087 5407 1 10 . 1 1 116 116 VAL C C 116 174.533 174.533 176.097 -1.564 19087 5408 1 10 . 1 1 116 116 VAL CA C 116 63.916 63.916 64.191 -0.275 19087 5409 1 10 . 1 1 116 116 VAL CB C 116 32.342 32.342 31.284 1.058 19087 5410 1 10 . 1 1 116 116 VAL H H 116 8.957 8.957 8.040 0.917 19087 5411 1 10 . 1 1 117 117 ILE N N 117 126.102 126.102 124.167 1.935 19087 5412 1 10 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.215 -0.276 19087 5413 1 10 . 1 1 117 117 ILE C C 117 174.181 174.181 175.542 -1.361 19087 5414 1 10 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.957 1.112 19087 5415 1 10 . 1 1 117 117 ILE CB C 117 42.368 42.368 38.941 3.427 19087 5416 1 10 . 1 1 117 117 ILE H H 117 7.863 7.863 8.831 -0.968 19087 5417 1 10 . 1 1 118 118 VAL N N 118 127.665 127.665 129.073 -1.408 19087 5418 1 10 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.373 0.551 19087 5419 1 10 . 1 1 118 118 VAL C C 118 175.224 175.224 175.450 -0.226 19087 5420 1 10 . 1 1 118 118 VAL CA C 118 60.580 60.580 61.913 -1.333 19087 5421 1 10 . 1 1 118 118 VAL CB C 118 33.945 33.945 31.573 2.372 19087 5422 1 10 . 1 1 118 118 VAL H H 118 9.348 9.348 8.774 0.574 19087 5423 1 10 . 1 1 119 119 VAL N N 119 121.828 121.828 129.942 -8.114 19087 5424 1 10 . 1 1 119 119 VAL HA H 119 5.563 5.563 4.769 0.794 19087 5425 1 10 . 1 1 119 119 VAL C C 119 174.425 174.425 175.109 -0.684 19087 5426 1 10 . 1 1 119 119 VAL CA C 119 58.691 58.691 61.161 -2.470 19087 5427 1 10 . 1 1 119 119 VAL CB C 119 32.886 32.886 31.488 1.399 19087 5428 1 10 . 1 1 119 119 VAL H H 119 9.096 9.096 8.766 0.330 19087 5429 1 10 . 1 1 120 120 VAL N N 120 120.260 120.260 128.792 -8.532 19087 5430 1 10 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.546 0.272 19087 5431 1 10 . 1 1 120 120 VAL C C 120 175.649 175.649 175.188 0.461 19087 5432 1 10 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.488 0.143 19087 5433 1 10 . 1 1 120 120 VAL CB C 120 34.550 34.550 33.203 1.347 19087 5434 1 10 . 1 1 120 120 VAL H H 120 8.809 8.809 8.810 -0.001 19087 5435 1 10 . 1 1 121 121 THR N N 121 114.564 114.564 117.518 -2.954 19087 5436 1 10 . 1 1 121 121 THR HA H 121 4.428 4.428 4.565 -0.137 19087 5437 1 10 . 1 1 121 121 THR C C 121 173.833 173.833 173.720 0.113 19087 5438 1 10 . 1 1 121 121 THR CA C 121 60.834 60.834 60.893 -0.059 19087 5439 1 10 . 1 1 121 121 THR CB C 121 69.413 69.413 70.494 -1.081 19087 5440 1 10 . 1 1 121 121 THR H H 121 7.859 7.859 8.568 -0.709 19087 5441 1 11 . 1 1 6 6 SER C C 6 174.665 174.665 174.632 0.033 19087 5442 1 11 . 1 1 6 6 SER CA C 6 58.745 58.745 57.723 1.022 19087 5443 1 11 . 1 1 6 6 SER CB C 6 63.870 63.870 63.326 0.544 19087 5444 1 11 . 1 1 7 7 GLU N N 7 122.278 122.278 121.052 1.226 19087 5445 1 11 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.331 0.397 19087 5446 1 11 . 1 1 7 7 GLU C C 7 176.279 176.279 176.670 -0.391 19087 5447 1 11 . 1 1 7 7 GLU CA C 7 56.894 56.894 56.912 -0.018 19087 5448 1 11 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.954 0.255 19087 5449 1 11 . 1 1 7 7 GLU H H 7 8.475 8.475 8.656 -0.181 19087 5450 1 11 . 1 1 8 8 ASP N N 8 120.753 120.753 120.588 0.165 19087 5451 1 11 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.437 0.272 19087 5452 1 11 . 1 1 8 8 ASP C C 8 176.070 176.070 175.927 0.143 19087 5453 1 11 . 1 1 8 8 ASP CA C 8 54.366 54.366 55.344 -0.978 19087 5454 1 11 . 1 1 8 8 ASP CB C 8 41.459 41.459 41.126 0.333 19087 5455 1 11 . 1 1 8 8 ASP H H 8 8.206 8.206 8.018 0.188 19087 5456 1 11 . 1 1 9 9 ASP N N 9 121.430 121.430 117.028 4.402 19087 5457 1 11 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.346 0.357 19087 5458 1 11 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.988 -0.544 19087 5459 1 11 . 1 1 9 9 ASP CB C 9 41.220 41.220 40.716 0.504 19087 5460 1 11 . 1 1 9 9 ASP H H 9 8.256 8.256 8.397 -0.141 19087 5461 1 11 . 1 1 11 11 SER C C 11 174.517 174.517 172.588 1.929 19087 5462 1 11 . 1 1 11 11 SER CA C 11 59.364 59.364 58.586 0.778 19087 5463 1 11 . 1 1 11 11 SER CB C 11 63.989 63.989 63.983 0.006 19087 5464 1 11 . 1 1 12 12 ALA N N 12 125.500 125.500 127.864 -2.364 19087 5465 1 11 . 1 1 12 12 ALA HA H 12 4.356 4.356 5.058 -0.702 19087 5466 1 11 . 1 1 12 12 ALA C C 12 177.811 177.811 175.989 1.822 19087 5467 1 11 . 1 1 12 12 ALA CA C 12 52.815 52.815 51.398 1.417 19087 5468 1 11 . 1 1 12 12 ALA CB C 12 19.204 19.204 19.823 -0.619 19087 5469 1 11 . 1 1 12 12 ALA H H 12 8.087 8.087 8.705 -0.618 19087 5470 1 11 . 1 1 13 13 ILE N N 13 119.045 119.045 119.453 -0.408 19087 5471 1 11 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.552 -0.359 19087 5472 1 11 . 1 1 13 13 ILE CA C 13 61.163 61.163 60.493 0.670 19087 5473 1 11 . 1 1 13 13 ILE CB C 13 38.721 38.721 39.467 -0.746 19087 5474 1 11 . 1 1 13 13 ILE H H 13 7.938 7.938 8.296 -0.358 19087 5475 1 11 . 1 1 14 14 SER N N 14 119.662 119.662 116.102 3.560 19087 5476 1 11 . 1 1 14 14 SER H H 14 8.339 8.339 8.813 -0.474 19087 5477 1 11 . 1 1 21 21 ALA HA H 21 4.286 4.286 5.142 -0.856 19087 5478 1 11 . 1 1 21 21 ALA C C 21 177.013 177.013 175.393 1.620 19087 5479 1 11 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.177 0.408 19087 5480 1 11 . 1 1 21 21 ALA CB C 21 19.339 19.339 20.852 -1.513 19087 5481 1 11 . 1 1 22 22 ALA N N 22 124.579 124.579 124.044 0.535 19087 5482 1 11 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.619 0.106 19087 5483 1 11 . 1 1 22 22 ALA CA C 22 50.310 50.310 50.693 -0.383 19087 5484 1 11 . 1 1 22 22 ALA CB C 22 18.232 18.232 19.379 -1.147 19087 5485 1 11 . 1 1 22 22 ALA H H 22 8.182 8.182 8.310 -0.128 19087 5486 1 11 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.472 -0.337 19087 5487 1 11 . 1 1 28 28 VAL C C 28 175.779 175.779 175.311 0.468 19087 5488 1 11 . 1 1 28 28 VAL CA C 28 62.167 62.167 61.651 0.515 19087 5489 1 11 . 1 1 28 28 VAL CB C 28 32.681 32.681 32.988 -0.307 19087 5490 1 11 . 1 1 29 29 LYS N N 29 126.858 126.858 125.240 1.618 19087 5491 1 11 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.696 0.016 19087 5492 1 11 . 1 1 29 29 LYS CA C 29 54.135 54.135 54.476 -0.341 19087 5493 1 11 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.515 0.131 19087 5494 1 11 . 1 1 29 29 LYS H H 29 8.346 8.346 8.419 -0.073 19087 5495 1 11 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.394 0.008 19087 5496 1 11 . 1 1 30 30 PRO C C 30 176.435 176.435 176.107 0.328 19087 5497 1 11 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.613 0.163 19087 5498 1 11 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.176 -0.022 19087 5499 1 11 . 1 1 31 31 ALA N N 31 124.680 124.680 123.633 1.047 19087 5500 1 11 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.228 0.119 19087 5501 1 11 . 1 1 31 31 ALA C C 31 176.860 176.860 176.843 0.017 19087 5502 1 11 . 1 1 31 31 ALA CA C 31 52.316 52.316 52.104 0.212 19087 5503 1 11 . 1 1 31 31 ALA CB C 31 19.398 19.398 19.270 0.128 19087 5504 1 11 . 1 1 31 31 ALA H H 31 8.324 8.324 8.212 0.112 19087 5505 1 11 . 1 1 32 32 ALA N N 32 125.011 125.011 122.850 2.161 19087 5506 1 11 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.991 -0.255 19087 5507 1 11 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.458 0.029 19087 5508 1 11 . 1 1 32 32 ALA CB C 32 18.203 18.203 18.540 -0.337 19087 5509 1 11 . 1 1 32 32 ALA H H 32 8.246 8.246 8.783 -0.537 19087 5510 1 11 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.529 -0.063 19087 5511 1 11 . 1 1 33 33 PRO C C 33 176.834 176.834 175.859 0.975 19087 5512 1 11 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.767 0.058 19087 5513 1 11 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.340 -0.345 19087 5514 1 11 . 1 1 34 34 ARG N N 34 121.170 121.170 117.185 3.985 19087 5515 1 11 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.567 -0.181 19087 5516 1 11 . 1 1 34 34 ARG C C 34 175.853 175.853 174.796 1.057 19087 5517 1 11 . 1 1 34 34 ARG CA C 34 55.912 55.912 55.003 0.909 19087 5518 1 11 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.691 -0.019 19087 5519 1 11 . 1 1 34 34 ARG H H 34 8.349 8.349 8.320 0.029 19087 5520 1 11 . 1 1 35 35 ALA N N 35 124.878 124.878 124.502 0.376 19087 5521 1 11 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.324 0.288 19087 5522 1 11 . 1 1 35 35 ALA C C 35 176.170 176.170 176.302 -0.132 19087 5523 1 11 . 1 1 35 35 ALA CA C 35 51.566 51.566 51.297 0.269 19087 5524 1 11 . 1 1 35 35 ALA CB C 35 20.722 20.722 19.920 0.802 19087 5525 1 11 . 1 1 35 35 ALA H H 35 8.008 8.008 8.475 -0.467 19087 5526 1 11 . 1 1 36 36 GLU N N 36 119.776 119.776 120.169 -0.393 19087 5527 1 11 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.611 -0.180 19087 5528 1 11 . 1 1 36 36 GLU C C 36 174.618 174.618 174.789 -0.171 19087 5529 1 11 . 1 1 36 36 GLU CA C 36 56.472 56.472 55.892 0.580 19087 5530 1 11 . 1 1 36 36 GLU CB C 36 31.124 31.124 31.187 -0.063 19087 5531 1 11 . 1 1 36 36 GLU H H 36 8.495 8.495 8.506 -0.011 19087 5532 1 11 . 1 1 37 37 VAL N N 37 119.808 119.808 125.245 -5.437 19087 5533 1 11 . 1 1 37 37 VAL HA H 37 4.902 4.902 5.276 -0.374 19087 5534 1 11 . 1 1 37 37 VAL C C 37 174.285 174.285 175.031 -0.746 19087 5535 1 11 . 1 1 37 37 VAL CA C 37 60.639 60.639 60.081 0.558 19087 5536 1 11 . 1 1 37 37 VAL CB C 37 34.612 34.612 35.088 -0.476 19087 5537 1 11 . 1 1 37 37 VAL H H 37 8.494 8.494 8.871 -0.377 19087 5538 1 11 . 1 1 38 38 ARG N N 38 124.534 124.534 125.046 -0.512 19087 5539 1 11 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.205 -0.279 19087 5540 1 11 . 1 1 38 38 ARG C C 38 174.239 174.239 173.894 0.345 19087 5541 1 11 . 1 1 38 38 ARG CA C 38 55.092 55.092 55.678 -0.586 19087 5542 1 11 . 1 1 38 38 ARG CB C 38 34.190 34.190 35.017 -0.827 19087 5543 1 11 . 1 1 38 38 ARG H H 38 8.652 8.652 9.158 -0.506 19087 5544 1 11 . 1 1 39 39 VAL N N 39 121.231 121.231 124.855 -3.624 19087 5545 1 11 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.964 -0.166 19087 5546 1 11 . 1 1 39 39 VAL C C 39 173.357 173.357 174.305 -0.948 19087 5547 1 11 . 1 1 39 39 VAL CA C 39 60.638 60.638 60.991 -0.353 19087 5548 1 11 . 1 1 39 39 VAL CB C 39 34.294 34.294 33.767 0.527 19087 5549 1 11 . 1 1 39 39 VAL H H 39 7.934 7.934 8.861 -0.927 19087 5550 1 11 . 1 1 40 40 TYR N N 40 122.262 122.262 123.382 -1.120 19087 5551 1 11 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.312 -0.158 19087 5552 1 11 . 1 1 40 40 TYR C C 40 175.124 175.124 173.624 1.500 19087 5553 1 11 . 1 1 40 40 TYR CA C 40 55.540 55.540 54.624 0.916 19087 5554 1 11 . 1 1 40 40 TYR CB C 40 42.223 42.223 40.945 1.278 19087 5555 1 11 . 1 1 40 40 TYR H H 40 9.343 9.343 8.867 0.476 19087 5556 1 11 . 1 1 41 41 ASN N N 41 121.684 121.684 119.616 2.068 19087 5557 1 11 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.026 0.006 19087 5558 1 11 . 1 1 41 41 ASN C C 41 176.301 176.301 175.510 0.791 19087 5559 1 11 . 1 1 41 41 ASN CA C 41 52.635 52.635 54.414 -1.780 19087 5560 1 11 . 1 1 41 41 ASN CB C 41 39.836 39.836 39.632 0.204 19087 5561 1 11 . 1 1 41 41 ASN H H 41 9.287 9.287 8.510 0.777 19087 5562 1 11 . 1 1 42 42 ILE N N 42 119.462 119.462 123.409 -3.947 19087 5563 1 11 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.555 0.895 19087 5564 1 11 . 1 1 42 42 ILE C C 42 176.450 176.450 176.515 -0.065 19087 5565 1 11 . 1 1 42 42 ILE CA C 42 60.513 60.513 62.274 -1.761 19087 5566 1 11 . 1 1 42 42 ILE CB C 42 38.597 38.597 38.952 -0.355 19087 5567 1 11 . 1 1 42 42 ILE H H 42 8.541 8.541 8.479 0.062 19087 5568 1 11 . 1 1 43 43 SER N N 43 118.212 118.212 114.259 3.953 19087 5569 1 11 . 1 1 43 43 SER HA H 43 4.729 4.729 4.618 0.111 19087 5570 1 11 . 1 1 43 43 SER CA C 43 58.598 58.598 58.735 -0.137 19087 5571 1 11 . 1 1 43 43 SER CB C 43 66.262 66.262 64.441 1.821 19087 5572 1 11 . 1 1 43 43 SER H H 43 8.142 8.142 8.176 -0.034 19087 5573 1 11 . 1 1 44 44 GLY C C 44 174.414 174.414 174.487 -0.073 19087 5574 1 11 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.602 -0.223 19087 5575 1 11 . 1 1 45 45 THR N N 45 116.371 116.371 115.049 1.322 19087 5576 1 11 . 1 1 45 45 THR HA H 45 4.384 4.384 4.293 0.091 19087 5577 1 11 . 1 1 45 45 THR CA C 45 61.814 61.814 62.769 -0.955 19087 5578 1 11 . 1 1 45 45 THR CB C 45 69.787 69.787 70.518 -0.731 19087 5579 1 11 . 1 1 45 45 THR H H 45 8.298 8.298 8.006 0.292 19087 5580 1 11 . 1 1 47 47 GLY C C 47 175.691 175.691 174.795 0.896 19087 5581 1 11 . 1 1 47 47 GLY CA C 47 46.191 46.191 45.726 0.465 19087 5582 1 11 . 1 1 48 48 ALA N N 48 121.957 121.957 123.629 -1.672 19087 5583 1 11 . 1 1 48 48 ALA HA H 48 4.029 4.029 3.986 0.043 19087 5584 1 11 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.684 0.718 19087 5585 1 11 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.190 0.302 19087 5586 1 11 . 1 1 48 48 ALA H H 48 7.511 7.511 8.016 -0.505 19087 5587 1 11 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.995 -0.011 19087 5588 1 11 . 1 1 49 49 ALA C C 49 178.073 178.073 179.258 -1.185 19087 5589 1 11 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.886 -0.025 19087 5590 1 11 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.135 0.554 19087 5591 1 11 . 1 1 50 50 ALA N N 50 122.654 122.654 120.690 1.964 19087 5592 1 11 . 1 1 50 50 ALA HA H 50 3.989 3.989 3.972 0.017 19087 5593 1 11 . 1 1 50 50 ALA C C 50 179.642 179.642 179.353 0.289 19087 5594 1 11 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.424 1.427 19087 5595 1 11 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.094 -0.306 19087 5596 1 11 . 1 1 50 50 ALA H H 50 7.965 7.965 7.715 0.250 19087 5597 1 11 . 1 1 51 51 ARG N N 51 116.659 116.659 118.757 -2.098 19087 5598 1 11 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.076 0.115 19087 5599 1 11 . 1 1 51 51 ARG C C 51 179.931 179.931 178.294 1.637 19087 5600 1 11 . 1 1 51 51 ARG CA C 51 59.512 59.512 59.352 0.160 19087 5601 1 11 . 1 1 51 51 ARG CB C 51 30.463 30.463 30.310 0.153 19087 5602 1 11 . 1 1 51 51 ARG H H 51 7.982 7.982 7.944 0.038 19087 5603 1 11 . 1 1 52 52 THR N N 52 117.745 117.745 113.077 4.668 19087 5604 1 11 . 1 1 52 52 THR HA H 52 4.162 4.162 4.187 -0.025 19087 5605 1 11 . 1 1 52 52 THR C C 52 175.626 175.626 175.997 -0.371 19087 5606 1 11 . 1 1 52 52 THR CA C 52 68.565 68.565 64.868 3.697 19087 5607 1 11 . 1 1 52 52 THR CB C 52 70.787 70.787 68.667 2.120 19087 5608 1 11 . 1 1 52 52 THR H H 52 7.661 7.661 7.688 -0.027 19087 5609 1 11 . 1 1 53 53 ALA N N 53 123.939 123.939 122.494 1.445 19087 5610 1 11 . 1 1 53 53 ALA HA H 53 3.886 3.886 4.096 -0.210 19087 5611 1 11 . 1 1 53 53 ALA C C 53 179.013 179.013 178.343 0.670 19087 5612 1 11 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.525 1.672 19087 5613 1 11 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.354 0.363 19087 5614 1 11 . 1 1 53 53 ALA H H 53 8.805 8.805 7.726 1.079 19087 5615 1 11 . 1 1 54 54 ASP N N 54 118.351 118.351 118.850 -0.499 19087 5616 1 11 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.350 0.082 19087 5617 1 11 . 1 1 54 54 ASP C C 54 179.376 179.376 178.501 0.875 19087 5618 1 11 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.184 0.823 19087 5619 1 11 . 1 1 54 54 ASP CB C 54 40.242 40.242 41.078 -0.836 19087 5620 1 11 . 1 1 54 54 ASP H H 54 8.327 8.327 7.498 0.829 19087 5621 1 11 . 1 1 55 55 ARG N N 55 121.120 121.120 119.193 1.927 19087 5622 1 11 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.092 0.083 19087 5623 1 11 . 1 1 55 55 ARG C C 55 179.550 179.550 178.790 0.760 19087 5624 1 11 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.307 0.978 19087 5625 1 11 . 1 1 55 55 ARG CB C 55 30.320 30.320 29.745 0.575 19087 5626 1 11 . 1 1 55 55 ARG H H 55 7.723 7.723 7.587 0.136 19087 5627 1 11 . 1 1 56 56 LEU N N 56 118.659 118.659 120.678 -2.019 19087 5628 1 11 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.131 0.201 19087 5629 1 11 . 1 1 56 56 LEU C C 56 179.305 179.305 177.720 1.585 19087 5630 1 11 . 1 1 56 56 LEU CA C 56 57.437 57.437 58.111 -0.674 19087 5631 1 11 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.813 -0.526 19087 5632 1 11 . 1 1 56 56 LEU H H 56 8.215 8.215 7.593 0.622 19087 5633 1 11 . 1 1 57 57 LYS N N 57 122.713 122.713 117.461 5.252 19087 5634 1 11 . 1 1 57 57 LYS HA H 57 4.513 4.513 3.827 0.686 19087 5635 1 11 . 1 1 57 57 LYS C C 57 181.436 181.436 178.574 2.862 19087 5636 1 11 . 1 1 57 57 LYS CA C 57 60.004 60.004 58.402 1.602 19087 5637 1 11 . 1 1 57 57 LYS CB C 57 32.437 32.437 31.092 1.345 19087 5638 1 11 . 1 1 57 57 LYS H H 57 8.914 8.914 7.741 1.173 19087 5639 1 11 . 1 1 58 58 ALA N N 58 122.423 122.423 120.845 1.578 19087 5640 1 11 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.376 -0.166 19087 5641 1 11 . 1 1 58 58 ALA C C 58 178.516 178.516 178.866 -0.350 19087 5642 1 11 . 1 1 58 58 ALA CA C 58 55.069 55.069 53.784 1.285 19087 5643 1 11 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.339 -0.430 19087 5644 1 11 . 1 1 58 58 ALA H H 58 8.026 8.026 7.597 0.429 19087 5645 1 11 . 1 1 59 59 ALA N N 59 118.347 118.347 120.468 -2.121 19087 5646 1 11 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.395 0.091 19087 5647 1 11 . 1 1 59 59 ALA C C 59 176.797 176.797 177.937 -1.140 19087 5648 1 11 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.519 -0.761 19087 5649 1 11 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.802 -0.433 19087 5650 1 11 . 1 1 59 59 ALA H H 59 7.413 7.413 7.756 -0.343 19087 5651 1 11 . 1 1 60 60 GLY N N 60 104.918 104.918 107.355 -2.437 19087 5652 1 11 . 1 1 60 60 GLY C C 60 174.741 174.741 173.801 0.940 19087 5653 1 11 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.535 0.701 19087 5654 1 11 . 1 1 60 60 GLY H H 60 7.694 7.694 7.780 -0.086 19087 5655 1 11 . 1 1 61 61 PHE N N 61 118.862 118.862 117.960 0.902 19087 5656 1 11 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.553 -0.058 19087 5657 1 11 . 1 1 61 61 PHE C C 61 175.204 175.204 174.923 0.281 19087 5658 1 11 . 1 1 61 61 PHE CA C 61 58.483 58.483 56.981 1.502 19087 5659 1 11 . 1 1 61 61 PHE CB C 61 39.163 39.163 38.826 0.337 19087 5660 1 11 . 1 1 61 61 PHE H H 61 7.879 7.879 7.951 -0.072 19087 5661 1 11 . 1 1 62 62 THR N N 62 121.319 121.319 115.706 5.613 19087 5662 1 11 . 1 1 62 62 THR HA H 62 4.303 4.303 4.013 0.290 19087 5663 1 11 . 1 1 62 62 THR C C 62 173.073 173.073 173.285 -0.212 19087 5664 1 11 . 1 1 62 62 THR CA C 62 69.389 69.389 63.514 5.875 19087 5665 1 11 . 1 1 62 62 THR CB C 62 62.478 62.478 69.164 -6.686 19087 5666 1 11 . 1 1 62 62 THR H H 62 9.493 9.493 8.562 0.931 19087 5667 1 11 . 1 1 63 63 VAL N N 63 128.406 128.406 119.871 8.535 19087 5668 1 11 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.562 0.098 19087 5669 1 11 . 1 1 63 63 VAL C C 63 177.267 177.267 173.751 3.516 19087 5670 1 11 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.412 -1.313 19087 5671 1 11 . 1 1 63 63 VAL CB C 63 32.572 32.572 34.835 -2.263 19087 5672 1 11 . 1 1 63 63 VAL H H 63 8.293 8.293 7.793 0.500 19087 5673 1 11 . 1 1 64 64 THR N N 64 118.495 118.495 124.700 -6.205 19087 5674 1 11 . 1 1 64 64 THR HA H 64 4.350 4.350 5.138 -0.788 19087 5675 1 11 . 1 1 64 64 THR CA C 64 62.182 62.182 61.269 0.913 19087 5676 1 11 . 1 1 64 64 THR CB C 64 69.143 69.143 70.957 -1.814 19087 5677 1 11 . 1 1 64 64 THR H H 64 8.770 8.770 8.563 0.207 19087 5678 1 11 . 1 1 65 65 ASP HA H 65 4.301 4.301 5.060 -0.759 19087 5679 1 11 . 1 1 65 65 ASP C C 65 173.778 173.778 175.040 -1.262 19087 5680 1 11 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.931 0.356 19087 5681 1 11 . 1 1 65 65 ASP CB C 65 44.018 44.018 42.894 1.124 19087 5682 1 11 . 1 1 66 66 VAL N N 66 121.705 121.705 120.313 1.392 19087 5683 1 11 . 1 1 66 66 VAL HA H 66 4.863 4.863 5.486 -0.623 19087 5684 1 11 . 1 1 66 66 VAL C C 66 176.234 176.234 176.231 0.003 19087 5685 1 11 . 1 1 66 66 VAL CA C 66 60.597 60.597 59.502 1.095 19087 5686 1 11 . 1 1 66 66 VAL CB C 66 34.120 34.120 34.439 -0.319 19087 5687 1 11 . 1 1 66 66 VAL H H 66 7.849 7.849 8.433 -0.584 19087 5688 1 11 . 1 1 67 67 GLY N N 67 112.050 112.050 111.916 0.134 19087 5689 1 11 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.642 -0.024 19087 5690 1 11 . 1 1 67 67 GLY H H 67 8.151 8.151 8.629 -0.478 19087 5691 1 11 . 1 1 68 68 ASN C C 68 173.771 173.771 173.690 0.081 19087 5692 1 11 . 1 1 68 68 ASN CA C 68 53.062 53.062 53.082 -0.020 19087 5693 1 11 . 1 1 68 68 ASN CB C 68 39.832 39.832 40.612 -0.780 19087 5694 1 11 . 1 1 69 69 LEU N N 69 121.003 121.003 123.434 -2.431 19087 5695 1 11 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.807 -0.270 19087 5696 1 11 . 1 1 69 69 LEU C C 69 174.751 174.751 174.360 0.391 19087 5697 1 11 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.383 -0.458 19087 5698 1 11 . 1 1 69 69 LEU CB C 69 47.313 47.313 46.147 1.166 19087 5699 1 11 . 1 1 69 69 LEU H H 69 8.276 8.276 8.704 -0.428 19087 5700 1 11 . 1 1 70 70 SER N N 70 116.269 116.269 121.597 -5.328 19087 5701 1 11 . 1 1 70 70 SER C C 70 173.777 173.777 173.430 0.347 19087 5702 1 11 . 1 1 70 70 SER CA C 70 56.923 56.923 57.567 -0.644 19087 5703 1 11 . 1 1 70 70 SER CB C 70 63.219 63.219 62.551 0.668 19087 5704 1 11 . 1 1 70 70 SER H H 70 8.122 8.122 8.573 -0.451 19087 5705 1 11 . 1 1 71 71 LEU N N 71 127.999 127.999 128.310 -0.311 19087 5706 1 11 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.800 -0.044 19087 5707 1 11 . 1 1 71 71 LEU CA C 71 52.165 52.165 51.934 0.231 19087 5708 1 11 . 1 1 71 71 LEU CB C 71 44.179 44.179 41.894 2.285 19087 5709 1 11 . 1 1 71 71 LEU H H 71 8.293 8.293 8.026 0.267 19087 5710 1 11 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.388 -0.028 19087 5711 1 11 . 1 1 72 72 PRO C C 72 176.922 176.922 176.908 0.014 19087 5712 1 11 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.371 -0.127 19087 5713 1 11 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.820 0.646 19087 5714 1 11 . 1 1 73 73 ASP N N 73 115.106 115.106 116.923 -1.817 19087 5715 1 11 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.533 0.025 19087 5716 1 11 . 1 1 73 73 ASP C C 73 175.809 175.809 176.205 -0.396 19087 5717 1 11 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.089 1.056 19087 5718 1 11 . 1 1 73 73 ASP CB C 73 40.778 40.778 40.975 -0.197 19087 5719 1 11 . 1 1 73 73 ASP H H 73 8.431 8.431 8.564 -0.133 19087 5720 1 11 . 1 1 74 74 VAL N N 74 122.218 122.218 119.451 2.767 19087 5721 1 11 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.301 -0.335 19087 5722 1 11 . 1 1 74 74 VAL C C 74 175.339 175.339 173.855 1.484 19087 5723 1 11 . 1 1 74 74 VAL CA C 74 63.871 63.871 61.267 2.604 19087 5724 1 11 . 1 1 74 74 VAL CB C 74 32.075 32.075 34.209 -2.134 19087 5725 1 11 . 1 1 74 74 VAL H H 74 7.468 7.468 7.552 -0.084 19087 5726 1 11 . 1 1 75 75 ALA N N 75 128.630 128.630 126.713 1.917 19087 5727 1 11 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.512 -0.087 19087 5728 1 11 . 1 1 75 75 ALA C C 75 176.404 176.404 175.721 0.683 19087 5729 1 11 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.177 0.250 19087 5730 1 11 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.116 1.355 19087 5731 1 11 . 1 1 75 75 ALA H H 75 8.581 8.581 8.433 0.148 19087 5732 1 11 . 1 1 76 76 ALA N N 76 120.481 120.481 121.664 -1.183 19087 5733 1 11 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.623 0.034 19087 5734 1 11 . 1 1 76 76 ALA C C 76 175.925 175.925 175.798 0.127 19087 5735 1 11 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.319 -0.325 19087 5736 1 11 . 1 1 76 76 ALA CB C 76 22.365 22.365 21.626 0.739 19087 5737 1 11 . 1 1 76 76 ALA H H 76 7.438 7.438 7.621 -0.183 19087 5738 1 11 . 1 1 77 77 THR N N 77 121.464 121.464 117.461 4.003 19087 5739 1 11 . 1 1 77 77 THR HA H 77 4.734 4.734 4.640 0.094 19087 5740 1 11 . 1 1 77 77 THR C C 77 174.143 174.143 173.939 0.204 19087 5741 1 11 . 1 1 77 77 THR CA C 77 63.914 63.914 62.463 1.451 19087 5742 1 11 . 1 1 77 77 THR CB C 77 70.070 70.070 68.146 1.924 19087 5743 1 11 . 1 1 77 77 THR H H 77 8.390 8.390 8.317 0.073 19087 5744 1 11 . 1 1 78 78 THR N N 78 123.538 123.538 124.516 -0.978 19087 5745 1 11 . 1 1 78 78 THR HA H 78 4.644 4.644 4.636 0.008 19087 5746 1 11 . 1 1 78 78 THR C C 78 181.684 181.684 172.610 9.074 19087 5747 1 11 . 1 1 78 78 THR CA C 78 62.511 62.511 61.859 0.652 19087 5748 1 11 . 1 1 78 78 THR CB C 78 72.846 72.846 72.496 0.350 19087 5749 1 11 . 1 1 78 78 THR H H 78 8.355 8.355 8.606 -0.251 19087 5750 1 11 . 1 1 79 79 VAL N N 79 126.455 126.455 126.291 0.164 19087 5751 1 11 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.176 0.420 19087 5752 1 11 . 1 1 79 79 VAL C C 79 173.702 173.702 174.541 -0.839 19087 5753 1 11 . 1 1 79 79 VAL CA C 79 60.385 60.385 62.206 -1.821 19087 5754 1 11 . 1 1 79 79 VAL CB C 79 33.089 33.089 31.888 1.201 19087 5755 1 11 . 1 1 79 79 VAL H H 79 8.685 8.685 8.599 0.086 19087 5756 1 11 . 1 1 80 80 TYR N N 80 123.574 123.574 127.995 -4.421 19087 5757 1 11 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.208 1.192 19087 5758 1 11 . 1 1 80 80 TYR C C 80 176.410 176.410 175.418 0.992 19087 5759 1 11 . 1 1 80 80 TYR CA C 80 56.608 56.608 56.236 0.373 19087 5760 1 11 . 1 1 80 80 TYR CB C 80 42.567 42.567 40.193 2.374 19087 5761 1 11 . 1 1 80 80 TYR H H 80 9.702 9.702 8.824 0.878 19087 5762 1 11 . 1 1 81 81 TYR N N 81 117.754 117.754 117.929 -0.175 19087 5763 1 11 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.107 0.367 19087 5764 1 11 . 1 1 81 81 TYR C C 81 173.237 173.237 173.740 -0.503 19087 5765 1 11 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.755 -0.257 19087 5766 1 11 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.766 1.483 19087 5767 1 11 . 1 1 81 81 TYR H H 81 8.221 8.221 8.285 -0.064 19087 5768 1 11 . 1 1 82 82 THR N N 82 111.056 111.056 115.859 -4.803 19087 5769 1 11 . 1 1 82 82 THR HA H 82 4.724 4.724 4.548 0.176 19087 5770 1 11 . 1 1 82 82 THR C C 82 174.521 174.521 174.494 0.027 19087 5771 1 11 . 1 1 82 82 THR CA C 82 60.896 60.896 61.256 -0.360 19087 5772 1 11 . 1 1 82 82 THR CB C 82 71.506 71.506 70.658 0.848 19087 5773 1 11 . 1 1 82 82 THR H H 82 8.245 8.245 8.331 -0.086 19087 5774 1 11 . 1 1 83 83 GLU N N 83 117.058 117.058 118.928 -1.870 19087 5775 1 11 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.562 -0.085 19087 5776 1 11 . 1 1 83 83 GLU C C 83 176.152 176.152 176.404 -0.252 19087 5777 1 11 . 1 1 83 83 GLU CA C 83 57.179 57.179 55.745 1.434 19087 5778 1 11 . 1 1 83 83 GLU CB C 83 28.714 28.714 29.923 -1.209 19087 5779 1 11 . 1 1 83 83 GLU H H 83 8.772 8.772 8.583 0.189 19087 5780 1 11 . 1 1 84 84 VAL N N 84 123.039 123.039 122.802 0.237 19087 5781 1 11 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.857 0.037 19087 5782 1 11 . 1 1 84 84 VAL C C 84 177.170 177.170 176.641 0.529 19087 5783 1 11 . 1 1 84 84 VAL CA C 84 63.678 63.678 64.455 -0.777 19087 5784 1 11 . 1 1 84 84 VAL CB C 84 32.474 32.474 31.350 1.124 19087 5785 1 11 . 1 1 84 84 VAL H H 84 7.818 7.818 7.649 0.169 19087 5786 1 11 . 1 1 85 85 GLU N N 85 129.351 129.351 127.384 1.967 19087 5787 1 11 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.937 -0.045 19087 5788 1 11 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.091 0.914 19087 5789 1 11 . 1 1 85 85 GLU CB C 85 29.523 29.523 29.086 0.437 19087 5790 1 11 . 1 1 85 85 GLU H H 85 8.796 8.796 8.892 -0.096 19087 5791 1 11 . 1 1 86 86 GLY C C 86 176.321 176.321 174.692 1.629 19087 5792 1 11 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.183 0.693 19087 5793 1 11 . 1 1 87 87 GLU N N 87 121.773 121.773 122.213 -0.440 19087 5794 1 11 . 1 1 87 87 GLU HA H 87 3.948 3.948 3.926 0.022 19087 5795 1 11 . 1 1 87 87 GLU C C 87 178.276 178.276 177.879 0.397 19087 5796 1 11 . 1 1 87 87 GLU CA C 87 61.762 61.762 59.553 2.209 19087 5797 1 11 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.834 0.262 19087 5798 1 11 . 1 1 87 87 GLU H H 87 8.133 8.133 7.827 0.306 19087 5799 1 11 . 1 1 88 88 ARG N N 88 121.466 121.466 117.386 4.080 19087 5800 1 11 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.702 -0.340 19087 5801 1 11 . 1 1 88 88 ARG C C 88 177.229 177.229 177.695 -0.466 19087 5802 1 11 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.604 0.889 19087 5803 1 11 . 1 1 88 88 ARG CB C 88 29.059 29.059 28.929 0.130 19087 5804 1 11 . 1 1 88 88 ARG H H 88 9.132 9.132 8.393 0.739 19087 5805 1 11 . 1 1 89 89 ALA N N 89 119.527 119.527 121.576 -2.049 19087 5806 1 11 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.088 0.095 19087 5807 1 11 . 1 1 89 89 ALA C C 89 181.949 181.949 179.011 2.938 19087 5808 1 11 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.923 0.359 19087 5809 1 11 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.191 -0.063 19087 5810 1 11 . 1 1 89 89 ALA H H 89 8.388 8.388 7.700 0.688 19087 5811 1 11 . 1 1 90 90 THR N N 90 115.279 115.279 112.427 2.852 19087 5812 1 11 . 1 1 90 90 THR HA H 90 4.146 4.146 4.006 0.140 19087 5813 1 11 . 1 1 90 90 THR C C 90 175.118 175.118 176.523 -1.405 19087 5814 1 11 . 1 1 90 90 THR CA C 90 66.607 66.607 65.340 1.267 19087 5815 1 11 . 1 1 90 90 THR CB C 90 68.971 68.971 68.807 0.164 19087 5816 1 11 . 1 1 90 90 THR H H 90 7.640 7.640 7.621 0.019 19087 5817 1 11 . 1 1 91 91 ALA N N 91 124.784 124.784 123.999 0.785 19087 5818 1 11 . 1 1 91 91 ALA HA H 91 3.769 3.769 3.953 -0.184 19087 5819 1 11 . 1 1 91 91 ALA C C 91 178.546 178.546 179.006 -0.460 19087 5820 1 11 . 1 1 91 91 ALA CA C 91 55.552 55.552 55.210 0.342 19087 5821 1 11 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.332 0.921 19087 5822 1 11 . 1 1 91 91 ALA H H 91 9.095 9.095 7.759 1.336 19087 5823 1 11 . 1 1 92 92 ASP N N 92 118.310 118.310 118.968 -0.658 19087 5824 1 11 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.218 0.199 19087 5825 1 11 . 1 1 92 92 ASP C C 92 179.053 179.053 178.127 0.926 19087 5826 1 11 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.483 0.160 19087 5827 1 11 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.674 -0.245 19087 5828 1 11 . 1 1 92 92 ASP H H 92 8.898 8.898 7.870 1.028 19087 5829 1 11 . 1 1 93 93 ALA N N 93 122.980 122.980 122.249 0.731 19087 5830 1 11 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.004 0.270 19087 5831 1 11 . 1 1 93 93 ALA C C 93 180.933 180.933 179.660 1.273 19087 5832 1 11 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.285 0.290 19087 5833 1 11 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.667 -0.491 19087 5834 1 11 . 1 1 93 93 ALA H H 93 7.424 7.424 7.611 -0.187 19087 5835 1 11 . 1 1 94 94 VAL N N 94 123.968 123.968 117.832 6.136 19087 5836 1 11 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.820 -0.876 19087 5837 1 11 . 1 1 94 94 VAL C C 94 178.269 178.269 178.706 -0.437 19087 5838 1 11 . 1 1 94 94 VAL CA C 94 66.399 66.399 65.662 0.737 19087 5839 1 11 . 1 1 94 94 VAL CB C 94 30.703 30.703 30.889 -0.186 19087 5840 1 11 . 1 1 94 94 VAL H H 94 8.808 8.808 7.922 0.886 19087 5841 1 11 . 1 1 95 95 GLY N N 95 108.282 108.282 107.442 0.840 19087 5842 1 11 . 1 1 95 95 GLY C C 95 176.440 176.440 175.606 0.834 19087 5843 1 11 . 1 1 95 95 GLY CA C 95 47.919 47.919 46.948 0.971 19087 5844 1 11 . 1 1 95 95 GLY H H 95 9.355 9.355 8.448 0.907 19087 5845 1 11 . 1 1 96 96 ARG N N 96 120.852 120.852 121.184 -0.332 19087 5846 1 11 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.100 0.103 19087 5847 1 11 . 1 1 96 96 ARG C C 96 179.101 179.101 178.419 0.682 19087 5848 1 11 . 1 1 96 96 ARG CA C 96 59.210 59.210 59.078 0.132 19087 5849 1 11 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.454 0.080 19087 5850 1 11 . 1 1 96 96 ARG H H 96 8.112 8.112 7.936 0.176 19087 5851 1 11 . 1 1 97 97 THR N N 97 117.170 117.170 114.996 2.174 19087 5852 1 11 . 1 1 97 97 THR HA H 97 3.986 3.986 4.043 -0.057 19087 5853 1 11 . 1 1 97 97 THR C C 97 175.451 175.451 175.906 -0.455 19087 5854 1 11 . 1 1 97 97 THR CA C 97 66.867 66.867 65.626 1.241 19087 5855 1 11 . 1 1 97 97 THR CB C 97 68.205 68.205 69.068 -0.863 19087 5856 1 11 . 1 1 97 97 THR H H 97 7.854 7.854 7.712 0.142 19087 5857 1 11 . 1 1 98 98 LEU N N 98 115.294 115.294 119.546 -4.252 19087 5858 1 11 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.308 -0.003 19087 5859 1 11 . 1 1 98 98 LEU C C 98 177.537 177.537 177.311 0.226 19087 5860 1 11 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.368 -0.785 19087 5861 1 11 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.879 0.494 19087 5862 1 11 . 1 1 98 98 LEU H H 98 7.855 7.855 7.832 0.023 19087 5863 1 11 . 1 1 99 99 GLY N N 99 111.931 111.931 107.377 4.554 19087 5864 1 11 . 1 1 99 99 GLY C C 99 173.997 173.997 173.859 0.138 19087 5865 1 11 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.192 1.801 19087 5866 1 11 . 1 1 99 99 GLY H H 99 8.101 8.101 7.704 0.397 19087 5867 1 11 . 1 1 100 100 ALA N N 100 121.739 121.739 121.330 0.409 19087 5868 1 11 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.554 0.183 19087 5869 1 11 . 1 1 100 100 ALA C C 100 175.351 175.351 175.942 -0.591 19087 5870 1 11 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.484 -0.078 19087 5871 1 11 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.388 2.571 19087 5872 1 11 . 1 1 100 100 ALA H H 100 8.033 8.033 7.709 0.324 19087 5873 1 11 . 1 1 101 101 ALA N N 101 122.895 122.895 123.547 -0.652 19087 5874 1 11 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.441 -0.232 19087 5875 1 11 . 1 1 101 101 ALA C C 101 175.179 175.179 176.860 -1.681 19087 5876 1 11 . 1 1 101 101 ALA CA C 101 52.737 52.737 52.020 0.717 19087 5877 1 11 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.228 0.586 19087 5878 1 11 . 1 1 101 101 ALA H H 101 7.782 7.782 8.548 -0.766 19087 5879 1 11 . 1 1 102 102 VAL N N 102 120.035 120.035 120.670 -0.635 19087 5880 1 11 . 1 1 102 102 VAL HA H 102 5.054 5.054 4.980 0.074 19087 5881 1 11 . 1 1 102 102 VAL C C 102 176.587 176.587 175.754 0.833 19087 5882 1 11 . 1 1 102 102 VAL CA C 102 60.988 60.988 61.284 -0.296 19087 5883 1 11 . 1 1 102 102 VAL CB C 102 33.725 33.725 32.291 1.434 19087 5884 1 11 . 1 1 102 102 VAL H H 102 7.872 7.872 8.316 -0.444 19087 5885 1 11 . 1 1 103 103 GLU N N 103 126.469 126.469 127.194 -0.725 19087 5886 1 11 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.629 0.250 19087 5887 1 11 . 1 1 103 103 GLU C C 103 174.343 174.343 175.238 -0.895 19087 5888 1 11 . 1 1 103 103 GLU CA C 103 54.351 54.351 53.855 0.496 19087 5889 1 11 . 1 1 103 103 GLU CB C 103 35.595 35.595 33.009 2.586 19087 5890 1 11 . 1 1 103 103 GLU H H 103 9.215 9.215 8.568 0.647 19087 5891 1 11 . 1 1 104 104 LEU N N 104 123.109 123.109 119.759 3.350 19087 5892 1 11 . 1 1 104 104 LEU HA H 104 3.591 3.591 3.865 -0.274 19087 5893 1 11 . 1 1 104 104 LEU C C 104 178.379 178.379 178.681 -0.302 19087 5894 1 11 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.447 -0.527 19087 5895 1 11 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.097 0.813 19087 5896 1 11 . 1 1 104 104 LEU H H 104 8.273 8.273 8.359 -0.086 19087 5897 1 11 . 1 1 105 105 ARG N N 105 119.790 119.790 118.329 1.461 19087 5898 1 11 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.071 0.190 19087 5899 1 11 . 1 1 105 105 ARG C C 105 177.043 177.043 176.432 0.611 19087 5900 1 11 . 1 1 105 105 ARG CA C 105 59.310 59.310 57.599 1.712 19087 5901 1 11 . 1 1 105 105 ARG CB C 105 32.077 32.077 30.085 1.992 19087 5902 1 11 . 1 1 105 105 ARG H H 105 8.300 8.300 8.106 0.194 19087 5903 1 11 . 1 1 106 106 LEU N N 106 122.431 122.431 114.878 7.553 19087 5904 1 11 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.095 0.303 19087 5905 1 11 . 1 1 106 106 LEU CA C 106 54.701 54.701 54.546 0.155 19087 5906 1 11 . 1 1 106 106 LEU CB C 106 42.469 42.469 40.999 1.470 19087 5907 1 11 . 1 1 106 106 LEU H H 106 8.026 8.026 7.761 0.265 19087 5908 1 11 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.281 -0.042 19087 5909 1 11 . 1 1 107 107 PRO C C 107 179.627 179.627 178.304 1.323 19087 5910 1 11 . 1 1 107 107 PRO CA C 107 65.898 65.898 64.960 0.938 19087 5911 1 11 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.679 -0.160 19087 5912 1 11 . 1 1 108 108 GLU N N 108 116.744 116.744 120.545 -3.801 19087 5913 1 11 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.045 0.053 19087 5914 1 11 . 1 1 108 108 GLU C C 108 176.957 176.957 178.508 -1.551 19087 5915 1 11 . 1 1 108 108 GLU CA C 108 59.584 59.584 58.946 0.638 19087 5916 1 11 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.300 0.857 19087 5917 1 11 . 1 1 108 108 GLU H H 108 9.605 9.605 8.420 1.185 19087 5918 1 11 . 1 1 109 109 LEU N N 109 116.575 116.575 117.628 -1.053 19087 5919 1 11 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.210 0.320 19087 5920 1 11 . 1 1 109 109 LEU C C 109 177.894 177.894 177.532 0.362 19087 5921 1 11 . 1 1 109 109 LEU CA C 109 53.489 53.489 55.104 -1.615 19087 5922 1 11 . 1 1 109 109 LEU CB C 109 42.241 42.241 40.019 2.222 19087 5923 1 11 . 1 1 109 109 LEU H H 109 7.630 7.630 7.534 0.096 19087 5924 1 11 . 1 1 110 110 SER N N 110 117.031 117.031 114.974 2.057 19087 5925 1 11 . 1 1 110 110 SER HA H 110 3.943 3.943 4.268 -0.325 19087 5926 1 11 . 1 1 110 110 SER C C 110 174.273 174.273 175.908 -1.635 19087 5927 1 11 . 1 1 110 110 SER CA C 110 59.543 59.543 60.931 -1.388 19087 5928 1 11 . 1 1 110 110 SER CB C 110 63.609 63.609 63.507 0.102 19087 5929 1 11 . 1 1 110 110 SER H H 110 7.757 7.757 7.539 0.218 19087 5930 1 11 . 1 1 111 111 ASP N N 111 117.804 117.804 119.720 -1.916 19087 5931 1 11 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.670 -0.088 19087 5932 1 11 . 1 1 111 111 ASP C C 111 176.760 176.760 176.545 0.215 19087 5933 1 11 . 1 1 111 111 ASP CA C 111 53.976 53.976 55.462 -1.486 19087 5934 1 11 . 1 1 111 111 ASP CB C 111 40.183 40.183 42.002 -1.819 19087 5935 1 11 . 1 1 111 111 ASP H H 111 8.315 8.315 7.717 0.598 19087 5936 1 11 . 1 1 112 112 GLN N N 112 119.300 119.300 119.849 -0.549 19087 5937 1 11 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.520 -0.220 19087 5938 1 11 . 1 1 112 112 GLN CA C 112 55.014 55.014 53.866 1.148 19087 5939 1 11 . 1 1 112 112 GLN CB C 112 26.568 26.568 28.335 -1.767 19087 5940 1 11 . 1 1 112 112 GLN H H 112 7.212 7.212 7.407 -0.195 19087 5941 1 11 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.341 0.186 19087 5942 1 11 . 1 1 114 114 PRO C C 114 175.464 175.464 176.678 -1.214 19087 5943 1 11 . 1 1 114 114 PRO CA C 114 64.069 64.069 62.769 1.300 19087 5944 1 11 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.471 -0.024 19087 5945 1 11 . 1 1 115 115 GLY N N 115 113.817 113.817 108.957 4.860 19087 5946 1 11 . 1 1 115 115 GLY C C 115 173.552 173.552 173.139 0.413 19087 5947 1 11 . 1 1 115 115 GLY CA C 115 43.953 43.953 45.129 -1.176 19087 5948 1 11 . 1 1 115 115 GLY H H 115 8.443 8.443 7.682 0.761 19087 5949 1 11 . 1 1 116 116 VAL N N 116 122.049 122.049 122.814 -0.765 19087 5950 1 11 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.420 -0.289 19087 5951 1 11 . 1 1 116 116 VAL C C 116 174.533 174.533 175.335 -0.802 19087 5952 1 11 . 1 1 116 116 VAL CA C 116 63.916 63.916 63.655 0.261 19087 5953 1 11 . 1 1 116 116 VAL CB C 116 32.342 32.342 31.950 0.393 19087 5954 1 11 . 1 1 116 116 VAL H H 116 8.957 8.957 8.298 0.659 19087 5955 1 11 . 1 1 117 117 ILE N N 117 126.102 126.102 125.079 1.023 19087 5956 1 11 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.437 -0.498 19087 5957 1 11 . 1 1 117 117 ILE C C 117 174.181 174.181 174.724 -0.543 19087 5958 1 11 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.752 1.317 19087 5959 1 11 . 1 1 117 117 ILE CB C 117 42.368 42.368 40.732 1.636 19087 5960 1 11 . 1 1 117 117 ILE H H 117 7.863 7.863 8.661 -0.798 19087 5961 1 11 . 1 1 118 118 VAL N N 118 127.665 127.665 128.126 -0.461 19087 5962 1 11 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.243 0.681 19087 5963 1 11 . 1 1 118 118 VAL C C 118 175.224 175.224 174.715 0.509 19087 5964 1 11 . 1 1 118 118 VAL CA C 118 60.580 60.580 61.597 -1.017 19087 5965 1 11 . 1 1 118 118 VAL CB C 118 33.945 33.945 32.132 1.813 19087 5966 1 11 . 1 1 118 118 VAL H H 118 9.348 9.348 8.863 0.485 19087 5967 1 11 . 1 1 119 119 VAL N N 119 121.828 121.828 129.251 -7.423 19087 5968 1 11 . 1 1 119 119 VAL HA H 119 5.563 5.563 4.286 1.277 19087 5969 1 11 . 1 1 119 119 VAL C C 119 174.425 174.425 175.297 -0.872 19087 5970 1 11 . 1 1 119 119 VAL CA C 119 58.691 58.691 60.950 -2.259 19087 5971 1 11 . 1 1 119 119 VAL CB C 119 32.886 32.886 32.294 0.592 19087 5972 1 11 . 1 1 119 119 VAL H H 119 9.096 9.096 8.523 0.573 19087 5973 1 11 . 1 1 120 120 VAL N N 120 120.260 120.260 128.271 -8.011 19087 5974 1 11 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.269 0.549 19087 5975 1 11 . 1 1 120 120 VAL C C 120 175.649 175.649 175.191 0.458 19087 5976 1 11 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.371 0.260 19087 5977 1 11 . 1 1 120 120 VAL CB C 120 34.550 34.550 33.300 1.250 19087 5978 1 11 . 1 1 120 120 VAL H H 120 8.809 8.809 8.378 0.431 19087 5979 1 11 . 1 1 121 121 THR N N 121 114.564 114.564 121.842 -7.278 19087 5980 1 11 . 1 1 121 121 THR HA H 121 4.428 4.428 4.126 0.302 19087 5981 1 11 . 1 1 121 121 THR C C 121 173.833 173.833 174.940 -1.107 19087 5982 1 11 . 1 1 121 121 THR CA C 121 60.834 60.834 63.472 -2.639 19087 5983 1 11 . 1 1 121 121 THR CB C 121 69.413 69.413 68.834 0.579 19087 5984 1 11 . 1 1 121 121 THR H H 121 7.859 7.859 8.494 -0.635 19087 5985 1 12 . 1 1 6 6 SER C C 6 174.665 174.665 175.091 -0.426 19087 5986 1 12 . 1 1 6 6 SER CA C 6 58.745 58.745 58.277 0.468 19087 5987 1 12 . 1 1 6 6 SER CB C 6 63.870 63.870 64.807 -0.937 19087 5988 1 12 . 1 1 7 7 GLU N N 7 122.278 122.278 122.707 -0.429 19087 5989 1 12 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.170 0.558 19087 5990 1 12 . 1 1 7 7 GLU C C 7 176.279 176.279 177.126 -0.847 19087 5991 1 12 . 1 1 7 7 GLU CA C 7 56.894 56.894 57.937 -1.043 19087 5992 1 12 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.453 0.756 19087 5993 1 12 . 1 1 7 7 GLU H H 7 8.475 8.475 8.555 -0.080 19087 5994 1 12 . 1 1 8 8 ASP N N 8 120.753 120.753 119.479 1.274 19087 5995 1 12 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.373 0.336 19087 5996 1 12 . 1 1 8 8 ASP C C 8 176.070 176.070 176.770 -0.700 19087 5997 1 12 . 1 1 8 8 ASP CA C 8 54.366 54.366 55.130 -0.764 19087 5998 1 12 . 1 1 8 8 ASP CB C 8 41.459 41.459 40.686 0.773 19087 5999 1 12 . 1 1 8 8 ASP H H 8 8.206 8.206 8.263 -0.057 19087 6000 1 12 . 1 1 9 9 ASP N N 9 121.430 121.430 119.254 2.176 19087 6001 1 12 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.383 0.320 19087 6002 1 12 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.960 -0.516 19087 6003 1 12 . 1 1 9 9 ASP CB C 9 41.220 41.220 41.269 -0.049 19087 6004 1 12 . 1 1 9 9 ASP H H 9 8.256 8.256 8.023 0.233 19087 6005 1 12 . 1 1 11 11 SER C C 11 174.517 174.517 173.093 1.424 19087 6006 1 12 . 1 1 11 11 SER CA C 11 59.364 59.364 58.079 1.285 19087 6007 1 12 . 1 1 11 11 SER CB C 11 63.989 63.989 64.389 -0.400 19087 6008 1 12 . 1 1 12 12 ALA N N 12 125.500 125.500 123.927 1.573 19087 6009 1 12 . 1 1 12 12 ALA HA H 12 4.356 4.356 5.164 -0.808 19087 6010 1 12 . 1 1 12 12 ALA C C 12 177.811 177.811 175.650 2.161 19087 6011 1 12 . 1 1 12 12 ALA CA C 12 52.815 52.815 51.226 1.589 19087 6012 1 12 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.824 -1.620 19087 6013 1 12 . 1 1 12 12 ALA H H 12 8.087 8.087 8.838 -0.751 19087 6014 1 12 . 1 1 13 13 ILE N N 13 119.045 119.045 120.978 -1.933 19087 6015 1 12 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.900 -0.707 19087 6016 1 12 . 1 1 13 13 ILE CA C 13 61.163 61.163 60.555 0.608 19087 6017 1 12 . 1 1 13 13 ILE CB C 13 38.721 38.721 40.158 -1.437 19087 6018 1 12 . 1 1 13 13 ILE H H 13 7.938 7.938 8.957 -1.019 19087 6019 1 12 . 1 1 14 14 SER N N 14 119.662 119.662 120.827 -1.165 19087 6020 1 12 . 1 1 14 14 SER H H 14 8.339 8.339 8.782 -0.443 19087 6021 1 12 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.610 -0.324 19087 6022 1 12 . 1 1 21 21 ALA C C 21 177.013 177.013 176.327 0.686 19087 6023 1 12 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.942 -0.357 19087 6024 1 12 . 1 1 21 21 ALA CB C 21 19.339 19.339 19.768 -0.429 19087 6025 1 12 . 1 1 22 22 ALA N N 22 124.579 124.579 127.723 -3.144 19087 6026 1 12 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.619 0.106 19087 6027 1 12 . 1 1 22 22 ALA CA C 22 50.310 50.310 50.615 -0.305 19087 6028 1 12 . 1 1 22 22 ALA CB C 22 18.232 18.232 18.601 -0.369 19087 6029 1 12 . 1 1 22 22 ALA H H 22 8.182 8.182 8.526 -0.344 19087 6030 1 12 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.252 -0.117 19087 6031 1 12 . 1 1 28 28 VAL C C 28 175.779 175.779 175.314 0.465 19087 6032 1 12 . 1 1 28 28 VAL CA C 28 62.167 62.167 62.174 -0.007 19087 6033 1 12 . 1 1 28 28 VAL CB C 28 32.681 32.681 32.829 -0.148 19087 6034 1 12 . 1 1 29 29 LYS N N 29 126.858 126.858 126.962 -0.104 19087 6035 1 12 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.660 0.052 19087 6036 1 12 . 1 1 29 29 LYS CA C 29 54.135 54.135 53.989 0.146 19087 6037 1 12 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.895 -0.249 19087 6038 1 12 . 1 1 29 29 LYS H H 29 8.346 8.346 8.406 -0.060 19087 6039 1 12 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.443 -0.041 19087 6040 1 12 . 1 1 30 30 PRO C C 30 176.435 176.435 176.073 0.362 19087 6041 1 12 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.899 -0.123 19087 6042 1 12 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.257 -0.103 19087 6043 1 12 . 1 1 31 31 ALA N N 31 124.680 124.680 125.110 -0.430 19087 6044 1 12 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.372 -0.025 19087 6045 1 12 . 1 1 31 31 ALA C C 31 176.860 176.860 176.423 0.437 19087 6046 1 12 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.985 0.331 19087 6047 1 12 . 1 1 31 31 ALA CB C 31 19.398 19.398 19.386 0.012 19087 6048 1 12 . 1 1 31 31 ALA H H 31 8.324 8.324 8.423 -0.099 19087 6049 1 12 . 1 1 32 32 ALA N N 32 125.011 125.011 123.215 1.796 19087 6050 1 12 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.661 0.075 19087 6051 1 12 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.201 0.286 19087 6052 1 12 . 1 1 32 32 ALA CB C 32 18.203 18.203 19.598 -1.395 19087 6053 1 12 . 1 1 32 32 ALA H H 32 8.246 8.246 8.327 -0.081 19087 6054 1 12 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.575 -0.109 19087 6055 1 12 . 1 1 33 33 PRO C C 33 176.834 176.834 176.701 0.133 19087 6056 1 12 . 1 1 33 33 PRO CA C 33 62.825 62.825 63.321 -0.496 19087 6057 1 12 . 1 1 33 33 PRO CB C 33 31.995 31.995 31.877 0.118 19087 6058 1 12 . 1 1 34 34 ARG N N 34 121.170 121.170 123.561 -2.391 19087 6059 1 12 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.411 -0.025 19087 6060 1 12 . 1 1 34 34 ARG C C 34 175.853 175.853 176.072 -0.219 19087 6061 1 12 . 1 1 34 34 ARG CA C 34 55.912 55.912 56.312 -0.400 19087 6062 1 12 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.437 0.235 19087 6063 1 12 . 1 1 34 34 ARG H H 34 8.349 8.349 8.847 -0.498 19087 6064 1 12 . 1 1 35 35 ALA N N 35 124.878 124.878 119.025 5.853 19087 6065 1 12 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.515 0.097 19087 6066 1 12 . 1 1 35 35 ALA C C 35 176.170 176.170 175.090 1.080 19087 6067 1 12 . 1 1 35 35 ALA CA C 35 51.566 51.566 51.033 0.533 19087 6068 1 12 . 1 1 35 35 ALA CB C 35 20.722 20.722 20.930 -0.208 19087 6069 1 12 . 1 1 35 35 ALA H H 35 8.008 8.008 7.765 0.243 19087 6070 1 12 . 1 1 36 36 GLU N N 36 119.776 119.776 121.230 -1.454 19087 6071 1 12 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.831 -0.400 19087 6072 1 12 . 1 1 36 36 GLU C C 36 174.618 174.618 175.739 -1.121 19087 6073 1 12 . 1 1 36 36 GLU CA C 36 56.472 56.472 55.659 0.813 19087 6074 1 12 . 1 1 36 36 GLU CB C 36 31.124 31.124 30.649 0.475 19087 6075 1 12 . 1 1 36 36 GLU H H 36 8.495 8.495 8.750 -0.255 19087 6076 1 12 . 1 1 37 37 VAL N N 37 119.808 119.808 125.846 -6.038 19087 6077 1 12 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.585 0.317 19087 6078 1 12 . 1 1 37 37 VAL C C 37 174.285 174.285 174.555 -0.270 19087 6079 1 12 . 1 1 37 37 VAL CA C 37 60.639 60.639 60.871 -0.232 19087 6080 1 12 . 1 1 37 37 VAL CB C 37 34.612 34.612 33.917 0.695 19087 6081 1 12 . 1 1 37 37 VAL H H 37 8.494 8.494 8.897 -0.403 19087 6082 1 12 . 1 1 38 38 ARG N N 38 124.534 124.534 125.135 -0.601 19087 6083 1 12 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.212 -0.286 19087 6084 1 12 . 1 1 38 38 ARG C C 38 174.239 174.239 175.001 -0.762 19087 6085 1 12 . 1 1 38 38 ARG CA C 38 55.092 55.092 54.602 0.489 19087 6086 1 12 . 1 1 38 38 ARG CB C 38 34.190 34.190 32.404 1.786 19087 6087 1 12 . 1 1 38 38 ARG H H 38 8.652 8.652 8.898 -0.246 19087 6088 1 12 . 1 1 39 39 VAL N N 39 121.231 121.231 125.517 -4.286 19087 6089 1 12 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.810 -0.012 19087 6090 1 12 . 1 1 39 39 VAL C C 39 173.357 173.357 175.031 -1.674 19087 6091 1 12 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.420 -0.783 19087 6092 1 12 . 1 1 39 39 VAL CB C 39 34.294 34.294 32.815 1.479 19087 6093 1 12 . 1 1 39 39 VAL H H 39 7.934 7.934 8.827 -0.893 19087 6094 1 12 . 1 1 40 40 TYR N N 40 122.262 122.262 122.221 0.041 19087 6095 1 12 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.249 -0.095 19087 6096 1 12 . 1 1 40 40 TYR C C 40 175.124 175.124 173.118 2.006 19087 6097 1 12 . 1 1 40 40 TYR CA C 40 55.540 55.540 55.581 -0.041 19087 6098 1 12 . 1 1 40 40 TYR CB C 40 42.223 42.223 40.926 1.297 19087 6099 1 12 . 1 1 40 40 TYR H H 40 9.343 9.343 8.807 0.536 19087 6100 1 12 . 1 1 41 41 ASN N N 41 121.684 121.684 119.555 2.129 19087 6101 1 12 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.389 -0.357 19087 6102 1 12 . 1 1 41 41 ASN C C 41 176.301 176.301 175.019 1.282 19087 6103 1 12 . 1 1 41 41 ASN CA C 41 52.635 52.635 51.401 1.234 19087 6104 1 12 . 1 1 41 41 ASN CB C 41 39.836 39.836 41.438 -1.603 19087 6105 1 12 . 1 1 41 41 ASN H H 41 9.287 9.287 8.418 0.870 19087 6106 1 12 . 1 1 42 42 ILE N N 42 119.462 119.462 124.318 -4.856 19087 6107 1 12 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.892 0.558 19087 6108 1 12 . 1 1 42 42 ILE C C 42 176.450 176.450 175.108 1.342 19087 6109 1 12 . 1 1 42 42 ILE CA C 42 60.513 60.513 60.250 0.263 19087 6110 1 12 . 1 1 42 42 ILE CB C 42 38.597 38.597 37.821 0.776 19087 6111 1 12 . 1 1 42 42 ILE H H 42 8.541 8.541 8.594 -0.053 19087 6112 1 12 . 1 1 43 43 SER N N 43 118.212 118.212 115.079 3.133 19087 6113 1 12 . 1 1 43 43 SER HA H 43 4.729 4.729 4.741 -0.012 19087 6114 1 12 . 1 1 43 43 SER CA C 43 58.598 58.598 57.556 1.042 19087 6115 1 12 . 1 1 43 43 SER CB C 43 66.262 66.262 65.244 1.018 19087 6116 1 12 . 1 1 43 43 SER H H 43 8.142 8.142 8.190 -0.048 19087 6117 1 12 . 1 1 44 44 GLY C C 44 174.414 174.414 173.847 0.567 19087 6118 1 12 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.929 -0.550 19087 6119 1 12 . 1 1 45 45 THR N N 45 116.371 116.371 118.133 -1.762 19087 6120 1 12 . 1 1 45 45 THR HA H 45 4.384 4.384 4.422 -0.038 19087 6121 1 12 . 1 1 45 45 THR CA C 45 61.814 61.814 61.825 -0.011 19087 6122 1 12 . 1 1 45 45 THR CB C 45 69.787 69.787 68.909 0.878 19087 6123 1 12 . 1 1 45 45 THR H H 45 8.298 8.298 7.923 0.375 19087 6124 1 12 . 1 1 47 47 GLY C C 47 175.691 175.691 175.348 0.343 19087 6125 1 12 . 1 1 47 47 GLY CA C 47 46.191 46.191 45.743 0.448 19087 6126 1 12 . 1 1 48 48 ALA N N 48 121.957 121.957 123.734 -1.777 19087 6127 1 12 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.187 -0.158 19087 6128 1 12 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.159 1.243 19087 6129 1 12 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.398 0.094 19087 6130 1 12 . 1 1 48 48 ALA H H 48 7.511 7.511 8.041 -0.530 19087 6131 1 12 . 1 1 49 49 ALA HA H 49 3.984 3.984 4.024 -0.040 19087 6132 1 12 . 1 1 49 49 ALA C C 49 178.073 178.073 179.178 -1.105 19087 6133 1 12 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.622 0.239 19087 6134 1 12 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.418 0.271 19087 6135 1 12 . 1 1 50 50 ALA N N 50 122.654 122.654 119.557 3.097 19087 6136 1 12 . 1 1 50 50 ALA HA H 50 3.989 3.989 4.012 -0.023 19087 6137 1 12 . 1 1 50 50 ALA C C 50 179.642 179.642 179.045 0.597 19087 6138 1 12 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.719 1.132 19087 6139 1 12 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.197 -0.409 19087 6140 1 12 . 1 1 50 50 ALA H H 50 7.965 7.965 7.516 0.449 19087 6141 1 12 . 1 1 51 51 ARG N N 51 116.659 116.659 117.581 -0.922 19087 6142 1 12 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.140 0.051 19087 6143 1 12 . 1 1 51 51 ARG C C 51 179.931 179.931 178.235 1.696 19087 6144 1 12 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.931 0.581 19087 6145 1 12 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.827 0.636 19087 6146 1 12 . 1 1 51 51 ARG H H 51 7.982 7.982 7.683 0.299 19087 6147 1 12 . 1 1 52 52 THR N N 52 117.745 117.745 113.507 4.238 19087 6148 1 12 . 1 1 52 52 THR HA H 52 4.162 4.162 4.133 0.029 19087 6149 1 12 . 1 1 52 52 THR C C 52 175.626 175.626 176.409 -0.783 19087 6150 1 12 . 1 1 52 52 THR CA C 52 68.565 68.565 65.555 3.010 19087 6151 1 12 . 1 1 52 52 THR CB C 52 70.787 70.787 68.340 2.447 19087 6152 1 12 . 1 1 52 52 THR H H 52 7.661 7.661 7.504 0.157 19087 6153 1 12 . 1 1 53 53 ALA N N 53 123.939 123.939 124.096 -0.157 19087 6154 1 12 . 1 1 53 53 ALA HA H 53 3.886 3.886 3.977 -0.091 19087 6155 1 12 . 1 1 53 53 ALA C C 53 179.013 179.013 178.622 0.391 19087 6156 1 12 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.277 1.920 19087 6157 1 12 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.287 0.430 19087 6158 1 12 . 1 1 53 53 ALA H H 53 8.805 8.805 8.074 0.731 19087 6159 1 12 . 1 1 54 54 ASP N N 54 118.351 118.351 119.044 -0.693 19087 6160 1 12 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.286 0.146 19087 6161 1 12 . 1 1 54 54 ASP C C 54 179.376 179.376 178.000 1.376 19087 6162 1 12 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.701 0.306 19087 6163 1 12 . 1 1 54 54 ASP CB C 54 40.242 40.242 40.957 -0.715 19087 6164 1 12 . 1 1 54 54 ASP H H 54 8.327 8.327 7.972 0.355 19087 6165 1 12 . 1 1 55 55 ARG N N 55 121.120 121.120 118.808 2.312 19087 6166 1 12 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.199 -0.024 19087 6167 1 12 . 1 1 55 55 ARG C C 55 179.550 179.550 178.570 0.980 19087 6168 1 12 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.636 0.649 19087 6169 1 12 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.288 0.032 19087 6170 1 12 . 1 1 55 55 ARG H H 55 7.723 7.723 7.530 0.193 19087 6171 1 12 . 1 1 56 56 LEU N N 56 118.659 118.659 120.517 -1.858 19087 6172 1 12 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.258 0.074 19087 6173 1 12 . 1 1 56 56 LEU C C 56 179.305 179.305 178.441 0.864 19087 6174 1 12 . 1 1 56 56 LEU CA C 56 57.437 57.437 58.361 -0.924 19087 6175 1 12 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.772 -0.485 19087 6176 1 12 . 1 1 56 56 LEU H H 56 8.215 8.215 7.682 0.533 19087 6177 1 12 . 1 1 57 57 LYS N N 57 122.713 122.713 120.046 2.667 19087 6178 1 12 . 1 1 57 57 LYS HA H 57 4.513 4.513 4.066 0.447 19087 6179 1 12 . 1 1 57 57 LYS C C 57 181.436 181.436 178.523 2.913 19087 6180 1 12 . 1 1 57 57 LYS CA C 57 60.004 60.004 59.393 0.611 19087 6181 1 12 . 1 1 57 57 LYS CB C 57 32.437 32.437 32.471 -0.034 19087 6182 1 12 . 1 1 57 57 LYS H H 57 8.914 8.914 7.793 1.121 19087 6183 1 12 . 1 1 58 58 ALA N N 58 122.423 122.423 120.680 1.743 19087 6184 1 12 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.222 -0.012 19087 6185 1 12 . 1 1 58 58 ALA C C 58 178.516 178.516 179.190 -0.674 19087 6186 1 12 . 1 1 58 58 ALA CA C 58 55.069 55.069 54.286 0.783 19087 6187 1 12 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.340 -0.430 19087 6188 1 12 . 1 1 58 58 ALA H H 58 8.026 8.026 7.489 0.537 19087 6189 1 12 . 1 1 59 59 ALA N N 59 118.347 118.347 119.272 -0.925 19087 6190 1 12 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.203 0.283 19087 6191 1 12 . 1 1 59 59 ALA C C 59 176.797 176.797 177.434 -0.637 19087 6192 1 12 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.257 -0.499 19087 6193 1 12 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.196 0.173 19087 6194 1 12 . 1 1 59 59 ALA H H 59 7.413 7.413 7.869 -0.456 19087 6195 1 12 . 1 1 60 60 GLY N N 60 104.918 104.918 105.179 -0.261 19087 6196 1 12 . 1 1 60 60 GLY C C 60 174.741 174.741 173.893 0.848 19087 6197 1 12 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.529 0.707 19087 6198 1 12 . 1 1 60 60 GLY H H 60 7.694 7.694 7.411 0.283 19087 6199 1 12 . 1 1 61 61 PHE N N 61 118.862 118.862 120.296 -1.434 19087 6200 1 12 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.464 0.031 19087 6201 1 12 . 1 1 61 61 PHE C C 61 175.204 175.204 177.033 -1.829 19087 6202 1 12 . 1 1 61 61 PHE CA C 61 58.483 58.483 58.278 0.205 19087 6203 1 12 . 1 1 61 61 PHE CB C 61 39.163 39.163 39.007 0.156 19087 6204 1 12 . 1 1 61 61 PHE H H 61 7.879 7.879 7.844 0.035 19087 6205 1 12 . 1 1 62 62 THR N N 62 121.319 121.319 117.357 3.962 19087 6206 1 12 . 1 1 62 62 THR HA H 62 4.303 4.303 4.200 0.103 19087 6207 1 12 . 1 1 62 62 THR C C 62 173.073 173.073 174.632 -1.559 19087 6208 1 12 . 1 1 62 62 THR CA C 62 69.389 69.389 65.812 3.577 19087 6209 1 12 . 1 1 62 62 THR CB C 62 62.478 62.478 69.390 -6.912 19087 6210 1 12 . 1 1 62 62 THR H H 62 9.493 9.493 8.341 1.152 19087 6211 1 12 . 1 1 63 63 VAL N N 63 128.406 128.406 120.921 7.485 19087 6212 1 12 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.384 0.276 19087 6213 1 12 . 1 1 63 63 VAL C C 63 177.267 177.267 174.113 3.154 19087 6214 1 12 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.458 -1.359 19087 6215 1 12 . 1 1 63 63 VAL CB C 63 32.572 32.572 34.932 -2.360 19087 6216 1 12 . 1 1 63 63 VAL H H 63 8.293 8.293 7.450 0.843 19087 6217 1 12 . 1 1 64 64 THR N N 64 118.495 118.495 116.993 1.502 19087 6218 1 12 . 1 1 64 64 THR HA H 64 4.350 4.350 5.160 -0.810 19087 6219 1 12 . 1 1 64 64 THR CA C 64 62.182 62.182 60.174 2.008 19087 6220 1 12 . 1 1 64 64 THR CB C 64 69.143 69.143 70.156 -1.013 19087 6221 1 12 . 1 1 64 64 THR H H 64 8.770 8.770 8.513 0.257 19087 6222 1 12 . 1 1 65 65 ASP HA H 65 4.301 4.301 5.041 -0.740 19087 6223 1 12 . 1 1 65 65 ASP C C 65 173.778 173.778 174.778 -1.000 19087 6224 1 12 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.887 0.400 19087 6225 1 12 . 1 1 65 65 ASP CB C 65 44.018 44.018 43.853 0.165 19087 6226 1 12 . 1 1 66 66 VAL N N 66 121.705 121.705 116.587 5.118 19087 6227 1 12 . 1 1 66 66 VAL HA H 66 4.863 4.863 5.590 -0.727 19087 6228 1 12 . 1 1 66 66 VAL C C 66 176.234 176.234 175.351 0.883 19087 6229 1 12 . 1 1 66 66 VAL CA C 66 60.597 60.597 59.413 1.185 19087 6230 1 12 . 1 1 66 66 VAL CB C 66 34.120 34.120 35.247 -1.127 19087 6231 1 12 . 1 1 66 66 VAL H H 66 7.849 7.849 8.338 -0.489 19087 6232 1 12 . 1 1 67 67 GLY N N 67 112.050 112.050 112.475 -0.425 19087 6233 1 12 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.652 -0.034 19087 6234 1 12 . 1 1 67 67 GLY H H 67 8.151 8.151 8.691 -0.540 19087 6235 1 12 . 1 1 68 68 ASN C C 68 173.771 173.771 173.767 0.004 19087 6236 1 12 . 1 1 68 68 ASN CA C 68 53.062 53.062 53.012 0.050 19087 6237 1 12 . 1 1 68 68 ASN CB C 68 39.832 39.832 41.329 -1.497 19087 6238 1 12 . 1 1 69 69 LEU N N 69 121.003 121.003 122.452 -1.449 19087 6239 1 12 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.805 -0.268 19087 6240 1 12 . 1 1 69 69 LEU C C 69 174.751 174.751 176.787 -2.036 19087 6241 1 12 . 1 1 69 69 LEU CA C 69 53.925 53.925 53.157 0.768 19087 6242 1 12 . 1 1 69 69 LEU CB C 69 47.313 47.313 44.749 2.564 19087 6243 1 12 . 1 1 69 69 LEU H H 69 8.276 8.276 8.674 -0.398 19087 6244 1 12 . 1 1 70 70 SER N N 70 116.269 116.269 116.308 -0.039 19087 6245 1 12 . 1 1 70 70 SER C C 70 173.777 173.777 174.584 -0.807 19087 6246 1 12 . 1 1 70 70 SER CA C 70 56.923 56.923 58.202 -1.279 19087 6247 1 12 . 1 1 70 70 SER CB C 70 63.219 63.219 63.586 -0.367 19087 6248 1 12 . 1 1 70 70 SER H H 70 8.122 8.122 8.345 -0.223 19087 6249 1 12 . 1 1 71 71 LEU N N 71 127.999 127.999 126.065 1.934 19087 6250 1 12 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.346 0.410 19087 6251 1 12 . 1 1 71 71 LEU CA C 71 52.165 52.165 55.070 -2.905 19087 6252 1 12 . 1 1 71 71 LEU CB C 71 44.179 44.179 40.814 3.365 19087 6253 1 12 . 1 1 71 71 LEU H H 71 8.293 8.293 8.637 -0.344 19087 6254 1 12 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.443 -0.083 19087 6255 1 12 . 1 1 72 72 PRO C C 72 176.922 176.922 176.949 -0.027 19087 6256 1 12 . 1 1 72 72 PRO CA C 72 64.244 64.244 63.856 0.388 19087 6257 1 12 . 1 1 72 72 PRO CB C 72 32.466 32.466 32.490 -0.024 19087 6258 1 12 . 1 1 73 73 ASP N N 73 115.106 115.106 117.657 -2.551 19087 6259 1 12 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.558 0.000 19087 6260 1 12 . 1 1 73 73 ASP C C 73 175.809 175.809 174.984 0.825 19087 6261 1 12 . 1 1 73 73 ASP CA C 73 55.145 55.145 53.866 1.279 19087 6262 1 12 . 1 1 73 73 ASP CB C 73 40.778 40.778 41.072 -0.294 19087 6263 1 12 . 1 1 73 73 ASP H H 73 8.431 8.431 8.602 -0.171 19087 6264 1 12 . 1 1 74 74 VAL N N 74 122.218 122.218 118.350 3.868 19087 6265 1 12 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.306 -0.340 19087 6266 1 12 . 1 1 74 74 VAL C C 74 175.339 175.339 173.786 1.553 19087 6267 1 12 . 1 1 74 74 VAL CA C 74 63.871 63.871 61.592 2.279 19087 6268 1 12 . 1 1 74 74 VAL CB C 74 32.075 32.075 34.782 -2.708 19087 6269 1 12 . 1 1 74 74 VAL H H 74 7.468 7.468 7.503 -0.035 19087 6270 1 12 . 1 1 75 75 ALA N N 75 128.630 128.630 128.770 -0.140 19087 6271 1 12 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.619 -0.194 19087 6272 1 12 . 1 1 75 75 ALA C C 75 176.404 176.404 175.806 0.598 19087 6273 1 12 . 1 1 75 75 ALA CA C 75 52.427 52.427 51.853 0.573 19087 6274 1 12 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.412 1.060 19087 6275 1 12 . 1 1 75 75 ALA H H 75 8.581 8.581 8.566 0.015 19087 6276 1 12 . 1 1 76 76 ALA N N 76 120.481 120.481 122.034 -1.553 19087 6277 1 12 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.556 0.101 19087 6278 1 12 . 1 1 76 76 ALA C C 76 175.925 175.925 176.663 -0.738 19087 6279 1 12 . 1 1 76 76 ALA CA C 76 50.995 50.995 50.569 0.426 19087 6280 1 12 . 1 1 76 76 ALA CB C 76 22.365 22.365 20.782 1.583 19087 6281 1 12 . 1 1 76 76 ALA H H 76 7.438 7.438 7.646 -0.208 19087 6282 1 12 . 1 1 77 77 THR N N 77 121.464 121.464 118.389 3.075 19087 6283 1 12 . 1 1 77 77 THR HA H 77 4.734 4.734 4.384 0.350 19087 6284 1 12 . 1 1 77 77 THR C C 77 174.143 174.143 173.616 0.527 19087 6285 1 12 . 1 1 77 77 THR CA C 77 63.914 63.914 61.672 2.243 19087 6286 1 12 . 1 1 77 77 THR CB C 77 70.070 70.070 68.177 1.893 19087 6287 1 12 . 1 1 77 77 THR H H 77 8.390 8.390 8.485 -0.095 19087 6288 1 12 . 1 1 78 78 THR N N 78 123.538 123.538 120.222 3.316 19087 6289 1 12 . 1 1 78 78 THR HA H 78 4.644 4.644 4.672 -0.028 19087 6290 1 12 . 1 1 78 78 THR C C 78 181.684 181.684 172.614 9.070 19087 6291 1 12 . 1 1 78 78 THR CA C 78 62.511 62.511 60.460 2.051 19087 6292 1 12 . 1 1 78 78 THR CB C 78 72.846 72.846 72.008 0.838 19087 6293 1 12 . 1 1 78 78 THR H H 78 8.355 8.355 8.196 0.159 19087 6294 1 12 . 1 1 79 79 VAL N N 79 126.455 126.455 124.829 1.626 19087 6295 1 12 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.195 0.401 19087 6296 1 12 . 1 1 79 79 VAL C C 79 173.702 173.702 174.449 -0.747 19087 6297 1 12 . 1 1 79 79 VAL CA C 79 60.385 60.385 62.248 -1.863 19087 6298 1 12 . 1 1 79 79 VAL CB C 79 33.089 33.089 32.105 0.984 19087 6299 1 12 . 1 1 79 79 VAL H H 79 8.685 8.685 8.298 0.387 19087 6300 1 12 . 1 1 80 80 TYR N N 80 123.574 123.574 127.731 -4.157 19087 6301 1 12 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.658 0.742 19087 6302 1 12 . 1 1 80 80 TYR C C 80 176.410 176.410 175.504 0.906 19087 6303 1 12 . 1 1 80 80 TYR CA C 80 56.608 56.608 54.998 1.610 19087 6304 1 12 . 1 1 80 80 TYR CB C 80 42.567 42.567 40.323 2.244 19087 6305 1 12 . 1 1 80 80 TYR H H 80 9.702 9.702 8.748 0.954 19087 6306 1 12 . 1 1 81 81 TYR N N 81 117.754 117.754 116.930 0.824 19087 6307 1 12 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.254 0.220 19087 6308 1 12 . 1 1 81 81 TYR C C 81 173.237 173.237 174.630 -1.393 19087 6309 1 12 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.553 -0.055 19087 6310 1 12 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.779 1.470 19087 6311 1 12 . 1 1 81 81 TYR H H 81 8.221 8.221 8.475 -0.254 19087 6312 1 12 . 1 1 82 82 THR N N 82 111.056 111.056 117.484 -6.428 19087 6313 1 12 . 1 1 82 82 THR HA H 82 4.724 4.724 4.357 0.367 19087 6314 1 12 . 1 1 82 82 THR C C 82 174.521 174.521 174.305 0.216 19087 6315 1 12 . 1 1 82 82 THR CA C 82 60.896 60.896 62.230 -1.334 19087 6316 1 12 . 1 1 82 82 THR CB C 82 71.506 71.506 69.771 1.735 19087 6317 1 12 . 1 1 82 82 THR H H 82 8.245 8.245 8.286 -0.041 19087 6318 1 12 . 1 1 83 83 GLU N N 83 117.058 117.058 118.941 -1.883 19087 6319 1 12 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.554 -0.077 19087 6320 1 12 . 1 1 83 83 GLU C C 83 176.152 176.152 176.143 0.009 19087 6321 1 12 . 1 1 83 83 GLU CA C 83 57.179 57.179 55.428 1.751 19087 6322 1 12 . 1 1 83 83 GLU CB C 83 28.714 28.714 29.833 -1.119 19087 6323 1 12 . 1 1 83 83 GLU H H 83 8.772 8.772 8.541 0.231 19087 6324 1 12 . 1 1 84 84 VAL N N 84 123.039 123.039 122.353 0.686 19087 6325 1 12 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.914 -0.020 19087 6326 1 12 . 1 1 84 84 VAL C C 84 177.170 177.170 176.303 0.867 19087 6327 1 12 . 1 1 84 84 VAL CA C 84 63.678 63.678 63.739 -0.061 19087 6328 1 12 . 1 1 84 84 VAL CB C 84 32.474 32.474 30.283 2.191 19087 6329 1 12 . 1 1 84 84 VAL H H 84 7.818 7.818 7.833 -0.015 19087 6330 1 12 . 1 1 85 85 GLU N N 85 129.351 129.351 127.615 1.736 19087 6331 1 12 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.902 -0.010 19087 6332 1 12 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.752 0.253 19087 6333 1 12 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.944 0.580 19087 6334 1 12 . 1 1 85 85 GLU H H 85 8.796 8.796 9.035 -0.239 19087 6335 1 12 . 1 1 86 86 GLY C C 86 176.321 176.321 174.851 1.470 19087 6336 1 12 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.113 0.763 19087 6337 1 12 . 1 1 87 87 GLU N N 87 121.773 121.773 122.274 -0.501 19087 6338 1 12 . 1 1 87 87 GLU HA H 87 3.948 3.948 4.061 -0.113 19087 6339 1 12 . 1 1 87 87 GLU C C 87 178.276 178.276 178.084 0.192 19087 6340 1 12 . 1 1 87 87 GLU CA C 87 61.762 61.762 59.038 2.724 19087 6341 1 12 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.916 0.180 19087 6342 1 12 . 1 1 87 87 GLU H H 87 8.133 8.133 7.922 0.211 19087 6343 1 12 . 1 1 88 88 ARG N N 88 121.466 121.466 119.060 2.406 19087 6344 1 12 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.164 0.198 19087 6345 1 12 . 1 1 88 88 ARG C C 88 177.229 177.229 177.936 -0.707 19087 6346 1 12 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.773 0.720 19087 6347 1 12 . 1 1 88 88 ARG CB C 88 29.059 29.059 29.279 -0.220 19087 6348 1 12 . 1 1 88 88 ARG H H 88 9.132 9.132 8.407 0.725 19087 6349 1 12 . 1 1 89 89 ALA N N 89 119.527 119.527 121.319 -1.792 19087 6350 1 12 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.139 0.044 19087 6351 1 12 . 1 1 89 89 ALA C C 89 181.949 181.949 179.169 2.780 19087 6352 1 12 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.769 0.513 19087 6353 1 12 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.016 0.112 19087 6354 1 12 . 1 1 89 89 ALA H H 89 8.388 8.388 8.010 0.378 19087 6355 1 12 . 1 1 90 90 THR N N 90 115.279 115.279 112.015 3.264 19087 6356 1 12 . 1 1 90 90 THR HA H 90 4.146 4.146 3.528 0.618 19087 6357 1 12 . 1 1 90 90 THR C C 90 175.118 175.118 176.108 -0.990 19087 6358 1 12 . 1 1 90 90 THR CA C 90 66.607 66.607 65.069 1.538 19087 6359 1 12 . 1 1 90 90 THR CB C 90 68.971 68.971 68.400 0.571 19087 6360 1 12 . 1 1 90 90 THR H H 90 7.640 7.640 7.575 0.065 19087 6361 1 12 . 1 1 91 91 ALA N N 91 124.784 124.784 123.622 1.162 19087 6362 1 12 . 1 1 91 91 ALA HA H 91 3.769 3.769 3.940 -0.171 19087 6363 1 12 . 1 1 91 91 ALA C C 91 178.546 178.546 178.630 -0.084 19087 6364 1 12 . 1 1 91 91 ALA CA C 91 55.552 55.552 54.702 0.850 19087 6365 1 12 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.384 0.869 19087 6366 1 12 . 1 1 91 91 ALA H H 91 9.095 9.095 7.665 1.430 19087 6367 1 12 . 1 1 92 92 ASP N N 92 118.310 118.310 119.645 -1.335 19087 6368 1 12 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.170 0.247 19087 6369 1 12 . 1 1 92 92 ASP C C 92 179.053 179.053 178.146 0.907 19087 6370 1 12 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.370 0.272 19087 6371 1 12 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.600 -0.171 19087 6372 1 12 . 1 1 92 92 ASP H H 92 8.898 8.898 7.680 1.218 19087 6373 1 12 . 1 1 93 93 ALA N N 93 122.980 122.980 121.934 1.046 19087 6374 1 12 . 1 1 93 93 ALA HA H 93 4.274 4.274 3.934 0.340 19087 6375 1 12 . 1 1 93 93 ALA C C 93 180.933 180.933 179.253 1.680 19087 6376 1 12 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.240 0.335 19087 6377 1 12 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.630 -0.454 19087 6378 1 12 . 1 1 93 93 ALA H H 93 7.424 7.424 7.514 -0.090 19087 6379 1 12 . 1 1 94 94 VAL N N 94 123.968 123.968 117.588 6.380 19087 6380 1 12 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.683 -0.739 19087 6381 1 12 . 1 1 94 94 VAL C C 94 178.269 178.269 178.216 0.053 19087 6382 1 12 . 1 1 94 94 VAL CA C 94 66.399 66.399 66.317 0.082 19087 6383 1 12 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.525 -0.822 19087 6384 1 12 . 1 1 94 94 VAL H H 94 8.808 8.808 7.294 1.514 19087 6385 1 12 . 1 1 95 95 GLY N N 95 108.282 108.282 106.424 1.858 19087 6386 1 12 . 1 1 95 95 GLY C C 95 176.440 176.440 175.638 0.802 19087 6387 1 12 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.147 0.772 19087 6388 1 12 . 1 1 95 95 GLY H H 95 9.355 9.355 8.469 0.886 19087 6389 1 12 . 1 1 96 96 ARG N N 96 120.852 120.852 120.282 0.570 19087 6390 1 12 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.191 0.012 19087 6391 1 12 . 1 1 96 96 ARG C C 96 179.101 179.101 177.967 1.134 19087 6392 1 12 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.675 0.534 19087 6393 1 12 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.552 -0.018 19087 6394 1 12 . 1 1 96 96 ARG H H 96 8.112 8.112 7.616 0.496 19087 6395 1 12 . 1 1 97 97 THR N N 97 117.170 117.170 114.997 2.173 19087 6396 1 12 . 1 1 97 97 THR HA H 97 3.986 3.986 4.117 -0.131 19087 6397 1 12 . 1 1 97 97 THR C C 97 175.451 175.451 175.759 -0.308 19087 6398 1 12 . 1 1 97 97 THR CA C 97 66.867 66.867 65.075 1.792 19087 6399 1 12 . 1 1 97 97 THR CB C 97 68.205 68.205 69.155 -0.950 19087 6400 1 12 . 1 1 97 97 THR H H 97 7.854 7.854 7.528 0.326 19087 6401 1 12 . 1 1 98 98 LEU N N 98 115.294 115.294 120.612 -5.318 19087 6402 1 12 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.503 -0.198 19087 6403 1 12 . 1 1 98 98 LEU C C 98 177.537 177.537 176.918 0.619 19087 6404 1 12 . 1 1 98 98 LEU CA C 98 54.583 54.583 54.668 -0.085 19087 6405 1 12 . 1 1 98 98 LEU CB C 98 43.373 43.373 43.105 0.268 19087 6406 1 12 . 1 1 98 98 LEU H H 98 7.855 7.855 7.900 -0.045 19087 6407 1 12 . 1 1 99 99 GLY N N 99 111.931 111.931 107.524 4.407 19087 6408 1 12 . 1 1 99 99 GLY C C 99 173.997 173.997 173.802 0.195 19087 6409 1 12 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.117 1.876 19087 6410 1 12 . 1 1 99 99 GLY H H 99 8.101 8.101 7.540 0.561 19087 6411 1 12 . 1 1 100 100 ALA N N 100 121.739 121.739 121.246 0.493 19087 6412 1 12 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.563 0.174 19087 6413 1 12 . 1 1 100 100 ALA C C 100 175.351 175.351 175.880 -0.529 19087 6414 1 12 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.469 -0.063 19087 6415 1 12 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.505 2.454 19087 6416 1 12 . 1 1 100 100 ALA H H 100 8.033 8.033 7.635 0.398 19087 6417 1 12 . 1 1 101 101 ALA N N 101 122.895 122.895 125.012 -2.117 19087 6418 1 12 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.431 -0.222 19087 6419 1 12 . 1 1 101 101 ALA C C 101 175.179 175.179 177.082 -1.903 19087 6420 1 12 . 1 1 101 101 ALA CA C 101 52.737 52.737 52.072 0.665 19087 6421 1 12 . 1 1 101 101 ALA CB C 101 19.814 19.814 18.932 0.882 19087 6422 1 12 . 1 1 101 101 ALA H H 101 7.782 7.782 8.615 -0.833 19087 6423 1 12 . 1 1 102 102 VAL N N 102 120.035 120.035 119.635 0.400 19087 6424 1 12 . 1 1 102 102 VAL HA H 102 5.054 5.054 5.155 -0.101 19087 6425 1 12 . 1 1 102 102 VAL C C 102 176.587 176.587 175.898 0.689 19087 6426 1 12 . 1 1 102 102 VAL CA C 102 60.988 60.988 60.492 0.496 19087 6427 1 12 . 1 1 102 102 VAL CB C 102 33.725 33.725 32.961 0.764 19087 6428 1 12 . 1 1 102 102 VAL H H 102 7.872 7.872 8.288 -0.416 19087 6429 1 12 . 1 1 103 103 GLU N N 103 126.469 126.469 125.958 0.511 19087 6430 1 12 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.517 0.362 19087 6431 1 12 . 1 1 103 103 GLU C C 103 174.343 174.343 173.926 0.417 19087 6432 1 12 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.443 -0.092 19087 6433 1 12 . 1 1 103 103 GLU CB C 103 35.595 35.595 33.776 1.819 19087 6434 1 12 . 1 1 103 103 GLU H H 103 9.215 9.215 8.962 0.253 19087 6435 1 12 . 1 1 104 104 LEU N N 104 123.109 123.109 121.098 2.011 19087 6436 1 12 . 1 1 104 104 LEU HA H 104 3.591 3.591 4.098 -0.507 19087 6437 1 12 . 1 1 104 104 LEU C C 104 178.379 178.379 178.601 -0.222 19087 6438 1 12 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.248 -0.328 19087 6439 1 12 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.116 0.794 19087 6440 1 12 . 1 1 104 104 LEU H H 104 8.273 8.273 8.433 -0.160 19087 6441 1 12 . 1 1 105 105 ARG N N 105 119.790 119.790 118.208 1.582 19087 6442 1 12 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.268 -0.007 19087 6443 1 12 . 1 1 105 105 ARG C C 105 177.043 177.043 176.166 0.877 19087 6444 1 12 . 1 1 105 105 ARG CA C 105 59.310 59.310 56.290 3.020 19087 6445 1 12 . 1 1 105 105 ARG CB C 105 32.077 32.077 28.698 3.379 19087 6446 1 12 . 1 1 105 105 ARG H H 105 8.300 8.300 8.397 -0.097 19087 6447 1 12 . 1 1 106 106 LEU N N 106 122.431 122.431 121.798 0.633 19087 6448 1 12 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.136 0.263 19087 6449 1 12 . 1 1 106 106 LEU CA C 106 54.701 54.701 58.443 -3.742 19087 6450 1 12 . 1 1 106 106 LEU CB C 106 42.469 42.469 38.713 3.756 19087 6451 1 12 . 1 1 106 106 LEU H H 106 8.026 8.026 7.364 0.662 19087 6452 1 12 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.184 0.055 19087 6453 1 12 . 1 1 107 107 PRO C C 107 179.627 179.627 178.175 1.452 19087 6454 1 12 . 1 1 107 107 PRO CA C 107 65.898 65.898 64.932 0.966 19087 6455 1 12 . 1 1 107 107 PRO CB C 107 31.519 31.519 30.989 0.530 19087 6456 1 12 . 1 1 108 108 GLU N N 108 116.744 116.744 117.771 -1.027 19087 6457 1 12 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.257 -0.159 19087 6458 1 12 . 1 1 108 108 GLU C C 108 176.957 176.957 178.100 -1.143 19087 6459 1 12 . 1 1 108 108 GLU CA C 108 59.584 59.584 58.139 1.445 19087 6460 1 12 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.424 0.733 19087 6461 1 12 . 1 1 108 108 GLU H H 108 9.605 9.605 8.332 1.273 19087 6462 1 12 . 1 1 109 109 LEU N N 109 116.575 116.575 119.976 -3.401 19087 6463 1 12 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.115 0.415 19087 6464 1 12 . 1 1 109 109 LEU C C 109 177.894 177.894 178.043 -0.149 19087 6465 1 12 . 1 1 109 109 LEU CA C 109 53.489 53.489 56.110 -2.621 19087 6466 1 12 . 1 1 109 109 LEU CB C 109 42.241 42.241 41.600 0.641 19087 6467 1 12 . 1 1 109 109 LEU H H 109 7.630 7.630 7.581 0.049 19087 6468 1 12 . 1 1 110 110 SER N N 110 117.031 117.031 114.395 2.636 19087 6469 1 12 . 1 1 110 110 SER HA H 110 3.943 3.943 4.227 -0.284 19087 6470 1 12 . 1 1 110 110 SER C C 110 174.273 174.273 175.516 -1.243 19087 6471 1 12 . 1 1 110 110 SER CA C 110 59.543 59.543 60.603 -1.060 19087 6472 1 12 . 1 1 110 110 SER CB C 110 63.609 63.609 63.361 0.249 19087 6473 1 12 . 1 1 110 110 SER H H 110 7.757 7.757 7.717 0.040 19087 6474 1 12 . 1 1 111 111 ASP N N 111 117.804 117.804 120.067 -2.263 19087 6475 1 12 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.609 -0.027 19087 6476 1 12 . 1 1 111 111 ASP C C 111 176.760 176.760 175.567 1.193 19087 6477 1 12 . 1 1 111 111 ASP CA C 111 53.976 53.976 54.513 -0.537 19087 6478 1 12 . 1 1 111 111 ASP CB C 111 40.183 40.183 41.729 -1.546 19087 6479 1 12 . 1 1 111 111 ASP H H 111 8.315 8.315 7.741 0.574 19087 6480 1 12 . 1 1 112 112 GLN N N 112 119.300 119.300 117.780 1.520 19087 6481 1 12 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.122 0.178 19087 6482 1 12 . 1 1 112 112 GLN CA C 112 55.014 55.014 55.921 -0.907 19087 6483 1 12 . 1 1 112 112 GLN CB C 112 26.568 26.568 27.404 -0.836 19087 6484 1 12 . 1 1 112 112 GLN H H 112 7.212 7.212 7.906 -0.694 19087 6485 1 12 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.478 0.049 19087 6486 1 12 . 1 1 114 114 PRO C C 114 175.464 175.464 177.003 -1.539 19087 6487 1 12 . 1 1 114 114 PRO CA C 114 64.069 64.069 62.545 1.524 19087 6488 1 12 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.851 -0.404 19087 6489 1 12 . 1 1 115 115 GLY N N 115 113.817 113.817 110.993 2.824 19087 6490 1 12 . 1 1 115 115 GLY C C 115 173.552 173.552 173.444 0.108 19087 6491 1 12 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.753 -0.800 19087 6492 1 12 . 1 1 115 115 GLY H H 115 8.443 8.443 7.813 0.630 19087 6493 1 12 . 1 1 116 116 VAL N N 116 122.049 122.049 123.194 -1.145 19087 6494 1 12 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.677 -0.546 19087 6495 1 12 . 1 1 116 116 VAL C C 116 174.533 174.533 175.458 -0.925 19087 6496 1 12 . 1 1 116 116 VAL CA C 116 63.916 63.916 62.397 1.519 19087 6497 1 12 . 1 1 116 116 VAL CB C 116 32.342 32.342 32.608 -0.266 19087 6498 1 12 . 1 1 116 116 VAL H H 116 8.957 8.957 7.795 1.162 19087 6499 1 12 . 1 1 117 117 ILE N N 117 126.102 126.102 124.659 1.443 19087 6500 1 12 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.114 -0.175 19087 6501 1 12 . 1 1 117 117 ILE C C 117 174.181 174.181 174.911 -0.730 19087 6502 1 12 . 1 1 117 117 ILE CA C 117 60.069 60.069 59.462 0.607 19087 6503 1 12 . 1 1 117 117 ILE CB C 117 42.368 42.368 39.090 3.278 19087 6504 1 12 . 1 1 117 117 ILE H H 117 7.863 7.863 8.631 -0.768 19087 6505 1 12 . 1 1 118 118 VAL N N 118 127.665 127.665 128.273 -0.608 19087 6506 1 12 . 1 1 118 118 VAL HA H 118 4.924 4.924 3.976 0.948 19087 6507 1 12 . 1 1 118 118 VAL C C 118 175.224 175.224 174.575 0.649 19087 6508 1 12 . 1 1 118 118 VAL CA C 118 60.580 60.580 61.664 -1.084 19087 6509 1 12 . 1 1 118 118 VAL CB C 118 33.945 33.945 31.718 2.227 19087 6510 1 12 . 1 1 118 118 VAL H H 118 9.348 9.348 8.733 0.615 19087 6511 1 12 . 1 1 119 119 VAL N N 119 121.828 121.828 128.957 -7.129 19087 6512 1 12 . 1 1 119 119 VAL HA H 119 5.563 5.563 3.960 1.603 19087 6513 1 12 . 1 1 119 119 VAL C C 119 174.425 174.425 175.380 -0.955 19087 6514 1 12 . 1 1 119 119 VAL CA C 119 58.691 58.691 60.513 -1.822 19087 6515 1 12 . 1 1 119 119 VAL CB C 119 32.886 32.886 31.308 1.578 19087 6516 1 12 . 1 1 119 119 VAL H H 119 9.096 9.096 8.011 1.085 19087 6517 1 12 . 1 1 120 120 VAL N N 120 120.260 120.260 127.835 -7.575 19087 6518 1 12 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.354 0.464 19087 6519 1 12 . 1 1 120 120 VAL C C 120 175.649 175.649 175.130 0.519 19087 6520 1 12 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.947 -0.316 19087 6521 1 12 . 1 1 120 120 VAL CB C 120 34.550 34.550 34.117 0.433 19087 6522 1 12 . 1 1 120 120 VAL H H 120 8.809 8.809 8.516 0.293 19087 6523 1 12 . 1 1 121 121 THR N N 121 114.564 114.564 115.864 -1.300 19087 6524 1 12 . 1 1 121 121 THR HA H 121 4.428 4.428 5.043 -0.615 19087 6525 1 12 . 1 1 121 121 THR C C 121 173.833 173.833 174.197 -0.364 19087 6526 1 12 . 1 1 121 121 THR CA C 121 60.834 60.834 59.436 1.398 19087 6527 1 12 . 1 1 121 121 THR CB C 121 69.413 69.413 71.008 -1.595 19087 6528 1 12 . 1 1 121 121 THR H H 121 7.859 7.859 8.207 -0.348 19087 6529 1 13 . 1 1 6 6 SER C C 6 174.665 174.665 174.038 0.627 19087 6530 1 13 . 1 1 6 6 SER CA C 6 58.745 58.745 58.114 0.631 19087 6531 1 13 . 1 1 6 6 SER CB C 6 63.870 63.870 63.188 0.682 19087 6532 1 13 . 1 1 7 7 GLU N N 7 122.278 122.278 126.882 -4.604 19087 6533 1 13 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.498 0.230 19087 6534 1 13 . 1 1 7 7 GLU C C 7 176.279 176.279 176.697 -0.418 19087 6535 1 13 . 1 1 7 7 GLU CA C 7 56.894 56.894 56.254 0.640 19087 6536 1 13 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.392 0.817 19087 6537 1 13 . 1 1 7 7 GLU H H 7 8.475 8.475 8.736 -0.261 19087 6538 1 13 . 1 1 8 8 ASP N N 8 120.753 120.753 121.278 -0.525 19087 6539 1 13 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.430 0.279 19087 6540 1 13 . 1 1 8 8 ASP C C 8 176.070 176.070 176.314 -0.244 19087 6541 1 13 . 1 1 8 8 ASP CA C 8 54.366 54.366 55.309 -0.943 19087 6542 1 13 . 1 1 8 8 ASP CB C 8 41.459 41.459 41.469 -0.010 19087 6543 1 13 . 1 1 8 8 ASP H H 8 8.206 8.206 7.870 0.336 19087 6544 1 13 . 1 1 9 9 ASP N N 9 121.430 121.430 118.361 3.069 19087 6545 1 13 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.403 0.300 19087 6546 1 13 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.827 -0.383 19087 6547 1 13 . 1 1 9 9 ASP CB C 9 41.220 41.220 41.413 -0.193 19087 6548 1 13 . 1 1 9 9 ASP H H 9 8.256 8.256 8.583 -0.327 19087 6549 1 13 . 1 1 11 11 SER C C 11 174.517 174.517 173.434 1.083 19087 6550 1 13 . 1 1 11 11 SER CA C 11 59.364 59.364 57.675 1.689 19087 6551 1 13 . 1 1 11 11 SER CB C 11 63.989 63.989 63.893 0.096 19087 6552 1 13 . 1 1 12 12 ALA N N 12 125.500 125.500 124.251 1.249 19087 6553 1 13 . 1 1 12 12 ALA HA H 12 4.356 4.356 5.188 -0.832 19087 6554 1 13 . 1 1 12 12 ALA C C 12 177.811 177.811 176.477 1.334 19087 6555 1 13 . 1 1 12 12 ALA CA C 12 52.815 52.815 51.364 1.451 19087 6556 1 13 . 1 1 12 12 ALA CB C 12 19.204 19.204 19.998 -0.794 19087 6557 1 13 . 1 1 12 12 ALA H H 12 8.087 8.087 8.792 -0.705 19087 6558 1 13 . 1 1 13 13 ILE N N 13 119.045 119.045 117.379 1.666 19087 6559 1 13 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.992 -0.799 19087 6560 1 13 . 1 1 13 13 ILE CA C 13 61.163 61.163 60.018 1.145 19087 6561 1 13 . 1 1 13 13 ILE CB C 13 38.721 38.721 40.327 -1.606 19087 6562 1 13 . 1 1 13 13 ILE H H 13 7.938 7.938 8.751 -0.813 19087 6563 1 13 . 1 1 14 14 SER N N 14 119.662 119.662 115.135 4.527 19087 6564 1 13 . 1 1 14 14 SER H H 14 8.339 8.339 8.397 -0.058 19087 6565 1 13 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.636 -0.350 19087 6566 1 13 . 1 1 21 21 ALA C C 21 177.013 177.013 175.488 1.525 19087 6567 1 13 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.626 -0.041 19087 6568 1 13 . 1 1 21 21 ALA CB C 21 19.339 19.339 20.224 -0.885 19087 6569 1 13 . 1 1 22 22 ALA N N 22 124.579 124.579 124.020 0.559 19087 6570 1 13 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.612 0.113 19087 6571 1 13 . 1 1 22 22 ALA CA C 22 50.310 50.310 50.695 -0.385 19087 6572 1 13 . 1 1 22 22 ALA CB C 22 18.232 18.232 18.951 -0.719 19087 6573 1 13 . 1 1 22 22 ALA H H 22 8.182 8.182 8.420 -0.238 19087 6574 1 13 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.495 -0.360 19087 6575 1 13 . 1 1 28 28 VAL C C 28 175.779 175.779 175.413 0.366 19087 6576 1 13 . 1 1 28 28 VAL CA C 28 62.167 62.167 61.405 0.762 19087 6577 1 13 . 1 1 28 28 VAL CB C 28 32.681 32.681 33.302 -0.621 19087 6578 1 13 . 1 1 29 29 LYS N N 29 126.858 126.858 125.977 0.881 19087 6579 1 13 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.579 0.133 19087 6580 1 13 . 1 1 29 29 LYS CA C 29 54.135 54.135 54.623 -0.488 19087 6581 1 13 . 1 1 29 29 LYS CB C 29 32.646 32.646 31.896 0.750 19087 6582 1 13 . 1 1 29 29 LYS H H 29 8.346 8.346 8.275 0.071 19087 6583 1 13 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.377 0.025 19087 6584 1 13 . 1 1 30 30 PRO C C 30 176.435 176.435 175.586 0.849 19087 6585 1 13 . 1 1 30 30 PRO CA C 30 62.776 62.776 63.020 -0.244 19087 6586 1 13 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.319 -0.165 19087 6587 1 13 . 1 1 31 31 ALA N N 31 124.680 124.680 124.132 0.548 19087 6588 1 13 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.390 -0.043 19087 6589 1 13 . 1 1 31 31 ALA C C 31 176.860 176.860 177.294 -0.434 19087 6590 1 13 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.178 1.138 19087 6591 1 13 . 1 1 31 31 ALA CB C 31 19.398 19.398 19.638 -0.240 19087 6592 1 13 . 1 1 31 31 ALA H H 31 8.324 8.324 8.289 0.035 19087 6593 1 13 . 1 1 32 32 ALA N N 32 125.011 125.011 123.339 1.672 19087 6594 1 13 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.600 0.136 19087 6595 1 13 . 1 1 32 32 ALA CA C 32 50.487 50.487 49.806 0.681 19087 6596 1 13 . 1 1 32 32 ALA CB C 32 18.203 18.203 18.830 -0.627 19087 6597 1 13 . 1 1 32 32 ALA H H 32 8.246 8.246 8.292 -0.046 19087 6598 1 13 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.717 -0.251 19087 6599 1 13 . 1 1 33 33 PRO C C 33 176.834 176.834 176.108 0.726 19087 6600 1 13 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.816 0.009 19087 6601 1 13 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.357 -0.362 19087 6602 1 13 . 1 1 34 34 ARG N N 34 121.170 121.170 125.005 -3.835 19087 6603 1 13 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.291 0.095 19087 6604 1 13 . 1 1 34 34 ARG C C 34 175.853 175.853 175.377 0.476 19087 6605 1 13 . 1 1 34 34 ARG CA C 34 55.912 55.912 57.670 -1.758 19087 6606 1 13 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.326 0.346 19087 6607 1 13 . 1 1 34 34 ARG H H 34 8.349 8.349 8.609 -0.260 19087 6608 1 13 . 1 1 35 35 ALA N N 35 124.878 124.878 118.360 6.518 19087 6609 1 13 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.488 0.124 19087 6610 1 13 . 1 1 35 35 ALA C C 35 176.170 176.170 175.209 0.961 19087 6611 1 13 . 1 1 35 35 ALA CA C 35 51.566 51.566 50.942 0.624 19087 6612 1 13 . 1 1 35 35 ALA CB C 35 20.722 20.722 21.728 -1.006 19087 6613 1 13 . 1 1 35 35 ALA H H 35 8.008 8.008 7.664 0.344 19087 6614 1 13 . 1 1 36 36 GLU N N 36 119.776 119.776 120.031 -0.255 19087 6615 1 13 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.514 -0.083 19087 6616 1 13 . 1 1 36 36 GLU C C 36 174.618 174.618 175.048 -0.430 19087 6617 1 13 . 1 1 36 36 GLU CA C 36 56.472 56.472 56.764 -0.292 19087 6618 1 13 . 1 1 36 36 GLU CB C 36 31.124 31.124 30.091 1.033 19087 6619 1 13 . 1 1 36 36 GLU H H 36 8.495 8.495 8.735 -0.240 19087 6620 1 13 . 1 1 37 37 VAL N N 37 119.808 119.808 124.343 -4.535 19087 6621 1 13 . 1 1 37 37 VAL HA H 37 4.902 4.902 5.116 -0.214 19087 6622 1 13 . 1 1 37 37 VAL C C 37 174.285 174.285 174.811 -0.526 19087 6623 1 13 . 1 1 37 37 VAL CA C 37 60.639 60.639 60.723 -0.084 19087 6624 1 13 . 1 1 37 37 VAL CB C 37 34.612 34.612 35.264 -0.652 19087 6625 1 13 . 1 1 37 37 VAL H H 37 8.494 8.494 8.742 -0.248 19087 6626 1 13 . 1 1 38 38 ARG N N 38 124.534 124.534 124.049 0.485 19087 6627 1 13 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.300 -0.374 19087 6628 1 13 . 1 1 38 38 ARG C C 38 174.239 174.239 174.074 0.165 19087 6629 1 13 . 1 1 38 38 ARG CA C 38 55.092 55.092 54.146 0.946 19087 6630 1 13 . 1 1 38 38 ARG CB C 38 34.190 34.190 33.259 0.931 19087 6631 1 13 . 1 1 38 38 ARG H H 38 8.652 8.652 9.092 -0.440 19087 6632 1 13 . 1 1 39 39 VAL N N 39 121.231 121.231 124.954 -3.723 19087 6633 1 13 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.882 -0.084 19087 6634 1 13 . 1 1 39 39 VAL C C 39 173.357 173.357 174.700 -1.343 19087 6635 1 13 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.580 -0.942 19087 6636 1 13 . 1 1 39 39 VAL CB C 39 34.294 34.294 31.765 2.529 19087 6637 1 13 . 1 1 39 39 VAL H H 39 7.934 7.934 8.705 -0.771 19087 6638 1 13 . 1 1 40 40 TYR N N 40 122.262 122.262 128.430 -6.168 19087 6639 1 13 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.103 0.051 19087 6640 1 13 . 1 1 40 40 TYR C C 40 175.124 175.124 175.138 -0.014 19087 6641 1 13 . 1 1 40 40 TYR CA C 40 55.540 55.540 56.517 -0.977 19087 6642 1 13 . 1 1 40 40 TYR CB C 40 42.223 42.223 41.467 0.756 19087 6643 1 13 . 1 1 40 40 TYR H H 40 9.343 9.343 8.968 0.375 19087 6644 1 13 . 1 1 41 41 ASN N N 41 121.684 121.684 121.752 -0.068 19087 6645 1 13 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.348 -0.316 19087 6646 1 13 . 1 1 41 41 ASN C C 41 176.301 176.301 175.828 0.473 19087 6647 1 13 . 1 1 41 41 ASN CA C 41 52.635 52.635 52.310 0.325 19087 6648 1 13 . 1 1 41 41 ASN CB C 41 39.836 39.836 39.791 0.045 19087 6649 1 13 . 1 1 41 41 ASN H H 41 9.287 9.287 8.526 0.761 19087 6650 1 13 . 1 1 42 42 ILE N N 42 119.462 119.462 125.266 -5.804 19087 6651 1 13 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.236 1.214 19087 6652 1 13 . 1 1 42 42 ILE C C 42 176.450 176.450 176.035 0.415 19087 6653 1 13 . 1 1 42 42 ILE CA C 42 60.513 60.513 63.131 -2.618 19087 6654 1 13 . 1 1 42 42 ILE CB C 42 38.597 38.597 38.556 0.041 19087 6655 1 13 . 1 1 42 42 ILE H H 42 8.541 8.541 8.407 0.134 19087 6656 1 13 . 1 1 43 43 SER N N 43 118.212 118.212 115.597 2.615 19087 6657 1 13 . 1 1 43 43 SER HA H 43 4.729 4.729 4.458 0.271 19087 6658 1 13 . 1 1 43 43 SER CA C 43 58.598 58.598 59.316 -0.718 19087 6659 1 13 . 1 1 43 43 SER CB C 43 66.262 66.262 64.355 1.907 19087 6660 1 13 . 1 1 43 43 SER H H 43 8.142 8.142 7.529 0.613 19087 6661 1 13 . 1 1 44 44 GLY C C 44 174.414 174.414 174.710 -0.296 19087 6662 1 13 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.359 0.020 19087 6663 1 13 . 1 1 45 45 THR N N 45 116.371 116.371 116.500 -0.129 19087 6664 1 13 . 1 1 45 45 THR HA H 45 4.384 4.384 4.190 0.194 19087 6665 1 13 . 1 1 45 45 THR CA C 45 61.814 61.814 64.653 -2.839 19087 6666 1 13 . 1 1 45 45 THR CB C 45 69.787 69.787 69.309 0.478 19087 6667 1 13 . 1 1 45 45 THR H H 45 8.298 8.298 7.859 0.439 19087 6668 1 13 . 1 1 47 47 GLY C C 47 175.691 175.691 175.152 0.539 19087 6669 1 13 . 1 1 47 47 GLY CA C 47 46.191 46.191 45.516 0.675 19087 6670 1 13 . 1 1 48 48 ALA N N 48 121.957 121.957 123.948 -1.991 19087 6671 1 13 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.207 -0.178 19087 6672 1 13 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.024 1.378 19087 6673 1 13 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.297 0.195 19087 6674 1 13 . 1 1 48 48 ALA H H 48 7.511 7.511 8.212 -0.701 19087 6675 1 13 . 1 1 49 49 ALA HA H 49 3.984 3.984 4.033 -0.049 19087 6676 1 13 . 1 1 49 49 ALA C C 49 178.073 178.073 178.836 -0.763 19087 6677 1 13 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.344 0.517 19087 6678 1 13 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.496 0.193 19087 6679 1 13 . 1 1 50 50 ALA N N 50 122.654 122.654 119.956 2.698 19087 6680 1 13 . 1 1 50 50 ALA HA H 50 3.989 3.989 3.909 0.080 19087 6681 1 13 . 1 1 50 50 ALA C C 50 179.642 179.642 179.314 0.328 19087 6682 1 13 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.850 1.000 19087 6683 1 13 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.483 -0.695 19087 6684 1 13 . 1 1 50 50 ALA H H 50 7.965 7.965 7.649 0.316 19087 6685 1 13 . 1 1 51 51 ARG N N 51 116.659 116.659 117.741 -1.082 19087 6686 1 13 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.164 0.027 19087 6687 1 13 . 1 1 51 51 ARG C C 51 179.931 179.931 178.913 1.018 19087 6688 1 13 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.672 0.840 19087 6689 1 13 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.640 0.823 19087 6690 1 13 . 1 1 51 51 ARG H H 51 7.982 7.982 7.652 0.330 19087 6691 1 13 . 1 1 52 52 THR N N 52 117.745 117.745 112.284 5.461 19087 6692 1 13 . 1 1 52 52 THR HA H 52 4.162 4.162 4.091 0.071 19087 6693 1 13 . 1 1 52 52 THR C C 52 175.626 175.626 175.904 -0.278 19087 6694 1 13 . 1 1 52 52 THR CA C 52 68.565 68.565 65.509 3.056 19087 6695 1 13 . 1 1 52 52 THR CB C 52 70.787 70.787 68.130 2.657 19087 6696 1 13 . 1 1 52 52 THR H H 52 7.661 7.661 7.528 0.133 19087 6697 1 13 . 1 1 53 53 ALA N N 53 123.939 123.939 124.777 -0.838 19087 6698 1 13 . 1 1 53 53 ALA HA H 53 3.886 3.886 4.063 -0.177 19087 6699 1 13 . 1 1 53 53 ALA C C 53 179.013 179.013 178.662 0.351 19087 6700 1 13 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.643 1.554 19087 6701 1 13 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.930 -0.213 19087 6702 1 13 . 1 1 53 53 ALA H H 53 8.805 8.805 7.296 1.509 19087 6703 1 13 . 1 1 54 54 ASP N N 54 118.351 118.351 119.037 -0.686 19087 6704 1 13 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.239 0.193 19087 6705 1 13 . 1 1 54 54 ASP C C 54 179.376 179.376 178.705 0.671 19087 6706 1 13 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.399 0.608 19087 6707 1 13 . 1 1 54 54 ASP CB C 54 40.242 40.242 40.962 -0.720 19087 6708 1 13 . 1 1 54 54 ASP H H 54 8.327 8.327 8.147 0.180 19087 6709 1 13 . 1 1 55 55 ARG N N 55 121.120 121.120 118.744 2.376 19087 6710 1 13 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.095 0.080 19087 6711 1 13 . 1 1 55 55 ARG C C 55 179.550 179.550 178.973 0.577 19087 6712 1 13 . 1 1 55 55 ARG CA C 55 59.285 59.285 59.096 0.189 19087 6713 1 13 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.310 0.010 19087 6714 1 13 . 1 1 55 55 ARG H H 55 7.723 7.723 7.799 -0.076 19087 6715 1 13 . 1 1 56 56 LEU N N 56 118.659 118.659 119.727 -1.068 19087 6716 1 13 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.120 0.212 19087 6717 1 13 . 1 1 56 56 LEU C C 56 179.305 179.305 178.212 1.093 19087 6718 1 13 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.407 0.030 19087 6719 1 13 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.585 -0.298 19087 6720 1 13 . 1 1 56 56 LEU H H 56 8.215 8.215 7.579 0.636 19087 6721 1 13 . 1 1 57 57 LYS N N 57 122.713 122.713 120.054 2.659 19087 6722 1 13 . 1 1 57 57 LYS HA H 57 4.513 4.513 3.558 0.955 19087 6723 1 13 . 1 1 57 57 LYS C C 57 181.436 181.436 178.951 2.485 19087 6724 1 13 . 1 1 57 57 LYS CA C 57 60.004 60.004 59.094 0.910 19087 6725 1 13 . 1 1 57 57 LYS CB C 57 32.437 32.437 31.997 0.440 19087 6726 1 13 . 1 1 57 57 LYS H H 57 8.914 8.914 7.843 1.071 19087 6727 1 13 . 1 1 58 58 ALA N N 58 122.423 122.423 121.584 0.839 19087 6728 1 13 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.306 -0.096 19087 6729 1 13 . 1 1 58 58 ALA C C 58 178.516 178.516 178.676 -0.160 19087 6730 1 13 . 1 1 58 58 ALA CA C 58 55.069 55.069 54.242 0.827 19087 6731 1 13 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.331 -0.422 19087 6732 1 13 . 1 1 58 58 ALA H H 58 8.026 8.026 7.588 0.438 19087 6733 1 13 . 1 1 59 59 ALA N N 59 118.347 118.347 119.140 -0.793 19087 6734 1 13 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.360 0.126 19087 6735 1 13 . 1 1 59 59 ALA C C 59 176.797 176.797 177.011 -0.214 19087 6736 1 13 . 1 1 59 59 ALA CA C 59 51.758 51.758 51.825 -0.067 19087 6737 1 13 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.299 0.070 19087 6738 1 13 . 1 1 59 59 ALA H H 59 7.413 7.413 7.662 -0.249 19087 6739 1 13 . 1 1 60 60 GLY N N 60 104.918 104.918 106.423 -1.505 19087 6740 1 13 . 1 1 60 60 GLY C C 60 174.741 174.741 173.796 0.945 19087 6741 1 13 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.615 0.621 19087 6742 1 13 . 1 1 60 60 GLY H H 60 7.694 7.694 7.709 -0.015 19087 6743 1 13 . 1 1 61 61 PHE N N 61 118.862 118.862 118.022 0.840 19087 6744 1 13 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.414 0.081 19087 6745 1 13 . 1 1 61 61 PHE C C 61 175.204 175.204 175.170 0.034 19087 6746 1 13 . 1 1 61 61 PHE CA C 61 58.483 58.483 56.298 2.185 19087 6747 1 13 . 1 1 61 61 PHE CB C 61 39.163 39.163 38.437 0.726 19087 6748 1 13 . 1 1 61 61 PHE H H 61 7.879 7.879 7.997 -0.118 19087 6749 1 13 . 1 1 62 62 THR N N 62 121.319 121.319 116.544 4.775 19087 6750 1 13 . 1 1 62 62 THR HA H 62 4.303 4.303 4.051 0.252 19087 6751 1 13 . 1 1 62 62 THR C C 62 173.073 173.073 174.492 -1.419 19087 6752 1 13 . 1 1 62 62 THR CA C 62 69.389 69.389 64.865 4.524 19087 6753 1 13 . 1 1 62 62 THR CB C 62 62.478 62.478 69.712 -7.234 19087 6754 1 13 . 1 1 62 62 THR H H 62 9.493 9.493 8.149 1.344 19087 6755 1 13 . 1 1 63 63 VAL N N 63 128.406 128.406 121.563 6.843 19087 6756 1 13 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.487 0.173 19087 6757 1 13 . 1 1 63 63 VAL C C 63 177.267 177.267 174.268 2.999 19087 6758 1 13 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.193 -1.094 19087 6759 1 13 . 1 1 63 63 VAL CB C 63 32.572 32.572 35.274 -2.702 19087 6760 1 13 . 1 1 63 63 VAL H H 63 8.293 8.293 7.574 0.719 19087 6761 1 13 . 1 1 64 64 THR N N 64 118.495 118.495 122.707 -4.212 19087 6762 1 13 . 1 1 64 64 THR HA H 64 4.350 4.350 5.276 -0.926 19087 6763 1 13 . 1 1 64 64 THR CA C 64 62.182 62.182 61.434 0.748 19087 6764 1 13 . 1 1 64 64 THR CB C 64 69.143 69.143 70.719 -1.576 19087 6765 1 13 . 1 1 64 64 THR H H 64 8.770 8.770 8.797 -0.027 19087 6766 1 13 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.951 -0.650 19087 6767 1 13 . 1 1 65 65 ASP C C 65 173.778 173.778 174.190 -0.412 19087 6768 1 13 . 1 1 65 65 ASP CA C 65 54.287 54.287 52.615 1.672 19087 6769 1 13 . 1 1 65 65 ASP CB C 65 44.018 44.018 43.917 0.101 19087 6770 1 13 . 1 1 66 66 VAL N N 66 121.705 121.705 122.011 -0.306 19087 6771 1 13 . 1 1 66 66 VAL HA H 66 4.863 4.863 4.946 -0.083 19087 6772 1 13 . 1 1 66 66 VAL C C 66 176.234 176.234 175.763 0.471 19087 6773 1 13 . 1 1 66 66 VAL CA C 66 60.597 60.597 60.696 -0.099 19087 6774 1 13 . 1 1 66 66 VAL CB C 66 34.120 34.120 34.535 -0.415 19087 6775 1 13 . 1 1 66 66 VAL H H 66 7.849 7.849 8.339 -0.490 19087 6776 1 13 . 1 1 67 67 GLY N N 67 112.050 112.050 112.782 -0.732 19087 6777 1 13 . 1 1 67 67 GLY CA C 67 45.618 45.618 44.554 1.064 19087 6778 1 13 . 1 1 67 67 GLY H H 67 8.151 8.151 8.459 -0.308 19087 6779 1 13 . 1 1 68 68 ASN C C 68 173.771 173.771 173.772 -0.001 19087 6780 1 13 . 1 1 68 68 ASN CA C 68 53.062 53.062 52.722 0.340 19087 6781 1 13 . 1 1 68 68 ASN CB C 68 39.832 39.832 41.539 -1.707 19087 6782 1 13 . 1 1 69 69 LEU N N 69 121.003 121.003 123.507 -2.504 19087 6783 1 13 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.748 -0.211 19087 6784 1 13 . 1 1 69 69 LEU C C 69 174.751 174.751 174.902 -0.151 19087 6785 1 13 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.964 -1.038 19087 6786 1 13 . 1 1 69 69 LEU CB C 69 47.313 47.313 45.770 1.543 19087 6787 1 13 . 1 1 69 69 LEU H H 69 8.276 8.276 8.646 -0.370 19087 6788 1 13 . 1 1 70 70 SER N N 70 116.269 116.269 121.628 -5.359 19087 6789 1 13 . 1 1 70 70 SER C C 70 173.777 173.777 173.017 0.760 19087 6790 1 13 . 1 1 70 70 SER CA C 70 56.923 56.923 57.959 -1.036 19087 6791 1 13 . 1 1 70 70 SER CB C 70 63.219 63.219 62.779 0.440 19087 6792 1 13 . 1 1 70 70 SER H H 70 8.122 8.122 8.582 -0.460 19087 6793 1 13 . 1 1 71 71 LEU N N 71 127.999 127.999 130.801 -2.802 19087 6794 1 13 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.885 -0.129 19087 6795 1 13 . 1 1 71 71 LEU CA C 71 52.165 52.165 51.258 0.908 19087 6796 1 13 . 1 1 71 71 LEU CB C 71 44.179 44.179 43.987 0.192 19087 6797 1 13 . 1 1 71 71 LEU H H 71 8.293 8.293 8.077 0.216 19087 6798 1 13 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.275 0.085 19087 6799 1 13 . 1 1 72 72 PRO C C 72 176.922 176.922 176.555 0.367 19087 6800 1 13 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.843 -0.599 19087 6801 1 13 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.705 0.761 19087 6802 1 13 . 1 1 73 73 ASP N N 73 115.106 115.106 114.936 0.170 19087 6803 1 13 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.457 0.101 19087 6804 1 13 . 1 1 73 73 ASP C C 73 175.809 175.809 174.969 0.840 19087 6805 1 13 . 1 1 73 73 ASP CA C 73 55.145 55.145 53.807 1.338 19087 6806 1 13 . 1 1 73 73 ASP CB C 73 40.778 40.778 39.855 0.923 19087 6807 1 13 . 1 1 73 73 ASP H H 73 8.431 8.431 8.504 -0.073 19087 6808 1 13 . 1 1 74 74 VAL N N 74 122.218 122.218 120.416 1.802 19087 6809 1 13 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.339 -0.373 19087 6810 1 13 . 1 1 74 74 VAL C C 74 175.339 175.339 175.177 0.162 19087 6811 1 13 . 1 1 74 74 VAL CA C 74 63.871 63.871 61.990 1.881 19087 6812 1 13 . 1 1 74 74 VAL CB C 74 32.075 32.075 32.339 -0.264 19087 6813 1 13 . 1 1 74 74 VAL H H 74 7.468 7.468 7.476 -0.008 19087 6814 1 13 . 1 1 75 75 ALA N N 75 128.630 128.630 129.902 -1.272 19087 6815 1 13 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.625 -0.200 19087 6816 1 13 . 1 1 75 75 ALA C C 75 176.404 176.404 176.584 -0.180 19087 6817 1 13 . 1 1 75 75 ALA CA C 75 52.427 52.427 51.990 0.437 19087 6818 1 13 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.904 0.567 19087 6819 1 13 . 1 1 75 75 ALA H H 75 8.581 8.581 8.811 -0.230 19087 6820 1 13 . 1 1 76 76 ALA N N 76 120.481 120.481 121.626 -1.145 19087 6821 1 13 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.547 0.110 19087 6822 1 13 . 1 1 76 76 ALA C C 76 175.925 175.925 175.113 0.812 19087 6823 1 13 . 1 1 76 76 ALA CA C 76 50.995 50.995 52.144 -1.149 19087 6824 1 13 . 1 1 76 76 ALA CB C 76 22.365 22.365 20.434 1.931 19087 6825 1 13 . 1 1 76 76 ALA H H 76 7.438 7.438 7.639 -0.201 19087 6826 1 13 . 1 1 77 77 THR N N 77 121.464 121.464 117.637 3.827 19087 6827 1 13 . 1 1 77 77 THR HA H 77 4.734 4.734 4.440 0.294 19087 6828 1 13 . 1 1 77 77 THR C C 77 174.143 174.143 173.956 0.187 19087 6829 1 13 . 1 1 77 77 THR CA C 77 63.914 63.914 62.586 1.328 19087 6830 1 13 . 1 1 77 77 THR CB C 77 70.070 70.070 68.493 1.577 19087 6831 1 13 . 1 1 77 77 THR H H 77 8.390 8.390 8.354 0.036 19087 6832 1 13 . 1 1 78 78 THR N N 78 123.538 123.538 124.067 -0.529 19087 6833 1 13 . 1 1 78 78 THR HA H 78 4.644 4.644 4.765 -0.121 19087 6834 1 13 . 1 1 78 78 THR C C 78 181.684 181.684 172.187 9.497 19087 6835 1 13 . 1 1 78 78 THR CA C 78 62.511 62.511 61.295 1.216 19087 6836 1 13 . 1 1 78 78 THR CB C 78 72.846 72.846 72.788 0.058 19087 6837 1 13 . 1 1 78 78 THR H H 78 8.355 8.355 8.430 -0.075 19087 6838 1 13 . 1 1 79 79 VAL N N 79 126.455 126.455 124.179 2.276 19087 6839 1 13 . 1 1 79 79 VAL HA H 79 4.596 4.596 3.983 0.613 19087 6840 1 13 . 1 1 79 79 VAL C C 79 173.702 173.702 174.594 -0.892 19087 6841 1 13 . 1 1 79 79 VAL CA C 79 60.385 60.385 62.185 -1.800 19087 6842 1 13 . 1 1 79 79 VAL CB C 79 33.089 33.089 31.433 1.656 19087 6843 1 13 . 1 1 79 79 VAL H H 79 8.685 8.685 8.562 0.123 19087 6844 1 13 . 1 1 80 80 TYR N N 80 123.574 123.574 128.129 -4.555 19087 6845 1 13 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.221 1.179 19087 6846 1 13 . 1 1 80 80 TYR C C 80 176.410 176.410 175.671 0.739 19087 6847 1 13 . 1 1 80 80 TYR CA C 80 56.608 56.608 55.582 1.026 19087 6848 1 13 . 1 1 80 80 TYR CB C 80 42.567 42.567 39.543 3.024 19087 6849 1 13 . 1 1 80 80 TYR H H 80 9.702 9.702 8.541 1.161 19087 6850 1 13 . 1 1 81 81 TYR N N 81 117.754 117.754 119.844 -2.090 19087 6851 1 13 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.083 0.391 19087 6852 1 13 . 1 1 81 81 TYR C C 81 173.237 173.237 174.445 -1.208 19087 6853 1 13 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.859 -0.361 19087 6854 1 13 . 1 1 81 81 TYR CB C 81 42.249 42.249 39.964 2.285 19087 6855 1 13 . 1 1 81 81 TYR H H 81 8.221 8.221 8.244 -0.023 19087 6856 1 13 . 1 1 82 82 THR N N 82 111.056 111.056 115.315 -4.259 19087 6857 1 13 . 1 1 82 82 THR HA H 82 4.724 4.724 4.363 0.361 19087 6858 1 13 . 1 1 82 82 THR C C 82 174.521 174.521 175.160 -0.639 19087 6859 1 13 . 1 1 82 82 THR CA C 82 60.896 60.896 62.243 -1.347 19087 6860 1 13 . 1 1 82 82 THR CB C 82 71.506 71.506 69.915 1.591 19087 6861 1 13 . 1 1 82 82 THR H H 82 8.245 8.245 8.478 -0.233 19087 6862 1 13 . 1 1 83 83 GLU N N 83 117.058 117.058 122.702 -5.644 19087 6863 1 13 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.452 0.025 19087 6864 1 13 . 1 1 83 83 GLU C C 83 176.152 176.152 175.997 0.155 19087 6865 1 13 . 1 1 83 83 GLU CA C 83 57.179 57.179 55.955 1.224 19087 6866 1 13 . 1 1 83 83 GLU CB C 83 28.714 28.714 29.105 -0.391 19087 6867 1 13 . 1 1 83 83 GLU H H 83 8.772 8.772 8.788 -0.016 19087 6868 1 13 . 1 1 84 84 VAL N N 84 123.039 123.039 120.457 2.582 19087 6869 1 13 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.872 0.022 19087 6870 1 13 . 1 1 84 84 VAL C C 84 177.170 177.170 176.347 0.823 19087 6871 1 13 . 1 1 84 84 VAL CA C 84 63.678 63.678 63.363 0.315 19087 6872 1 13 . 1 1 84 84 VAL CB C 84 32.474 32.474 30.397 2.077 19087 6873 1 13 . 1 1 84 84 VAL H H 84 7.818 7.818 7.580 0.238 19087 6874 1 13 . 1 1 85 85 GLU N N 85 129.351 129.351 127.120 2.231 19087 6875 1 13 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.970 -0.078 19087 6876 1 13 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.321 0.684 19087 6877 1 13 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.778 0.745 19087 6878 1 13 . 1 1 85 85 GLU H H 85 8.796 8.796 8.670 0.126 19087 6879 1 13 . 1 1 86 86 GLY C C 86 176.321 176.321 174.948 1.373 19087 6880 1 13 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.313 0.563 19087 6881 1 13 . 1 1 87 87 GLU N N 87 121.773 121.773 121.444 0.329 19087 6882 1 13 . 1 1 87 87 GLU HA H 87 3.948 3.948 4.084 -0.136 19087 6883 1 13 . 1 1 87 87 GLU C C 87 178.276 178.276 177.953 0.323 19087 6884 1 13 . 1 1 87 87 GLU CA C 87 61.762 61.762 58.077 3.685 19087 6885 1 13 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.301 0.795 19087 6886 1 13 . 1 1 87 87 GLU H H 87 8.133 8.133 8.444 -0.311 19087 6887 1 13 . 1 1 88 88 ARG N N 88 121.466 121.466 118.074 3.392 19087 6888 1 13 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.633 -0.271 19087 6889 1 13 . 1 1 88 88 ARG C C 88 177.229 177.229 177.459 -0.230 19087 6890 1 13 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.667 0.826 19087 6891 1 13 . 1 1 88 88 ARG CB C 88 29.059 29.059 28.666 0.393 19087 6892 1 13 . 1 1 88 88 ARG H H 88 9.132 9.132 8.338 0.794 19087 6893 1 13 . 1 1 89 89 ALA N N 89 119.527 119.527 121.086 -1.559 19087 6894 1 13 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.393 -0.210 19087 6895 1 13 . 1 1 89 89 ALA C C 89 181.949 181.949 179.198 2.751 19087 6896 1 13 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.767 0.515 19087 6897 1 13 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.095 0.033 19087 6898 1 13 . 1 1 89 89 ALA H H 89 8.388 8.388 7.559 0.829 19087 6899 1 13 . 1 1 90 90 THR N N 90 115.279 115.279 114.993 0.286 19087 6900 1 13 . 1 1 90 90 THR HA H 90 4.146 4.146 4.076 0.070 19087 6901 1 13 . 1 1 90 90 THR C C 90 175.118 175.118 176.191 -1.073 19087 6902 1 13 . 1 1 90 90 THR CA C 90 66.607 66.607 66.369 0.238 19087 6903 1 13 . 1 1 90 90 THR CB C 90 68.971 68.971 68.670 0.301 19087 6904 1 13 . 1 1 90 90 THR H H 90 7.640 7.640 7.332 0.308 19087 6905 1 13 . 1 1 91 91 ALA N N 91 124.784 124.784 122.947 1.837 19087 6906 1 13 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.074 -0.305 19087 6907 1 13 . 1 1 91 91 ALA C C 91 178.546 178.546 178.792 -0.246 19087 6908 1 13 . 1 1 91 91 ALA CA C 91 55.552 55.552 54.292 1.260 19087 6909 1 13 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.281 0.972 19087 6910 1 13 . 1 1 91 91 ALA H H 91 9.095 9.095 7.544 1.551 19087 6911 1 13 . 1 1 92 92 ASP N N 92 118.310 118.310 120.110 -1.800 19087 6912 1 13 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.262 0.155 19087 6913 1 13 . 1 1 92 92 ASP C C 92 179.053 179.053 178.226 0.827 19087 6914 1 13 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.810 -0.168 19087 6915 1 13 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.470 -0.041 19087 6916 1 13 . 1 1 92 92 ASP H H 92 8.898 8.898 8.210 0.688 19087 6917 1 13 . 1 1 93 93 ALA N N 93 122.980 122.980 121.333 1.647 19087 6918 1 13 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.055 0.219 19087 6919 1 13 . 1 1 93 93 ALA C C 93 180.933 180.933 179.852 1.081 19087 6920 1 13 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.002 0.573 19087 6921 1 13 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.454 -0.278 19087 6922 1 13 . 1 1 93 93 ALA H H 93 7.424 7.424 7.536 -0.112 19087 6923 1 13 . 1 1 94 94 VAL N N 94 123.968 123.968 118.431 5.537 19087 6924 1 13 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.695 -0.751 19087 6925 1 13 . 1 1 94 94 VAL C C 94 178.269 178.269 178.136 0.133 19087 6926 1 13 . 1 1 94 94 VAL CA C 94 66.399 66.399 66.681 -0.282 19087 6927 1 13 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.600 -0.897 19087 6928 1 13 . 1 1 94 94 VAL H H 94 8.808 8.808 7.354 1.454 19087 6929 1 13 . 1 1 95 95 GLY N N 95 108.282 108.282 106.590 1.692 19087 6930 1 13 . 1 1 95 95 GLY C C 95 176.440 176.440 176.006 0.434 19087 6931 1 13 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.275 0.644 19087 6932 1 13 . 1 1 95 95 GLY H H 95 9.355 9.355 8.368 0.987 19087 6933 1 13 . 1 1 96 96 ARG N N 96 120.852 120.852 118.030 2.822 19087 6934 1 13 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.264 -0.061 19087 6935 1 13 . 1 1 96 96 ARG C C 96 179.101 179.101 177.725 1.376 19087 6936 1 13 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.079 1.131 19087 6937 1 13 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.486 0.048 19087 6938 1 13 . 1 1 96 96 ARG H H 96 8.112 8.112 7.578 0.534 19087 6939 1 13 . 1 1 97 97 THR N N 97 117.170 117.170 114.621 2.549 19087 6940 1 13 . 1 1 97 97 THR HA H 97 3.986 3.986 4.184 -0.198 19087 6941 1 13 . 1 1 97 97 THR C C 97 175.451 175.451 175.523 -0.072 19087 6942 1 13 . 1 1 97 97 THR CA C 97 66.867 66.867 65.107 1.760 19087 6943 1 13 . 1 1 97 97 THR CB C 97 68.205 68.205 69.341 -1.136 19087 6944 1 13 . 1 1 97 97 THR H H 97 7.854 7.854 7.865 -0.011 19087 6945 1 13 . 1 1 98 98 LEU N N 98 115.294 115.294 119.751 -4.457 19087 6946 1 13 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.445 -0.140 19087 6947 1 13 . 1 1 98 98 LEU C C 98 177.537 177.537 177.015 0.522 19087 6948 1 13 . 1 1 98 98 LEU CA C 98 54.583 54.583 54.785 -0.202 19087 6949 1 13 . 1 1 98 98 LEU CB C 98 43.373 43.373 43.400 -0.027 19087 6950 1 13 . 1 1 98 98 LEU H H 98 7.855 7.855 7.943 -0.088 19087 6951 1 13 . 1 1 99 99 GLY N N 99 111.931 111.931 106.385 5.546 19087 6952 1 13 . 1 1 99 99 GLY C C 99 173.997 173.997 173.862 0.135 19087 6953 1 13 . 1 1 99 99 GLY CA C 99 46.993 46.993 44.985 2.008 19087 6954 1 13 . 1 1 99 99 GLY H H 99 8.101 8.101 7.746 0.355 19087 6955 1 13 . 1 1 100 100 ALA N N 100 121.739 121.739 121.405 0.334 19087 6956 1 13 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.976 -0.239 19087 6957 1 13 . 1 1 100 100 ALA C C 100 175.351 175.351 175.804 -0.453 19087 6958 1 13 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.695 -0.289 19087 6959 1 13 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.297 2.662 19087 6960 1 13 . 1 1 100 100 ALA H H 100 8.033 8.033 7.457 0.576 19087 6961 1 13 . 1 1 101 101 ALA N N 101 122.895 122.895 121.629 1.266 19087 6962 1 13 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.628 -0.419 19087 6963 1 13 . 1 1 101 101 ALA C C 101 175.179 175.179 175.748 -0.569 19087 6964 1 13 . 1 1 101 101 ALA CA C 101 52.737 52.737 52.116 0.621 19087 6965 1 13 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.654 0.161 19087 6966 1 13 . 1 1 101 101 ALA H H 101 7.782 7.782 8.532 -0.750 19087 6967 1 13 . 1 1 102 102 VAL N N 102 120.035 120.035 116.513 3.522 19087 6968 1 13 . 1 1 102 102 VAL HA H 102 5.054 5.054 5.101 -0.047 19087 6969 1 13 . 1 1 102 102 VAL C C 102 176.587 176.587 175.171 1.416 19087 6970 1 13 . 1 1 102 102 VAL CA C 102 60.988 60.988 59.673 1.315 19087 6971 1 13 . 1 1 102 102 VAL CB C 102 33.725 33.725 35.702 -1.977 19087 6972 1 13 . 1 1 102 102 VAL H H 102 7.872 7.872 8.075 -0.203 19087 6973 1 13 . 1 1 103 103 GLU N N 103 126.469 126.469 123.311 3.158 19087 6974 1 13 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.649 0.230 19087 6975 1 13 . 1 1 103 103 GLU C C 103 174.343 174.343 174.599 -0.256 19087 6976 1 13 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.070 0.281 19087 6977 1 13 . 1 1 103 103 GLU CB C 103 35.595 35.595 33.963 1.632 19087 6978 1 13 . 1 1 103 103 GLU H H 103 9.215 9.215 8.560 0.655 19087 6979 1 13 . 1 1 104 104 LEU N N 104 123.109 123.109 121.610 1.499 19087 6980 1 13 . 1 1 104 104 LEU HA H 104 3.591 3.591 3.859 -0.268 19087 6981 1 13 . 1 1 104 104 LEU C C 104 178.379 178.379 177.719 0.660 19087 6982 1 13 . 1 1 104 104 LEU CA C 104 54.920 54.920 54.922 -0.002 19087 6983 1 13 . 1 1 104 104 LEU CB C 104 42.910 42.910 43.215 -0.305 19087 6984 1 13 . 1 1 104 104 LEU H H 104 8.273 8.273 8.469 -0.196 19087 6985 1 13 . 1 1 105 105 ARG N N 105 119.790 119.790 119.175 0.615 19087 6986 1 13 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.095 0.166 19087 6987 1 13 . 1 1 105 105 ARG C C 105 177.043 177.043 176.848 0.195 19087 6988 1 13 . 1 1 105 105 ARG CA C 105 59.310 59.310 55.963 3.347 19087 6989 1 13 . 1 1 105 105 ARG CB C 105 32.077 32.077 28.144 3.933 19087 6990 1 13 . 1 1 105 105 ARG H H 105 8.300 8.300 8.415 -0.115 19087 6991 1 13 . 1 1 106 106 LEU N N 106 122.431 122.431 120.070 2.361 19087 6992 1 13 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.186 0.212 19087 6993 1 13 . 1 1 106 106 LEU CA C 106 54.701 54.701 58.143 -3.442 19087 6994 1 13 . 1 1 106 106 LEU CB C 106 42.469 42.469 38.766 3.703 19087 6995 1 13 . 1 1 106 106 LEU H H 106 8.026 8.026 7.305 0.721 19087 6996 1 13 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.069 0.170 19087 6997 1 13 . 1 1 107 107 PRO C C 107 179.627 179.627 178.043 1.584 19087 6998 1 13 . 1 1 107 107 PRO CA C 107 65.898 65.898 64.897 1.001 19087 6999 1 13 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.271 0.248 19087 7000 1 13 . 1 1 108 108 GLU N N 108 116.744 116.744 116.581 0.163 19087 7001 1 13 . 1 1 108 108 GLU HA H 108 4.098 4.098 3.841 0.257 19087 7002 1 13 . 1 1 108 108 GLU C C 108 176.957 176.957 178.385 -1.428 19087 7003 1 13 . 1 1 108 108 GLU CA C 108 59.584 59.584 58.781 0.803 19087 7004 1 13 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.925 0.232 19087 7005 1 13 . 1 1 108 108 GLU H H 108 9.605 9.605 8.219 1.386 19087 7006 1 13 . 1 1 109 109 LEU N N 109 116.575 116.575 120.464 -3.889 19087 7007 1 13 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.369 0.161 19087 7008 1 13 . 1 1 109 109 LEU C C 109 177.894 177.894 177.694 0.200 19087 7009 1 13 . 1 1 109 109 LEU CA C 109 53.489 53.489 56.436 -2.947 19087 7010 1 13 . 1 1 109 109 LEU CB C 109 42.241 42.241 41.728 0.513 19087 7011 1 13 . 1 1 109 109 LEU H H 109 7.630 7.630 7.670 -0.040 19087 7012 1 13 . 1 1 110 110 SER N N 110 117.031 117.031 115.224 1.807 19087 7013 1 13 . 1 1 110 110 SER HA H 110 3.943 3.943 4.138 -0.195 19087 7014 1 13 . 1 1 110 110 SER C C 110 174.273 174.273 175.472 -1.199 19087 7015 1 13 . 1 1 110 110 SER CA C 110 59.543 59.543 60.980 -1.437 19087 7016 1 13 . 1 1 110 110 SER CB C 110 63.609 63.609 63.472 0.137 19087 7017 1 13 . 1 1 110 110 SER H H 110 7.757 7.757 7.816 -0.059 19087 7018 1 13 . 1 1 111 111 ASP N N 111 117.804 117.804 117.279 0.525 19087 7019 1 13 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.790 -0.208 19087 7020 1 13 . 1 1 111 111 ASP C C 111 176.760 176.760 175.439 1.321 19087 7021 1 13 . 1 1 111 111 ASP CA C 111 53.976 53.976 54.469 -0.493 19087 7022 1 13 . 1 1 111 111 ASP CB C 111 40.183 40.183 43.106 -2.923 19087 7023 1 13 . 1 1 111 111 ASP H H 111 8.315 8.315 7.779 0.536 19087 7024 1 13 . 1 1 112 112 GLN N N 112 119.300 119.300 118.322 0.978 19087 7025 1 13 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.270 0.030 19087 7026 1 13 . 1 1 112 112 GLN CA C 112 55.014 55.014 55.921 -0.907 19087 7027 1 13 . 1 1 112 112 GLN CB C 112 26.568 26.568 27.235 -0.667 19087 7028 1 13 . 1 1 112 112 GLN H H 112 7.212 7.212 8.146 -0.934 19087 7029 1 13 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.393 0.134 19087 7030 1 13 . 1 1 114 114 PRO C C 114 175.464 175.464 176.141 -0.677 19087 7031 1 13 . 1 1 114 114 PRO CA C 114 64.069 64.069 62.859 1.210 19087 7032 1 13 . 1 1 114 114 PRO CB C 114 32.447 32.447 31.528 0.919 19087 7033 1 13 . 1 1 115 115 GLY N N 115 113.817 113.817 110.241 3.576 19087 7034 1 13 . 1 1 115 115 GLY C C 115 173.552 173.552 173.479 0.073 19087 7035 1 13 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.380 -0.427 19087 7036 1 13 . 1 1 115 115 GLY H H 115 8.443 8.443 8.093 0.350 19087 7037 1 13 . 1 1 116 116 VAL N N 116 122.049 122.049 121.677 0.372 19087 7038 1 13 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.115 0.016 19087 7039 1 13 . 1 1 116 116 VAL C C 116 174.533 174.533 176.212 -1.679 19087 7040 1 13 . 1 1 116 116 VAL CA C 116 63.916 63.916 64.679 -0.763 19087 7041 1 13 . 1 1 116 116 VAL CB C 116 32.342 32.342 31.961 0.381 19087 7042 1 13 . 1 1 116 116 VAL H H 116 8.957 8.957 8.217 0.740 19087 7043 1 13 . 1 1 117 117 ILE N N 117 126.102 126.102 124.257 1.845 19087 7044 1 13 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.166 -0.227 19087 7045 1 13 . 1 1 117 117 ILE C C 117 174.181 174.181 174.843 -0.662 19087 7046 1 13 . 1 1 117 117 ILE CA C 117 60.069 60.069 59.230 0.840 19087 7047 1 13 . 1 1 117 117 ILE CB C 117 42.368 42.368 39.093 3.275 19087 7048 1 13 . 1 1 117 117 ILE H H 117 7.863 7.863 8.404 -0.541 19087 7049 1 13 . 1 1 118 118 VAL N N 118 127.665 127.665 128.507 -0.842 19087 7050 1 13 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.371 0.553 19087 7051 1 13 . 1 1 118 118 VAL C C 118 175.224 175.224 174.059 1.165 19087 7052 1 13 . 1 1 118 118 VAL CA C 118 60.580 60.580 60.377 0.203 19087 7053 1 13 . 1 1 118 118 VAL CB C 118 33.945 33.945 32.844 1.101 19087 7054 1 13 . 1 1 118 118 VAL H H 118 9.348 9.348 8.552 0.796 19087 7055 1 13 . 1 1 119 119 VAL N N 119 121.828 121.828 129.612 -7.784 19087 7056 1 13 . 1 1 119 119 VAL HA H 119 5.563 5.563 5.378 0.185 19087 7057 1 13 . 1 1 119 119 VAL C C 119 174.425 174.425 175.248 -0.823 19087 7058 1 13 . 1 1 119 119 VAL CA C 119 58.691 58.691 60.400 -1.709 19087 7059 1 13 . 1 1 119 119 VAL CB C 119 32.886 32.886 33.469 -0.583 19087 7060 1 13 . 1 1 119 119 VAL H H 119 9.096 9.096 8.374 0.722 19087 7061 1 13 . 1 1 120 120 VAL N N 120 120.260 120.260 127.450 -7.190 19087 7062 1 13 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.324 0.494 19087 7063 1 13 . 1 1 120 120 VAL C C 120 175.649 175.649 175.295 0.354 19087 7064 1 13 . 1 1 120 120 VAL CA C 120 60.631 60.631 61.255 -0.624 19087 7065 1 13 . 1 1 120 120 VAL CB C 120 34.550 34.550 33.556 0.994 19087 7066 1 13 . 1 1 120 120 VAL H H 120 8.809 8.809 8.345 0.464 19087 7067 1 13 . 1 1 121 121 THR N N 121 114.564 114.564 117.982 -3.418 19087 7068 1 13 . 1 1 121 121 THR HA H 121 4.428 4.428 4.498 -0.070 19087 7069 1 13 . 1 1 121 121 THR C C 121 173.833 173.833 173.634 0.199 19087 7070 1 13 . 1 1 121 121 THR CA C 121 60.834 60.834 60.090 0.744 19087 7071 1 13 . 1 1 121 121 THR CB C 121 69.413 69.413 70.148 -0.735 19087 7072 1 13 . 1 1 121 121 THR H H 121 7.859 7.859 8.327 -0.468 19087 7073 1 14 . 1 1 6 6 SER C C 6 174.665 174.665 175.115 -0.450 19087 7074 1 14 . 1 1 6 6 SER CA C 6 58.745 58.745 58.272 0.473 19087 7075 1 14 . 1 1 6 6 SER CB C 6 63.870 63.870 63.664 0.206 19087 7076 1 14 . 1 1 7 7 GLU N N 7 122.278 122.278 120.620 1.658 19087 7077 1 14 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.392 0.336 19087 7078 1 14 . 1 1 7 7 GLU C C 7 176.279 176.279 176.078 0.201 19087 7079 1 14 . 1 1 7 7 GLU CA C 7 56.894 56.894 56.942 -0.048 19087 7080 1 14 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.492 0.717 19087 7081 1 14 . 1 1 7 7 GLU H H 7 8.475 8.475 8.375 0.100 19087 7082 1 14 . 1 1 8 8 ASP N N 8 120.753 120.753 120.923 -0.170 19087 7083 1 14 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.390 0.319 19087 7084 1 14 . 1 1 8 8 ASP C C 8 176.070 176.070 176.465 -0.395 19087 7085 1 14 . 1 1 8 8 ASP CA C 8 54.366 54.366 55.467 -1.101 19087 7086 1 14 . 1 1 8 8 ASP CB C 8 41.459 41.459 40.739 0.720 19087 7087 1 14 . 1 1 8 8 ASP H H 8 8.206 8.206 7.956 0.250 19087 7088 1 14 . 1 1 9 9 ASP N N 9 121.430 121.430 118.560 2.870 19087 7089 1 14 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.409 0.294 19087 7090 1 14 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.014 0.430 19087 7091 1 14 . 1 1 9 9 ASP CB C 9 41.220 41.220 40.707 0.513 19087 7092 1 14 . 1 1 9 9 ASP H H 9 8.256 8.256 8.403 -0.147 19087 7093 1 14 . 1 1 11 11 SER C C 11 174.517 174.517 172.856 1.661 19087 7094 1 14 . 1 1 11 11 SER CA C 11 59.364 59.364 57.939 1.425 19087 7095 1 14 . 1 1 11 11 SER CB C 11 63.989 63.989 64.300 -0.311 19087 7096 1 14 . 1 1 12 12 ALA N N 12 125.500 125.500 127.985 -2.485 19087 7097 1 14 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.629 -0.273 19087 7098 1 14 . 1 1 12 12 ALA C C 12 177.811 177.811 175.911 1.900 19087 7099 1 14 . 1 1 12 12 ALA CA C 12 52.815 52.815 51.948 0.867 19087 7100 1 14 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.297 -1.093 19087 7101 1 14 . 1 1 12 12 ALA H H 12 8.087 8.087 8.522 -0.435 19087 7102 1 14 . 1 1 13 13 ILE N N 13 119.045 119.045 121.773 -2.728 19087 7103 1 14 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.542 -0.349 19087 7104 1 14 . 1 1 13 13 ILE CA C 13 61.163 61.163 61.297 -0.134 19087 7105 1 14 . 1 1 13 13 ILE CB C 13 38.721 38.721 39.181 -0.460 19087 7106 1 14 . 1 1 13 13 ILE H H 13 7.938 7.938 8.392 -0.454 19087 7107 1 14 . 1 1 14 14 SER N N 14 119.662 119.662 123.154 -3.492 19087 7108 1 14 . 1 1 14 14 SER H H 14 8.339 8.339 8.656 -0.317 19087 7109 1 14 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.576 -0.290 19087 7110 1 14 . 1 1 21 21 ALA C C 21 177.013 177.013 175.211 1.802 19087 7111 1 14 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.983 -0.398 19087 7112 1 14 . 1 1 21 21 ALA CB C 21 19.339 19.339 20.416 -1.077 19087 7113 1 14 . 1 1 22 22 ALA N N 22 124.579 124.579 124.003 0.576 19087 7114 1 14 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.635 0.090 19087 7115 1 14 . 1 1 22 22 ALA CA C 22 50.310 50.310 51.005 -0.695 19087 7116 1 14 . 1 1 22 22 ALA CB C 22 18.232 18.232 19.434 -1.202 19087 7117 1 14 . 1 1 22 22 ALA H H 22 8.182 8.182 8.197 -0.015 19087 7118 1 14 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.559 -0.424 19087 7119 1 14 . 1 1 28 28 VAL C C 28 175.779 175.779 174.676 1.103 19087 7120 1 14 . 1 1 28 28 VAL CA C 28 62.167 62.167 61.005 1.161 19087 7121 1 14 . 1 1 28 28 VAL CB C 28 32.681 32.681 32.940 -0.259 19087 7122 1 14 . 1 1 29 29 LYS N N 29 126.858 126.858 124.490 2.368 19087 7123 1 14 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.733 -0.021 19087 7124 1 14 . 1 1 29 29 LYS CA C 29 54.135 54.135 54.189 -0.054 19087 7125 1 14 . 1 1 29 29 LYS CB C 29 32.646 32.646 33.132 -0.486 19087 7126 1 14 . 1 1 29 29 LYS H H 29 8.346 8.346 8.468 -0.122 19087 7127 1 14 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.742 -0.340 19087 7128 1 14 . 1 1 30 30 PRO C C 30 176.435 176.435 175.590 0.845 19087 7129 1 14 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.604 0.172 19087 7130 1 14 . 1 1 30 30 PRO CB C 30 32.154 32.154 33.077 -0.923 19087 7131 1 14 . 1 1 31 31 ALA N N 31 124.680 124.680 122.542 2.138 19087 7132 1 14 . 1 1 31 31 ALA HA H 31 4.347 4.347 5.091 -0.744 19087 7133 1 14 . 1 1 31 31 ALA C C 31 176.860 176.860 175.946 0.914 19087 7134 1 14 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.554 0.762 19087 7135 1 14 . 1 1 31 31 ALA CB C 31 19.398 19.398 20.887 -1.489 19087 7136 1 14 . 1 1 31 31 ALA H H 31 8.324 8.324 8.735 -0.411 19087 7137 1 14 . 1 1 32 32 ALA N N 32 125.011 125.011 123.143 1.868 19087 7138 1 14 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.693 0.043 19087 7139 1 14 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.983 -0.496 19087 7140 1 14 . 1 1 32 32 ALA CB C 32 18.203 18.203 18.996 -0.793 19087 7141 1 14 . 1 1 32 32 ALA H H 32 8.246 8.246 8.327 -0.081 19087 7142 1 14 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.624 -0.158 19087 7143 1 14 . 1 1 33 33 PRO C C 33 176.834 176.834 175.503 1.331 19087 7144 1 14 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.328 0.497 19087 7145 1 14 . 1 1 33 33 PRO CB C 33 31.995 31.995 33.046 -1.051 19087 7146 1 14 . 1 1 34 34 ARG N N 34 121.170 121.170 118.182 2.988 19087 7147 1 14 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.574 -0.188 19087 7148 1 14 . 1 1 34 34 ARG C C 34 175.853 175.853 174.634 1.219 19087 7149 1 14 . 1 1 34 34 ARG CA C 34 55.912 55.912 55.422 0.490 19087 7150 1 14 . 1 1 34 34 ARG CB C 34 31.672 31.672 33.567 -1.895 19087 7151 1 14 . 1 1 34 34 ARG H H 34 8.349 8.349 8.382 -0.033 19087 7152 1 14 . 1 1 35 35 ALA N N 35 124.878 124.878 123.014 1.864 19087 7153 1 14 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.645 -0.033 19087 7154 1 14 . 1 1 35 35 ALA C C 35 176.170 176.170 175.140 1.030 19087 7155 1 14 . 1 1 35 35 ALA CA C 35 51.566 51.566 51.839 -0.273 19087 7156 1 14 . 1 1 35 35 ALA CB C 35 20.722 20.722 21.458 -0.736 19087 7157 1 14 . 1 1 35 35 ALA H H 35 8.008 8.008 8.433 -0.425 19087 7158 1 14 . 1 1 36 36 GLU N N 36 119.776 119.776 124.077 -4.301 19087 7159 1 14 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.819 -0.388 19087 7160 1 14 . 1 1 36 36 GLU C C 36 174.618 174.618 175.250 -0.632 19087 7161 1 14 . 1 1 36 36 GLU CA C 36 56.472 56.472 55.243 1.229 19087 7162 1 14 . 1 1 36 36 GLU CB C 36 31.124 31.124 30.874 0.250 19087 7163 1 14 . 1 1 36 36 GLU H H 36 8.495 8.495 8.541 -0.046 19087 7164 1 14 . 1 1 37 37 VAL N N 37 119.808 119.808 125.765 -5.957 19087 7165 1 14 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.158 0.744 19087 7166 1 14 . 1 1 37 37 VAL C C 37 174.285 174.285 174.545 -0.260 19087 7167 1 14 . 1 1 37 37 VAL CA C 37 60.639 60.639 62.237 -1.598 19087 7168 1 14 . 1 1 37 37 VAL CB C 37 34.612 34.612 32.663 1.949 19087 7169 1 14 . 1 1 37 37 VAL H H 37 8.494 8.494 8.775 -0.281 19087 7170 1 14 . 1 1 38 38 ARG N N 38 124.534 124.534 127.849 -3.315 19087 7171 1 14 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.200 -0.274 19087 7172 1 14 . 1 1 38 38 ARG C C 38 174.239 174.239 174.587 -0.348 19087 7173 1 14 . 1 1 38 38 ARG CA C 38 55.092 55.092 55.002 0.090 19087 7174 1 14 . 1 1 38 38 ARG CB C 38 34.190 34.190 33.803 0.387 19087 7175 1 14 . 1 1 38 38 ARG H H 38 8.652 8.652 8.958 -0.306 19087 7176 1 14 . 1 1 39 39 VAL N N 39 121.231 121.231 128.099 -6.868 19087 7177 1 14 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.407 0.391 19087 7178 1 14 . 1 1 39 39 VAL C C 39 173.357 173.357 174.583 -1.226 19087 7179 1 14 . 1 1 39 39 VAL CA C 39 60.638 60.638 62.407 -1.770 19087 7180 1 14 . 1 1 39 39 VAL CB C 39 34.294 34.294 32.268 2.026 19087 7181 1 14 . 1 1 39 39 VAL H H 39 7.934 7.934 8.633 -0.699 19087 7182 1 14 . 1 1 40 40 TYR N N 40 122.262 122.262 127.224 -4.962 19087 7183 1 14 . 1 1 40 40 TYR HA H 40 5.154 5.154 4.991 0.163 19087 7184 1 14 . 1 1 40 40 TYR C C 40 175.124 175.124 174.904 0.220 19087 7185 1 14 . 1 1 40 40 TYR CA C 40 55.540 55.540 55.892 -0.352 19087 7186 1 14 . 1 1 40 40 TYR CB C 40 42.223 42.223 41.923 0.300 19087 7187 1 14 . 1 1 40 40 TYR H H 40 9.343 9.343 8.878 0.465 19087 7188 1 14 . 1 1 41 41 ASN N N 41 121.684 121.684 122.798 -1.114 19087 7189 1 14 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.319 -0.287 19087 7190 1 14 . 1 1 41 41 ASN C C 41 176.301 176.301 175.626 0.675 19087 7191 1 14 . 1 1 41 41 ASN CA C 41 52.635 52.635 53.500 -0.865 19087 7192 1 14 . 1 1 41 41 ASN CB C 41 39.836 39.836 40.014 -0.179 19087 7193 1 14 . 1 1 41 41 ASN H H 41 9.287 9.287 8.649 0.638 19087 7194 1 14 . 1 1 42 42 ILE N N 42 119.462 119.462 126.012 -6.550 19087 7195 1 14 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.393 1.057 19087 7196 1 14 . 1 1 42 42 ILE C C 42 176.450 176.450 175.561 0.889 19087 7197 1 14 . 1 1 42 42 ILE CA C 42 60.513 60.513 61.410 -0.897 19087 7198 1 14 . 1 1 42 42 ILE CB C 42 38.597 38.597 39.205 -0.607 19087 7199 1 14 . 1 1 42 42 ILE H H 42 8.541 8.541 8.365 0.176 19087 7200 1 14 . 1 1 43 43 SER N N 43 118.212 118.212 114.392 3.820 19087 7201 1 14 . 1 1 43 43 SER HA H 43 4.729 4.729 4.706 0.023 19087 7202 1 14 . 1 1 43 43 SER CA C 43 58.598 58.598 56.604 1.994 19087 7203 1 14 . 1 1 43 43 SER CB C 43 66.262 66.262 65.358 0.904 19087 7204 1 14 . 1 1 43 43 SER H H 43 8.142 8.142 7.391 0.751 19087 7205 1 14 . 1 1 44 44 GLY C C 44 174.414 174.414 173.772 0.642 19087 7206 1 14 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.311 0.068 19087 7207 1 14 . 1 1 45 45 THR N N 45 116.371 116.371 116.130 0.241 19087 7208 1 14 . 1 1 45 45 THR HA H 45 4.384 4.384 4.481 -0.097 19087 7209 1 14 . 1 1 45 45 THR CA C 45 61.814 61.814 62.258 -0.444 19087 7210 1 14 . 1 1 45 45 THR CB C 45 69.787 69.787 69.611 0.176 19087 7211 1 14 . 1 1 45 45 THR H H 45 8.298 8.298 8.110 0.188 19087 7212 1 14 . 1 1 47 47 GLY C C 47 175.691 175.691 176.028 -0.337 19087 7213 1 14 . 1 1 47 47 GLY CA C 47 46.191 46.191 46.998 -0.807 19087 7214 1 14 . 1 1 48 48 ALA N N 48 121.957 121.957 124.236 -2.279 19087 7215 1 14 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.026 0.003 19087 7216 1 14 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.548 0.854 19087 7217 1 14 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.458 0.034 19087 7218 1 14 . 1 1 48 48 ALA H H 48 7.511 7.511 8.333 -0.822 19087 7219 1 14 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.916 0.068 19087 7220 1 14 . 1 1 49 49 ALA C C 49 178.073 178.073 179.158 -1.085 19087 7221 1 14 . 1 1 49 49 ALA CA C 49 54.861 54.861 55.006 -0.145 19087 7222 1 14 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.340 0.349 19087 7223 1 14 . 1 1 50 50 ALA N N 50 122.654 122.654 119.620 3.034 19087 7224 1 14 . 1 1 50 50 ALA HA H 50 3.989 3.989 4.031 -0.042 19087 7225 1 14 . 1 1 50 50 ALA C C 50 179.642 179.642 179.085 0.557 19087 7226 1 14 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.303 1.548 19087 7227 1 14 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.575 -0.787 19087 7228 1 14 . 1 1 50 50 ALA H H 50 7.965 7.965 7.567 0.398 19087 7229 1 14 . 1 1 51 51 ARG N N 51 116.659 116.659 118.854 -2.195 19087 7230 1 14 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.155 0.036 19087 7231 1 14 . 1 1 51 51 ARG C C 51 179.931 179.931 178.510 1.421 19087 7232 1 14 . 1 1 51 51 ARG CA C 51 59.512 59.512 57.910 1.602 19087 7233 1 14 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.470 0.993 19087 7234 1 14 . 1 1 51 51 ARG H H 51 7.982 7.982 7.970 0.012 19087 7235 1 14 . 1 1 52 52 THR N N 52 117.745 117.745 113.859 3.886 19087 7236 1 14 . 1 1 52 52 THR HA H 52 4.162 4.162 4.024 0.138 19087 7237 1 14 . 1 1 52 52 THR C C 52 175.626 175.626 176.151 -0.525 19087 7238 1 14 . 1 1 52 52 THR CA C 52 68.565 68.565 66.290 2.275 19087 7239 1 14 . 1 1 52 52 THR CB C 52 70.787 70.787 68.008 2.779 19087 7240 1 14 . 1 1 52 52 THR H H 52 7.661 7.661 8.044 -0.383 19087 7241 1 14 . 1 1 53 53 ALA N N 53 123.939 123.939 122.676 1.263 19087 7242 1 14 . 1 1 53 53 ALA HA H 53 3.886 3.886 4.100 -0.214 19087 7243 1 14 . 1 1 53 53 ALA C C 53 179.013 179.013 178.676 0.337 19087 7244 1 14 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.206 1.991 19087 7245 1 14 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.274 0.443 19087 7246 1 14 . 1 1 53 53 ALA H H 53 8.805 8.805 7.816 0.989 19087 7247 1 14 . 1 1 54 54 ASP N N 54 118.351 118.351 117.978 0.373 19087 7248 1 14 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.364 0.068 19087 7249 1 14 . 1 1 54 54 ASP C C 54 179.376 179.376 177.825 1.551 19087 7250 1 14 . 1 1 54 54 ASP CA C 54 58.007 58.007 56.395 1.612 19087 7251 1 14 . 1 1 54 54 ASP CB C 54 40.242 40.242 41.260 -1.018 19087 7252 1 14 . 1 1 54 54 ASP H H 54 8.327 8.327 7.759 0.568 19087 7253 1 14 . 1 1 55 55 ARG N N 55 121.120 121.120 118.878 2.242 19087 7254 1 14 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.215 -0.040 19087 7255 1 14 . 1 1 55 55 ARG C C 55 179.550 179.550 178.483 1.067 19087 7256 1 14 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.049 1.236 19087 7257 1 14 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.391 -0.071 19087 7258 1 14 . 1 1 55 55 ARG H H 55 7.723 7.723 7.860 -0.137 19087 7259 1 14 . 1 1 56 56 LEU N N 56 118.659 118.659 120.592 -1.933 19087 7260 1 14 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.232 0.100 19087 7261 1 14 . 1 1 56 56 LEU C C 56 179.305 179.305 178.306 0.999 19087 7262 1 14 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.034 0.403 19087 7263 1 14 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.897 -0.610 19087 7264 1 14 . 1 1 56 56 LEU H H 56 8.215 8.215 7.821 0.394 19087 7265 1 14 . 1 1 57 57 LYS N N 57 122.713 122.713 119.169 3.544 19087 7266 1 14 . 1 1 57 57 LYS HA H 57 4.513 4.513 3.706 0.807 19087 7267 1 14 . 1 1 57 57 LYS C C 57 181.436 181.436 178.279 3.157 19087 7268 1 14 . 1 1 57 57 LYS CA C 57 60.004 60.004 58.771 1.233 19087 7269 1 14 . 1 1 57 57 LYS CB C 57 32.437 32.437 31.166 1.271 19087 7270 1 14 . 1 1 57 57 LYS H H 57 8.914 8.914 7.876 1.038 19087 7271 1 14 . 1 1 58 58 ALA N N 58 122.423 122.423 121.790 0.633 19087 7272 1 14 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.324 -0.114 19087 7273 1 14 . 1 1 58 58 ALA C C 58 178.516 178.516 178.283 0.233 19087 7274 1 14 . 1 1 58 58 ALA CA C 58 55.069 55.069 53.731 1.337 19087 7275 1 14 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.259 -0.350 19087 7276 1 14 . 1 1 58 58 ALA H H 58 8.026 8.026 7.594 0.432 19087 7277 1 14 . 1 1 59 59 ALA N N 59 118.347 118.347 120.159 -1.812 19087 7278 1 14 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.374 0.112 19087 7279 1 14 . 1 1 59 59 ALA C C 59 176.797 176.797 177.891 -1.094 19087 7280 1 14 . 1 1 59 59 ALA CA C 59 51.758 51.758 51.745 0.014 19087 7281 1 14 . 1 1 59 59 ALA CB C 59 19.369 19.369 18.934 0.435 19087 7282 1 14 . 1 1 59 59 ALA H H 59 7.413 7.413 7.338 0.075 19087 7283 1 14 . 1 1 60 60 GLY N N 60 104.918 104.918 109.054 -4.136 19087 7284 1 14 . 1 1 60 60 GLY C C 60 174.741 174.741 174.569 0.172 19087 7285 1 14 . 1 1 60 60 GLY CA C 60 45.236 45.236 45.105 0.131 19087 7286 1 14 . 1 1 60 60 GLY H H 60 7.694 7.694 7.791 -0.097 19087 7287 1 14 . 1 1 61 61 PHE N N 61 118.862 118.862 116.783 2.079 19087 7288 1 14 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.511 -0.016 19087 7289 1 14 . 1 1 61 61 PHE C C 61 175.204 175.204 176.037 -0.833 19087 7290 1 14 . 1 1 61 61 PHE CA C 61 58.483 58.483 56.338 2.145 19087 7291 1 14 . 1 1 61 61 PHE CB C 61 39.163 39.163 38.974 0.189 19087 7292 1 14 . 1 1 61 61 PHE H H 61 7.879 7.879 7.980 -0.101 19087 7293 1 14 . 1 1 62 62 THR N N 62 121.319 121.319 117.143 4.176 19087 7294 1 14 . 1 1 62 62 THR HA H 62 4.303 4.303 4.048 0.255 19087 7295 1 14 . 1 1 62 62 THR C C 62 173.073 173.073 173.696 -0.623 19087 7296 1 14 . 1 1 62 62 THR CA C 62 69.389 69.389 63.916 5.473 19087 7297 1 14 . 1 1 62 62 THR CB C 62 62.478 62.478 69.351 -6.873 19087 7298 1 14 . 1 1 62 62 THR H H 62 9.493 9.493 8.519 0.974 19087 7299 1 14 . 1 1 63 63 VAL N N 63 128.406 128.406 119.967 8.439 19087 7300 1 14 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.657 0.003 19087 7301 1 14 . 1 1 63 63 VAL C C 63 177.267 177.267 173.831 3.436 19087 7302 1 14 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.100 -1.001 19087 7303 1 14 . 1 1 63 63 VAL CB C 63 32.572 32.572 34.291 -1.719 19087 7304 1 14 . 1 1 63 63 VAL H H 63 8.293 8.293 7.685 0.608 19087 7305 1 14 . 1 1 64 64 THR N N 64 118.495 118.495 121.993 -3.498 19087 7306 1 14 . 1 1 64 64 THR HA H 64 4.350 4.350 5.620 -1.270 19087 7307 1 14 . 1 1 64 64 THR CA C 64 62.182 62.182 60.906 1.276 19087 7308 1 14 . 1 1 64 64 THR CB C 64 69.143 69.143 70.623 -1.480 19087 7309 1 14 . 1 1 64 64 THR H H 64 8.770 8.770 8.412 0.358 19087 7310 1 14 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.889 -0.588 19087 7311 1 14 . 1 1 65 65 ASP C C 65 173.778 173.778 174.038 -0.260 19087 7312 1 14 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.512 0.775 19087 7313 1 14 . 1 1 65 65 ASP CB C 65 44.018 44.018 44.334 -0.316 19087 7314 1 14 . 1 1 66 66 VAL N N 66 121.705 121.705 122.694 -0.989 19087 7315 1 14 . 1 1 66 66 VAL HA H 66 4.863 4.863 4.821 0.042 19087 7316 1 14 . 1 1 66 66 VAL C C 66 176.234 176.234 175.232 1.002 19087 7317 1 14 . 1 1 66 66 VAL CA C 66 60.597 60.597 60.987 -0.390 19087 7318 1 14 . 1 1 66 66 VAL CB C 66 34.120 34.120 34.829 -0.709 19087 7319 1 14 . 1 1 66 66 VAL H H 66 7.849 7.849 8.389 -0.540 19087 7320 1 14 . 1 1 67 67 GLY N N 67 112.050 112.050 113.676 -1.626 19087 7321 1 14 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.114 0.505 19087 7322 1 14 . 1 1 67 67 GLY H H 67 8.151 8.151 8.875 -0.724 19087 7323 1 14 . 1 1 68 68 ASN C C 68 173.771 173.771 173.764 0.007 19087 7324 1 14 . 1 1 68 68 ASN CA C 68 53.062 53.062 52.297 0.765 19087 7325 1 14 . 1 1 68 68 ASN CB C 68 39.832 39.832 40.884 -1.052 19087 7326 1 14 . 1 1 69 69 LEU N N 69 121.003 121.003 123.145 -2.142 19087 7327 1 14 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.441 0.096 19087 7328 1 14 . 1 1 69 69 LEU C C 69 174.751 174.751 175.234 -0.483 19087 7329 1 14 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.550 -0.625 19087 7330 1 14 . 1 1 69 69 LEU CB C 69 47.313 47.313 44.971 2.342 19087 7331 1 14 . 1 1 69 69 LEU H H 69 8.276 8.276 8.560 -0.284 19087 7332 1 14 . 1 1 70 70 SER N N 70 116.269 116.269 121.064 -4.795 19087 7333 1 14 . 1 1 70 70 SER C C 70 173.777 173.777 174.174 -0.397 19087 7334 1 14 . 1 1 70 70 SER CA C 70 56.923 56.923 58.561 -1.638 19087 7335 1 14 . 1 1 70 70 SER CB C 70 63.219 63.219 62.575 0.644 19087 7336 1 14 . 1 1 70 70 SER H H 70 8.122 8.122 8.507 -0.385 19087 7337 1 14 . 1 1 71 71 LEU N N 71 127.999 127.999 129.683 -1.684 19087 7338 1 14 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.771 -0.015 19087 7339 1 14 . 1 1 71 71 LEU CA C 71 52.165 52.165 51.992 0.173 19087 7340 1 14 . 1 1 71 71 LEU CB C 71 44.179 44.179 42.182 1.997 19087 7341 1 14 . 1 1 71 71 LEU H H 71 8.293 8.293 7.871 0.422 19087 7342 1 14 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.447 -0.087 19087 7343 1 14 . 1 1 72 72 PRO C C 72 176.922 176.922 176.367 0.555 19087 7344 1 14 . 1 1 72 72 PRO CA C 72 64.244 64.244 63.899 0.345 19087 7345 1 14 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.730 0.737 19087 7346 1 14 . 1 1 73 73 ASP N N 73 115.106 115.106 117.525 -2.419 19087 7347 1 14 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.471 0.087 19087 7348 1 14 . 1 1 73 73 ASP C C 73 175.809 175.809 176.071 -0.262 19087 7349 1 14 . 1 1 73 73 ASP CA C 73 55.145 55.145 55.404 -0.259 19087 7350 1 14 . 1 1 73 73 ASP CB C 73 40.778 40.778 40.930 -0.152 19087 7351 1 14 . 1 1 73 73 ASP H H 73 8.431 8.431 8.287 0.144 19087 7352 1 14 . 1 1 74 74 VAL N N 74 122.218 122.218 118.807 3.411 19087 7353 1 14 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.316 -0.350 19087 7354 1 14 . 1 1 74 74 VAL C C 74 175.339 175.339 173.821 1.518 19087 7355 1 14 . 1 1 74 74 VAL CA C 74 63.871 63.871 61.042 2.829 19087 7356 1 14 . 1 1 74 74 VAL CB C 74 32.075 32.075 34.200 -2.125 19087 7357 1 14 . 1 1 74 74 VAL H H 74 7.468 7.468 7.411 0.057 19087 7358 1 14 . 1 1 75 75 ALA N N 75 128.630 128.630 129.878 -1.248 19087 7359 1 14 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.603 -0.178 19087 7360 1 14 . 1 1 75 75 ALA C C 75 176.404 176.404 175.998 0.406 19087 7361 1 14 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.148 0.279 19087 7362 1 14 . 1 1 75 75 ALA CB C 75 20.471 20.471 18.964 1.507 19087 7363 1 14 . 1 1 75 75 ALA H H 75 8.581 8.581 8.399 0.182 19087 7364 1 14 . 1 1 76 76 ALA N N 76 120.481 120.481 123.127 -2.646 19087 7365 1 14 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.611 0.046 19087 7366 1 14 . 1 1 76 76 ALA C C 76 175.925 175.925 175.591 0.334 19087 7367 1 14 . 1 1 76 76 ALA CA C 76 50.995 50.995 52.099 -1.104 19087 7368 1 14 . 1 1 76 76 ALA CB C 76 22.365 22.365 21.040 1.325 19087 7369 1 14 . 1 1 76 76 ALA H H 76 7.438 7.438 7.759 -0.321 19087 7370 1 14 . 1 1 77 77 THR N N 77 121.464 121.464 117.419 4.045 19087 7371 1 14 . 1 1 77 77 THR HA H 77 4.734 4.734 4.756 -0.022 19087 7372 1 14 . 1 1 77 77 THR C C 77 174.143 174.143 174.065 0.078 19087 7373 1 14 . 1 1 77 77 THR CA C 77 63.914 63.914 61.900 2.014 19087 7374 1 14 . 1 1 77 77 THR CB C 77 70.070 70.070 68.462 1.608 19087 7375 1 14 . 1 1 77 77 THR H H 77 8.390 8.390 8.428 -0.038 19087 7376 1 14 . 1 1 78 78 THR N N 78 123.538 123.538 123.419 0.119 19087 7377 1 14 . 1 1 78 78 THR HA H 78 4.644 4.644 4.542 0.102 19087 7378 1 14 . 1 1 78 78 THR C C 78 181.684 181.684 172.410 9.274 19087 7379 1 14 . 1 1 78 78 THR CA C 78 62.511 62.511 61.498 1.013 19087 7380 1 14 . 1 1 78 78 THR CB C 78 72.846 72.846 72.625 0.221 19087 7381 1 14 . 1 1 78 78 THR H H 78 8.355 8.355 8.717 -0.362 19087 7382 1 14 . 1 1 79 79 VAL N N 79 126.455 126.455 125.167 1.288 19087 7383 1 14 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.104 0.491 19087 7384 1 14 . 1 1 79 79 VAL C C 79 173.702 173.702 174.443 -0.741 19087 7385 1 14 . 1 1 79 79 VAL CA C 79 60.385 60.385 61.987 -1.602 19087 7386 1 14 . 1 1 79 79 VAL CB C 79 33.089 33.089 32.016 1.073 19087 7387 1 14 . 1 1 79 79 VAL H H 79 8.685 8.685 8.507 0.178 19087 7388 1 14 . 1 1 80 80 TYR N N 80 123.574 123.574 127.149 -3.575 19087 7389 1 14 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.408 0.992 19087 7390 1 14 . 1 1 80 80 TYR C C 80 176.410 176.410 175.874 0.536 19087 7391 1 14 . 1 1 80 80 TYR CA C 80 56.608 56.608 55.881 0.727 19087 7392 1 14 . 1 1 80 80 TYR CB C 80 42.567 42.567 41.357 1.210 19087 7393 1 14 . 1 1 80 80 TYR H H 80 9.702 9.702 8.731 0.971 19087 7394 1 14 . 1 1 81 81 TYR N N 81 117.754 117.754 116.178 1.576 19087 7395 1 14 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.107 0.367 19087 7396 1 14 . 1 1 81 81 TYR C C 81 173.237 173.237 173.933 -0.696 19087 7397 1 14 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.893 -0.395 19087 7398 1 14 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.188 2.061 19087 7399 1 14 . 1 1 81 81 TYR H H 81 8.221 8.221 8.032 0.189 19087 7400 1 14 . 1 1 82 82 THR N N 82 111.056 111.056 110.444 0.612 19087 7401 1 14 . 1 1 82 82 THR HA H 82 4.724 4.724 4.575 0.149 19087 7402 1 14 . 1 1 82 82 THR C C 82 174.521 174.521 174.152 0.369 19087 7403 1 14 . 1 1 82 82 THR CA C 82 60.896 60.896 59.615 1.281 19087 7404 1 14 . 1 1 82 82 THR CB C 82 71.506 71.506 71.143 0.363 19087 7405 1 14 . 1 1 82 82 THR H H 82 8.245 8.245 8.110 0.135 19087 7406 1 14 . 1 1 83 83 GLU N N 83 117.058 117.058 117.330 -0.272 19087 7407 1 14 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.521 -0.044 19087 7408 1 14 . 1 1 83 83 GLU C C 83 176.152 176.152 175.976 0.176 19087 7409 1 14 . 1 1 83 83 GLU CA C 83 57.179 57.179 55.355 1.824 19087 7410 1 14 . 1 1 83 83 GLU CB C 83 28.714 28.714 29.204 -0.490 19087 7411 1 14 . 1 1 83 83 GLU H H 83 8.772 8.772 8.595 0.177 19087 7412 1 14 . 1 1 84 84 VAL N N 84 123.039 123.039 123.177 -0.138 19087 7413 1 14 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.961 -0.067 19087 7414 1 14 . 1 1 84 84 VAL C C 84 177.170 177.170 176.182 0.988 19087 7415 1 14 . 1 1 84 84 VAL CA C 84 63.678 63.678 63.337 0.341 19087 7416 1 14 . 1 1 84 84 VAL CB C 84 32.474 32.474 29.580 2.894 19087 7417 1 14 . 1 1 84 84 VAL H H 84 7.818 7.818 7.340 0.478 19087 7418 1 14 . 1 1 85 85 GLU N N 85 129.351 129.351 128.045 1.306 19087 7419 1 14 . 1 1 85 85 GLU HA H 85 3.892 3.892 4.002 -0.110 19087 7420 1 14 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.532 0.473 19087 7421 1 14 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.631 0.891 19087 7422 1 14 . 1 1 85 85 GLU H H 85 8.796 8.796 8.692 0.104 19087 7423 1 14 . 1 1 86 86 GLY C C 86 176.321 176.321 174.101 2.220 19087 7424 1 14 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.044 0.832 19087 7425 1 14 . 1 1 87 87 GLU N N 87 121.773 121.773 122.228 -0.455 19087 7426 1 14 . 1 1 87 87 GLU HA H 87 3.948 3.948 4.067 -0.119 19087 7427 1 14 . 1 1 87 87 GLU C C 87 178.276 178.276 177.948 0.328 19087 7428 1 14 . 1 1 87 87 GLU CA C 87 61.762 61.762 59.524 2.238 19087 7429 1 14 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.871 0.225 19087 7430 1 14 . 1 1 87 87 GLU H H 87 8.133 8.133 7.896 0.237 19087 7431 1 14 . 1 1 88 88 ARG N N 88 121.466 121.466 117.708 3.758 19087 7432 1 14 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.417 -0.055 19087 7433 1 14 . 1 1 88 88 ARG C C 88 177.229 177.229 177.552 -0.323 19087 7434 1 14 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.658 0.835 19087 7435 1 14 . 1 1 88 88 ARG CB C 88 29.059 29.059 28.368 0.691 19087 7436 1 14 . 1 1 88 88 ARG H H 88 9.132 9.132 8.298 0.834 19087 7437 1 14 . 1 1 89 89 ALA N N 89 119.527 119.527 121.220 -1.693 19087 7438 1 14 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.098 0.085 19087 7439 1 14 . 1 1 89 89 ALA C C 89 181.949 181.949 179.543 2.406 19087 7440 1 14 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.783 0.499 19087 7441 1 14 . 1 1 89 89 ALA CB C 89 18.128 18.128 17.942 0.186 19087 7442 1 14 . 1 1 89 89 ALA H H 89 8.388 8.388 7.254 1.134 19087 7443 1 14 . 1 1 90 90 THR N N 90 115.279 115.279 113.017 2.262 19087 7444 1 14 . 1 1 90 90 THR HA H 90 4.146 4.146 4.081 0.065 19087 7445 1 14 . 1 1 90 90 THR C C 90 175.118 175.118 176.368 -1.250 19087 7446 1 14 . 1 1 90 90 THR CA C 90 66.607 66.607 65.003 1.604 19087 7447 1 14 . 1 1 90 90 THR CB C 90 68.971 68.971 68.757 0.214 19087 7448 1 14 . 1 1 90 90 THR H H 90 7.640 7.640 7.699 -0.059 19087 7449 1 14 . 1 1 91 91 ALA N N 91 124.784 124.784 123.635 1.149 19087 7450 1 14 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.026 -0.257 19087 7451 1 14 . 1 1 91 91 ALA C C 91 178.546 178.546 178.840 -0.294 19087 7452 1 14 . 1 1 91 91 ALA CA C 91 55.552 55.552 55.254 0.298 19087 7453 1 14 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.409 0.844 19087 7454 1 14 . 1 1 91 91 ALA H H 91 9.095 9.095 7.742 1.353 19087 7455 1 14 . 1 1 92 92 ASP N N 92 118.310 118.310 118.929 -0.619 19087 7456 1 14 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.293 0.124 19087 7457 1 14 . 1 1 92 92 ASP C C 92 179.053 179.053 177.917 1.136 19087 7458 1 14 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.199 0.443 19087 7459 1 14 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.683 -0.254 19087 7460 1 14 . 1 1 92 92 ASP H H 92 8.898 8.898 7.919 0.979 19087 7461 1 14 . 1 1 93 93 ALA N N 93 122.980 122.980 121.284 1.696 19087 7462 1 14 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.174 0.100 19087 7463 1 14 . 1 1 93 93 ALA C C 93 180.933 180.933 179.685 1.248 19087 7464 1 14 . 1 1 93 93 ALA CA C 93 55.575 55.575 54.788 0.788 19087 7465 1 14 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.944 -0.768 19087 7466 1 14 . 1 1 93 93 ALA H H 93 7.424 7.424 7.374 0.050 19087 7467 1 14 . 1 1 94 94 VAL N N 94 123.968 123.968 118.121 5.847 19087 7468 1 14 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.758 -0.814 19087 7469 1 14 . 1 1 94 94 VAL C C 94 178.269 178.269 178.485 -0.216 19087 7470 1 14 . 1 1 94 94 VAL CA C 94 66.399 66.399 65.104 1.295 19087 7471 1 14 . 1 1 94 94 VAL CB C 94 30.703 30.703 30.861 -0.158 19087 7472 1 14 . 1 1 94 94 VAL H H 94 8.808 8.808 7.476 1.332 19087 7473 1 14 . 1 1 95 95 GLY N N 95 108.282 108.282 106.971 1.311 19087 7474 1 14 . 1 1 95 95 GLY C C 95 176.440 176.440 175.600 0.840 19087 7475 1 14 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.226 0.693 19087 7476 1 14 . 1 1 95 95 GLY H H 95 9.355 9.355 8.689 0.666 19087 7477 1 14 . 1 1 96 96 ARG N N 96 120.852 120.852 118.438 2.414 19087 7478 1 14 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.255 -0.052 19087 7479 1 14 . 1 1 96 96 ARG C C 96 179.101 179.101 178.243 0.858 19087 7480 1 14 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.427 0.783 19087 7481 1 14 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.229 0.305 19087 7482 1 14 . 1 1 96 96 ARG H H 96 8.112 8.112 7.371 0.741 19087 7483 1 14 . 1 1 97 97 THR N N 97 117.170 117.170 114.833 2.337 19087 7484 1 14 . 1 1 97 97 THR HA H 97 3.986 3.986 4.201 -0.215 19087 7485 1 14 . 1 1 97 97 THR C C 97 175.451 175.451 175.660 -0.209 19087 7486 1 14 . 1 1 97 97 THR CA C 97 66.867 66.867 65.086 1.781 19087 7487 1 14 . 1 1 97 97 THR CB C 97 68.205 68.205 69.045 -0.840 19087 7488 1 14 . 1 1 97 97 THR H H 97 7.854 7.854 7.845 0.009 19087 7489 1 14 . 1 1 98 98 LEU N N 98 115.294 115.294 120.818 -5.524 19087 7490 1 14 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.476 -0.171 19087 7491 1 14 . 1 1 98 98 LEU C C 98 177.537 177.537 177.590 -0.053 19087 7492 1 14 . 1 1 98 98 LEU CA C 98 54.583 54.583 54.852 -0.270 19087 7493 1 14 . 1 1 98 98 LEU CB C 98 43.373 43.373 43.237 0.136 19087 7494 1 14 . 1 1 98 98 LEU H H 98 7.855 7.855 7.671 0.184 19087 7495 1 14 . 1 1 99 99 GLY N N 99 111.931 111.931 106.348 5.583 19087 7496 1 14 . 1 1 99 99 GLY C C 99 173.997 173.997 174.218 -0.221 19087 7497 1 14 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.064 1.929 19087 7498 1 14 . 1 1 99 99 GLY H H 99 8.101 8.101 7.692 0.409 19087 7499 1 14 . 1 1 100 100 ALA N N 100 121.739 121.739 121.538 0.201 19087 7500 1 14 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.556 0.181 19087 7501 1 14 . 1 1 100 100 ALA C C 100 175.351 175.351 175.543 -0.192 19087 7502 1 14 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.727 -0.321 19087 7503 1 14 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.146 2.813 19087 7504 1 14 . 1 1 100 100 ALA H H 100 8.033 8.033 7.718 0.315 19087 7505 1 14 . 1 1 101 101 ALA N N 101 122.895 122.895 121.077 1.818 19087 7506 1 14 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.745 -0.536 19087 7507 1 14 . 1 1 101 101 ALA C C 101 175.179 175.179 175.882 -0.703 19087 7508 1 14 . 1 1 101 101 ALA CA C 101 52.737 52.737 50.715 2.022 19087 7509 1 14 . 1 1 101 101 ALA CB C 101 19.814 19.814 20.058 -0.245 19087 7510 1 14 . 1 1 101 101 ALA H H 101 7.782 7.782 8.548 -0.766 19087 7511 1 14 . 1 1 102 102 VAL N N 102 120.035 120.035 117.879 2.156 19087 7512 1 14 . 1 1 102 102 VAL HA H 102 5.054 5.054 5.449 -0.395 19087 7513 1 14 . 1 1 102 102 VAL C C 102 176.587 176.587 175.512 1.075 19087 7514 1 14 . 1 1 102 102 VAL CA C 102 60.988 60.988 59.620 1.368 19087 7515 1 14 . 1 1 102 102 VAL CB C 102 33.725 33.725 33.396 0.329 19087 7516 1 14 . 1 1 102 102 VAL H H 102 7.872 7.872 8.312 -0.440 19087 7517 1 14 . 1 1 103 103 GLU N N 103 126.469 126.469 125.489 0.980 19087 7518 1 14 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.551 0.328 19087 7519 1 14 . 1 1 103 103 GLU C C 103 174.343 174.343 174.608 -0.265 19087 7520 1 14 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.289 0.062 19087 7521 1 14 . 1 1 103 103 GLU CB C 103 35.595 35.595 34.023 1.573 19087 7522 1 14 . 1 1 103 103 GLU H H 103 9.215 9.215 8.304 0.911 19087 7523 1 14 . 1 1 104 104 LEU N N 104 123.109 123.109 119.687 3.422 19087 7524 1 14 . 1 1 104 104 LEU HA H 104 3.591 3.591 3.780 -0.189 19087 7525 1 14 . 1 1 104 104 LEU C C 104 178.379 178.379 178.216 0.163 19087 7526 1 14 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.663 -0.743 19087 7527 1 14 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.069 0.841 19087 7528 1 14 . 1 1 104 104 LEU H H 104 8.273 8.273 8.457 -0.184 19087 7529 1 14 . 1 1 105 105 ARG N N 105 119.790 119.790 118.783 1.007 19087 7530 1 14 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.148 0.113 19087 7531 1 14 . 1 1 105 105 ARG C C 105 177.043 177.043 175.847 1.196 19087 7532 1 14 . 1 1 105 105 ARG CA C 105 59.310 59.310 57.304 2.006 19087 7533 1 14 . 1 1 105 105 ARG CB C 105 32.077 32.077 30.830 1.247 19087 7534 1 14 . 1 1 105 105 ARG H H 105 8.300 8.300 8.474 -0.174 19087 7535 1 14 . 1 1 106 106 LEU N N 106 122.431 122.431 117.461 4.970 19087 7536 1 14 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.135 0.263 19087 7537 1 14 . 1 1 106 106 LEU CA C 106 54.701 54.701 54.353 0.348 19087 7538 1 14 . 1 1 106 106 LEU CB C 106 42.469 42.469 40.218 2.251 19087 7539 1 14 . 1 1 106 106 LEU H H 106 8.026 8.026 7.880 0.146 19087 7540 1 14 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.269 -0.030 19087 7541 1 14 . 1 1 107 107 PRO C C 107 179.627 179.627 177.455 2.172 19087 7542 1 14 . 1 1 107 107 PRO CA C 107 65.898 65.898 64.688 1.210 19087 7543 1 14 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.836 -0.317 19087 7544 1 14 . 1 1 108 108 GLU N N 108 116.744 116.744 117.267 -0.523 19087 7545 1 14 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.098 -0.000 19087 7546 1 14 . 1 1 108 108 GLU C C 108 176.957 176.957 177.670 -0.713 19087 7547 1 14 . 1 1 108 108 GLU CA C 108 59.584 59.584 59.007 0.577 19087 7548 1 14 . 1 1 108 108 GLU CB C 108 29.157 29.157 29.379 -0.222 19087 7549 1 14 . 1 1 108 108 GLU H H 108 9.605 9.605 8.572 1.033 19087 7550 1 14 . 1 1 109 109 LEU N N 109 116.575 116.575 119.559 -2.984 19087 7551 1 14 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.299 0.231 19087 7552 1 14 . 1 1 109 109 LEU C C 109 177.894 177.894 177.451 0.443 19087 7553 1 14 . 1 1 109 109 LEU CA C 109 53.489 53.489 55.545 -2.057 19087 7554 1 14 . 1 1 109 109 LEU CB C 109 42.241 42.241 41.126 1.115 19087 7555 1 14 . 1 1 109 109 LEU H H 109 7.630 7.630 8.050 -0.420 19087 7556 1 14 . 1 1 110 110 SER N N 110 117.031 117.031 114.619 2.412 19087 7557 1 14 . 1 1 110 110 SER HA H 110 3.943 3.943 4.581 -0.638 19087 7558 1 14 . 1 1 110 110 SER C C 110 174.273 174.273 175.012 -0.739 19087 7559 1 14 . 1 1 110 110 SER CA C 110 59.543 59.543 59.892 -0.349 19087 7560 1 14 . 1 1 110 110 SER CB C 110 63.609 63.609 63.236 0.373 19087 7561 1 14 . 1 1 110 110 SER H H 110 7.757 7.757 7.835 -0.078 19087 7562 1 14 . 1 1 111 111 ASP N N 111 117.804 117.804 120.420 -2.616 19087 7563 1 14 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.697 -0.115 19087 7564 1 14 . 1 1 111 111 ASP C C 111 176.760 176.760 175.220 1.540 19087 7565 1 14 . 1 1 111 111 ASP CA C 111 53.976 53.976 54.038 -0.062 19087 7566 1 14 . 1 1 111 111 ASP CB C 111 40.183 40.183 41.156 -0.973 19087 7567 1 14 . 1 1 111 111 ASP H H 111 8.315 8.315 7.636 0.679 19087 7568 1 14 . 1 1 112 112 GLN N N 112 119.300 119.300 120.059 -0.759 19087 7569 1 14 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.363 -0.063 19087 7570 1 14 . 1 1 112 112 GLN CA C 112 55.014 55.014 54.110 0.904 19087 7571 1 14 . 1 1 112 112 GLN CB C 112 26.568 26.568 27.734 -1.166 19087 7572 1 14 . 1 1 112 112 GLN H H 112 7.212 7.212 7.395 -0.183 19087 7573 1 14 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.379 0.148 19087 7574 1 14 . 1 1 114 114 PRO C C 114 175.464 175.464 176.642 -1.178 19087 7575 1 14 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.501 0.568 19087 7576 1 14 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.216 0.231 19087 7577 1 14 . 1 1 115 115 GLY N N 115 113.817 113.817 108.530 5.287 19087 7578 1 14 . 1 1 115 115 GLY C C 115 173.552 173.552 173.396 0.156 19087 7579 1 14 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.468 -0.515 19087 7580 1 14 . 1 1 115 115 GLY H H 115 8.443 8.443 8.156 0.287 19087 7581 1 14 . 1 1 116 116 VAL N N 116 122.049 122.049 122.811 -0.762 19087 7582 1 14 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.249 -0.118 19087 7583 1 14 . 1 1 116 116 VAL C C 116 174.533 174.533 176.249 -1.716 19087 7584 1 14 . 1 1 116 116 VAL CA C 116 63.916 63.916 64.466 -0.550 19087 7585 1 14 . 1 1 116 116 VAL CB C 116 32.342 32.342 31.594 0.748 19087 7586 1 14 . 1 1 116 116 VAL H H 116 8.957 8.957 8.301 0.656 19087 7587 1 14 . 1 1 117 117 ILE N N 117 126.102 126.102 124.681 1.421 19087 7588 1 14 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.278 -0.339 19087 7589 1 14 . 1 1 117 117 ILE C C 117 174.181 174.181 175.899 -1.718 19087 7590 1 14 . 1 1 117 117 ILE CA C 117 60.069 60.069 59.198 0.871 19087 7591 1 14 . 1 1 117 117 ILE CB C 117 42.368 42.368 38.795 3.573 19087 7592 1 14 . 1 1 117 117 ILE H H 117 7.863 7.863 8.327 -0.464 19087 7593 1 14 . 1 1 118 118 VAL N N 118 127.665 127.665 128.601 -0.936 19087 7594 1 14 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.176 0.748 19087 7595 1 14 . 1 1 118 118 VAL C C 118 175.224 175.224 175.502 -0.278 19087 7596 1 14 . 1 1 118 118 VAL CA C 118 60.580 60.580 62.070 -1.490 19087 7597 1 14 . 1 1 118 118 VAL CB C 118 33.945 33.945 31.253 2.692 19087 7598 1 14 . 1 1 118 118 VAL H H 118 9.348 9.348 8.495 0.853 19087 7599 1 14 . 1 1 119 119 VAL N N 119 121.828 121.828 129.912 -8.084 19087 7600 1 14 . 1 1 119 119 VAL HA H 119 5.563 5.563 5.134 0.429 19087 7601 1 14 . 1 1 119 119 VAL C C 119 174.425 174.425 175.426 -1.001 19087 7602 1 14 . 1 1 119 119 VAL CA C 119 58.691 58.691 61.417 -2.726 19087 7603 1 14 . 1 1 119 119 VAL CB C 119 32.886 32.886 32.692 0.194 19087 7604 1 14 . 1 1 119 119 VAL H H 119 9.096 9.096 8.598 0.498 19087 7605 1 14 . 1 1 120 120 VAL N N 120 120.260 120.260 128.076 -7.816 19087 7606 1 14 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.456 0.362 19087 7607 1 14 . 1 1 120 120 VAL C C 120 175.649 175.649 174.872 0.777 19087 7608 1 14 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.132 0.499 19087 7609 1 14 . 1 1 120 120 VAL CB C 120 34.550 34.550 34.718 -0.168 19087 7610 1 14 . 1 1 120 120 VAL H H 120 8.809 8.809 8.561 0.248 19087 7611 1 14 . 1 1 121 121 THR N N 121 114.564 114.564 120.798 -6.234 19087 7612 1 14 . 1 1 121 121 THR HA H 121 4.428 4.428 4.533 -0.105 19087 7613 1 14 . 1 1 121 121 THR C C 121 173.833 173.833 172.967 0.866 19087 7614 1 14 . 1 1 121 121 THR CA C 121 60.834 60.834 60.146 0.688 19087 7615 1 14 . 1 1 121 121 THR CB C 121 69.413 69.413 70.184 -0.771 19087 7616 1 14 . 1 1 121 121 THR H H 121 7.859 7.859 8.432 -0.574 19087 7617 1 15 . 1 1 6 6 SER C C 6 174.665 174.665 174.257 0.408 19087 7618 1 15 . 1 1 6 6 SER CA C 6 58.745 58.745 58.569 0.176 19087 7619 1 15 . 1 1 6 6 SER CB C 6 63.870 63.870 63.612 0.258 19087 7620 1 15 . 1 1 7 7 GLU N N 7 122.278 122.278 120.128 2.150 19087 7621 1 15 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.403 0.325 19087 7622 1 15 . 1 1 7 7 GLU C C 7 176.279 176.279 175.851 0.428 19087 7623 1 15 . 1 1 7 7 GLU CA C 7 56.894 56.894 56.842 0.052 19087 7624 1 15 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.654 0.555 19087 7625 1 15 . 1 1 7 7 GLU H H 7 8.475 8.475 8.298 0.177 19087 7626 1 15 . 1 1 8 8 ASP N N 8 120.753 120.753 119.694 1.059 19087 7627 1 15 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.681 0.028 19087 7628 1 15 . 1 1 8 8 ASP C C 8 176.070 176.070 175.103 0.967 19087 7629 1 15 . 1 1 8 8 ASP CA C 8 54.366 54.366 53.995 0.371 19087 7630 1 15 . 1 1 8 8 ASP CB C 8 41.459 41.459 40.506 0.953 19087 7631 1 15 . 1 1 8 8 ASP H H 8 8.206 8.206 8.017 0.189 19087 7632 1 15 . 1 1 9 9 ASP N N 9 121.430 121.430 121.589 -0.159 19087 7633 1 15 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.602 0.101 19087 7634 1 15 . 1 1 9 9 ASP CA C 9 54.444 54.444 55.130 -0.686 19087 7635 1 15 . 1 1 9 9 ASP CB C 9 41.220 41.220 41.066 0.154 19087 7636 1 15 . 1 1 9 9 ASP H H 9 8.256 8.256 8.327 -0.071 19087 7637 1 15 . 1 1 11 11 SER C C 11 174.517 174.517 173.203 1.314 19087 7638 1 15 . 1 1 11 11 SER CA C 11 59.364 59.364 58.457 0.907 19087 7639 1 15 . 1 1 11 11 SER CB C 11 63.989 63.989 64.002 -0.013 19087 7640 1 15 . 1 1 12 12 ALA N N 12 125.500 125.500 127.090 -1.590 19087 7641 1 15 . 1 1 12 12 ALA HA H 12 4.356 4.356 5.089 -0.733 19087 7642 1 15 . 1 1 12 12 ALA C C 12 177.811 177.811 175.559 2.252 19087 7643 1 15 . 1 1 12 12 ALA CA C 12 52.815 52.815 51.461 1.354 19087 7644 1 15 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.564 -1.360 19087 7645 1 15 . 1 1 12 12 ALA H H 12 8.087 8.087 8.888 -0.801 19087 7646 1 15 . 1 1 13 13 ILE N N 13 119.045 119.045 122.374 -3.329 19087 7647 1 15 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.864 -0.671 19087 7648 1 15 . 1 1 13 13 ILE CA C 13 61.163 61.163 60.480 0.683 19087 7649 1 15 . 1 1 13 13 ILE CB C 13 38.721 38.721 40.468 -1.747 19087 7650 1 15 . 1 1 13 13 ILE H H 13 7.938 7.938 8.947 -1.009 19087 7651 1 15 . 1 1 14 14 SER N N 14 119.662 119.662 121.543 -1.881 19087 7652 1 15 . 1 1 14 14 SER H H 14 8.339 8.339 8.496 -0.157 19087 7653 1 15 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.532 -0.245 19087 7654 1 15 . 1 1 21 21 ALA C C 21 177.013 177.013 177.185 -0.172 19087 7655 1 15 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.917 -0.332 19087 7656 1 15 . 1 1 21 21 ALA CB C 21 19.339 19.339 19.568 -0.229 19087 7657 1 15 . 1 1 22 22 ALA N N 22 124.579 124.579 125.928 -1.349 19087 7658 1 15 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.630 0.095 19087 7659 1 15 . 1 1 22 22 ALA CA C 22 50.310 50.310 49.860 0.450 19087 7660 1 15 . 1 1 22 22 ALA CB C 22 18.232 18.232 18.582 -0.350 19087 7661 1 15 . 1 1 22 22 ALA H H 22 8.182 8.182 8.417 -0.235 19087 7662 1 15 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.548 -0.413 19087 7663 1 15 . 1 1 28 28 VAL C C 28 175.779 175.779 175.041 0.738 19087 7664 1 15 . 1 1 28 28 VAL CA C 28 62.167 62.167 61.899 0.268 19087 7665 1 15 . 1 1 28 28 VAL CB C 28 32.681 32.681 33.143 -0.462 19087 7666 1 15 . 1 1 29 29 LYS N N 29 126.858 126.858 125.344 1.514 19087 7667 1 15 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.717 -0.005 19087 7668 1 15 . 1 1 29 29 LYS CA C 29 54.135 54.135 53.933 0.202 19087 7669 1 15 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.882 -0.236 19087 7670 1 15 . 1 1 29 29 LYS H H 29 8.346 8.346 8.444 -0.098 19087 7671 1 15 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.421 -0.019 19087 7672 1 15 . 1 1 30 30 PRO C C 30 176.435 176.435 176.370 0.065 19087 7673 1 15 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.949 -0.173 19087 7674 1 15 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.338 -0.184 19087 7675 1 15 . 1 1 31 31 ALA N N 31 124.680 124.680 124.868 -0.188 19087 7676 1 15 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.338 0.009 19087 7677 1 15 . 1 1 31 31 ALA C C 31 176.860 176.860 177.255 -0.395 19087 7678 1 15 . 1 1 31 31 ALA CA C 31 52.316 52.316 52.066 0.250 19087 7679 1 15 . 1 1 31 31 ALA CB C 31 19.398 19.398 19.439 -0.040 19087 7680 1 15 . 1 1 31 31 ALA H H 31 8.324 8.324 8.318 0.006 19087 7681 1 15 . 1 1 32 32 ALA N N 32 125.011 125.011 127.343 -2.332 19087 7682 1 15 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.594 0.142 19087 7683 1 15 . 1 1 32 32 ALA CA C 32 50.487 50.487 49.959 0.528 19087 7684 1 15 . 1 1 32 32 ALA CB C 32 18.203 18.203 18.559 -0.356 19087 7685 1 15 . 1 1 32 32 ALA H H 32 8.246 8.246 8.360 -0.114 19087 7686 1 15 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.925 -0.459 19087 7687 1 15 . 1 1 33 33 PRO C C 33 176.834 176.834 176.200 0.634 19087 7688 1 15 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.274 0.551 19087 7689 1 15 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.656 -0.661 19087 7690 1 15 . 1 1 34 34 ARG N N 34 121.170 121.170 123.471 -2.301 19087 7691 1 15 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.041 0.345 19087 7692 1 15 . 1 1 34 34 ARG C C 34 175.853 175.853 175.614 0.239 19087 7693 1 15 . 1 1 34 34 ARG CA C 34 55.912 55.912 56.558 -0.646 19087 7694 1 15 . 1 1 34 34 ARG CB C 34 31.672 31.672 30.260 1.412 19087 7695 1 15 . 1 1 34 34 ARG H H 34 8.349 8.349 8.292 0.057 19087 7696 1 15 . 1 1 35 35 ALA N N 35 124.878 124.878 116.994 7.884 19087 7697 1 15 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.450 0.162 19087 7698 1 15 . 1 1 35 35 ALA C C 35 176.170 176.170 175.626 0.544 19087 7699 1 15 . 1 1 35 35 ALA CA C 35 51.566 51.566 51.275 0.291 19087 7700 1 15 . 1 1 35 35 ALA CB C 35 20.722 20.722 21.211 -0.489 19087 7701 1 15 . 1 1 35 35 ALA H H 35 8.008 8.008 7.597 0.411 19087 7702 1 15 . 1 1 36 36 GLU N N 36 119.776 119.776 119.517 0.259 19087 7703 1 15 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.629 -0.198 19087 7704 1 15 . 1 1 36 36 GLU C C 36 174.618 174.618 175.310 -0.692 19087 7705 1 15 . 1 1 36 36 GLU CA C 36 56.472 56.472 56.030 0.442 19087 7706 1 15 . 1 1 36 36 GLU CB C 36 31.124 31.124 31.070 0.054 19087 7707 1 15 . 1 1 36 36 GLU H H 36 8.495 8.495 8.630 -0.135 19087 7708 1 15 . 1 1 37 37 VAL N N 37 119.808 119.808 120.893 -1.085 19087 7709 1 15 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.377 0.525 19087 7710 1 15 . 1 1 37 37 VAL C C 37 174.285 174.285 174.016 0.269 19087 7711 1 15 . 1 1 37 37 VAL CA C 37 60.639 60.639 61.305 -0.666 19087 7712 1 15 . 1 1 37 37 VAL CB C 37 34.612 34.612 34.452 0.160 19087 7713 1 15 . 1 1 37 37 VAL H H 37 8.494 8.494 8.464 0.030 19087 7714 1 15 . 1 1 38 38 ARG N N 38 124.534 124.534 126.868 -2.334 19087 7715 1 15 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.342 -0.416 19087 7716 1 15 . 1 1 38 38 ARG C C 38 174.239 174.239 174.695 -0.456 19087 7717 1 15 . 1 1 38 38 ARG CA C 38 55.092 55.092 54.096 0.996 19087 7718 1 15 . 1 1 38 38 ARG CB C 38 34.190 34.190 32.748 1.442 19087 7719 1 15 . 1 1 38 38 ARG H H 38 8.652 8.652 9.072 -0.420 19087 7720 1 15 . 1 1 39 39 VAL N N 39 121.231 121.231 126.114 -4.883 19087 7721 1 15 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.604 0.194 19087 7722 1 15 . 1 1 39 39 VAL C C 39 173.357 173.357 174.587 -1.230 19087 7723 1 15 . 1 1 39 39 VAL CA C 39 60.638 60.638 60.699 -0.061 19087 7724 1 15 . 1 1 39 39 VAL CB C 39 34.294 34.294 31.591 2.703 19087 7725 1 15 . 1 1 39 39 VAL H H 39 7.934 7.934 8.693 -0.759 19087 7726 1 15 . 1 1 40 40 TYR N N 40 122.262 122.262 128.349 -6.087 19087 7727 1 15 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.220 -0.066 19087 7728 1 15 . 1 1 40 40 TYR C C 40 175.124 175.124 175.343 -0.219 19087 7729 1 15 . 1 1 40 40 TYR CA C 40 55.540 55.540 56.446 -0.906 19087 7730 1 15 . 1 1 40 40 TYR CB C 40 42.223 42.223 38.781 3.442 19087 7731 1 15 . 1 1 40 40 TYR H H 40 9.343 9.343 8.686 0.657 19087 7732 1 15 . 1 1 41 41 ASN N N 41 121.684 121.684 123.468 -1.784 19087 7733 1 15 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.244 -0.212 19087 7734 1 15 . 1 1 41 41 ASN C C 41 176.301 176.301 175.919 0.382 19087 7735 1 15 . 1 1 41 41 ASN CA C 41 52.635 52.635 52.870 -0.235 19087 7736 1 15 . 1 1 41 41 ASN CB C 41 39.836 39.836 38.694 1.142 19087 7737 1 15 . 1 1 41 41 ASN H H 41 9.287 9.287 8.702 0.585 19087 7738 1 15 . 1 1 42 42 ILE N N 42 119.462 119.462 125.682 -6.220 19087 7739 1 15 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.331 1.119 19087 7740 1 15 . 1 1 42 42 ILE C C 42 176.450 176.450 175.406 1.044 19087 7741 1 15 . 1 1 42 42 ILE CA C 42 60.513 60.513 63.262 -2.749 19087 7742 1 15 . 1 1 42 42 ILE CB C 42 38.597 38.597 39.072 -0.475 19087 7743 1 15 . 1 1 42 42 ILE H H 42 8.541 8.541 8.223 0.318 19087 7744 1 15 . 1 1 43 43 SER N N 43 118.212 118.212 112.369 5.843 19087 7745 1 15 . 1 1 43 43 SER HA H 43 4.729 4.729 4.621 0.108 19087 7746 1 15 . 1 1 43 43 SER CA C 43 58.598 58.598 56.207 2.391 19087 7747 1 15 . 1 1 43 43 SER CB C 43 66.262 66.262 64.986 1.276 19087 7748 1 15 . 1 1 43 43 SER H H 43 8.142 8.142 7.282 0.860 19087 7749 1 15 . 1 1 44 44 GLY C C 44 174.414 174.414 174.443 -0.029 19087 7750 1 15 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.879 -0.500 19087 7751 1 15 . 1 1 45 45 THR N N 45 116.371 116.371 112.575 3.796 19087 7752 1 15 . 1 1 45 45 THR HA H 45 4.384 4.384 3.974 0.410 19087 7753 1 15 . 1 1 45 45 THR CA C 45 61.814 61.814 62.418 -0.604 19087 7754 1 15 . 1 1 45 45 THR CB C 45 69.787 69.787 68.931 0.856 19087 7755 1 15 . 1 1 45 45 THR H H 45 8.298 8.298 7.854 0.444 19087 7756 1 15 . 1 1 47 47 GLY C C 47 175.691 175.691 175.631 0.060 19087 7757 1 15 . 1 1 47 47 GLY CA C 47 46.191 46.191 46.689 -0.498 19087 7758 1 15 . 1 1 48 48 ALA N N 48 121.957 121.957 124.333 -2.376 19087 7759 1 15 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.122 -0.093 19087 7760 1 15 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.237 1.165 19087 7761 1 15 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.289 0.203 19087 7762 1 15 . 1 1 48 48 ALA H H 48 7.511 7.511 8.277 -0.766 19087 7763 1 15 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.892 0.092 19087 7764 1 15 . 1 1 49 49 ALA C C 49 178.073 178.073 178.948 -0.875 19087 7765 1 15 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.965 -0.104 19087 7766 1 15 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.467 0.222 19087 7767 1 15 . 1 1 50 50 ALA N N 50 122.654 122.654 119.906 2.748 19087 7768 1 15 . 1 1 50 50 ALA HA H 50 3.989 3.989 4.061 -0.072 19087 7769 1 15 . 1 1 50 50 ALA C C 50 179.642 179.642 179.047 0.595 19087 7770 1 15 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.148 1.703 19087 7771 1 15 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.471 -0.683 19087 7772 1 15 . 1 1 50 50 ALA H H 50 7.965 7.965 7.594 0.371 19087 7773 1 15 . 1 1 51 51 ARG N N 51 116.659 116.659 119.089 -2.430 19087 7774 1 15 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.177 0.014 19087 7775 1 15 . 1 1 51 51 ARG C C 51 179.931 179.931 178.298 1.633 19087 7776 1 15 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.300 1.212 19087 7777 1 15 . 1 1 51 51 ARG CB C 51 30.463 30.463 30.005 0.458 19087 7778 1 15 . 1 1 51 51 ARG H H 51 7.982 7.982 8.005 -0.023 19087 7779 1 15 . 1 1 52 52 THR N N 52 117.745 117.745 113.872 3.873 19087 7780 1 15 . 1 1 52 52 THR HA H 52 4.162 4.162 4.003 0.159 19087 7781 1 15 . 1 1 52 52 THR C C 52 175.626 175.626 175.984 -0.358 19087 7782 1 15 . 1 1 52 52 THR CA C 52 68.565 68.565 65.992 2.573 19087 7783 1 15 . 1 1 52 52 THR CB C 52 70.787 70.787 68.068 2.719 19087 7784 1 15 . 1 1 52 52 THR H H 52 7.661 7.661 7.971 -0.310 19087 7785 1 15 . 1 1 53 53 ALA N N 53 123.939 123.939 123.937 0.002 19087 7786 1 15 . 1 1 53 53 ALA HA H 53 3.886 3.886 4.005 -0.118 19087 7787 1 15 . 1 1 53 53 ALA C C 53 179.013 179.013 179.225 -0.212 19087 7788 1 15 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.749 1.448 19087 7789 1 15 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.183 0.533 19087 7790 1 15 . 1 1 53 53 ALA H H 53 8.805 8.805 7.629 1.176 19087 7791 1 15 . 1 1 54 54 ASP N N 54 118.351 118.351 117.894 0.457 19087 7792 1 15 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.322 0.110 19087 7793 1 15 . 1 1 54 54 ASP C C 54 179.376 179.376 177.304 2.072 19087 7794 1 15 . 1 1 54 54 ASP CA C 54 58.007 58.007 56.928 1.079 19087 7795 1 15 . 1 1 54 54 ASP CB C 54 40.242 40.242 41.228 -0.986 19087 7796 1 15 . 1 1 54 54 ASP H H 54 8.327 8.327 7.708 0.619 19087 7797 1 15 . 1 1 55 55 ARG N N 55 121.120 121.120 117.554 3.566 19087 7798 1 15 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.211 -0.036 19087 7799 1 15 . 1 1 55 55 ARG C C 55 179.550 179.550 178.882 0.668 19087 7800 1 15 . 1 1 55 55 ARG CA C 55 59.285 59.285 57.517 1.768 19087 7801 1 15 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.095 0.225 19087 7802 1 15 . 1 1 55 55 ARG H H 55 7.723 7.723 7.696 0.027 19087 7803 1 15 . 1 1 56 56 LEU N N 56 118.659 118.659 121.039 -2.380 19087 7804 1 15 . 1 1 56 56 LEU HA H 56 4.332 4.332 3.803 0.529 19087 7805 1 15 . 1 1 56 56 LEU C C 56 179.305 179.305 177.966 1.339 19087 7806 1 15 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.756 -0.319 19087 7807 1 15 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.506 -0.219 19087 7808 1 15 . 1 1 56 56 LEU H H 56 8.215 8.215 7.601 0.614 19087 7809 1 15 . 1 1 57 57 LYS N N 57 122.713 122.713 118.280 4.433 19087 7810 1 15 . 1 1 57 57 LYS HA H 57 4.513 4.513 4.221 0.292 19087 7811 1 15 . 1 1 57 57 LYS C C 57 181.436 181.436 178.902 2.534 19087 7812 1 15 . 1 1 57 57 LYS CA C 57 60.004 60.004 58.564 1.440 19087 7813 1 15 . 1 1 57 57 LYS CB C 57 32.437 32.437 30.775 1.662 19087 7814 1 15 . 1 1 57 57 LYS H H 57 8.914 8.914 7.796 1.118 19087 7815 1 15 . 1 1 58 58 ALA N N 58 122.423 122.423 123.220 -0.797 19087 7816 1 15 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.211 -0.001 19087 7817 1 15 . 1 1 58 58 ALA C C 58 178.516 178.516 178.928 -0.412 19087 7818 1 15 . 1 1 58 58 ALA CA C 58 55.069 55.069 54.419 0.650 19087 7819 1 15 . 1 1 58 58 ALA CB C 58 17.909 17.909 17.885 0.024 19087 7820 1 15 . 1 1 58 58 ALA H H 58 8.026 8.026 7.753 0.273 19087 7821 1 15 . 1 1 59 59 ALA N N 59 118.347 118.347 119.146 -0.799 19087 7822 1 15 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.427 0.059 19087 7823 1 15 . 1 1 59 59 ALA C C 59 176.797 176.797 177.541 -0.744 19087 7824 1 15 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.125 -0.367 19087 7825 1 15 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.724 -0.355 19087 7826 1 15 . 1 1 59 59 ALA H H 59 7.413 7.413 7.911 -0.498 19087 7827 1 15 . 1 1 60 60 GLY N N 60 104.918 104.918 106.244 -1.326 19087 7828 1 15 . 1 1 60 60 GLY C C 60 174.741 174.741 173.284 1.457 19087 7829 1 15 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.623 0.613 19087 7830 1 15 . 1 1 60 60 GLY H H 60 7.694 7.694 7.816 -0.122 19087 7831 1 15 . 1 1 61 61 PHE N N 61 118.862 118.862 118.589 0.273 19087 7832 1 15 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.937 -0.442 19087 7833 1 15 . 1 1 61 61 PHE C C 61 175.204 175.204 176.181 -0.977 19087 7834 1 15 . 1 1 61 61 PHE CA C 61 58.483 58.483 56.623 1.861 19087 7835 1 15 . 1 1 61 61 PHE CB C 61 39.163 39.163 40.104 -0.941 19087 7836 1 15 . 1 1 61 61 PHE H H 61 7.879 7.879 7.766 0.113 19087 7837 1 15 . 1 1 62 62 THR N N 62 121.319 121.319 116.651 4.668 19087 7838 1 15 . 1 1 62 62 THR HA H 62 4.303 4.303 4.196 0.107 19087 7839 1 15 . 1 1 62 62 THR C C 62 173.073 173.073 175.007 -1.934 19087 7840 1 15 . 1 1 62 62 THR CA C 62 69.389 69.389 65.067 4.322 19087 7841 1 15 . 1 1 62 62 THR CB C 62 62.478 62.478 69.335 -6.857 19087 7842 1 15 . 1 1 62 62 THR H H 62 9.493 9.493 8.331 1.162 19087 7843 1 15 . 1 1 63 63 VAL N N 63 128.406 128.406 121.551 6.855 19087 7844 1 15 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.275 0.385 19087 7845 1 15 . 1 1 63 63 VAL C C 63 177.267 177.267 174.580 2.687 19087 7846 1 15 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.345 -1.246 19087 7847 1 15 . 1 1 63 63 VAL CB C 63 32.572 32.572 32.901 -0.329 19087 7848 1 15 . 1 1 63 63 VAL H H 63 8.293 8.293 7.904 0.389 19087 7849 1 15 . 1 1 64 64 THR N N 64 118.495 118.495 118.845 -0.350 19087 7850 1 15 . 1 1 64 64 THR HA H 64 4.350 4.350 5.148 -0.798 19087 7851 1 15 . 1 1 64 64 THR CA C 64 62.182 62.182 60.554 1.628 19087 7852 1 15 . 1 1 64 64 THR CB C 64 69.143 69.143 68.885 0.258 19087 7853 1 15 . 1 1 64 64 THR H H 64 8.770 8.770 8.571 0.199 19087 7854 1 15 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.876 -0.575 19087 7855 1 15 . 1 1 65 65 ASP C C 65 173.778 173.778 174.397 -0.619 19087 7856 1 15 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.313 0.973 19087 7857 1 15 . 1 1 65 65 ASP CB C 65 44.018 44.018 43.238 0.780 19087 7858 1 15 . 1 1 66 66 VAL N N 66 121.705 121.705 123.950 -2.245 19087 7859 1 15 . 1 1 66 66 VAL HA H 66 4.863 4.863 4.870 -0.007 19087 7860 1 15 . 1 1 66 66 VAL C C 66 176.234 176.234 175.675 0.559 19087 7861 1 15 . 1 1 66 66 VAL CA C 66 60.597 60.597 60.687 -0.090 19087 7862 1 15 . 1 1 66 66 VAL CB C 66 34.120 34.120 34.405 -0.285 19087 7863 1 15 . 1 1 66 66 VAL H H 66 7.849 7.849 8.385 -0.536 19087 7864 1 15 . 1 1 67 67 GLY N N 67 112.050 112.050 113.385 -1.335 19087 7865 1 15 . 1 1 67 67 GLY CA C 67 45.618 45.618 44.645 0.973 19087 7866 1 15 . 1 1 67 67 GLY H H 67 8.151 8.151 8.550 -0.399 19087 7867 1 15 . 1 1 68 68 ASN C C 68 173.771 173.771 174.276 -0.505 19087 7868 1 15 . 1 1 68 68 ASN CA C 68 53.062 53.062 51.299 1.763 19087 7869 1 15 . 1 1 68 68 ASN CB C 68 39.832 39.832 39.986 -0.153 19087 7870 1 15 . 1 1 69 69 LEU N N 69 121.003 121.003 124.337 -3.334 19087 7871 1 15 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.679 -0.142 19087 7872 1 15 . 1 1 69 69 LEU C C 69 174.751 174.751 174.888 -0.137 19087 7873 1 15 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.679 -0.754 19087 7874 1 15 . 1 1 69 69 LEU CB C 69 47.313 47.313 46.047 1.266 19087 7875 1 15 . 1 1 69 69 LEU H H 69 8.276 8.276 8.415 -0.139 19087 7876 1 15 . 1 1 70 70 SER N N 70 116.269 116.269 122.250 -5.981 19087 7877 1 15 . 1 1 70 70 SER C C 70 173.777 173.777 173.507 0.270 19087 7878 1 15 . 1 1 70 70 SER CA C 70 56.923 56.923 59.231 -2.308 19087 7879 1 15 . 1 1 70 70 SER CB C 70 63.219 63.219 62.493 0.726 19087 7880 1 15 . 1 1 70 70 SER H H 70 8.122 8.122 8.618 -0.496 19087 7881 1 15 . 1 1 71 71 LEU N N 71 127.999 127.999 128.055 -0.056 19087 7882 1 15 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.841 -0.085 19087 7883 1 15 . 1 1 71 71 LEU CA C 71 52.165 52.165 51.599 0.566 19087 7884 1 15 . 1 1 71 71 LEU CB C 71 44.179 44.179 42.709 1.470 19087 7885 1 15 . 1 1 71 71 LEU H H 71 8.293 8.293 7.799 0.494 19087 7886 1 15 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.299 0.061 19087 7887 1 15 . 1 1 72 72 PRO C C 72 176.922 176.922 176.794 0.128 19087 7888 1 15 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.564 -0.320 19087 7889 1 15 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.780 0.686 19087 7890 1 15 . 1 1 73 73 ASP N N 73 115.106 115.106 115.435 -0.329 19087 7891 1 15 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.482 0.076 19087 7892 1 15 . 1 1 73 73 ASP C C 73 175.809 175.809 175.443 0.366 19087 7893 1 15 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.445 0.700 19087 7894 1 15 . 1 1 73 73 ASP CB C 73 40.778 40.778 40.424 0.354 19087 7895 1 15 . 1 1 73 73 ASP H H 73 8.431 8.431 8.512 -0.081 19087 7896 1 15 . 1 1 74 74 VAL N N 74 122.218 122.218 120.460 1.758 19087 7897 1 15 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.176 -0.210 19087 7898 1 15 . 1 1 74 74 VAL C C 74 175.339 175.339 174.445 0.894 19087 7899 1 15 . 1 1 74 74 VAL CA C 74 63.871 63.871 62.065 1.806 19087 7900 1 15 . 1 1 74 74 VAL CB C 74 32.075 32.075 32.239 -0.164 19087 7901 1 15 . 1 1 74 74 VAL H H 74 7.468 7.468 7.400 0.068 19087 7902 1 15 . 1 1 75 75 ALA N N 75 128.630 128.630 130.016 -1.386 19087 7903 1 15 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.567 -0.142 19087 7904 1 15 . 1 1 75 75 ALA C C 75 176.404 176.404 175.912 0.492 19087 7905 1 15 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.047 0.380 19087 7906 1 15 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.771 0.700 19087 7907 1 15 . 1 1 75 75 ALA H H 75 8.581 8.581 8.489 0.092 19087 7908 1 15 . 1 1 76 76 ALA N N 76 120.481 120.481 120.908 -0.427 19087 7909 1 15 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.480 0.177 19087 7910 1 15 . 1 1 76 76 ALA C C 76 175.925 175.925 175.568 0.357 19087 7911 1 15 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.582 -0.587 19087 7912 1 15 . 1 1 76 76 ALA CB C 76 22.365 22.365 21.142 1.223 19087 7913 1 15 . 1 1 76 76 ALA H H 76 7.438 7.438 7.478 -0.040 19087 7914 1 15 . 1 1 77 77 THR N N 77 121.464 121.464 117.035 4.429 19087 7915 1 15 . 1 1 77 77 THR HA H 77 4.734 4.734 4.450 0.284 19087 7916 1 15 . 1 1 77 77 THR C C 77 174.143 174.143 174.141 0.002 19087 7917 1 15 . 1 1 77 77 THR CA C 77 63.914 63.914 62.367 1.547 19087 7918 1 15 . 1 1 77 77 THR CB C 77 70.070 70.070 68.897 1.173 19087 7919 1 15 . 1 1 77 77 THR H H 77 8.390 8.390 8.343 0.047 19087 7920 1 15 . 1 1 78 78 THR N N 78 123.538 123.538 123.770 -0.232 19087 7921 1 15 . 1 1 78 78 THR HA H 78 4.644 4.644 4.562 0.082 19087 7922 1 15 . 1 1 78 78 THR C C 78 181.684 181.684 172.175 9.509 19087 7923 1 15 . 1 1 78 78 THR CA C 78 62.511 62.511 61.494 1.017 19087 7924 1 15 . 1 1 78 78 THR CB C 78 72.846 72.846 72.622 0.224 19087 7925 1 15 . 1 1 78 78 THR H H 78 8.355 8.355 8.514 -0.159 19087 7926 1 15 . 1 1 79 79 VAL N N 79 126.455 126.455 124.468 1.987 19087 7927 1 15 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.188 0.408 19087 7928 1 15 . 1 1 79 79 VAL C C 79 173.702 173.702 174.460 -0.758 19087 7929 1 15 . 1 1 79 79 VAL CA C 79 60.385 60.385 61.340 -0.955 19087 7930 1 15 . 1 1 79 79 VAL CB C 79 33.089 33.089 32.688 0.401 19087 7931 1 15 . 1 1 79 79 VAL H H 79 8.685 8.685 8.479 0.206 19087 7932 1 15 . 1 1 80 80 TYR N N 80 123.574 123.574 126.887 -3.313 19087 7933 1 15 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.322 1.078 19087 7934 1 15 . 1 1 80 80 TYR C C 80 176.410 176.410 176.273 0.137 19087 7935 1 15 . 1 1 80 80 TYR CA C 80 56.608 56.608 56.053 0.555 19087 7936 1 15 . 1 1 80 80 TYR CB C 80 42.567 42.567 40.320 2.247 19087 7937 1 15 . 1 1 80 80 TYR H H 80 9.702 9.702 8.691 1.011 19087 7938 1 15 . 1 1 81 81 TYR N N 81 117.754 117.754 115.371 2.383 19087 7939 1 15 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.318 0.156 19087 7940 1 15 . 1 1 81 81 TYR C C 81 173.237 173.237 174.055 -0.818 19087 7941 1 15 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.898 -0.400 19087 7942 1 15 . 1 1 81 81 TYR CB C 81 42.249 42.249 41.196 1.053 19087 7943 1 15 . 1 1 81 81 TYR H H 81 8.221 8.221 8.550 -0.329 19087 7944 1 15 . 1 1 82 82 THR N N 82 111.056 111.056 116.630 -5.574 19087 7945 1 15 . 1 1 82 82 THR HA H 82 4.724 4.724 4.590 0.134 19087 7946 1 15 . 1 1 82 82 THR C C 82 174.521 174.521 175.170 -0.649 19087 7947 1 15 . 1 1 82 82 THR CA C 82 60.896 60.896 60.792 0.104 19087 7948 1 15 . 1 1 82 82 THR CB C 82 71.506 71.506 70.778 0.728 19087 7949 1 15 . 1 1 82 82 THR H H 82 8.245 8.245 7.715 0.530 19087 7950 1 15 . 1 1 83 83 GLU N N 83 117.058 117.058 123.784 -6.726 19087 7951 1 15 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.298 0.179 19087 7952 1 15 . 1 1 83 83 GLU C C 83 176.152 176.152 176.205 -0.053 19087 7953 1 15 . 1 1 83 83 GLU CA C 83 57.179 57.179 57.383 -0.204 19087 7954 1 15 . 1 1 83 83 GLU CB C 83 28.714 28.714 29.719 -1.005 19087 7955 1 15 . 1 1 83 83 GLU H H 83 8.772 8.772 8.779 -0.007 19087 7956 1 15 . 1 1 84 84 VAL N N 84 123.039 123.039 120.893 2.146 19087 7957 1 15 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.845 0.049 19087 7958 1 15 . 1 1 84 84 VAL C C 84 177.170 177.170 176.741 0.429 19087 7959 1 15 . 1 1 84 84 VAL CA C 84 63.678 63.678 63.952 -0.273 19087 7960 1 15 . 1 1 84 84 VAL CB C 84 32.474 32.474 30.356 2.118 19087 7961 1 15 . 1 1 84 84 VAL H H 84 7.818 7.818 7.754 0.064 19087 7962 1 15 . 1 1 85 85 GLU N N 85 129.351 129.351 127.930 1.421 19087 7963 1 15 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.969 -0.077 19087 7964 1 15 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.222 0.783 19087 7965 1 15 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.977 0.546 19087 7966 1 15 . 1 1 85 85 GLU H H 85 8.796 8.796 9.136 -0.340 19087 7967 1 15 . 1 1 86 86 GLY C C 86 176.321 176.321 175.167 1.154 19087 7968 1 15 . 1 1 86 86 GLY CA C 86 45.876 45.876 44.972 0.904 19087 7969 1 15 . 1 1 87 87 GLU N N 87 121.773 121.773 121.933 -0.160 19087 7970 1 15 . 1 1 87 87 GLU HA H 87 3.948 3.948 4.087 -0.139 19087 7971 1 15 . 1 1 87 87 GLU C C 87 178.276 178.276 177.791 0.485 19087 7972 1 15 . 1 1 87 87 GLU CA C 87 61.762 61.762 58.726 3.036 19087 7973 1 15 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.716 0.380 19087 7974 1 15 . 1 1 87 87 GLU H H 87 8.133 8.133 8.037 0.096 19087 7975 1 15 . 1 1 88 88 ARG N N 88 121.466 121.466 119.761 1.705 19087 7976 1 15 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.432 -0.070 19087 7977 1 15 . 1 1 88 88 ARG C C 88 177.229 177.229 177.670 -0.441 19087 7978 1 15 . 1 1 88 88 ARG CA C 88 59.493 59.493 59.111 0.382 19087 7979 1 15 . 1 1 88 88 ARG CB C 88 29.059 29.059 29.318 -0.259 19087 7980 1 15 . 1 1 88 88 ARG H H 88 9.132 9.132 8.498 0.634 19087 7981 1 15 . 1 1 89 89 ALA N N 89 119.527 119.527 119.280 0.247 19087 7982 1 15 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.031 0.152 19087 7983 1 15 . 1 1 89 89 ALA C C 89 181.949 181.949 179.178 2.771 19087 7984 1 15 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.946 0.337 19087 7985 1 15 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.088 0.040 19087 7986 1 15 . 1 1 89 89 ALA H H 89 8.388 8.388 7.646 0.742 19087 7987 1 15 . 1 1 90 90 THR N N 90 115.279 115.279 110.834 4.445 19087 7988 1 15 . 1 1 90 90 THR HA H 90 4.146 4.146 4.301 -0.155 19087 7989 1 15 . 1 1 90 90 THR C C 90 175.118 175.118 176.509 -1.391 19087 7990 1 15 . 1 1 90 90 THR CA C 90 66.607 66.607 64.537 2.070 19087 7991 1 15 . 1 1 90 90 THR CB C 90 68.971 68.971 69.508 -0.537 19087 7992 1 15 . 1 1 90 90 THR H H 90 7.640 7.640 7.534 0.106 19087 7993 1 15 . 1 1 91 91 ALA N N 91 124.784 124.784 124.624 0.160 19087 7994 1 15 . 1 1 91 91 ALA HA H 91 3.769 3.769 3.979 -0.210 19087 7995 1 15 . 1 1 91 91 ALA C C 91 178.546 178.546 179.045 -0.499 19087 7996 1 15 . 1 1 91 91 ALA CA C 91 55.552 55.552 55.375 0.177 19087 7997 1 15 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.468 0.785 19087 7998 1 15 . 1 1 91 91 ALA H H 91 9.095 9.095 7.963 1.132 19087 7999 1 15 . 1 1 92 92 ASP N N 92 118.310 118.310 117.832 0.478 19087 8000 1 15 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.338 0.079 19087 8001 1 15 . 1 1 92 92 ASP C C 92 179.053 179.053 178.052 1.001 19087 8002 1 15 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.092 0.550 19087 8003 1 15 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.836 -0.407 19087 8004 1 15 . 1 1 92 92 ASP H H 92 8.898 8.898 8.417 0.481 19087 8005 1 15 . 1 1 93 93 ALA N N 93 122.980 122.980 122.398 0.582 19087 8006 1 15 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.222 0.052 19087 8007 1 15 . 1 1 93 93 ALA C C 93 180.933 180.933 179.449 1.484 19087 8008 1 15 . 1 1 93 93 ALA CA C 93 55.575 55.575 54.687 0.888 19087 8009 1 15 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.738 -0.562 19087 8010 1 15 . 1 1 93 93 ALA H H 93 7.424 7.424 7.153 0.271 19087 8011 1 15 . 1 1 94 94 VAL N N 94 123.968 123.968 119.127 4.841 19087 8012 1 15 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.565 -0.621 19087 8013 1 15 . 1 1 94 94 VAL C C 94 178.269 178.269 178.347 -0.078 19087 8014 1 15 . 1 1 94 94 VAL CA C 94 66.399 66.399 67.100 -0.701 19087 8015 1 15 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.496 -0.793 19087 8016 1 15 . 1 1 94 94 VAL H H 94 8.808 8.808 8.247 0.561 19087 8017 1 15 . 1 1 95 95 GLY N N 95 108.282 108.282 105.714 2.568 19087 8018 1 15 . 1 1 95 95 GLY C C 95 176.440 176.440 175.475 0.965 19087 8019 1 15 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.169 0.750 19087 8020 1 15 . 1 1 95 95 GLY H H 95 9.355 9.355 8.450 0.905 19087 8021 1 15 . 1 1 96 96 ARG N N 96 120.852 120.852 120.670 0.182 19087 8022 1 15 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.153 0.050 19087 8023 1 15 . 1 1 96 96 ARG C C 96 179.101 179.101 178.241 0.860 19087 8024 1 15 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.867 0.343 19087 8025 1 15 . 1 1 96 96 ARG CB C 96 30.534 30.534 29.843 0.691 19087 8026 1 15 . 1 1 96 96 ARG H H 96 8.112 8.112 7.578 0.534 19087 8027 1 15 . 1 1 97 97 THR N N 97 117.170 117.170 115.598 1.572 19087 8028 1 15 . 1 1 97 97 THR HA H 97 3.986 3.986 4.093 -0.107 19087 8029 1 15 . 1 1 97 97 THR C C 97 175.451 175.451 176.060 -0.609 19087 8030 1 15 . 1 1 97 97 THR CA C 97 66.867 66.867 65.290 1.577 19087 8031 1 15 . 1 1 97 97 THR CB C 97 68.205 68.205 68.777 -0.572 19087 8032 1 15 . 1 1 97 97 THR H H 97 7.854 7.854 7.660 0.194 19087 8033 1 15 . 1 1 98 98 LEU N N 98 115.294 115.294 121.756 -6.462 19087 8034 1 15 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.335 -0.030 19087 8035 1 15 . 1 1 98 98 LEU C C 98 177.537 177.537 177.518 0.019 19087 8036 1 15 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.727 -1.144 19087 8037 1 15 . 1 1 98 98 LEU CB C 98 43.373 43.373 43.047 0.326 19087 8038 1 15 . 1 1 98 98 LEU H H 98 7.855 7.855 7.824 0.031 19087 8039 1 15 . 1 1 99 99 GLY N N 99 111.931 111.931 104.966 6.965 19087 8040 1 15 . 1 1 99 99 GLY C C 99 173.997 173.997 173.797 0.200 19087 8041 1 15 . 1 1 99 99 GLY CA C 99 46.993 46.993 44.810 2.183 19087 8042 1 15 . 1 1 99 99 GLY H H 99 8.101 8.101 7.798 0.303 19087 8043 1 15 . 1 1 100 100 ALA N N 100 121.739 121.739 121.185 0.554 19087 8044 1 15 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.592 0.145 19087 8045 1 15 . 1 1 100 100 ALA C C 100 175.351 175.351 175.208 0.143 19087 8046 1 15 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.591 -0.185 19087 8047 1 15 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.816 2.143 19087 8048 1 15 . 1 1 100 100 ALA H H 100 8.033 8.033 7.787 0.246 19087 8049 1 15 . 1 1 101 101 ALA N N 101 122.895 122.895 123.301 -0.406 19087 8050 1 15 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.609 -0.400 19087 8051 1 15 . 1 1 101 101 ALA C C 101 175.179 175.179 176.225 -1.046 19087 8052 1 15 . 1 1 101 101 ALA CA C 101 52.737 52.737 51.667 1.070 19087 8053 1 15 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.676 0.138 19087 8054 1 15 . 1 1 101 101 ALA H H 101 7.782 7.782 8.686 -0.904 19087 8055 1 15 . 1 1 102 102 VAL N N 102 120.035 120.035 117.758 2.277 19087 8056 1 15 . 1 1 102 102 VAL HA H 102 5.054 5.054 5.350 -0.296 19087 8057 1 15 . 1 1 102 102 VAL C C 102 176.587 176.587 175.557 1.030 19087 8058 1 15 . 1 1 102 102 VAL CA C 102 60.988 60.988 60.422 0.566 19087 8059 1 15 . 1 1 102 102 VAL CB C 102 33.725 33.725 32.704 1.021 19087 8060 1 15 . 1 1 102 102 VAL H H 102 7.872 7.872 8.381 -0.509 19087 8061 1 15 . 1 1 103 103 GLU N N 103 126.469 126.469 125.016 1.453 19087 8062 1 15 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.698 0.181 19087 8063 1 15 . 1 1 103 103 GLU C C 103 174.343 174.343 174.920 -0.577 19087 8064 1 15 . 1 1 103 103 GLU CA C 103 54.351 54.351 53.793 0.558 19087 8065 1 15 . 1 1 103 103 GLU CB C 103 35.595 35.595 33.866 1.729 19087 8066 1 15 . 1 1 103 103 GLU H H 103 9.215 9.215 8.901 0.314 19087 8067 1 15 . 1 1 104 104 LEU N N 104 123.109 123.109 120.036 3.073 19087 8068 1 15 . 1 1 104 104 LEU HA H 104 3.591 3.591 3.632 -0.041 19087 8069 1 15 . 1 1 104 104 LEU C C 104 178.379 178.379 178.879 -0.500 19087 8070 1 15 . 1 1 104 104 LEU CA C 104 54.920 54.920 54.741 0.179 19087 8071 1 15 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.078 0.832 19087 8072 1 15 . 1 1 104 104 LEU H H 104 8.273 8.273 8.381 -0.108 19087 8073 1 15 . 1 1 105 105 ARG N N 105 119.790 119.790 118.930 0.860 19087 8074 1 15 . 1 1 105 105 ARG HA H 105 4.261 4.261 3.952 0.309 19087 8075 1 15 . 1 1 105 105 ARG C C 105 177.043 177.043 176.297 0.746 19087 8076 1 15 . 1 1 105 105 ARG CA C 105 59.310 59.310 58.003 1.307 19087 8077 1 15 . 1 1 105 105 ARG CB C 105 32.077 32.077 30.493 1.584 19087 8078 1 15 . 1 1 105 105 ARG H H 105 8.300 8.300 8.442 -0.142 19087 8079 1 15 . 1 1 106 106 LEU N N 106 122.431 122.431 115.358 7.073 19087 8080 1 15 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.026 0.372 19087 8081 1 15 . 1 1 106 106 LEU CA C 106 54.701 54.701 54.387 0.314 19087 8082 1 15 . 1 1 106 106 LEU CB C 106 42.469 42.469 40.721 1.748 19087 8083 1 15 . 1 1 106 106 LEU H H 106 8.026 8.026 7.758 0.268 19087 8084 1 15 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.118 0.121 19087 8085 1 15 . 1 1 107 107 PRO C C 107 179.627 179.627 177.962 1.665 19087 8086 1 15 . 1 1 107 107 PRO CA C 107 65.898 65.898 65.451 0.447 19087 8087 1 15 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.750 -0.231 19087 8088 1 15 . 1 1 108 108 GLU N N 108 116.744 116.744 116.756 -0.012 19087 8089 1 15 . 1 1 108 108 GLU HA H 108 4.098 4.098 3.959 0.139 19087 8090 1 15 . 1 1 108 108 GLU C C 108 176.957 176.957 178.774 -1.817 19087 8091 1 15 . 1 1 108 108 GLU CA C 108 59.584 59.584 58.953 0.631 19087 8092 1 15 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.517 0.640 19087 8093 1 15 . 1 1 108 108 GLU H H 108 9.605 9.605 8.654 0.951 19087 8094 1 15 . 1 1 109 109 LEU N N 109 116.575 116.575 116.425 0.150 19087 8095 1 15 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.276 0.254 19087 8096 1 15 . 1 1 109 109 LEU C C 109 177.894 177.894 177.139 0.755 19087 8097 1 15 . 1 1 109 109 LEU CA C 109 53.489 53.489 56.243 -2.754 19087 8098 1 15 . 1 1 109 109 LEU CB C 109 42.241 42.241 41.576 0.665 19087 8099 1 15 . 1 1 109 109 LEU H H 109 7.630 7.630 7.389 0.241 19087 8100 1 15 . 1 1 110 110 SER N N 110 117.031 117.031 114.059 2.972 19087 8101 1 15 . 1 1 110 110 SER HA H 110 3.943 3.943 4.198 -0.255 19087 8102 1 15 . 1 1 110 110 SER C C 110 174.273 174.273 175.638 -1.365 19087 8103 1 15 . 1 1 110 110 SER CA C 110 59.543 59.543 60.559 -1.016 19087 8104 1 15 . 1 1 110 110 SER CB C 110 63.609 63.609 63.319 0.290 19087 8105 1 15 . 1 1 110 110 SER H H 110 7.757 7.757 7.759 -0.002 19087 8106 1 15 . 1 1 111 111 ASP N N 111 117.804 117.804 121.934 -4.130 19087 8107 1 15 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.800 -0.218 19087 8108 1 15 . 1 1 111 111 ASP C C 111 176.760 176.760 175.437 1.323 19087 8109 1 15 . 1 1 111 111 ASP CA C 111 53.976 53.976 54.381 -0.405 19087 8110 1 15 . 1 1 111 111 ASP CB C 111 40.183 40.183 42.778 -2.595 19087 8111 1 15 . 1 1 111 111 ASP H H 111 8.315 8.315 7.654 0.661 19087 8112 1 15 . 1 1 112 112 GLN N N 112 119.300 119.300 119.564 -0.264 19087 8113 1 15 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.623 -0.323 19087 8114 1 15 . 1 1 112 112 GLN CA C 112 55.014 55.014 53.130 1.884 19087 8115 1 15 . 1 1 112 112 GLN CB C 112 26.568 26.568 28.581 -2.013 19087 8116 1 15 . 1 1 112 112 GLN H H 112 7.212 7.212 7.439 -0.227 19087 8117 1 15 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.201 0.326 19087 8118 1 15 . 1 1 114 114 PRO C C 114 175.464 175.464 176.703 -1.239 19087 8119 1 15 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.067 1.002 19087 8120 1 15 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.763 -0.316 19087 8121 1 15 . 1 1 115 115 GLY N N 115 113.817 113.817 105.965 7.852 19087 8122 1 15 . 1 1 115 115 GLY C C 115 173.552 173.552 173.171 0.381 19087 8123 1 15 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.542 -0.589 19087 8124 1 15 . 1 1 115 115 GLY H H 115 8.443 8.443 8.063 0.380 19087 8125 1 15 . 1 1 116 116 VAL N N 116 122.049 122.049 122.410 -0.361 19087 8126 1 15 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.455 -0.324 19087 8127 1 15 . 1 1 116 116 VAL C C 116 174.533 174.533 175.491 -0.958 19087 8128 1 15 . 1 1 116 116 VAL CA C 116 63.916 63.916 63.696 0.220 19087 8129 1 15 . 1 1 116 116 VAL CB C 116 32.342 32.342 32.223 0.119 19087 8130 1 15 . 1 1 116 116 VAL H H 116 8.957 8.957 8.119 0.838 19087 8131 1 15 . 1 1 117 117 ILE N N 117 126.102 126.102 130.039 -3.937 19087 8132 1 15 . 1 1 117 117 ILE HA H 117 4.939 4.939 4.857 0.082 19087 8133 1 15 . 1 1 117 117 ILE C C 117 174.181 174.181 175.384 -1.203 19087 8134 1 15 . 1 1 117 117 ILE CA C 117 60.069 60.069 60.060 0.009 19087 8135 1 15 . 1 1 117 117 ILE CB C 117 42.368 42.368 39.747 2.621 19087 8136 1 15 . 1 1 117 117 ILE H H 117 7.863 7.863 8.472 -0.609 19087 8137 1 15 . 1 1 118 118 VAL N N 118 127.665 127.665 129.923 -2.258 19087 8138 1 15 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.144 0.780 19087 8139 1 15 . 1 1 118 118 VAL C C 118 175.224 175.224 175.335 -0.111 19087 8140 1 15 . 1 1 118 118 VAL CA C 118 60.580 60.580 62.131 -1.551 19087 8141 1 15 . 1 1 118 118 VAL CB C 118 33.945 33.945 31.717 2.228 19087 8142 1 15 . 1 1 118 118 VAL H H 118 9.348 9.348 8.668 0.680 19087 8143 1 15 . 1 1 119 119 VAL N N 119 121.828 121.828 126.386 -4.558 19087 8144 1 15 . 1 1 119 119 VAL HA H 119 5.563 5.563 5.279 0.284 19087 8145 1 15 . 1 1 119 119 VAL C C 119 174.425 174.425 174.805 -0.380 19087 8146 1 15 . 1 1 119 119 VAL CA C 119 58.691 58.691 60.005 -1.314 19087 8147 1 15 . 1 1 119 119 VAL CB C 119 32.886 32.886 32.944 -0.058 19087 8148 1 15 . 1 1 119 119 VAL H H 119 9.096 9.096 8.537 0.559 19087 8149 1 15 . 1 1 120 120 VAL N N 120 120.260 120.260 126.811 -6.551 19087 8150 1 15 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.473 0.345 19087 8151 1 15 . 1 1 120 120 VAL C C 120 175.649 175.649 175.098 0.551 19087 8152 1 15 . 1 1 120 120 VAL CA C 120 60.631 60.631 61.200 -0.569 19087 8153 1 15 . 1 1 120 120 VAL CB C 120 34.550 34.550 35.323 -0.773 19087 8154 1 15 . 1 1 120 120 VAL H H 120 8.809 8.809 8.571 0.238 19087 8155 1 15 . 1 1 121 121 THR N N 121 114.564 114.564 120.896 -6.332 19087 8156 1 15 . 1 1 121 121 THR HA H 121 4.428 4.428 4.681 -0.253 19087 8157 1 15 . 1 1 121 121 THR C C 121 173.833 173.833 173.999 -0.166 19087 8158 1 15 . 1 1 121 121 THR CA C 121 60.834 60.834 59.642 1.192 19087 8159 1 15 . 1 1 121 121 THR CB C 121 69.413 69.413 70.378 -0.965 19087 8160 1 15 . 1 1 121 121 THR H H 121 7.859 7.859 8.391 -0.532 19087 8161 1 16 . 1 1 6 6 SER C C 6 174.665 174.665 174.969 -0.304 19087 8162 1 16 . 1 1 6 6 SER CA C 6 58.745 58.745 59.094 -0.349 19087 8163 1 16 . 1 1 6 6 SER CB C 6 63.870 63.870 62.471 1.399 19087 8164 1 16 . 1 1 7 7 GLU N N 7 122.278 122.278 124.739 -2.461 19087 8165 1 16 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.382 0.346 19087 8166 1 16 . 1 1 7 7 GLU C C 7 176.279 176.279 176.436 -0.157 19087 8167 1 16 . 1 1 7 7 GLU CA C 7 56.894 56.894 56.725 0.169 19087 8168 1 16 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.988 0.221 19087 8169 1 16 . 1 1 7 7 GLU H H 7 8.475 8.475 8.147 0.328 19087 8170 1 16 . 1 1 8 8 ASP N N 8 120.753 120.753 121.396 -0.643 19087 8171 1 16 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.482 0.227 19087 8172 1 16 . 1 1 8 8 ASP C C 8 176.070 176.070 176.381 -0.311 19087 8173 1 16 . 1 1 8 8 ASP CA C 8 54.366 54.366 55.268 -0.902 19087 8174 1 16 . 1 1 8 8 ASP CB C 8 41.459 41.459 41.056 0.403 19087 8175 1 16 . 1 1 8 8 ASP H H 8 8.206 8.206 7.974 0.232 19087 8176 1 16 . 1 1 9 9 ASP N N 9 121.430 121.430 118.928 2.502 19087 8177 1 16 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.395 0.308 19087 8178 1 16 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.878 -0.434 19087 8179 1 16 . 1 1 9 9 ASP CB C 9 41.220 41.220 40.322 0.898 19087 8180 1 16 . 1 1 9 9 ASP H H 9 8.256 8.256 8.726 -0.470 19087 8181 1 16 . 1 1 11 11 SER C C 11 174.517 174.517 173.678 0.839 19087 8182 1 16 . 1 1 11 11 SER CA C 11 59.364 59.364 58.114 1.250 19087 8183 1 16 . 1 1 11 11 SER CB C 11 63.989 63.989 63.916 0.073 19087 8184 1 16 . 1 1 12 12 ALA N N 12 125.500 125.500 123.966 1.534 19087 8185 1 16 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.906 -0.550 19087 8186 1 16 . 1 1 12 12 ALA C C 12 177.811 177.811 176.327 1.484 19087 8187 1 16 . 1 1 12 12 ALA CA C 12 52.815 52.815 51.435 1.380 19087 8188 1 16 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.057 -0.853 19087 8189 1 16 . 1 1 12 12 ALA H H 12 8.087 8.087 8.713 -0.626 19087 8190 1 16 . 1 1 13 13 ILE N N 13 119.045 119.045 119.638 -0.593 19087 8191 1 16 . 1 1 13 13 ILE HA H 13 4.193 4.193 5.137 -0.944 19087 8192 1 16 . 1 1 13 13 ILE CA C 13 61.163 61.163 59.859 1.304 19087 8193 1 16 . 1 1 13 13 ILE CB C 13 38.721 38.721 40.665 -1.944 19087 8194 1 16 . 1 1 13 13 ILE H H 13 7.938 7.938 8.694 -0.756 19087 8195 1 16 . 1 1 14 14 SER N N 14 119.662 119.662 117.230 2.432 19087 8196 1 16 . 1 1 14 14 SER H H 14 8.339 8.339 8.522 -0.183 19087 8197 1 16 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.687 -0.401 19087 8198 1 16 . 1 1 21 21 ALA C C 21 177.013 177.013 175.766 1.247 19087 8199 1 16 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.642 -0.057 19087 8200 1 16 . 1 1 21 21 ALA CB C 21 19.339 19.339 19.906 -0.567 19087 8201 1 16 . 1 1 22 22 ALA N N 22 124.579 124.579 123.554 1.025 19087 8202 1 16 . 1 1 22 22 ALA HA H 22 4.725 4.725 5.152 -0.427 19087 8203 1 16 . 1 1 22 22 ALA CA C 22 50.310 50.310 50.890 -0.580 19087 8204 1 16 . 1 1 22 22 ALA CB C 22 18.232 18.232 19.460 -1.228 19087 8205 1 16 . 1 1 22 22 ALA H H 22 8.182 8.182 8.846 -0.664 19087 8206 1 16 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.246 -0.111 19087 8207 1 16 . 1 1 28 28 VAL C C 28 175.779 175.779 174.674 1.105 19087 8208 1 16 . 1 1 28 28 VAL CA C 28 62.167 62.167 62.555 -0.388 19087 8209 1 16 . 1 1 28 28 VAL CB C 28 32.681 32.681 33.304 -0.623 19087 8210 1 16 . 1 1 29 29 LYS N N 29 126.858 126.858 129.218 -2.360 19087 8211 1 16 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.740 -0.028 19087 8212 1 16 . 1 1 29 29 LYS CA C 29 54.135 54.135 53.727 0.408 19087 8213 1 16 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.787 -0.141 19087 8214 1 16 . 1 1 29 29 LYS H H 29 8.346 8.346 8.400 -0.054 19087 8215 1 16 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.396 0.006 19087 8216 1 16 . 1 1 30 30 PRO C C 30 176.435 176.435 176.436 -0.001 19087 8217 1 16 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.456 0.320 19087 8218 1 16 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.562 -0.409 19087 8219 1 16 . 1 1 31 31 ALA N N 31 124.680 124.680 124.617 0.063 19087 8220 1 16 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.288 0.059 19087 8221 1 16 . 1 1 31 31 ALA C C 31 176.860 176.860 177.496 -0.636 19087 8222 1 16 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.871 0.445 19087 8223 1 16 . 1 1 31 31 ALA CB C 31 19.398 19.398 18.651 0.747 19087 8224 1 16 . 1 1 31 31 ALA H H 31 8.324 8.324 8.153 0.171 19087 8225 1 16 . 1 1 32 32 ALA N N 32 125.011 125.011 128.963 -3.952 19087 8226 1 16 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.688 0.048 19087 8227 1 16 . 1 1 32 32 ALA CA C 32 50.487 50.487 49.412 1.075 19087 8228 1 16 . 1 1 32 32 ALA CB C 32 18.203 18.203 18.942 -0.739 19087 8229 1 16 . 1 1 32 32 ALA H H 32 8.246 8.246 8.307 -0.061 19087 8230 1 16 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.989 -0.523 19087 8231 1 16 . 1 1 33 33 PRO C C 33 176.834 176.834 176.367 0.467 19087 8232 1 16 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.035 0.790 19087 8233 1 16 . 1 1 33 33 PRO CB C 33 31.995 31.995 33.067 -1.072 19087 8234 1 16 . 1 1 34 34 ARG N N 34 121.170 121.170 120.299 0.871 19087 8235 1 16 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.110 0.276 19087 8236 1 16 . 1 1 34 34 ARG C C 34 175.853 175.853 175.547 0.306 19087 8237 1 16 . 1 1 34 34 ARG CA C 34 55.912 55.912 57.255 -1.343 19087 8238 1 16 . 1 1 34 34 ARG CB C 34 31.672 31.672 30.615 1.057 19087 8239 1 16 . 1 1 34 34 ARG H H 34 8.349 8.349 8.195 0.154 19087 8240 1 16 . 1 1 35 35 ALA N N 35 124.878 124.878 118.623 6.255 19087 8241 1 16 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.431 0.181 19087 8242 1 16 . 1 1 35 35 ALA C C 35 176.170 176.170 175.555 0.615 19087 8243 1 16 . 1 1 35 35 ALA CA C 35 51.566 51.566 50.874 0.692 19087 8244 1 16 . 1 1 35 35 ALA CB C 35 20.722 20.722 21.432 -0.710 19087 8245 1 16 . 1 1 35 35 ALA H H 35 8.008 8.008 7.611 0.397 19087 8246 1 16 . 1 1 36 36 GLU N N 36 119.776 119.776 120.643 -0.867 19087 8247 1 16 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.867 -0.436 19087 8248 1 16 . 1 1 36 36 GLU C C 36 174.618 174.618 175.218 -0.600 19087 8249 1 16 . 1 1 36 36 GLU CA C 36 56.472 56.472 55.176 1.296 19087 8250 1 16 . 1 1 36 36 GLU CB C 36 31.124 31.124 30.462 0.662 19087 8251 1 16 . 1 1 36 36 GLU H H 36 8.495 8.495 8.428 0.067 19087 8252 1 16 . 1 1 37 37 VAL N N 37 119.808 119.808 121.762 -1.954 19087 8253 1 16 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.604 0.298 19087 8254 1 16 . 1 1 37 37 VAL C C 37 174.285 174.285 175.110 -0.825 19087 8255 1 16 . 1 1 37 37 VAL CA C 37 60.639 60.639 60.734 -0.095 19087 8256 1 16 . 1 1 37 37 VAL CB C 37 34.612 34.612 34.946 -0.334 19087 8257 1 16 . 1 1 37 37 VAL H H 37 8.494 8.494 8.664 -0.170 19087 8258 1 16 . 1 1 38 38 ARG N N 38 124.534 124.534 122.097 2.437 19087 8259 1 16 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.021 -0.095 19087 8260 1 16 . 1 1 38 38 ARG C C 38 174.239 174.239 173.593 0.646 19087 8261 1 16 . 1 1 38 38 ARG CA C 38 55.092 55.092 54.323 0.769 19087 8262 1 16 . 1 1 38 38 ARG CB C 38 34.190 34.190 32.340 1.850 19087 8263 1 16 . 1 1 38 38 ARG H H 38 8.652 8.652 8.930 -0.278 19087 8264 1 16 . 1 1 39 39 VAL N N 39 121.231 121.231 124.892 -3.661 19087 8265 1 16 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.577 0.221 19087 8266 1 16 . 1 1 39 39 VAL C C 39 173.357 173.357 174.119 -0.762 19087 8267 1 16 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.135 -0.497 19087 8268 1 16 . 1 1 39 39 VAL CB C 39 34.294 34.294 33.251 1.043 19087 8269 1 16 . 1 1 39 39 VAL H H 39 7.934 7.934 8.325 -0.391 19087 8270 1 16 . 1 1 40 40 TYR N N 40 122.262 122.262 126.799 -4.537 19087 8271 1 16 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.375 -0.221 19087 8272 1 16 . 1 1 40 40 TYR C C 40 175.124 175.124 175.381 -0.257 19087 8273 1 16 . 1 1 40 40 TYR CA C 40 55.540 55.540 55.069 0.471 19087 8274 1 16 . 1 1 40 40 TYR CB C 40 42.223 42.223 40.855 1.368 19087 8275 1 16 . 1 1 40 40 TYR H H 40 9.343 9.343 8.883 0.460 19087 8276 1 16 . 1 1 41 41 ASN N N 41 121.684 121.684 121.796 -0.112 19087 8277 1 16 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.165 -0.133 19087 8278 1 16 . 1 1 41 41 ASN C C 41 176.301 176.301 175.857 0.444 19087 8279 1 16 . 1 1 41 41 ASN CA C 41 52.635 52.635 53.297 -0.662 19087 8280 1 16 . 1 1 41 41 ASN CB C 41 39.836 39.836 38.642 1.194 19087 8281 1 16 . 1 1 41 41 ASN H H 41 9.287 9.287 8.703 0.584 19087 8282 1 16 . 1 1 42 42 ILE N N 42 119.462 119.462 125.695 -6.233 19087 8283 1 16 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.741 0.709 19087 8284 1 16 . 1 1 42 42 ILE C C 42 176.450 176.450 175.680 0.770 19087 8285 1 16 . 1 1 42 42 ILE CA C 42 60.513 60.513 60.910 -0.397 19087 8286 1 16 . 1 1 42 42 ILE CB C 42 38.597 38.597 39.222 -0.625 19087 8287 1 16 . 1 1 42 42 ILE H H 42 8.541 8.541 8.136 0.405 19087 8288 1 16 . 1 1 43 43 SER N N 43 118.212 118.212 113.715 4.497 19087 8289 1 16 . 1 1 43 43 SER HA H 43 4.729 4.729 4.705 0.024 19087 8290 1 16 . 1 1 43 43 SER CA C 43 58.598 58.598 56.794 1.804 19087 8291 1 16 . 1 1 43 43 SER CB C 43 66.262 66.262 66.069 0.193 19087 8292 1 16 . 1 1 43 43 SER H H 43 8.142 8.142 7.369 0.773 19087 8293 1 16 . 1 1 44 44 GLY C C 44 174.414 174.414 173.608 0.806 19087 8294 1 16 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.972 -0.593 19087 8295 1 16 . 1 1 45 45 THR N N 45 116.371 116.371 116.561 -0.190 19087 8296 1 16 . 1 1 45 45 THR HA H 45 4.384 4.384 4.540 -0.156 19087 8297 1 16 . 1 1 45 45 THR CA C 45 61.814 61.814 60.440 1.374 19087 8298 1 16 . 1 1 45 45 THR CB C 45 69.787 69.787 70.854 -1.067 19087 8299 1 16 . 1 1 45 45 THR H H 45 8.298 8.298 7.659 0.639 19087 8300 1 16 . 1 1 47 47 GLY C C 47 175.691 175.691 175.662 0.029 19087 8301 1 16 . 1 1 47 47 GLY CA C 47 46.191 46.191 46.002 0.189 19087 8302 1 16 . 1 1 48 48 ALA N N 48 121.957 121.957 124.387 -2.430 19087 8303 1 16 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.140 -0.111 19087 8304 1 16 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.259 1.143 19087 8305 1 16 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.383 0.110 19087 8306 1 16 . 1 1 48 48 ALA H H 48 7.511 7.511 8.144 -0.633 19087 8307 1 16 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.932 0.052 19087 8308 1 16 . 1 1 49 49 ALA C C 49 178.073 178.073 178.933 -0.860 19087 8309 1 16 . 1 1 49 49 ALA CA C 49 54.861 54.861 55.014 -0.153 19087 8310 1 16 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.378 0.311 19087 8311 1 16 . 1 1 50 50 ALA N N 50 122.654 122.654 119.982 2.672 19087 8312 1 16 . 1 1 50 50 ALA HA H 50 3.989 3.989 4.026 -0.037 19087 8313 1 16 . 1 1 50 50 ALA C C 50 179.642 179.642 179.176 0.466 19087 8314 1 16 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.341 1.510 19087 8315 1 16 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.119 -0.331 19087 8316 1 16 . 1 1 50 50 ALA H H 50 7.965 7.965 7.623 0.342 19087 8317 1 16 . 1 1 51 51 ARG N N 51 116.659 116.659 119.178 -2.519 19087 8318 1 16 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.100 0.091 19087 8319 1 16 . 1 1 51 51 ARG C C 51 179.931 179.931 178.335 1.596 19087 8320 1 16 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.832 0.680 19087 8321 1 16 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.837 0.625 19087 8322 1 16 . 1 1 51 51 ARG H H 51 7.982 7.982 8.070 -0.088 19087 8323 1 16 . 1 1 52 52 THR N N 52 117.745 117.745 113.242 4.503 19087 8324 1 16 . 1 1 52 52 THR HA H 52 4.162 4.162 4.121 0.041 19087 8325 1 16 . 1 1 52 52 THR C C 52 175.626 175.626 175.893 -0.267 19087 8326 1 16 . 1 1 52 52 THR CA C 52 68.565 68.565 65.522 3.043 19087 8327 1 16 . 1 1 52 52 THR CB C 52 70.787 70.787 68.491 2.296 19087 8328 1 16 . 1 1 52 52 THR H H 52 7.661 7.661 7.626 0.035 19087 8329 1 16 . 1 1 53 53 ALA N N 53 123.939 123.939 123.018 0.921 19087 8330 1 16 . 1 1 53 53 ALA HA H 53 3.886 3.886 3.927 -0.041 19087 8331 1 16 . 1 1 53 53 ALA C C 53 179.013 179.013 179.159 -0.146 19087 8332 1 16 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.623 1.573 19087 8333 1 16 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.242 0.475 19087 8334 1 16 . 1 1 53 53 ALA H H 53 8.805 8.805 7.721 1.084 19087 8335 1 16 . 1 1 54 54 ASP N N 54 118.351 118.351 119.829 -1.478 19087 8336 1 16 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.291 0.141 19087 8337 1 16 . 1 1 54 54 ASP C C 54 179.376 179.376 177.868 1.508 19087 8338 1 16 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.343 0.664 19087 8339 1 16 . 1 1 54 54 ASP CB C 54 40.242 40.242 40.984 -0.742 19087 8340 1 16 . 1 1 54 54 ASP H H 54 8.327 8.327 7.970 0.357 19087 8341 1 16 . 1 1 55 55 ARG N N 55 121.120 121.120 118.439 2.681 19087 8342 1 16 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.190 -0.015 19087 8343 1 16 . 1 1 55 55 ARG C C 55 179.550 179.550 178.812 0.738 19087 8344 1 16 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.097 1.188 19087 8345 1 16 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.444 -0.124 19087 8346 1 16 . 1 1 55 55 ARG H H 55 7.723 7.723 7.446 0.277 19087 8347 1 16 . 1 1 56 56 LEU N N 56 118.659 118.659 121.472 -2.813 19087 8348 1 16 . 1 1 56 56 LEU HA H 56 4.332 4.332 3.804 0.528 19087 8349 1 16 . 1 1 56 56 LEU C C 56 179.305 179.305 178.261 1.044 19087 8350 1 16 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.808 -0.371 19087 8351 1 16 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.563 -0.276 19087 8352 1 16 . 1 1 56 56 LEU H H 56 8.215 8.215 7.538 0.677 19087 8353 1 16 . 1 1 57 57 LYS N N 57 122.713 122.713 119.285 3.428 19087 8354 1 16 . 1 1 57 57 LYS HA H 57 4.513 4.513 4.098 0.415 19087 8355 1 16 . 1 1 57 57 LYS C C 57 181.436 181.436 178.565 2.871 19087 8356 1 16 . 1 1 57 57 LYS CA C 57 60.004 60.004 59.629 0.375 19087 8357 1 16 . 1 1 57 57 LYS CB C 57 32.437 32.437 32.313 0.124 19087 8358 1 16 . 1 1 57 57 LYS H H 57 8.914 8.914 7.652 1.262 19087 8359 1 16 . 1 1 58 58 ALA N N 58 122.423 122.423 119.883 2.540 19087 8360 1 16 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.255 -0.045 19087 8361 1 16 . 1 1 58 58 ALA C C 58 178.516 178.516 178.352 0.164 19087 8362 1 16 . 1 1 58 58 ALA CA C 58 55.069 55.069 53.727 1.342 19087 8363 1 16 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.545 -0.636 19087 8364 1 16 . 1 1 58 58 ALA H H 58 8.026 8.026 7.711 0.315 19087 8365 1 16 . 1 1 59 59 ALA N N 59 118.347 118.347 119.992 -1.645 19087 8366 1 16 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.477 0.009 19087 8367 1 16 . 1 1 59 59 ALA C C 59 176.797 176.797 177.595 -0.798 19087 8368 1 16 . 1 1 59 59 ALA CA C 59 51.758 51.758 51.878 -0.120 19087 8369 1 16 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.361 0.008 19087 8370 1 16 . 1 1 59 59 ALA H H 59 7.413 7.413 7.687 -0.274 19087 8371 1 16 . 1 1 60 60 GLY N N 60 104.918 104.918 105.955 -1.037 19087 8372 1 16 . 1 1 60 60 GLY C C 60 174.741 174.741 173.351 1.390 19087 8373 1 16 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.755 0.481 19087 8374 1 16 . 1 1 60 60 GLY H H 60 7.694 7.694 7.837 -0.143 19087 8375 1 16 . 1 1 61 61 PHE N N 61 118.862 118.862 118.860 0.002 19087 8376 1 16 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.772 -0.277 19087 8377 1 16 . 1 1 61 61 PHE C C 61 175.204 175.204 176.010 -0.806 19087 8378 1 16 . 1 1 61 61 PHE CA C 61 58.483 58.483 56.898 1.585 19087 8379 1 16 . 1 1 61 61 PHE CB C 61 39.163 39.163 40.563 -1.401 19087 8380 1 16 . 1 1 61 61 PHE H H 61 7.879 7.879 7.854 0.025 19087 8381 1 16 . 1 1 62 62 THR N N 62 121.319 121.319 117.129 4.190 19087 8382 1 16 . 1 1 62 62 THR HA H 62 4.303 4.303 4.183 0.120 19087 8383 1 16 . 1 1 62 62 THR C C 62 173.073 173.073 174.498 -1.425 19087 8384 1 16 . 1 1 62 62 THR CA C 62 69.389 69.389 65.332 4.057 19087 8385 1 16 . 1 1 62 62 THR CB C 62 62.478 62.478 69.372 -6.894 19087 8386 1 16 . 1 1 62 62 THR H H 62 9.493 9.493 8.348 1.145 19087 8387 1 16 . 1 1 63 63 VAL N N 63 128.406 128.406 113.352 15.054 19087 8388 1 16 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.520 0.140 19087 8389 1 16 . 1 1 63 63 VAL C C 63 177.267 177.267 173.932 3.335 19087 8390 1 16 . 1 1 63 63 VAL CA C 63 60.099 60.099 59.713 0.386 19087 8391 1 16 . 1 1 63 63 VAL CB C 63 32.572 32.572 34.695 -2.123 19087 8392 1 16 . 1 1 63 63 VAL H H 63 8.293 8.293 7.518 0.775 19087 8393 1 16 . 1 1 64 64 THR N N 64 118.495 118.495 114.086 4.409 19087 8394 1 16 . 1 1 64 64 THR HA H 64 4.350 4.350 5.233 -0.883 19087 8395 1 16 . 1 1 64 64 THR CA C 64 62.182 62.182 59.800 2.382 19087 8396 1 16 . 1 1 64 64 THR CB C 64 69.143 69.143 70.618 -1.475 19087 8397 1 16 . 1 1 64 64 THR H H 64 8.770 8.770 8.015 0.755 19087 8398 1 16 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.880 -0.579 19087 8399 1 16 . 1 1 65 65 ASP C C 65 173.778 173.778 174.411 -0.633 19087 8400 1 16 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.537 0.750 19087 8401 1 16 . 1 1 65 65 ASP CB C 65 44.018 44.018 42.940 1.078 19087 8402 1 16 . 1 1 66 66 VAL N N 66 121.705 121.705 125.306 -3.601 19087 8403 1 16 . 1 1 66 66 VAL HA H 66 4.863 4.863 4.999 -0.136 19087 8404 1 16 . 1 1 66 66 VAL C C 66 176.234 176.234 176.188 0.046 19087 8405 1 16 . 1 1 66 66 VAL CA C 66 60.597 60.597 60.939 -0.342 19087 8406 1 16 . 1 1 66 66 VAL CB C 66 34.120 34.120 33.523 0.597 19087 8407 1 16 . 1 1 66 66 VAL H H 66 7.849 7.849 8.426 -0.577 19087 8408 1 16 . 1 1 67 67 GLY N N 67 112.050 112.050 114.987 -2.937 19087 8409 1 16 . 1 1 67 67 GLY CA C 67 45.618 45.618 44.914 0.704 19087 8410 1 16 . 1 1 67 67 GLY H H 67 8.151 8.151 8.783 -0.632 19087 8411 1 16 . 1 1 68 68 ASN C C 68 173.771 173.771 173.970 -0.199 19087 8412 1 16 . 1 1 68 68 ASN CA C 68 53.062 53.062 52.448 0.614 19087 8413 1 16 . 1 1 68 68 ASN CB C 68 39.832 39.832 41.129 -1.297 19087 8414 1 16 . 1 1 69 69 LEU N N 69 121.003 121.003 123.260 -2.257 19087 8415 1 16 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.659 -0.122 19087 8416 1 16 . 1 1 69 69 LEU C C 69 174.751 174.751 175.144 -0.393 19087 8417 1 16 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.341 -0.416 19087 8418 1 16 . 1 1 69 69 LEU CB C 69 47.313 47.313 46.120 1.193 19087 8419 1 16 . 1 1 69 69 LEU H H 69 8.276 8.276 8.623 -0.347 19087 8420 1 16 . 1 1 70 70 SER N N 70 116.269 116.269 117.391 -1.122 19087 8421 1 16 . 1 1 70 70 SER C C 70 173.777 173.777 173.370 0.407 19087 8422 1 16 . 1 1 70 70 SER CA C 70 56.923 56.923 57.868 -0.945 19087 8423 1 16 . 1 1 70 70 SER CB C 70 63.219 63.219 63.641 -0.422 19087 8424 1 16 . 1 1 70 70 SER H H 70 8.122 8.122 8.528 -0.406 19087 8425 1 16 . 1 1 71 71 LEU N N 71 127.999 127.999 126.232 1.767 19087 8426 1 16 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.807 -0.051 19087 8427 1 16 . 1 1 71 71 LEU CA C 71 52.165 52.165 51.546 0.619 19087 8428 1 16 . 1 1 71 71 LEU CB C 71 44.179 44.179 43.381 0.798 19087 8429 1 16 . 1 1 71 71 LEU H H 71 8.293 8.293 8.270 0.023 19087 8430 1 16 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.314 0.046 19087 8431 1 16 . 1 1 72 72 PRO C C 72 176.922 176.922 176.677 0.245 19087 8432 1 16 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.289 -0.045 19087 8433 1 16 . 1 1 72 72 PRO CB C 72 32.466 32.466 32.000 0.466 19087 8434 1 16 . 1 1 73 73 ASP N N 73 115.106 115.106 116.610 -1.504 19087 8435 1 16 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.502 0.056 19087 8436 1 16 . 1 1 73 73 ASP C C 73 175.809 175.809 174.764 1.045 19087 8437 1 16 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.523 0.622 19087 8438 1 16 . 1 1 73 73 ASP CB C 73 40.778 40.778 40.588 0.190 19087 8439 1 16 . 1 1 73 73 ASP H H 73 8.431 8.431 8.444 -0.013 19087 8440 1 16 . 1 1 74 74 VAL N N 74 122.218 122.218 113.384 8.834 19087 8441 1 16 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.646 -0.680 19087 8442 1 16 . 1 1 74 74 VAL C C 74 175.339 175.339 174.311 1.028 19087 8443 1 16 . 1 1 74 74 VAL CA C 74 63.871 63.871 60.767 3.104 19087 8444 1 16 . 1 1 74 74 VAL CB C 74 32.075 32.075 32.982 -0.907 19087 8445 1 16 . 1 1 74 74 VAL H H 74 7.468 7.468 7.619 -0.151 19087 8446 1 16 . 1 1 75 75 ALA N N 75 128.630 128.630 128.351 0.279 19087 8447 1 16 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.572 -0.147 19087 8448 1 16 . 1 1 75 75 ALA C C 75 176.404 176.404 176.010 0.394 19087 8449 1 16 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.201 0.226 19087 8450 1 16 . 1 1 75 75 ALA CB C 75 20.471 20.471 20.017 0.454 19087 8451 1 16 . 1 1 75 75 ALA H H 75 8.581 8.581 8.604 -0.023 19087 8452 1 16 . 1 1 76 76 ALA N N 76 120.481 120.481 120.976 -0.495 19087 8453 1 16 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.712 -0.055 19087 8454 1 16 . 1 1 76 76 ALA C C 76 175.925 175.925 175.748 0.177 19087 8455 1 16 . 1 1 76 76 ALA CA C 76 50.995 50.995 50.992 0.003 19087 8456 1 16 . 1 1 76 76 ALA CB C 76 22.365 22.365 21.115 1.250 19087 8457 1 16 . 1 1 76 76 ALA H H 76 7.438 7.438 7.519 -0.081 19087 8458 1 16 . 1 1 77 77 THR N N 77 121.464 121.464 117.165 4.299 19087 8459 1 16 . 1 1 77 77 THR HA H 77 4.734 4.734 4.542 0.192 19087 8460 1 16 . 1 1 77 77 THR C C 77 174.143 174.143 173.775 0.368 19087 8461 1 16 . 1 1 77 77 THR CA C 77 63.914 63.914 62.480 1.434 19087 8462 1 16 . 1 1 77 77 THR CB C 77 70.070 70.070 68.476 1.594 19087 8463 1 16 . 1 1 77 77 THR H H 77 8.390 8.390 8.392 -0.002 19087 8464 1 16 . 1 1 78 78 THR N N 78 123.538 123.538 124.989 -1.451 19087 8465 1 16 . 1 1 78 78 THR HA H 78 4.644 4.644 4.784 -0.140 19087 8466 1 16 . 1 1 78 78 THR C C 78 181.684 181.684 172.742 8.942 19087 8467 1 16 . 1 1 78 78 THR CA C 78 62.511 62.511 61.946 0.565 19087 8468 1 16 . 1 1 78 78 THR CB C 78 72.846 72.846 72.786 0.060 19087 8469 1 16 . 1 1 78 78 THR H H 78 8.355 8.355 8.822 -0.467 19087 8470 1 16 . 1 1 79 79 VAL N N 79 126.455 126.455 125.630 0.825 19087 8471 1 16 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.700 -0.104 19087 8472 1 16 . 1 1 79 79 VAL C C 79 173.702 173.702 174.711 -1.009 19087 8473 1 16 . 1 1 79 79 VAL CA C 79 60.385 60.385 61.653 -1.268 19087 8474 1 16 . 1 1 79 79 VAL CB C 79 33.089 33.089 32.514 0.575 19087 8475 1 16 . 1 1 79 79 VAL H H 79 8.685 8.685 8.770 -0.085 19087 8476 1 16 . 1 1 80 80 TYR N N 80 123.574 123.574 127.868 -4.294 19087 8477 1 16 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.149 1.251 19087 8478 1 16 . 1 1 80 80 TYR C C 80 176.410 176.410 175.251 1.159 19087 8479 1 16 . 1 1 80 80 TYR CA C 80 56.608 56.608 56.422 0.186 19087 8480 1 16 . 1 1 80 80 TYR CB C 80 42.567 42.567 39.496 3.071 19087 8481 1 16 . 1 1 80 80 TYR H H 80 9.702 9.702 8.963 0.739 19087 8482 1 16 . 1 1 81 81 TYR N N 81 117.754 117.754 118.213 -0.459 19087 8483 1 16 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.118 0.356 19087 8484 1 16 . 1 1 81 81 TYR C C 81 173.237 173.237 173.993 -0.756 19087 8485 1 16 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.922 -0.424 19087 8486 1 16 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.751 1.498 19087 8487 1 16 . 1 1 81 81 TYR H H 81 8.221 8.221 8.152 0.069 19087 8488 1 16 . 1 1 82 82 THR N N 82 111.056 111.056 115.372 -4.316 19087 8489 1 16 . 1 1 82 82 THR HA H 82 4.724 4.724 4.657 0.067 19087 8490 1 16 . 1 1 82 82 THR C C 82 174.521 174.521 174.932 -0.411 19087 8491 1 16 . 1 1 82 82 THR CA C 82 60.896 60.896 61.550 -0.654 19087 8492 1 16 . 1 1 82 82 THR CB C 82 71.506 71.506 70.469 1.037 19087 8493 1 16 . 1 1 82 82 THR H H 82 8.245 8.245 8.758 -0.513 19087 8494 1 16 . 1 1 83 83 GLU N N 83 117.058 117.058 118.375 -1.317 19087 8495 1 16 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.638 -0.161 19087 8496 1 16 . 1 1 83 83 GLU C C 83 176.152 176.152 176.259 -0.107 19087 8497 1 16 . 1 1 83 83 GLU CA C 83 57.179 57.179 56.180 0.999 19087 8498 1 16 . 1 1 83 83 GLU CB C 83 28.714 28.714 32.278 -3.564 19087 8499 1 16 . 1 1 83 83 GLU H H 83 8.772 8.772 8.437 0.335 19087 8500 1 16 . 1 1 84 84 VAL N N 84 123.039 123.039 123.023 0.016 19087 8501 1 16 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.723 0.171 19087 8502 1 16 . 1 1 84 84 VAL C C 84 177.170 177.170 175.342 1.828 19087 8503 1 16 . 1 1 84 84 VAL CA C 84 63.678 63.678 64.676 -0.998 19087 8504 1 16 . 1 1 84 84 VAL CB C 84 32.474 32.474 31.074 1.400 19087 8505 1 16 . 1 1 84 84 VAL H H 84 7.818 7.818 7.872 -0.054 19087 8506 1 16 . 1 1 85 85 GLU N N 85 129.351 129.351 123.127 6.224 19087 8507 1 16 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.989 -0.097 19087 8508 1 16 . 1 1 85 85 GLU CA C 85 59.005 59.005 56.867 2.138 19087 8509 1 16 . 1 1 85 85 GLU CB C 85 29.523 29.523 27.753 1.770 19087 8510 1 16 . 1 1 85 85 GLU H H 85 8.796 8.796 8.745 0.051 19087 8511 1 16 . 1 1 86 86 GLY C C 86 176.321 176.321 175.309 1.012 19087 8512 1 16 . 1 1 86 86 GLY CA C 86 45.876 45.876 44.852 1.024 19087 8513 1 16 . 1 1 87 87 GLU N N 87 121.773 121.773 119.740 2.033 19087 8514 1 16 . 1 1 87 87 GLU HA H 87 3.948 3.948 3.907 0.041 19087 8515 1 16 . 1 1 87 87 GLU C C 87 178.276 178.276 178.241 0.035 19087 8516 1 16 . 1 1 87 87 GLU CA C 87 61.762 61.762 59.681 2.081 19087 8517 1 16 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.693 0.403 19087 8518 1 16 . 1 1 87 87 GLU H H 87 8.133 8.133 8.276 -0.143 19087 8519 1 16 . 1 1 88 88 ARG N N 88 121.466 121.466 117.013 4.453 19087 8520 1 16 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.360 0.002 19087 8521 1 16 . 1 1 88 88 ARG C C 88 177.229 177.229 177.734 -0.505 19087 8522 1 16 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.702 0.791 19087 8523 1 16 . 1 1 88 88 ARG CB C 88 29.059 29.059 29.374 -0.315 19087 8524 1 16 . 1 1 88 88 ARG H H 88 9.132 9.132 8.605 0.527 19087 8525 1 16 . 1 1 89 89 ALA N N 89 119.527 119.527 121.319 -1.792 19087 8526 1 16 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.247 -0.064 19087 8527 1 16 . 1 1 89 89 ALA C C 89 181.949 181.949 179.087 2.862 19087 8528 1 16 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.642 0.641 19087 8529 1 16 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.287 -0.159 19087 8530 1 16 . 1 1 89 89 ALA H H 89 8.388 8.388 7.377 1.011 19087 8531 1 16 . 1 1 90 90 THR N N 90 115.279 115.279 112.310 2.969 19087 8532 1 16 . 1 1 90 90 THR HA H 90 4.146 4.146 4.468 -0.322 19087 8533 1 16 . 1 1 90 90 THR C C 90 175.118 175.118 176.311 -1.193 19087 8534 1 16 . 1 1 90 90 THR CA C 90 66.607 66.607 65.033 1.574 19087 8535 1 16 . 1 1 90 90 THR CB C 90 68.971 68.971 68.965 0.006 19087 8536 1 16 . 1 1 90 90 THR H H 90 7.640 7.640 7.658 -0.018 19087 8537 1 16 . 1 1 91 91 ALA N N 91 124.784 124.784 123.441 1.343 19087 8538 1 16 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.121 -0.352 19087 8539 1 16 . 1 1 91 91 ALA C C 91 178.546 178.546 178.707 -0.161 19087 8540 1 16 . 1 1 91 91 ALA CA C 91 55.552 55.552 54.328 1.224 19087 8541 1 16 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.198 1.055 19087 8542 1 16 . 1 1 91 91 ALA H H 91 9.095 9.095 7.918 1.177 19087 8543 1 16 . 1 1 92 92 ASP N N 92 118.310 118.310 120.512 -2.202 19087 8544 1 16 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.112 0.305 19087 8545 1 16 . 1 1 92 92 ASP C C 92 179.053 179.053 177.931 1.122 19087 8546 1 16 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.753 -0.111 19087 8547 1 16 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.526 -0.097 19087 8548 1 16 . 1 1 92 92 ASP H H 92 8.898 8.898 7.583 1.315 19087 8549 1 16 . 1 1 93 93 ALA N N 93 122.980 122.980 120.472 2.508 19087 8550 1 16 . 1 1 93 93 ALA HA H 93 4.274 4.274 3.987 0.287 19087 8551 1 16 . 1 1 93 93 ALA C C 93 180.933 180.933 179.205 1.728 19087 8552 1 16 . 1 1 93 93 ALA CA C 93 55.575 55.575 54.950 0.625 19087 8553 1 16 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.751 -0.575 19087 8554 1 16 . 1 1 93 93 ALA H H 93 7.424 7.424 7.409 0.015 19087 8555 1 16 . 1 1 94 94 VAL N N 94 123.968 123.968 117.473 6.495 19087 8556 1 16 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.925 -0.981 19087 8557 1 16 . 1 1 94 94 VAL C C 94 178.269 178.269 178.352 -0.083 19087 8558 1 16 . 1 1 94 94 VAL CA C 94 66.399 66.399 65.579 0.820 19087 8559 1 16 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.851 -1.148 19087 8560 1 16 . 1 1 94 94 VAL H H 94 8.808 8.808 7.383 1.425 19087 8561 1 16 . 1 1 95 95 GLY N N 95 108.282 108.282 107.095 1.187 19087 8562 1 16 . 1 1 95 95 GLY C C 95 176.440 176.440 175.814 0.626 19087 8563 1 16 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.182 0.737 19087 8564 1 16 . 1 1 95 95 GLY H H 95 9.355 9.355 8.383 0.972 19087 8565 1 16 . 1 1 96 96 ARG N N 96 120.852 120.852 119.079 1.773 19087 8566 1 16 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.139 0.064 19087 8567 1 16 . 1 1 96 96 ARG C C 96 179.101 179.101 178.362 0.739 19087 8568 1 16 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.956 0.254 19087 8569 1 16 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.121 0.413 19087 8570 1 16 . 1 1 96 96 ARG H H 96 8.112 8.112 7.561 0.551 19087 8571 1 16 . 1 1 97 97 THR N N 97 117.170 117.170 114.754 2.416 19087 8572 1 16 . 1 1 97 97 THR HA H 97 3.986 3.986 4.084 -0.098 19087 8573 1 16 . 1 1 97 97 THR C C 97 175.451 175.451 175.595 -0.144 19087 8574 1 16 . 1 1 97 97 THR CA C 97 66.867 66.867 65.101 1.766 19087 8575 1 16 . 1 1 97 97 THR CB C 97 68.205 68.205 68.696 -0.491 19087 8576 1 16 . 1 1 97 97 THR H H 97 7.854 7.854 7.401 0.453 19087 8577 1 16 . 1 1 98 98 LEU N N 98 115.294 115.294 118.439 -3.145 19087 8578 1 16 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.477 -0.172 19087 8579 1 16 . 1 1 98 98 LEU C C 98 177.537 177.537 178.256 -0.719 19087 8580 1 16 . 1 1 98 98 LEU CA C 98 54.583 54.583 54.801 -0.218 19087 8581 1 16 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.200 1.173 19087 8582 1 16 . 1 1 98 98 LEU H H 98 7.855 7.855 7.685 0.170 19087 8583 1 16 . 1 1 99 99 GLY N N 99 111.931 111.931 107.605 4.326 19087 8584 1 16 . 1 1 99 99 GLY C C 99 173.997 173.997 174.299 -0.302 19087 8585 1 16 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.509 1.484 19087 8586 1 16 . 1 1 99 99 GLY H H 99 8.101 8.101 7.480 0.621 19087 8587 1 16 . 1 1 100 100 ALA N N 100 121.739 121.739 122.153 -0.414 19087 8588 1 16 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.320 0.417 19087 8589 1 16 . 1 1 100 100 ALA C C 100 175.351 175.351 176.839 -1.488 19087 8590 1 16 . 1 1 100 100 ALA CA C 100 50.406 50.406 51.120 -0.714 19087 8591 1 16 . 1 1 100 100 ALA CB C 100 23.959 23.959 20.110 3.849 19087 8592 1 16 . 1 1 100 100 ALA H H 100 8.033 8.033 7.629 0.404 19087 8593 1 16 . 1 1 101 101 ALA N N 101 122.895 122.895 126.803 -3.908 19087 8594 1 16 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.285 -0.076 19087 8595 1 16 . 1 1 101 101 ALA C C 101 175.179 175.179 176.943 -1.764 19087 8596 1 16 . 1 1 101 101 ALA CA C 101 52.737 52.737 52.065 0.672 19087 8597 1 16 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.156 0.658 19087 8598 1 16 . 1 1 101 101 ALA H H 101 7.782 7.782 7.909 -0.127 19087 8599 1 16 . 1 1 102 102 VAL N N 102 120.035 120.035 120.795 -0.760 19087 8600 1 16 . 1 1 102 102 VAL HA H 102 5.054 5.054 4.519 0.535 19087 8601 1 16 . 1 1 102 102 VAL C C 102 176.587 176.587 175.374 1.213 19087 8602 1 16 . 1 1 102 102 VAL CA C 102 60.988 60.988 62.028 -1.040 19087 8603 1 16 . 1 1 102 102 VAL CB C 102 33.725 33.725 31.556 2.169 19087 8604 1 16 . 1 1 102 102 VAL H H 102 7.872 7.872 8.265 -0.393 19087 8605 1 16 . 1 1 103 103 GLU N N 103 126.469 126.469 127.391 -0.922 19087 8606 1 16 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.501 0.378 19087 8607 1 16 . 1 1 103 103 GLU C C 103 174.343 174.343 175.161 -0.818 19087 8608 1 16 . 1 1 103 103 GLU CA C 103 54.351 54.351 53.263 1.088 19087 8609 1 16 . 1 1 103 103 GLU CB C 103 35.595 35.595 32.431 3.163 19087 8610 1 16 . 1 1 103 103 GLU H H 103 9.215 9.215 8.631 0.584 19087 8611 1 16 . 1 1 104 104 LEU N N 104 123.109 123.109 119.864 3.245 19087 8612 1 16 . 1 1 104 104 LEU HA H 104 3.591 3.591 4.223 -0.632 19087 8613 1 16 . 1 1 104 104 LEU C C 104 178.379 178.379 179.132 -0.753 19087 8614 1 16 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.683 -0.763 19087 8615 1 16 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.091 0.819 19087 8616 1 16 . 1 1 104 104 LEU H H 104 8.273 8.273 8.338 -0.065 19087 8617 1 16 . 1 1 105 105 ARG N N 105 119.790 119.790 120.421 -0.631 19087 8618 1 16 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.094 0.167 19087 8619 1 16 . 1 1 105 105 ARG C C 105 177.043 177.043 176.445 0.598 19087 8620 1 16 . 1 1 105 105 ARG CA C 105 59.310 59.310 58.103 1.207 19087 8621 1 16 . 1 1 105 105 ARG CB C 105 32.077 32.077 30.030 2.047 19087 8622 1 16 . 1 1 105 105 ARG H H 105 8.300 8.300 8.105 0.195 19087 8623 1 16 . 1 1 106 106 LEU N N 106 122.431 122.431 115.053 7.378 19087 8624 1 16 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.049 0.349 19087 8625 1 16 . 1 1 106 106 LEU CA C 106 54.701 54.701 54.639 0.062 19087 8626 1 16 . 1 1 106 106 LEU CB C 106 42.469 42.469 40.901 1.567 19087 8627 1 16 . 1 1 106 106 LEU H H 106 8.026 8.026 7.790 0.236 19087 8628 1 16 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.194 0.045 19087 8629 1 16 . 1 1 107 107 PRO C C 107 179.627 179.627 178.483 1.144 19087 8630 1 16 . 1 1 107 107 PRO CA C 107 65.898 65.898 65.449 0.449 19087 8631 1 16 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.866 -0.347 19087 8632 1 16 . 1 1 108 108 GLU N N 108 116.744 116.744 118.515 -1.771 19087 8633 1 16 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.132 -0.034 19087 8634 1 16 . 1 1 108 108 GLU C C 108 176.957 176.957 178.947 -1.990 19087 8635 1 16 . 1 1 108 108 GLU CA C 108 59.584 59.584 59.160 0.424 19087 8636 1 16 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.636 0.521 19087 8637 1 16 . 1 1 108 108 GLU H H 108 9.605 9.605 8.623 0.982 19087 8638 1 16 . 1 1 109 109 LEU N N 109 116.575 116.575 117.998 -1.423 19087 8639 1 16 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.156 0.374 19087 8640 1 16 . 1 1 109 109 LEU C C 109 177.894 177.894 177.292 0.602 19087 8641 1 16 . 1 1 109 109 LEU CA C 109 53.489 53.489 55.971 -2.482 19087 8642 1 16 . 1 1 109 109 LEU CB C 109 42.241 42.241 41.931 0.310 19087 8643 1 16 . 1 1 109 109 LEU H H 109 7.630 7.630 7.661 -0.031 19087 8644 1 16 . 1 1 110 110 SER N N 110 117.031 117.031 113.169 3.862 19087 8645 1 16 . 1 1 110 110 SER HA H 110 3.943 3.943 4.353 -0.410 19087 8646 1 16 . 1 1 110 110 SER C C 110 174.273 174.273 175.262 -0.989 19087 8647 1 16 . 1 1 110 110 SER CA C 110 59.543 59.543 59.843 -0.300 19087 8648 1 16 . 1 1 110 110 SER CB C 110 63.609 63.609 63.157 0.452 19087 8649 1 16 . 1 1 110 110 SER H H 110 7.757 7.757 7.470 0.287 19087 8650 1 16 . 1 1 111 111 ASP N N 111 117.804 117.804 120.365 -2.561 19087 8651 1 16 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.636 -0.054 19087 8652 1 16 . 1 1 111 111 ASP C C 111 176.760 176.760 175.411 1.349 19087 8653 1 16 . 1 1 111 111 ASP CA C 111 53.976 53.976 55.689 -1.713 19087 8654 1 16 . 1 1 111 111 ASP CB C 111 40.183 40.183 41.512 -1.329 19087 8655 1 16 . 1 1 111 111 ASP H H 111 8.315 8.315 7.866 0.449 19087 8656 1 16 . 1 1 112 112 GLN N N 112 119.300 119.300 116.925 2.375 19087 8657 1 16 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.739 -0.439 19087 8658 1 16 . 1 1 112 112 GLN CA C 112 55.014 55.014 52.324 2.690 19087 8659 1 16 . 1 1 112 112 GLN CB C 112 26.568 26.568 28.770 -2.202 19087 8660 1 16 . 1 1 112 112 GLN H H 112 7.212 7.212 7.379 -0.167 19087 8661 1 16 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.391 0.136 19087 8662 1 16 . 1 1 114 114 PRO C C 114 175.464 175.464 176.505 -1.041 19087 8663 1 16 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.349 0.720 19087 8664 1 16 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.460 -0.013 19087 8665 1 16 . 1 1 115 115 GLY N N 115 113.817 113.817 108.039 5.778 19087 8666 1 16 . 1 1 115 115 GLY C C 115 173.552 173.552 172.962 0.590 19087 8667 1 16 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.944 -0.991 19087 8668 1 16 . 1 1 115 115 GLY H H 115 8.443 8.443 8.006 0.437 19087 8669 1 16 . 1 1 116 116 VAL N N 116 122.049 122.049 121.721 0.328 19087 8670 1 16 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.486 -0.355 19087 8671 1 16 . 1 1 116 116 VAL C C 116 174.533 174.533 175.678 -1.145 19087 8672 1 16 . 1 1 116 116 VAL CA C 116 63.916 63.916 62.946 0.970 19087 8673 1 16 . 1 1 116 116 VAL CB C 116 32.342 32.342 31.911 0.431 19087 8674 1 16 . 1 1 116 116 VAL H H 116 8.957 8.957 8.396 0.561 19087 8675 1 16 . 1 1 117 117 ILE N N 117 126.102 126.102 125.256 0.846 19087 8676 1 16 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.202 -0.263 19087 8677 1 16 . 1 1 117 117 ILE C C 117 174.181 174.181 175.176 -0.995 19087 8678 1 16 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.849 1.220 19087 8679 1 16 . 1 1 117 117 ILE CB C 117 42.368 42.368 38.989 3.379 19087 8680 1 16 . 1 1 117 117 ILE H H 117 7.863 7.863 8.695 -0.832 19087 8681 1 16 . 1 1 118 118 VAL N N 118 127.665 127.665 129.014 -1.349 19087 8682 1 16 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.183 0.741 19087 8683 1 16 . 1 1 118 118 VAL C C 118 175.224 175.224 175.006 0.218 19087 8684 1 16 . 1 1 118 118 VAL CA C 118 60.580 60.580 62.124 -1.544 19087 8685 1 16 . 1 1 118 118 VAL CB C 118 33.945 33.945 31.306 2.639 19087 8686 1 16 . 1 1 118 118 VAL H H 118 9.348 9.348 8.669 0.679 19087 8687 1 16 . 1 1 119 119 VAL N N 119 121.828 121.828 130.245 -8.417 19087 8688 1 16 . 1 1 119 119 VAL HA H 119 5.563 5.563 4.907 0.656 19087 8689 1 16 . 1 1 119 119 VAL C C 119 174.425 174.425 175.218 -0.793 19087 8690 1 16 . 1 1 119 119 VAL CA C 119 58.691 58.691 61.876 -3.185 19087 8691 1 16 . 1 1 119 119 VAL CB C 119 32.886 32.886 32.651 0.235 19087 8692 1 16 . 1 1 119 119 VAL H H 119 9.096 9.096 8.636 0.460 19087 8693 1 16 . 1 1 120 120 VAL N N 120 120.260 120.260 128.404 -8.144 19087 8694 1 16 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.447 0.371 19087 8695 1 16 . 1 1 120 120 VAL C C 120 175.649 175.649 175.009 0.640 19087 8696 1 16 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.207 0.424 19087 8697 1 16 . 1 1 120 120 VAL CB C 120 34.550 34.550 34.541 0.009 19087 8698 1 16 . 1 1 120 120 VAL H H 120 8.809 8.809 8.638 0.171 19087 8699 1 16 . 1 1 121 121 THR N N 121 114.564 114.564 119.579 -5.015 19087 8700 1 16 . 1 1 121 121 THR HA H 121 4.428 4.428 4.531 -0.103 19087 8701 1 16 . 1 1 121 121 THR C C 121 173.833 173.833 173.999 -0.166 19087 8702 1 16 . 1 1 121 121 THR CA C 121 60.834 60.834 60.425 0.409 19087 8703 1 16 . 1 1 121 121 THR CB C 121 69.413 69.413 70.651 -1.238 19087 8704 1 16 . 1 1 121 121 THR H H 121 7.859 7.859 8.628 -0.769 19087 8705 1 17 . 1 1 6 6 SER C C 6 174.665 174.665 173.804 0.861 19087 8706 1 17 . 1 1 6 6 SER CA C 6 58.745 58.745 58.416 0.329 19087 8707 1 17 . 1 1 6 6 SER CB C 6 63.870 63.870 63.588 0.282 19087 8708 1 17 . 1 1 7 7 GLU N N 7 122.278 122.278 120.749 1.529 19087 8709 1 17 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.260 0.468 19087 8710 1 17 . 1 1 7 7 GLU C C 7 176.279 176.279 176.850 -0.571 19087 8711 1 17 . 1 1 7 7 GLU CA C 7 56.894 56.894 57.667 -0.773 19087 8712 1 17 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.975 0.234 19087 8713 1 17 . 1 1 7 7 GLU H H 7 8.475 8.475 8.151 0.324 19087 8714 1 17 . 1 1 8 8 ASP N N 8 120.753 120.753 119.767 0.986 19087 8715 1 17 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.509 0.200 19087 8716 1 17 . 1 1 8 8 ASP C C 8 176.070 176.070 176.041 0.029 19087 8717 1 17 . 1 1 8 8 ASP CA C 8 54.366 54.366 55.066 -0.699 19087 8718 1 17 . 1 1 8 8 ASP CB C 8 41.459 41.459 41.410 0.049 19087 8719 1 17 . 1 1 8 8 ASP H H 8 8.206 8.206 8.356 -0.150 19087 8720 1 17 . 1 1 9 9 ASP N N 9 121.430 121.430 116.975 4.455 19087 8721 1 17 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.403 0.300 19087 8722 1 17 . 1 1 9 9 ASP CA C 9 54.444 54.444 55.429 -0.985 19087 8723 1 17 . 1 1 9 9 ASP CB C 9 41.220 41.220 40.830 0.390 19087 8724 1 17 . 1 1 9 9 ASP H H 9 8.256 8.256 8.366 -0.110 19087 8725 1 17 . 1 1 11 11 SER C C 11 174.517 174.517 174.311 0.206 19087 8726 1 17 . 1 1 11 11 SER CA C 11 59.364 59.364 58.508 0.856 19087 8727 1 17 . 1 1 11 11 SER CB C 11 63.989 63.989 63.946 0.043 19087 8728 1 17 . 1 1 12 12 ALA N N 12 125.500 125.500 128.836 -3.336 19087 8729 1 17 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.651 -0.295 19087 8730 1 17 . 1 1 12 12 ALA C C 12 177.811 177.811 176.195 1.616 19087 8731 1 17 . 1 1 12 12 ALA CA C 12 52.815 52.815 52.039 0.776 19087 8732 1 17 . 1 1 12 12 ALA CB C 12 19.204 19.204 19.620 -0.416 19087 8733 1 17 . 1 1 12 12 ALA H H 12 8.087 8.087 8.304 -0.217 19087 8734 1 17 . 1 1 13 13 ILE N N 13 119.045 119.045 118.906 0.139 19087 8735 1 17 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.573 -0.380 19087 8736 1 17 . 1 1 13 13 ILE CA C 13 61.163 61.163 61.369 -0.206 19087 8737 1 17 . 1 1 13 13 ILE CB C 13 38.721 38.721 39.053 -0.332 19087 8738 1 17 . 1 1 13 13 ILE H H 13 7.938 7.938 8.070 -0.132 19087 8739 1 17 . 1 1 14 14 SER N N 14 119.662 119.662 121.082 -1.420 19087 8740 1 17 . 1 1 14 14 SER H H 14 8.339 8.339 8.512 -0.173 19087 8741 1 17 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.605 -0.319 19087 8742 1 17 . 1 1 21 21 ALA C C 21 177.013 177.013 175.238 1.775 19087 8743 1 17 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.821 -0.236 19087 8744 1 17 . 1 1 21 21 ALA CB C 21 19.339 19.339 20.426 -1.087 19087 8745 1 17 . 1 1 22 22 ALA N N 22 124.579 124.579 124.500 0.079 19087 8746 1 17 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.689 0.036 19087 8747 1 17 . 1 1 22 22 ALA CA C 22 50.310 50.310 50.560 -0.250 19087 8748 1 17 . 1 1 22 22 ALA CB C 22 18.232 18.232 19.541 -1.309 19087 8749 1 17 . 1 1 22 22 ALA H H 22 8.182 8.182 8.214 -0.032 19087 8750 1 17 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.468 -0.333 19087 8751 1 17 . 1 1 28 28 VAL C C 28 175.779 175.779 175.309 0.470 19087 8752 1 17 . 1 1 28 28 VAL CA C 28 62.167 62.167 61.556 0.611 19087 8753 1 17 . 1 1 28 28 VAL CB C 28 32.681 32.681 32.719 -0.038 19087 8754 1 17 . 1 1 29 29 LYS N N 29 126.858 126.858 124.424 2.434 19087 8755 1 17 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.644 0.069 19087 8756 1 17 . 1 1 29 29 LYS CA C 29 54.135 54.135 54.882 -0.747 19087 8757 1 17 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.303 0.343 19087 8758 1 17 . 1 1 29 29 LYS H H 29 8.346 8.346 8.533 -0.187 19087 8759 1 17 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.556 -0.154 19087 8760 1 17 . 1 1 30 30 PRO C C 30 176.435 176.435 175.553 0.882 19087 8761 1 17 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.736 0.040 19087 8762 1 17 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.690 -0.536 19087 8763 1 17 . 1 1 31 31 ALA N N 31 124.680 124.680 124.195 0.485 19087 8764 1 17 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.352 -0.005 19087 8765 1 17 . 1 1 31 31 ALA C C 31 176.860 176.860 177.288 -0.428 19087 8766 1 17 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.619 0.697 19087 8767 1 17 . 1 1 31 31 ALA CB C 31 19.398 19.398 19.724 -0.326 19087 8768 1 17 . 1 1 31 31 ALA H H 31 8.324 8.324 8.079 0.245 19087 8769 1 17 . 1 1 32 32 ALA N N 32 125.011 125.011 124.752 0.259 19087 8770 1 17 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.580 0.156 19087 8771 1 17 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.818 -0.331 19087 8772 1 17 . 1 1 32 32 ALA CB C 32 18.203 18.203 18.240 -0.037 19087 8773 1 17 . 1 1 32 32 ALA H H 32 8.246 8.246 8.180 0.066 19087 8774 1 17 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.446 0.020 19087 8775 1 17 . 1 1 33 33 PRO C C 33 176.834 176.834 176.188 0.646 19087 8776 1 17 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.632 0.193 19087 8777 1 17 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.310 -0.315 19087 8778 1 17 . 1 1 34 34 ARG N N 34 121.170 121.170 119.846 1.324 19087 8779 1 17 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.660 -0.274 19087 8780 1 17 . 1 1 34 34 ARG C C 34 175.853 175.853 175.221 0.632 19087 8781 1 17 . 1 1 34 34 ARG CA C 34 55.912 55.912 54.686 1.226 19087 8782 1 17 . 1 1 34 34 ARG CB C 34 31.672 31.672 32.859 -1.187 19087 8783 1 17 . 1 1 34 34 ARG H H 34 8.349 8.349 8.506 -0.157 19087 8784 1 17 . 1 1 35 35 ALA N N 35 124.878 124.878 125.564 -0.686 19087 8785 1 17 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.686 -0.074 19087 8786 1 17 . 1 1 35 35 ALA C C 35 176.170 176.170 175.864 0.306 19087 8787 1 17 . 1 1 35 35 ALA CA C 35 51.566 51.566 52.258 -0.692 19087 8788 1 17 . 1 1 35 35 ALA CB C 35 20.722 20.722 20.276 0.446 19087 8789 1 17 . 1 1 35 35 ALA H H 35 8.008 8.008 8.487 -0.479 19087 8790 1 17 . 1 1 36 36 GLU N N 36 119.776 119.776 124.560 -4.784 19087 8791 1 17 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.626 -0.195 19087 8792 1 17 . 1 1 36 36 GLU C C 36 174.618 174.618 175.058 -0.440 19087 8793 1 17 . 1 1 36 36 GLU CA C 36 56.472 56.472 55.097 1.375 19087 8794 1 17 . 1 1 36 36 GLU CB C 36 31.124 31.124 29.373 1.751 19087 8795 1 17 . 1 1 36 36 GLU H H 36 8.495 8.495 8.494 0.001 19087 8796 1 17 . 1 1 37 37 VAL N N 37 119.808 119.808 123.379 -3.571 19087 8797 1 17 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.225 0.677 19087 8798 1 17 . 1 1 37 37 VAL C C 37 174.285 174.285 175.425 -1.140 19087 8799 1 17 . 1 1 37 37 VAL CA C 37 60.639 60.639 61.468 -0.828 19087 8800 1 17 . 1 1 37 37 VAL CB C 37 34.612 34.612 32.805 1.807 19087 8801 1 17 . 1 1 37 37 VAL H H 37 8.494 8.494 8.466 0.028 19087 8802 1 17 . 1 1 38 38 ARG N N 38 124.534 124.534 126.596 -2.062 19087 8803 1 17 . 1 1 38 38 ARG HA H 38 4.926 4.926 4.813 0.113 19087 8804 1 17 . 1 1 38 38 ARG C C 38 174.239 174.239 173.642 0.597 19087 8805 1 17 . 1 1 38 38 ARG CA C 38 55.092 55.092 55.322 -0.230 19087 8806 1 17 . 1 1 38 38 ARG CB C 38 34.190 34.190 34.274 -0.084 19087 8807 1 17 . 1 1 38 38 ARG H H 38 8.652 8.652 8.707 -0.055 19087 8808 1 17 . 1 1 39 39 VAL N N 39 121.231 121.231 125.594 -4.363 19087 8809 1 17 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.583 0.215 19087 8810 1 17 . 1 1 39 39 VAL C C 39 173.357 173.357 174.167 -0.810 19087 8811 1 17 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.052 -0.414 19087 8812 1 17 . 1 1 39 39 VAL CB C 39 34.294 34.294 34.347 -0.053 19087 8813 1 17 . 1 1 39 39 VAL H H 39 7.934 7.934 8.286 -0.352 19087 8814 1 17 . 1 1 40 40 TYR N N 40 122.262 122.262 125.365 -3.103 19087 8815 1 17 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.180 -0.026 19087 8816 1 17 . 1 1 40 40 TYR C C 40 175.124 175.124 174.455 0.669 19087 8817 1 17 . 1 1 40 40 TYR CA C 40 55.540 55.540 56.326 -0.786 19087 8818 1 17 . 1 1 40 40 TYR CB C 40 42.223 42.223 40.636 1.587 19087 8819 1 17 . 1 1 40 40 TYR H H 40 9.343 9.343 9.055 0.288 19087 8820 1 17 . 1 1 41 41 ASN N N 41 121.684 121.684 123.470 -1.786 19087 8821 1 17 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.250 -0.218 19087 8822 1 17 . 1 1 41 41 ASN C C 41 176.301 176.301 175.043 1.258 19087 8823 1 17 . 1 1 41 41 ASN CA C 41 52.635 52.635 53.019 -0.384 19087 8824 1 17 . 1 1 41 41 ASN CB C 41 39.836 39.836 40.614 -0.778 19087 8825 1 17 . 1 1 41 41 ASN H H 41 9.287 9.287 8.641 0.646 19087 8826 1 17 . 1 1 42 42 ILE N N 42 119.462 119.462 126.069 -6.607 19087 8827 1 17 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.470 0.980 19087 8828 1 17 . 1 1 42 42 ILE C C 42 176.450 176.450 175.161 1.289 19087 8829 1 17 . 1 1 42 42 ILE CA C 42 60.513 60.513 62.074 -1.561 19087 8830 1 17 . 1 1 42 42 ILE CB C 42 38.597 38.597 39.189 -0.592 19087 8831 1 17 . 1 1 42 42 ILE H H 42 8.541 8.541 8.383 0.158 19087 8832 1 17 . 1 1 43 43 SER N N 43 118.212 118.212 112.627 5.585 19087 8833 1 17 . 1 1 43 43 SER HA H 43 4.729 4.729 4.755 -0.026 19087 8834 1 17 . 1 1 43 43 SER CA C 43 58.598 58.598 57.411 1.187 19087 8835 1 17 . 1 1 43 43 SER CB C 43 66.262 66.262 66.241 0.021 19087 8836 1 17 . 1 1 43 43 SER H H 43 8.142 8.142 7.503 0.639 19087 8837 1 17 . 1 1 44 44 GLY C C 44 174.414 174.414 174.088 0.326 19087 8838 1 17 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.508 -0.128 19087 8839 1 17 . 1 1 45 45 THR N N 45 116.371 116.371 116.228 0.143 19087 8840 1 17 . 1 1 45 45 THR HA H 45 4.384 4.384 4.121 0.263 19087 8841 1 17 . 1 1 45 45 THR CA C 45 61.814 61.814 63.751 -1.937 19087 8842 1 17 . 1 1 45 45 THR CB C 45 69.787 69.787 67.728 2.059 19087 8843 1 17 . 1 1 45 45 THR H H 45 8.298 8.298 8.074 0.224 19087 8844 1 17 . 1 1 47 47 GLY C C 47 175.691 175.691 175.606 0.085 19087 8845 1 17 . 1 1 47 47 GLY CA C 47 46.191 46.191 46.842 -0.651 19087 8846 1 17 . 1 1 48 48 ALA N N 48 121.957 121.957 123.800 -1.843 19087 8847 1 17 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.103 -0.074 19087 8848 1 17 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.229 1.173 19087 8849 1 17 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.309 0.183 19087 8850 1 17 . 1 1 48 48 ALA H H 48 7.511 7.511 8.127 -0.616 19087 8851 1 17 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.914 0.070 19087 8852 1 17 . 1 1 49 49 ALA C C 49 178.073 178.073 178.935 -0.862 19087 8853 1 17 . 1 1 49 49 ALA CA C 49 54.861 54.861 55.029 -0.168 19087 8854 1 17 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.329 0.360 19087 8855 1 17 . 1 1 50 50 ALA N N 50 122.654 122.654 120.127 2.527 19087 8856 1 17 . 1 1 50 50 ALA HA H 50 3.989 3.989 3.962 0.027 19087 8857 1 17 . 1 1 50 50 ALA C C 50 179.642 179.642 179.514 0.128 19087 8858 1 17 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.510 1.341 19087 8859 1 17 . 1 1 50 50 ALA CB C 50 17.788 17.788 17.812 -0.024 19087 8860 1 17 . 1 1 50 50 ALA H H 50 7.965 7.965 7.928 0.037 19087 8861 1 17 . 1 1 51 51 ARG N N 51 116.659 116.659 118.266 -1.607 19087 8862 1 17 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.091 0.100 19087 8863 1 17 . 1 1 51 51 ARG C C 51 179.931 179.931 178.451 1.480 19087 8864 1 17 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.834 0.678 19087 8865 1 17 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.839 0.624 19087 8866 1 17 . 1 1 51 51 ARG H H 51 7.982 7.982 8.232 -0.250 19087 8867 1 17 . 1 1 52 52 THR N N 52 117.745 117.745 112.833 4.912 19087 8868 1 17 . 1 1 52 52 THR HA H 52 4.162 4.162 4.006 0.156 19087 8869 1 17 . 1 1 52 52 THR C C 52 175.626 175.626 176.100 -0.474 19087 8870 1 17 . 1 1 52 52 THR CA C 52 68.565 68.565 66.127 2.438 19087 8871 1 17 . 1 1 52 52 THR CB C 52 70.787 70.787 68.166 2.621 19087 8872 1 17 . 1 1 52 52 THR H H 52 7.661 7.661 7.580 0.081 19087 8873 1 17 . 1 1 53 53 ALA N N 53 123.939 123.939 123.243 0.696 19087 8874 1 17 . 1 1 53 53 ALA HA H 53 3.886 3.886 3.937 -0.051 19087 8875 1 17 . 1 1 53 53 ALA C C 53 179.013 179.013 178.931 0.082 19087 8876 1 17 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.467 1.730 19087 8877 1 17 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.295 0.422 19087 8878 1 17 . 1 1 53 53 ALA H H 53 8.805 8.805 8.100 0.705 19087 8879 1 17 . 1 1 54 54 ASP N N 54 118.351 118.351 118.588 -0.237 19087 8880 1 17 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.353 0.079 19087 8881 1 17 . 1 1 54 54 ASP C C 54 179.376 179.376 178.125 1.251 19087 8882 1 17 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.283 0.724 19087 8883 1 17 . 1 1 54 54 ASP CB C 54 40.242 40.242 40.958 -0.716 19087 8884 1 17 . 1 1 54 54 ASP H H 54 8.327 8.327 7.963 0.364 19087 8885 1 17 . 1 1 55 55 ARG N N 55 121.120 121.120 119.578 1.542 19087 8886 1 17 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.182 -0.007 19087 8887 1 17 . 1 1 55 55 ARG C C 55 179.550 179.550 178.456 1.094 19087 8888 1 17 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.926 0.359 19087 8889 1 17 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.349 -0.030 19087 8890 1 17 . 1 1 55 55 ARG H H 55 7.723 7.723 7.697 0.026 19087 8891 1 17 . 1 1 56 56 LEU N N 56 118.659 118.659 119.635 -0.976 19087 8892 1 17 . 1 1 56 56 LEU HA H 56 4.332 4.332 3.777 0.555 19087 8893 1 17 . 1 1 56 56 LEU C C 56 179.305 179.305 178.332 0.973 19087 8894 1 17 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.890 -0.453 19087 8895 1 17 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.190 0.097 19087 8896 1 17 . 1 1 56 56 LEU H H 56 8.215 8.215 7.945 0.270 19087 8897 1 17 . 1 1 57 57 LYS N N 57 122.713 122.713 119.750 2.963 19087 8898 1 17 . 1 1 57 57 LYS HA H 57 4.513 4.513 4.116 0.397 19087 8899 1 17 . 1 1 57 57 LYS C C 57 181.436 181.436 178.280 3.156 19087 8900 1 17 . 1 1 57 57 LYS CA C 57 60.004 60.004 59.266 0.738 19087 8901 1 17 . 1 1 57 57 LYS CB C 57 32.437 32.437 31.908 0.529 19087 8902 1 17 . 1 1 57 57 LYS H H 57 8.914 8.914 7.976 0.938 19087 8903 1 17 . 1 1 58 58 ALA N N 58 122.423 122.423 121.816 0.607 19087 8904 1 17 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.281 -0.071 19087 8905 1 17 . 1 1 58 58 ALA C C 58 178.516 178.516 179.034 -0.518 19087 8906 1 17 . 1 1 58 58 ALA CA C 58 55.069 55.069 53.787 1.282 19087 8907 1 17 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.020 -0.111 19087 8908 1 17 . 1 1 58 58 ALA H H 58 8.026 8.026 7.642 0.384 19087 8909 1 17 . 1 1 59 59 ALA N N 59 118.347 118.347 119.803 -1.456 19087 8910 1 17 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.339 0.147 19087 8911 1 17 . 1 1 59 59 ALA C C 59 176.797 176.797 178.043 -1.246 19087 8912 1 17 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.499 -0.741 19087 8913 1 17 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.447 -0.078 19087 8914 1 17 . 1 1 59 59 ALA H H 59 7.413 7.413 7.888 -0.475 19087 8915 1 17 . 1 1 60 60 GLY N N 60 104.918 104.918 106.352 -1.434 19087 8916 1 17 . 1 1 60 60 GLY C C 60 174.741 174.741 174.180 0.561 19087 8917 1 17 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.752 0.484 19087 8918 1 17 . 1 1 60 60 GLY H H 60 7.694 7.694 7.698 -0.004 19087 8919 1 17 . 1 1 61 61 PHE N N 61 118.862 118.862 119.194 -0.332 19087 8920 1 17 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.695 -0.200 19087 8921 1 17 . 1 1 61 61 PHE C C 61 175.204 175.204 176.821 -1.617 19087 8922 1 17 . 1 1 61 61 PHE CA C 61 58.483 58.483 57.035 1.448 19087 8923 1 17 . 1 1 61 61 PHE CB C 61 39.163 39.163 39.448 -0.285 19087 8924 1 17 . 1 1 61 61 PHE H H 61 7.879 7.879 8.233 -0.354 19087 8925 1 17 . 1 1 62 62 THR N N 62 121.319 121.319 117.983 3.336 19087 8926 1 17 . 1 1 62 62 THR HA H 62 4.303 4.303 4.194 0.109 19087 8927 1 17 . 1 1 62 62 THR C C 62 173.073 173.073 174.545 -1.472 19087 8928 1 17 . 1 1 62 62 THR CA C 62 69.389 69.389 65.446 3.943 19087 8929 1 17 . 1 1 62 62 THR CB C 62 62.478 62.478 69.384 -6.906 19087 8930 1 17 . 1 1 62 62 THR H H 62 9.493 9.493 8.264 1.229 19087 8931 1 17 . 1 1 63 63 VAL N N 63 128.406 128.406 120.275 8.131 19087 8932 1 17 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.311 0.349 19087 8933 1 17 . 1 1 63 63 VAL C C 63 177.267 177.267 174.423 2.844 19087 8934 1 17 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.795 -1.696 19087 8935 1 17 . 1 1 63 63 VAL CB C 63 32.572 32.572 34.300 -1.728 19087 8936 1 17 . 1 1 63 63 VAL H H 63 8.293 8.293 8.103 0.190 19087 8937 1 17 . 1 1 64 64 THR N N 64 118.495 118.495 116.305 2.190 19087 8938 1 17 . 1 1 64 64 THR HA H 64 4.350 4.350 4.866 -0.516 19087 8939 1 17 . 1 1 64 64 THR CA C 64 62.182 62.182 60.330 1.852 19087 8940 1 17 . 1 1 64 64 THR CB C 64 69.143 69.143 70.502 -1.359 19087 8941 1 17 . 1 1 64 64 THR H H 64 8.770 8.770 8.369 0.401 19087 8942 1 17 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.884 -0.583 19087 8943 1 17 . 1 1 65 65 ASP C C 65 173.778 173.778 174.846 -1.068 19087 8944 1 17 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.632 0.655 19087 8945 1 17 . 1 1 65 65 ASP CB C 65 44.018 44.018 43.577 0.441 19087 8946 1 17 . 1 1 66 66 VAL N N 66 121.705 121.705 120.278 1.427 19087 8947 1 17 . 1 1 66 66 VAL HA H 66 4.863 4.863 4.116 0.747 19087 8948 1 17 . 1 1 66 66 VAL C C 66 176.234 176.234 174.871 1.363 19087 8949 1 17 . 1 1 66 66 VAL CA C 66 60.597 60.597 61.253 -0.656 19087 8950 1 17 . 1 1 66 66 VAL CB C 66 34.120 34.120 33.715 0.405 19087 8951 1 17 . 1 1 66 66 VAL H H 66 7.849 7.849 8.408 -0.559 19087 8952 1 17 . 1 1 67 67 GLY N N 67 112.050 112.050 115.143 -3.093 19087 8953 1 17 . 1 1 67 67 GLY CA C 67 45.618 45.618 44.373 1.245 19087 8954 1 17 . 1 1 67 67 GLY H H 67 8.151 8.151 8.377 -0.226 19087 8955 1 17 . 1 1 68 68 ASN C C 68 173.771 173.771 174.024 -0.253 19087 8956 1 17 . 1 1 68 68 ASN CA C 68 53.062 53.062 51.588 1.474 19087 8957 1 17 . 1 1 68 68 ASN CB C 68 39.832 39.832 38.933 0.899 19087 8958 1 17 . 1 1 69 69 LEU N N 69 121.003 121.003 124.260 -3.257 19087 8959 1 17 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.681 -0.144 19087 8960 1 17 . 1 1 69 69 LEU C C 69 174.751 174.751 174.560 0.191 19087 8961 1 17 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.537 -0.612 19087 8962 1 17 . 1 1 69 69 LEU CB C 69 47.313 47.313 45.809 1.504 19087 8963 1 17 . 1 1 69 69 LEU H H 69 8.276 8.276 8.514 -0.238 19087 8964 1 17 . 1 1 70 70 SER N N 70 116.269 116.269 118.686 -2.417 19087 8965 1 17 . 1 1 70 70 SER C C 70 173.777 173.777 173.971 -0.194 19087 8966 1 17 . 1 1 70 70 SER CA C 70 56.923 56.923 57.667 -0.744 19087 8967 1 17 . 1 1 70 70 SER CB C 70 63.219 63.219 63.076 0.143 19087 8968 1 17 . 1 1 70 70 SER H H 70 8.122 8.122 8.558 -0.436 19087 8969 1 17 . 1 1 71 71 LEU N N 71 127.999 127.999 129.840 -1.841 19087 8970 1 17 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.663 0.093 19087 8971 1 17 . 1 1 71 71 LEU CA C 71 52.165 52.165 52.084 0.081 19087 8972 1 17 . 1 1 71 71 LEU CB C 71 44.179 44.179 42.074 2.105 19087 8973 1 17 . 1 1 71 71 LEU H H 71 8.293 8.293 8.188 0.105 19087 8974 1 17 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.324 0.036 19087 8975 1 17 . 1 1 72 72 PRO C C 72 176.922 176.922 176.604 0.318 19087 8976 1 17 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.481 -0.237 19087 8977 1 17 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.820 0.645 19087 8978 1 17 . 1 1 73 73 ASP N N 73 115.106 115.106 116.362 -1.256 19087 8979 1 17 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.447 0.111 19087 8980 1 17 . 1 1 73 73 ASP C C 73 175.809 175.809 175.810 -0.001 19087 8981 1 17 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.004 1.141 19087 8982 1 17 . 1 1 73 73 ASP CB C 73 40.778 40.778 39.715 1.063 19087 8983 1 17 . 1 1 73 73 ASP H H 73 8.431 8.431 8.494 -0.063 19087 8984 1 17 . 1 1 74 74 VAL N N 74 122.218 122.218 121.855 0.363 19087 8985 1 17 . 1 1 74 74 VAL HA H 74 3.966 3.966 3.897 0.069 19087 8986 1 17 . 1 1 74 74 VAL C C 74 175.339 175.339 175.637 -0.298 19087 8987 1 17 . 1 1 74 74 VAL CA C 74 63.871 63.871 64.278 -0.407 19087 8988 1 17 . 1 1 74 74 VAL CB C 74 32.075 32.075 31.971 0.104 19087 8989 1 17 . 1 1 74 74 VAL H H 74 7.468 7.468 7.358 0.110 19087 8990 1 17 . 1 1 75 75 ALA N N 75 128.630 128.630 130.699 -2.069 19087 8991 1 17 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.541 -0.116 19087 8992 1 17 . 1 1 75 75 ALA C C 75 176.404 176.404 176.016 0.388 19087 8993 1 17 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.241 0.186 19087 8994 1 17 . 1 1 75 75 ALA CB C 75 20.471 20.471 20.399 0.072 19087 8995 1 17 . 1 1 75 75 ALA H H 75 8.581 8.581 8.596 -0.015 19087 8996 1 17 . 1 1 76 76 ALA N N 76 120.481 120.481 121.390 -0.909 19087 8997 1 17 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.616 0.041 19087 8998 1 17 . 1 1 76 76 ALA C C 76 175.925 175.925 175.899 0.026 19087 8999 1 17 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.195 -0.200 19087 9000 1 17 . 1 1 76 76 ALA CB C 76 22.365 22.365 21.139 1.226 19087 9001 1 17 . 1 1 76 76 ALA H H 76 7.438 7.438 7.805 -0.367 19087 9002 1 17 . 1 1 77 77 THR N N 77 121.464 121.464 117.238 4.226 19087 9003 1 17 . 1 1 77 77 THR HA H 77 4.734 4.734 4.358 0.376 19087 9004 1 17 . 1 1 77 77 THR C C 77 174.143 174.143 174.109 0.034 19087 9005 1 17 . 1 1 77 77 THR CA C 77 63.914 63.914 62.847 1.067 19087 9006 1 17 . 1 1 77 77 THR CB C 77 70.070 70.070 68.990 1.080 19087 9007 1 17 . 1 1 77 77 THR H H 77 8.390 8.390 8.387 0.003 19087 9008 1 17 . 1 1 78 78 THR N N 78 123.538 123.538 124.491 -0.953 19087 9009 1 17 . 1 1 78 78 THR HA H 78 4.644 4.644 4.736 -0.092 19087 9010 1 17 . 1 1 78 78 THR C C 78 181.684 181.684 172.617 9.067 19087 9011 1 17 . 1 1 78 78 THR CA C 78 62.511 62.511 61.590 0.921 19087 9012 1 17 . 1 1 78 78 THR CB C 78 72.846 72.846 72.454 0.392 19087 9013 1 17 . 1 1 78 78 THR H H 78 8.355 8.355 8.617 -0.262 19087 9014 1 17 . 1 1 79 79 VAL N N 79 126.455 126.455 126.176 0.279 19087 9015 1 17 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.451 0.145 19087 9016 1 17 . 1 1 79 79 VAL C C 79 173.702 173.702 175.117 -1.415 19087 9017 1 17 . 1 1 79 79 VAL CA C 79 60.385 60.385 61.956 -1.571 19087 9018 1 17 . 1 1 79 79 VAL CB C 79 33.089 33.089 31.289 1.800 19087 9019 1 17 . 1 1 79 79 VAL H H 79 8.685 8.685 8.902 -0.217 19087 9020 1 17 . 1 1 80 80 TYR N N 80 123.574 123.574 127.718 -4.144 19087 9021 1 17 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.451 0.949 19087 9022 1 17 . 1 1 80 80 TYR C C 80 176.410 176.410 176.061 0.349 19087 9023 1 17 . 1 1 80 80 TYR CA C 80 56.608 56.608 56.691 -0.083 19087 9024 1 17 . 1 1 80 80 TYR CB C 80 42.567 42.567 40.375 2.192 19087 9025 1 17 . 1 1 80 80 TYR H H 80 9.702 9.702 9.030 0.672 19087 9026 1 17 . 1 1 81 81 TYR N N 81 117.754 117.754 114.364 3.390 19087 9027 1 17 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.356 0.118 19087 9028 1 17 . 1 1 81 81 TYR C C 81 173.237 173.237 173.521 -0.284 19087 9029 1 17 . 1 1 81 81 TYR CA C 81 55.498 55.498 56.032 -0.534 19087 9030 1 17 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.743 1.506 19087 9031 1 17 . 1 1 81 81 TYR H H 81 8.221 8.221 8.355 -0.134 19087 9032 1 17 . 1 1 82 82 THR N N 82 111.056 111.056 114.205 -3.149 19087 9033 1 17 . 1 1 82 82 THR HA H 82 4.724 4.724 4.642 0.082 19087 9034 1 17 . 1 1 82 82 THR C C 82 174.521 174.521 174.622 -0.101 19087 9035 1 17 . 1 1 82 82 THR CA C 82 60.896 60.896 60.215 0.681 19087 9036 1 17 . 1 1 82 82 THR CB C 82 71.506 71.506 71.371 0.135 19087 9037 1 17 . 1 1 82 82 THR H H 82 8.245 8.245 8.312 -0.067 19087 9038 1 17 . 1 1 83 83 GLU N N 83 117.058 117.058 122.778 -5.720 19087 9039 1 17 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.351 0.126 19087 9040 1 17 . 1 1 83 83 GLU C C 83 176.152 176.152 176.758 -0.606 19087 9041 1 17 . 1 1 83 83 GLU CA C 83 57.179 57.179 57.501 -0.322 19087 9042 1 17 . 1 1 83 83 GLU CB C 83 28.714 28.714 29.627 -0.912 19087 9043 1 17 . 1 1 83 83 GLU H H 83 8.772 8.772 8.887 -0.115 19087 9044 1 17 . 1 1 84 84 VAL N N 84 123.039 123.039 121.715 1.324 19087 9045 1 17 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.871 0.023 19087 9046 1 17 . 1 1 84 84 VAL C C 84 177.170 177.170 175.947 1.223 19087 9047 1 17 . 1 1 84 84 VAL CA C 84 63.678 63.678 63.930 -0.252 19087 9048 1 17 . 1 1 84 84 VAL CB C 84 32.474 32.474 31.489 0.985 19087 9049 1 17 . 1 1 84 84 VAL H H 84 7.818 7.818 7.738 0.080 19087 9050 1 17 . 1 1 85 85 GLU N N 85 129.351 129.351 126.363 2.988 19087 9051 1 17 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.981 -0.089 19087 9052 1 17 . 1 1 85 85 GLU CA C 85 59.005 59.005 57.132 1.873 19087 9053 1 17 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.186 1.337 19087 9054 1 17 . 1 1 85 85 GLU H H 85 8.796 8.796 9.372 -0.576 19087 9055 1 17 . 1 1 86 86 GLY C C 86 176.321 176.321 175.523 0.798 19087 9056 1 17 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.399 0.477 19087 9057 1 17 . 1 1 87 87 GLU N N 87 121.773 121.773 120.778 0.995 19087 9058 1 17 . 1 1 87 87 GLU HA H 87 3.948 3.948 4.186 -0.238 19087 9059 1 17 . 1 1 87 87 GLU C C 87 178.276 178.276 177.429 0.847 19087 9060 1 17 . 1 1 87 87 GLU CA C 87 61.762 61.762 57.943 3.819 19087 9061 1 17 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.830 0.266 19087 9062 1 17 . 1 1 87 87 GLU H H 87 8.133 8.133 8.002 0.131 19087 9063 1 17 . 1 1 88 88 ARG N N 88 121.466 121.466 117.840 3.626 19087 9064 1 17 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.430 -0.068 19087 9065 1 17 . 1 1 88 88 ARG C C 88 177.229 177.229 177.514 -0.285 19087 9066 1 17 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.672 0.821 19087 9067 1 17 . 1 1 88 88 ARG CB C 88 29.059 29.059 29.243 -0.184 19087 9068 1 17 . 1 1 88 88 ARG H H 88 9.132 9.132 7.880 1.252 19087 9069 1 17 . 1 1 89 89 ALA N N 89 119.527 119.527 121.635 -2.108 19087 9070 1 17 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.062 0.121 19087 9071 1 17 . 1 1 89 89 ALA C C 89 181.949 181.949 179.342 2.607 19087 9072 1 17 . 1 1 89 89 ALA CA C 89 55.282 55.282 55.149 0.133 19087 9073 1 17 . 1 1 89 89 ALA CB C 89 18.128 18.128 17.856 0.272 19087 9074 1 17 . 1 1 89 89 ALA H H 89 8.388 8.388 7.671 0.717 19087 9075 1 17 . 1 1 90 90 THR N N 90 115.279 115.279 113.403 1.876 19087 9076 1 17 . 1 1 90 90 THR HA H 90 4.146 4.146 4.152 -0.006 19087 9077 1 17 . 1 1 90 90 THR C C 90 175.118 175.118 176.040 -0.922 19087 9078 1 17 . 1 1 90 90 THR CA C 90 66.607 66.607 64.969 1.639 19087 9079 1 17 . 1 1 90 90 THR CB C 90 68.971 68.971 68.544 0.427 19087 9080 1 17 . 1 1 90 90 THR H H 90 7.640 7.640 7.948 -0.308 19087 9081 1 17 . 1 1 91 91 ALA N N 91 124.784 124.784 123.279 1.505 19087 9082 1 17 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.024 -0.255 19087 9083 1 17 . 1 1 91 91 ALA C C 91 178.546 178.546 178.892 -0.346 19087 9084 1 17 . 1 1 91 91 ALA CA C 91 55.552 55.552 55.047 0.505 19087 9085 1 17 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.300 0.953 19087 9086 1 17 . 1 1 91 91 ALA H H 91 9.095 9.095 7.529 1.566 19087 9087 1 17 . 1 1 92 92 ASP N N 92 118.310 118.310 119.351 -1.041 19087 9088 1 17 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.220 0.197 19087 9089 1 17 . 1 1 92 92 ASP C C 92 179.053 179.053 178.105 0.948 19087 9090 1 17 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.528 0.114 19087 9091 1 17 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.737 -0.308 19087 9092 1 17 . 1 1 92 92 ASP H H 92 8.898 8.898 7.926 0.972 19087 9093 1 17 . 1 1 93 93 ALA N N 93 122.980 122.980 122.515 0.465 19087 9094 1 17 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.102 0.172 19087 9095 1 17 . 1 1 93 93 ALA C C 93 180.933 180.933 179.895 1.038 19087 9096 1 17 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.175 0.400 19087 9097 1 17 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.575 -0.399 19087 9098 1 17 . 1 1 93 93 ALA H H 93 7.424 7.424 7.725 -0.301 19087 9099 1 17 . 1 1 94 94 VAL N N 94 123.968 123.968 117.461 6.507 19087 9100 1 17 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.678 -0.734 19087 9101 1 17 . 1 1 94 94 VAL C C 94 178.269 178.269 178.369 -0.100 19087 9102 1 17 . 1 1 94 94 VAL CA C 94 66.399 66.399 65.686 0.713 19087 9103 1 17 . 1 1 94 94 VAL CB C 94 30.703 30.703 30.883 -0.180 19087 9104 1 17 . 1 1 94 94 VAL H H 94 8.808 8.808 8.089 0.719 19087 9105 1 17 . 1 1 95 95 GLY N N 95 108.282 108.282 107.423 0.859 19087 9106 1 17 . 1 1 95 95 GLY C C 95 176.440 176.440 175.852 0.588 19087 9107 1 17 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.063 0.856 19087 9108 1 17 . 1 1 95 95 GLY H H 95 9.355 9.355 8.367 0.988 19087 9109 1 17 . 1 1 96 96 ARG N N 96 120.852 120.852 118.641 2.211 19087 9110 1 17 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.259 -0.056 19087 9111 1 17 . 1 1 96 96 ARG C C 96 179.101 179.101 178.175 0.926 19087 9112 1 17 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.341 0.869 19087 9113 1 17 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.283 0.251 19087 9114 1 17 . 1 1 96 96 ARG H H 96 8.112 8.112 7.606 0.506 19087 9115 1 17 . 1 1 97 97 THR N N 97 117.170 117.170 114.873 2.297 19087 9116 1 17 . 1 1 97 97 THR HA H 97 3.986 3.986 4.148 -0.162 19087 9117 1 17 . 1 1 97 97 THR C C 97 175.451 175.451 175.566 -0.115 19087 9118 1 17 . 1 1 97 97 THR CA C 97 66.867 66.867 65.236 1.631 19087 9119 1 17 . 1 1 97 97 THR CB C 97 68.205 68.205 69.127 -0.922 19087 9120 1 17 . 1 1 97 97 THR H H 97 7.854 7.854 7.829 0.025 19087 9121 1 17 . 1 1 98 98 LEU N N 98 115.294 115.294 120.970 -5.676 19087 9122 1 17 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.406 -0.101 19087 9123 1 17 . 1 1 98 98 LEU C C 98 177.537 177.537 177.393 0.144 19087 9124 1 17 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.289 -0.706 19087 9125 1 17 . 1 1 98 98 LEU CB C 98 43.373 43.373 43.239 0.134 19087 9126 1 17 . 1 1 98 98 LEU H H 98 7.855 7.855 7.964 -0.109 19087 9127 1 17 . 1 1 99 99 GLY N N 99 111.931 111.931 105.244 6.687 19087 9128 1 17 . 1 1 99 99 GLY C C 99 173.997 173.997 173.951 0.046 19087 9129 1 17 . 1 1 99 99 GLY CA C 99 46.993 46.993 44.813 2.180 19087 9130 1 17 . 1 1 99 99 GLY H H 99 8.101 8.101 7.793 0.308 19087 9131 1 17 . 1 1 100 100 ALA N N 100 121.739 121.739 121.539 0.200 19087 9132 1 17 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.530 0.207 19087 9133 1 17 . 1 1 100 100 ALA C C 100 175.351 175.351 175.684 -0.333 19087 9134 1 17 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.688 -0.282 19087 9135 1 17 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.312 2.647 19087 9136 1 17 . 1 1 100 100 ALA H H 100 8.033 8.033 7.658 0.375 19087 9137 1 17 . 1 1 101 101 ALA N N 101 122.895 122.895 120.804 2.091 19087 9138 1 17 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.475 -0.266 19087 9139 1 17 . 1 1 101 101 ALA C C 101 175.179 175.179 176.245 -1.066 19087 9140 1 17 . 1 1 101 101 ALA CA C 101 52.737 52.737 51.411 1.326 19087 9141 1 17 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.610 0.204 19087 9142 1 17 . 1 1 101 101 ALA H H 101 7.782 7.782 8.433 -0.651 19087 9143 1 17 . 1 1 102 102 VAL N N 102 120.035 120.035 116.182 3.853 19087 9144 1 17 . 1 1 102 102 VAL HA H 102 5.054 5.054 5.376 -0.322 19087 9145 1 17 . 1 1 102 102 VAL C C 102 176.587 176.587 175.337 1.250 19087 9146 1 17 . 1 1 102 102 VAL CA C 102 60.988 60.988 60.497 0.491 19087 9147 1 17 . 1 1 102 102 VAL CB C 102 33.725 33.725 34.056 -0.331 19087 9148 1 17 . 1 1 102 102 VAL H H 102 7.872 7.872 8.158 -0.286 19087 9149 1 17 . 1 1 103 103 GLU N N 103 126.469 126.469 126.441 0.028 19087 9150 1 17 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.698 0.181 19087 9151 1 17 . 1 1 103 103 GLU C C 103 174.343 174.343 175.606 -1.263 19087 9152 1 17 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.160 0.191 19087 9153 1 17 . 1 1 103 103 GLU CB C 103 35.595 35.595 32.754 2.841 19087 9154 1 17 . 1 1 103 103 GLU H H 103 9.215 9.215 8.287 0.928 19087 9155 1 17 . 1 1 104 104 LEU N N 104 123.109 123.109 118.643 4.466 19087 9156 1 17 . 1 1 104 104 LEU HA H 104 3.591 3.591 3.646 -0.055 19087 9157 1 17 . 1 1 104 104 LEU C C 104 178.379 178.379 177.288 1.091 19087 9158 1 17 . 1 1 104 104 LEU CA C 104 54.920 54.920 54.614 0.306 19087 9159 1 17 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.088 0.822 19087 9160 1 17 . 1 1 104 104 LEU H H 104 8.273 8.273 8.270 0.003 19087 9161 1 17 . 1 1 105 105 ARG N N 105 119.790 119.790 118.409 1.381 19087 9162 1 17 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.210 0.051 19087 9163 1 17 . 1 1 105 105 ARG C C 105 177.043 177.043 175.694 1.349 19087 9164 1 17 . 1 1 105 105 ARG CA C 105 59.310 59.310 55.444 3.866 19087 9165 1 17 . 1 1 105 105 ARG CB C 105 32.077 32.077 28.303 3.774 19087 9166 1 17 . 1 1 105 105 ARG H H 105 8.300 8.300 8.265 0.035 19087 9167 1 17 . 1 1 106 106 LEU N N 106 122.431 122.431 118.319 4.112 19087 9168 1 17 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.307 0.091 19087 9169 1 17 . 1 1 106 106 LEU CA C 106 54.701 54.701 53.952 0.749 19087 9170 1 17 . 1 1 106 106 LEU CB C 106 42.469 42.469 40.164 2.305 19087 9171 1 17 . 1 1 106 106 LEU H H 106 8.026 8.026 7.421 0.605 19087 9172 1 17 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.079 0.160 19087 9173 1 17 . 1 1 107 107 PRO C C 107 179.627 179.627 178.926 0.701 19087 9174 1 17 . 1 1 107 107 PRO CA C 107 65.898 65.898 65.637 0.261 19087 9175 1 17 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.580 -0.061 19087 9176 1 17 . 1 1 108 108 GLU N N 108 116.744 116.744 117.898 -1.154 19087 9177 1 17 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.088 0.010 19087 9178 1 17 . 1 1 108 108 GLU C C 108 176.957 176.957 178.589 -1.632 19087 9179 1 17 . 1 1 108 108 GLU CA C 108 59.584 59.584 58.501 1.083 19087 9180 1 17 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.858 0.299 19087 9181 1 17 . 1 1 108 108 GLU H H 108 9.605 9.605 8.606 0.999 19087 9182 1 17 . 1 1 109 109 LEU N N 109 116.575 116.575 118.268 -1.693 19087 9183 1 17 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.092 0.438 19087 9184 1 17 . 1 1 109 109 LEU C C 109 177.894 177.894 177.770 0.124 19087 9185 1 17 . 1 1 109 109 LEU CA C 109 53.489 53.489 55.984 -2.495 19087 9186 1 17 . 1 1 109 109 LEU CB C 109 42.241 42.241 40.397 1.844 19087 9187 1 17 . 1 1 109 109 LEU H H 109 7.630 7.630 8.134 -0.504 19087 9188 1 17 . 1 1 110 110 SER N N 110 117.031 117.031 114.374 2.657 19087 9189 1 17 . 1 1 110 110 SER HA H 110 3.943 3.943 4.247 -0.304 19087 9190 1 17 . 1 1 110 110 SER C C 110 174.273 174.273 175.778 -1.505 19087 9191 1 17 . 1 1 110 110 SER CA C 110 59.543 59.543 60.778 -1.234 19087 9192 1 17 . 1 1 110 110 SER CB C 110 63.609 63.609 63.413 0.196 19087 9193 1 17 . 1 1 110 110 SER H H 110 7.757 7.757 7.628 0.129 19087 9194 1 17 . 1 1 111 111 ASP N N 111 117.804 117.804 120.597 -2.793 19087 9195 1 17 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.613 -0.031 19087 9196 1 17 . 1 1 111 111 ASP C C 111 176.760 176.760 176.852 -0.092 19087 9197 1 17 . 1 1 111 111 ASP CA C 111 53.976 53.976 56.078 -2.102 19087 9198 1 17 . 1 1 111 111 ASP CB C 111 40.183 40.183 41.268 -1.085 19087 9199 1 17 . 1 1 111 111 ASP H H 111 8.315 8.315 7.720 0.595 19087 9200 1 17 . 1 1 112 112 GLN N N 112 119.300 119.300 119.280 0.020 19087 9201 1 17 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.562 -0.262 19087 9202 1 17 . 1 1 112 112 GLN CA C 112 55.014 55.014 53.671 1.343 19087 9203 1 17 . 1 1 112 112 GLN CB C 112 26.568 26.568 28.703 -2.135 19087 9204 1 17 . 1 1 112 112 GLN H H 112 7.212 7.212 7.615 -0.403 19087 9205 1 17 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.369 0.158 19087 9206 1 17 . 1 1 114 114 PRO C C 114 175.464 175.464 177.019 -1.555 19087 9207 1 17 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.203 0.867 19087 9208 1 17 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.250 0.197 19087 9209 1 17 . 1 1 115 115 GLY N N 115 113.817 113.817 108.855 4.962 19087 9210 1 17 . 1 1 115 115 GLY C C 115 173.552 173.552 173.194 0.358 19087 9211 1 17 . 1 1 115 115 GLY CA C 115 43.953 43.953 45.266 -1.313 19087 9212 1 17 . 1 1 115 115 GLY H H 115 8.443 8.443 7.871 0.572 19087 9213 1 17 . 1 1 116 116 VAL N N 116 122.049 122.049 122.690 -0.641 19087 9214 1 17 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.537 -0.406 19087 9215 1 17 . 1 1 116 116 VAL C C 116 174.533 174.533 175.592 -1.059 19087 9216 1 17 . 1 1 116 116 VAL CA C 116 63.916 63.916 63.746 0.170 19087 9217 1 17 . 1 1 116 116 VAL CB C 116 32.342 32.342 31.662 0.680 19087 9218 1 17 . 1 1 116 116 VAL H H 116 8.957 8.957 7.937 1.020 19087 9219 1 17 . 1 1 117 117 ILE N N 117 126.102 126.102 124.137 1.965 19087 9220 1 17 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.260 -0.321 19087 9221 1 17 . 1 1 117 117 ILE C C 117 174.181 174.181 174.895 -0.714 19087 9222 1 17 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.956 1.113 19087 9223 1 17 . 1 1 117 117 ILE CB C 117 42.368 42.368 39.916 2.452 19087 9224 1 17 . 1 1 117 117 ILE H H 117 7.863 7.863 8.644 -0.781 19087 9225 1 17 . 1 1 118 118 VAL N N 118 127.665 127.665 128.709 -1.044 19087 9226 1 17 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.392 0.532 19087 9227 1 17 . 1 1 118 118 VAL C C 118 175.224 175.224 174.239 0.985 19087 9228 1 17 . 1 1 118 118 VAL CA C 118 60.580 60.580 61.013 -0.433 19087 9229 1 17 . 1 1 118 118 VAL CB C 118 33.945 33.945 32.583 1.363 19087 9230 1 17 . 1 1 118 118 VAL H H 118 9.348 9.348 8.742 0.607 19087 9231 1 17 . 1 1 119 119 VAL N N 119 121.828 121.828 131.308 -9.480 19087 9232 1 17 . 1 1 119 119 VAL HA H 119 5.563 5.563 4.974 0.589 19087 9233 1 17 . 1 1 119 119 VAL C C 119 174.425 174.425 175.120 -0.695 19087 9234 1 17 . 1 1 119 119 VAL CA C 119 58.691 58.691 61.713 -3.022 19087 9235 1 17 . 1 1 119 119 VAL CB C 119 32.886 32.886 32.772 0.115 19087 9236 1 17 . 1 1 119 119 VAL H H 119 9.096 9.096 8.762 0.334 19087 9237 1 17 . 1 1 120 120 VAL N N 120 120.260 120.260 127.906 -7.646 19087 9238 1 17 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.530 0.288 19087 9239 1 17 . 1 1 120 120 VAL C C 120 175.649 175.649 175.400 0.249 19087 9240 1 17 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.669 -0.038 19087 9241 1 17 . 1 1 120 120 VAL CB C 120 34.550 34.550 33.997 0.553 19087 9242 1 17 . 1 1 120 120 VAL H H 120 8.809 8.809 8.794 0.015 19087 9243 1 17 . 1 1 121 121 THR N N 121 114.564 114.564 118.341 -3.777 19087 9244 1 17 . 1 1 121 121 THR HA H 121 4.428 4.428 4.521 -0.093 19087 9245 1 17 . 1 1 121 121 THR C C 121 173.833 173.833 174.798 -0.965 19087 9246 1 17 . 1 1 121 121 THR CA C 121 60.834 60.834 60.143 0.691 19087 9247 1 17 . 1 1 121 121 THR CB C 121 69.413 69.413 69.464 -0.051 19087 9248 1 17 . 1 1 121 121 THR H H 121 7.859 7.859 8.572 -0.713 19087 9249 1 18 . 1 1 6 6 SER C C 6 174.665 174.665 173.848 0.817 19087 9250 1 18 . 1 1 6 6 SER CA C 6 58.745 58.745 58.487 0.258 19087 9251 1 18 . 1 1 6 6 SER CB C 6 63.870 63.870 63.794 0.076 19087 9252 1 18 . 1 1 7 7 GLU N N 7 122.278 122.278 120.649 1.629 19087 9253 1 18 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.301 0.427 19087 9254 1 18 . 1 1 7 7 GLU C C 7 176.279 176.279 176.352 -0.073 19087 9255 1 18 . 1 1 7 7 GLU CA C 7 56.894 56.894 57.138 -0.244 19087 9256 1 18 . 1 1 7 7 GLU CB C 7 30.209 30.209 30.310 -0.101 19087 9257 1 18 . 1 1 7 7 GLU H H 7 8.475 8.475 8.529 -0.054 19087 9258 1 18 . 1 1 8 8 ASP N N 8 120.753 120.753 118.329 2.424 19087 9259 1 18 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.666 0.043 19087 9260 1 18 . 1 1 8 8 ASP C C 8 176.070 176.070 176.676 -0.606 19087 9261 1 18 . 1 1 8 8 ASP CA C 8 54.366 54.366 54.826 -0.460 19087 9262 1 18 . 1 1 8 8 ASP CB C 8 41.459 41.459 41.510 -0.051 19087 9263 1 18 . 1 1 8 8 ASP H H 8 8.206 8.206 7.963 0.243 19087 9264 1 18 . 1 1 9 9 ASP N N 9 121.430 121.430 118.720 2.710 19087 9265 1 18 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.302 0.401 19087 9266 1 18 . 1 1 9 9 ASP CA C 9 54.444 54.444 56.181 -1.737 19087 9267 1 18 . 1 1 9 9 ASP CB C 9 41.220 41.220 40.170 1.050 19087 9268 1 18 . 1 1 9 9 ASP H H 9 8.256 8.256 8.511 -0.255 19087 9269 1 18 . 1 1 11 11 SER C C 11 174.517 174.517 172.987 1.530 19087 9270 1 18 . 1 1 11 11 SER CA C 11 59.364 59.364 59.290 0.074 19087 9271 1 18 . 1 1 11 11 SER CB C 11 63.989 63.989 63.668 0.321 19087 9272 1 18 . 1 1 12 12 ALA N N 12 125.500 125.500 128.674 -3.174 19087 9273 1 18 . 1 1 12 12 ALA HA H 12 4.356 4.356 5.114 -0.758 19087 9274 1 18 . 1 1 12 12 ALA C C 12 177.811 177.811 175.513 2.298 19087 9275 1 18 . 1 1 12 12 ALA CA C 12 52.815 52.815 51.658 1.157 19087 9276 1 18 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.118 -0.914 19087 9277 1 18 . 1 1 12 12 ALA H H 12 8.087 8.087 8.684 -0.597 19087 9278 1 18 . 1 1 13 13 ILE N N 13 119.045 119.045 122.717 -3.672 19087 9279 1 18 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.727 -0.534 19087 9280 1 18 . 1 1 13 13 ILE CA C 13 61.163 61.163 61.010 0.153 19087 9281 1 18 . 1 1 13 13 ILE CB C 13 38.721 38.721 40.265 -1.544 19087 9282 1 18 . 1 1 13 13 ILE H H 13 7.938 7.938 8.974 -1.036 19087 9283 1 18 . 1 1 14 14 SER N N 14 119.662 119.662 123.812 -4.150 19087 9284 1 18 . 1 1 14 14 SER H H 14 8.339 8.339 8.499 -0.160 19087 9285 1 18 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.526 -0.240 19087 9286 1 18 . 1 1 21 21 ALA C C 21 177.013 177.013 175.556 1.457 19087 9287 1 18 . 1 1 21 21 ALA CA C 21 51.585 51.585 52.144 -0.559 19087 9288 1 18 . 1 1 21 21 ALA CB C 21 19.339 19.339 20.143 -0.804 19087 9289 1 18 . 1 1 22 22 ALA N N 22 124.579 124.579 125.244 -0.665 19087 9290 1 18 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.597 0.128 19087 9291 1 18 . 1 1 22 22 ALA CA C 22 50.310 50.310 51.267 -0.957 19087 9292 1 18 . 1 1 22 22 ALA CB C 22 18.232 18.232 19.587 -1.355 19087 9293 1 18 . 1 1 22 22 ALA H H 22 8.182 8.182 8.337 -0.155 19087 9294 1 18 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.221 -0.086 19087 9295 1 18 . 1 1 28 28 VAL C C 28 175.779 175.779 175.329 0.450 19087 9296 1 18 . 1 1 28 28 VAL CA C 28 62.167 62.167 62.367 -0.200 19087 9297 1 18 . 1 1 28 28 VAL CB C 28 32.681 32.681 32.770 -0.089 19087 9298 1 18 . 1 1 29 29 LYS N N 29 126.858 126.858 129.463 -2.605 19087 9299 1 18 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.659 0.053 19087 9300 1 18 . 1 1 29 29 LYS CA C 29 54.135 54.135 53.804 0.331 19087 9301 1 18 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.548 0.098 19087 9302 1 18 . 1 1 29 29 LYS H H 29 8.346 8.346 8.406 -0.060 19087 9303 1 18 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.470 -0.068 19087 9304 1 18 . 1 1 30 30 PRO C C 30 176.435 176.435 175.926 0.509 19087 9305 1 18 . 1 1 30 30 PRO CA C 30 62.776 62.776 63.189 -0.413 19087 9306 1 18 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.499 -0.345 19087 9307 1 18 . 1 1 31 31 ALA N N 31 124.680 124.680 125.451 -0.771 19087 9308 1 18 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.497 -0.150 19087 9309 1 18 . 1 1 31 31 ALA C C 31 176.860 176.860 175.718 1.142 19087 9310 1 18 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.962 0.354 19087 9311 1 18 . 1 1 31 31 ALA CB C 31 19.398 19.398 20.161 -0.763 19087 9312 1 18 . 1 1 31 31 ALA H H 31 8.324 8.324 8.322 0.002 19087 9313 1 18 . 1 1 32 32 ALA N N 32 125.011 125.011 125.293 -0.282 19087 9314 1 18 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.632 0.104 19087 9315 1 18 . 1 1 32 32 ALA CA C 32 50.487 50.487 51.574 -1.087 19087 9316 1 18 . 1 1 32 32 ALA CB C 32 18.203 18.203 19.499 -1.296 19087 9317 1 18 . 1 1 32 32 ALA H H 32 8.246 8.246 8.303 -0.057 19087 9318 1 18 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.597 -0.131 19087 9319 1 18 . 1 1 33 33 PRO C C 33 176.834 176.834 175.920 0.914 19087 9320 1 18 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.975 -0.150 19087 9321 1 18 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.184 -0.189 19087 9322 1 18 . 1 1 34 34 ARG N N 34 121.170 121.170 120.493 0.677 19087 9323 1 18 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.520 -0.134 19087 9324 1 18 . 1 1 34 34 ARG C C 34 175.853 175.853 175.750 0.103 19087 9325 1 18 . 1 1 34 34 ARG CA C 34 55.912 55.912 56.125 -0.213 19087 9326 1 18 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.889 -0.217 19087 9327 1 18 . 1 1 34 34 ARG H H 34 8.349 8.349 8.271 0.078 19087 9328 1 18 . 1 1 35 35 ALA N N 35 124.878 124.878 124.743 0.135 19087 9329 1 18 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.657 -0.045 19087 9330 1 18 . 1 1 35 35 ALA C C 35 176.170 176.170 175.748 0.422 19087 9331 1 18 . 1 1 35 35 ALA CA C 35 51.566 51.566 50.853 0.713 19087 9332 1 18 . 1 1 35 35 ALA CB C 35 20.722 20.722 20.208 0.514 19087 9333 1 18 . 1 1 35 35 ALA H H 35 8.008 8.008 7.769 0.239 19087 9334 1 18 . 1 1 36 36 GLU N N 36 119.776 119.776 126.078 -6.302 19087 9335 1 18 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.452 -0.021 19087 9336 1 18 . 1 1 36 36 GLU C C 36 174.618 174.618 175.212 -0.594 19087 9337 1 18 . 1 1 36 36 GLU CA C 36 56.472 56.472 55.644 0.828 19087 9338 1 18 . 1 1 36 36 GLU CB C 36 31.124 31.124 29.215 1.909 19087 9339 1 18 . 1 1 36 36 GLU H H 36 8.495 8.495 8.849 -0.354 19087 9340 1 18 . 1 1 37 37 VAL N N 37 119.808 119.808 125.068 -5.260 19087 9341 1 18 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.691 0.211 19087 9342 1 18 . 1 1 37 37 VAL C C 37 174.285 174.285 175.463 -1.178 19087 9343 1 18 . 1 1 37 37 VAL CA C 37 60.639 60.639 61.880 -1.241 19087 9344 1 18 . 1 1 37 37 VAL CB C 37 34.612 34.612 32.852 1.760 19087 9345 1 18 . 1 1 37 37 VAL H H 37 8.494 8.494 8.566 -0.072 19087 9346 1 18 . 1 1 38 38 ARG N N 38 124.534 124.534 124.132 0.402 19087 9347 1 18 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.171 -0.245 19087 9348 1 18 . 1 1 38 38 ARG C C 38 174.239 174.239 174.182 0.057 19087 9349 1 18 . 1 1 38 38 ARG CA C 38 55.092 55.092 54.932 0.160 19087 9350 1 18 . 1 1 38 38 ARG CB C 38 34.190 34.190 33.689 0.501 19087 9351 1 18 . 1 1 38 38 ARG H H 38 8.652 8.652 9.145 -0.493 19087 9352 1 18 . 1 1 39 39 VAL N N 39 121.231 121.231 124.025 -2.794 19087 9353 1 18 . 1 1 39 39 VAL HA H 39 4.798 4.798 5.177 -0.379 19087 9354 1 18 . 1 1 39 39 VAL C C 39 173.357 173.357 174.705 -1.348 19087 9355 1 18 . 1 1 39 39 VAL CA C 39 60.638 60.638 60.774 -0.136 19087 9356 1 18 . 1 1 39 39 VAL CB C 39 34.294 34.294 33.806 0.488 19087 9357 1 18 . 1 1 39 39 VAL H H 39 7.934 7.934 8.909 -0.975 19087 9358 1 18 . 1 1 40 40 TYR N N 40 122.262 122.262 125.408 -3.146 19087 9359 1 18 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.465 -0.311 19087 9360 1 18 . 1 1 40 40 TYR C C 40 175.124 175.124 173.578 1.546 19087 9361 1 18 . 1 1 40 40 TYR CA C 40 55.540 55.540 54.389 1.151 19087 9362 1 18 . 1 1 40 40 TYR CB C 40 42.223 42.223 41.073 1.150 19087 9363 1 18 . 1 1 40 40 TYR H H 40 9.343 9.343 8.968 0.375 19087 9364 1 18 . 1 1 41 41 ASN N N 41 121.684 121.684 121.113 0.571 19087 9365 1 18 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.088 -0.056 19087 9366 1 18 . 1 1 41 41 ASN C C 41 176.301 176.301 175.531 0.770 19087 9367 1 18 . 1 1 41 41 ASN CA C 41 52.635 52.635 53.611 -0.976 19087 9368 1 18 . 1 1 41 41 ASN CB C 41 39.836 39.836 39.925 -0.089 19087 9369 1 18 . 1 1 41 41 ASN H H 41 9.287 9.287 8.564 0.723 19087 9370 1 18 . 1 1 42 42 ILE N N 42 119.462 119.462 121.380 -1.918 19087 9371 1 18 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.431 1.019 19087 9372 1 18 . 1 1 42 42 ILE C C 42 176.450 176.450 176.116 0.334 19087 9373 1 18 . 1 1 42 42 ILE CA C 42 60.513 60.513 61.865 -1.352 19087 9374 1 18 . 1 1 42 42 ILE CB C 42 38.597 38.597 38.606 -0.009 19087 9375 1 18 . 1 1 42 42 ILE H H 42 8.541 8.541 8.157 0.384 19087 9376 1 18 . 1 1 43 43 SER N N 43 118.212 118.212 114.883 3.329 19087 9377 1 18 . 1 1 43 43 SER HA H 43 4.729 4.729 4.558 0.171 19087 9378 1 18 . 1 1 43 43 SER CA C 43 58.598 58.598 58.650 -0.052 19087 9379 1 18 . 1 1 43 43 SER CB C 43 66.262 66.262 65.061 1.202 19087 9380 1 18 . 1 1 43 43 SER H H 43 8.142 8.142 8.235 -0.093 19087 9381 1 18 . 1 1 44 44 GLY C C 44 174.414 174.414 174.127 0.287 19087 9382 1 18 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.364 0.016 19087 9383 1 18 . 1 1 45 45 THR N N 45 116.371 116.371 115.236 1.135 19087 9384 1 18 . 1 1 45 45 THR HA H 45 4.384 4.384 4.308 0.076 19087 9385 1 18 . 1 1 45 45 THR CA C 45 61.814 61.814 62.784 -0.970 19087 9386 1 18 . 1 1 45 45 THR CB C 45 69.787 69.787 70.930 -1.143 19087 9387 1 18 . 1 1 45 45 THR H H 45 8.298 8.298 8.142 0.156 19087 9388 1 18 . 1 1 47 47 GLY C C 47 175.691 175.691 175.032 0.659 19087 9389 1 18 . 1 1 47 47 GLY CA C 47 46.191 46.191 46.206 -0.015 19087 9390 1 18 . 1 1 48 48 ALA N N 48 121.957 121.957 124.371 -2.414 19087 9391 1 18 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.133 -0.104 19087 9392 1 18 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.363 1.039 19087 9393 1 18 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.485 0.007 19087 9394 1 18 . 1 1 48 48 ALA H H 48 7.511 7.511 8.065 -0.554 19087 9395 1 18 . 1 1 49 49 ALA HA H 49 3.984 3.984 4.005 -0.021 19087 9396 1 18 . 1 1 49 49 ALA C C 49 178.073 178.073 179.507 -1.434 19087 9397 1 18 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.930 -0.069 19087 9398 1 18 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.232 0.457 19087 9399 1 18 . 1 1 50 50 ALA N N 50 122.654 122.654 119.655 2.999 19087 9400 1 18 . 1 1 50 50 ALA HA H 50 3.989 3.989 3.978 0.011 19087 9401 1 18 . 1 1 50 50 ALA C C 50 179.642 179.642 179.220 0.422 19087 9402 1 18 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.486 1.365 19087 9403 1 18 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.177 -0.389 19087 9404 1 18 . 1 1 50 50 ALA H H 50 7.965 7.965 7.948 0.017 19087 9405 1 18 . 1 1 51 51 ARG N N 51 116.659 116.659 119.248 -2.589 19087 9406 1 18 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.114 0.077 19087 9407 1 18 . 1 1 51 51 ARG C C 51 179.931 179.931 178.470 1.461 19087 9408 1 18 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.793 0.719 19087 9409 1 18 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.941 0.522 19087 9410 1 18 . 1 1 51 51 ARG H H 51 7.982 7.982 7.944 0.038 19087 9411 1 18 . 1 1 52 52 THR N N 52 117.745 117.745 112.352 5.393 19087 9412 1 18 . 1 1 52 52 THR HA H 52 4.162 4.162 4.044 0.118 19087 9413 1 18 . 1 1 52 52 THR C C 52 175.626 175.626 176.351 -0.725 19087 9414 1 18 . 1 1 52 52 THR CA C 52 68.565 68.565 65.959 2.607 19087 9415 1 18 . 1 1 52 52 THR CB C 52 70.787 70.787 68.487 2.300 19087 9416 1 18 . 1 1 52 52 THR H H 52 7.661 7.661 7.677 -0.016 19087 9417 1 18 . 1 1 53 53 ALA N N 53 123.939 123.939 123.339 0.600 19087 9418 1 18 . 1 1 53 53 ALA HA H 53 3.886 3.886 3.951 -0.065 19087 9419 1 18 . 1 1 53 53 ALA C C 53 179.013 179.013 178.960 0.053 19087 9420 1 18 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.446 1.751 19087 9421 1 18 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.419 0.298 19087 9422 1 18 . 1 1 53 53 ALA H H 53 8.805 8.805 7.943 0.862 19087 9423 1 18 . 1 1 54 54 ASP N N 54 118.351 118.351 119.029 -0.678 19087 9424 1 18 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.367 0.065 19087 9425 1 18 . 1 1 54 54 ASP C C 54 179.376 179.376 178.218 1.158 19087 9426 1 18 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.411 0.596 19087 9427 1 18 . 1 1 54 54 ASP CB C 54 40.242 40.242 41.123 -0.881 19087 9428 1 18 . 1 1 54 54 ASP H H 54 8.327 8.327 7.956 0.371 19087 9429 1 18 . 1 1 55 55 ARG N N 55 121.120 121.120 119.524 1.596 19087 9430 1 18 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.255 -0.080 19087 9431 1 18 . 1 1 55 55 ARG C C 55 179.550 179.550 178.826 0.724 19087 9432 1 18 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.068 1.217 19087 9433 1 18 . 1 1 55 55 ARG CB C 55 30.320 30.320 29.846 0.474 19087 9434 1 18 . 1 1 55 55 ARG H H 55 7.723 7.723 7.781 -0.058 19087 9435 1 18 . 1 1 56 56 LEU N N 56 118.659 118.659 120.920 -2.261 19087 9436 1 18 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.245 0.087 19087 9437 1 18 . 1 1 56 56 LEU C C 56 179.305 179.305 178.566 0.739 19087 9438 1 18 . 1 1 56 56 LEU CA C 56 57.437 57.437 58.005 -0.568 19087 9439 1 18 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.340 -0.053 19087 9440 1 18 . 1 1 56 56 LEU H H 56 8.215 8.215 8.109 0.106 19087 9441 1 18 . 1 1 57 57 LYS N N 57 122.713 122.713 120.453 2.260 19087 9442 1 18 . 1 1 57 57 LYS HA H 57 4.513 4.513 4.043 0.470 19087 9443 1 18 . 1 1 57 57 LYS C C 57 181.436 181.436 178.547 2.889 19087 9444 1 18 . 1 1 57 57 LYS CA C 57 60.004 60.004 59.074 0.930 19087 9445 1 18 . 1 1 57 57 LYS CB C 57 32.437 32.437 32.060 0.377 19087 9446 1 18 . 1 1 57 57 LYS H H 57 8.914 8.914 7.920 0.994 19087 9447 1 18 . 1 1 58 58 ALA N N 58 122.423 122.423 120.246 2.177 19087 9448 1 18 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.234 -0.024 19087 9449 1 18 . 1 1 58 58 ALA C C 58 178.516 178.516 179.410 -0.894 19087 9450 1 18 . 1 1 58 58 ALA CA C 58 55.069 55.069 54.316 0.752 19087 9451 1 18 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.322 -0.413 19087 9452 1 18 . 1 1 58 58 ALA H H 58 8.026 8.026 7.491 0.535 19087 9453 1 18 . 1 1 59 59 ALA N N 59 118.347 118.347 119.701 -1.354 19087 9454 1 18 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.314 0.172 19087 9455 1 18 . 1 1 59 59 ALA C C 59 176.797 176.797 177.844 -1.047 19087 9456 1 18 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.304 -0.546 19087 9457 1 18 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.566 -0.197 19087 9458 1 18 . 1 1 59 59 ALA H H 59 7.413 7.413 7.827 -0.414 19087 9459 1 18 . 1 1 60 60 GLY N N 60 104.918 104.918 106.772 -1.854 19087 9460 1 18 . 1 1 60 60 GLY C C 60 174.741 174.741 174.235 0.506 19087 9461 1 18 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.723 0.513 19087 9462 1 18 . 1 1 60 60 GLY H H 60 7.694 7.694 7.647 0.047 19087 9463 1 18 . 1 1 61 61 PHE N N 61 118.862 118.862 119.538 -0.676 19087 9464 1 18 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.641 -0.146 19087 9465 1 18 . 1 1 61 61 PHE C C 61 175.204 175.204 176.935 -1.731 19087 9466 1 18 . 1 1 61 61 PHE CA C 61 58.483 58.483 58.398 0.085 19087 9467 1 18 . 1 1 61 61 PHE CB C 61 39.163 39.163 39.492 -0.329 19087 9468 1 18 . 1 1 61 61 PHE H H 61 7.879 7.879 7.997 -0.117 19087 9469 1 18 . 1 1 62 62 THR N N 62 121.319 121.319 117.116 4.203 19087 9470 1 18 . 1 1 62 62 THR HA H 62 4.303 4.303 4.191 0.112 19087 9471 1 18 . 1 1 62 62 THR C C 62 173.073 173.073 174.740 -1.667 19087 9472 1 18 . 1 1 62 62 THR CA C 62 69.389 69.389 65.400 3.989 19087 9473 1 18 . 1 1 62 62 THR CB C 62 62.478 62.478 69.269 -6.791 19087 9474 1 18 . 1 1 62 62 THR H H 62 9.493 9.493 8.721 0.772 19087 9475 1 18 . 1 1 63 63 VAL N N 63 128.406 128.406 120.112 8.294 19087 9476 1 18 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.322 0.338 19087 9477 1 18 . 1 1 63 63 VAL C C 63 177.267 177.267 174.531 2.736 19087 9478 1 18 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.951 -1.852 19087 9479 1 18 . 1 1 63 63 VAL CB C 63 32.572 32.572 33.953 -1.381 19087 9480 1 18 . 1 1 63 63 VAL H H 63 8.293 8.293 7.576 0.717 19087 9481 1 18 . 1 1 64 64 THR N N 64 118.495 118.495 116.755 1.740 19087 9482 1 18 . 1 1 64 64 THR HA H 64 4.350 4.350 4.783 -0.433 19087 9483 1 18 . 1 1 64 64 THR CA C 64 62.182 62.182 60.354 1.828 19087 9484 1 18 . 1 1 64 64 THR CB C 64 69.143 69.143 69.765 -0.622 19087 9485 1 18 . 1 1 64 64 THR H H 64 8.770 8.770 8.464 0.306 19087 9486 1 18 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.963 -0.662 19087 9487 1 18 . 1 1 65 65 ASP C C 65 173.778 173.778 174.664 -0.886 19087 9488 1 18 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.475 0.812 19087 9489 1 18 . 1 1 65 65 ASP CB C 65 44.018 44.018 43.819 0.199 19087 9490 1 18 . 1 1 66 66 VAL N N 66 121.705 121.705 119.766 1.939 19087 9491 1 18 . 1 1 66 66 VAL HA H 66 4.863 4.863 5.415 -0.552 19087 9492 1 18 . 1 1 66 66 VAL C C 66 176.234 176.234 175.278 0.956 19087 9493 1 18 . 1 1 66 66 VAL CA C 66 60.597 60.597 59.446 1.151 19087 9494 1 18 . 1 1 66 66 VAL CB C 66 34.120 34.120 34.765 -0.645 19087 9495 1 18 . 1 1 66 66 VAL H H 66 7.849 7.849 8.342 -0.493 19087 9496 1 18 . 1 1 67 67 GLY N N 67 112.050 112.050 112.692 -0.642 19087 9497 1 18 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.377 0.241 19087 9498 1 18 . 1 1 67 67 GLY H H 67 8.151 8.151 8.656 -0.505 19087 9499 1 18 . 1 1 68 68 ASN C C 68 173.771 173.771 173.843 -0.072 19087 9500 1 18 . 1 1 68 68 ASN CA C 68 53.062 53.062 53.007 0.055 19087 9501 1 18 . 1 1 68 68 ASN CB C 68 39.832 39.832 41.345 -1.513 19087 9502 1 18 . 1 1 69 69 LEU N N 69 121.003 121.003 123.535 -2.532 19087 9503 1 18 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.737 -0.200 19087 9504 1 18 . 1 1 69 69 LEU C C 69 174.751 174.751 175.669 -0.918 19087 9505 1 18 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.380 -0.455 19087 9506 1 18 . 1 1 69 69 LEU CB C 69 47.313 47.313 46.376 0.937 19087 9507 1 18 . 1 1 69 69 LEU H H 69 8.276 8.276 8.894 -0.618 19087 9508 1 18 . 1 1 70 70 SER N N 70 116.269 116.269 118.040 -1.771 19087 9509 1 18 . 1 1 70 70 SER C C 70 173.777 173.777 173.903 -0.126 19087 9510 1 18 . 1 1 70 70 SER CA C 70 56.923 56.923 58.133 -1.210 19087 9511 1 18 . 1 1 70 70 SER CB C 70 63.219 63.219 63.050 0.169 19087 9512 1 18 . 1 1 70 70 SER H H 70 8.122 8.122 8.484 -0.362 19087 9513 1 18 . 1 1 71 71 LEU N N 71 127.999 127.999 130.130 -2.131 19087 9514 1 18 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.843 -0.087 19087 9515 1 18 . 1 1 71 71 LEU CA C 71 52.165 52.165 51.480 0.685 19087 9516 1 18 . 1 1 71 71 LEU CB C 71 44.179 44.179 42.731 1.448 19087 9517 1 18 . 1 1 71 71 LEU H H 71 8.293 8.293 8.092 0.201 19087 9518 1 18 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.418 -0.058 19087 9519 1 18 . 1 1 72 72 PRO C C 72 176.922 176.922 177.085 -0.163 19087 9520 1 18 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.174 0.070 19087 9521 1 18 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.805 0.661 19087 9522 1 18 . 1 1 73 73 ASP N N 73 115.106 115.106 117.693 -2.587 19087 9523 1 18 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.490 0.068 19087 9524 1 18 . 1 1 73 73 ASP C C 73 175.809 175.809 175.397 0.412 19087 9525 1 18 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.615 0.530 19087 9526 1 18 . 1 1 73 73 ASP CB C 73 40.778 40.778 40.657 0.121 19087 9527 1 18 . 1 1 73 73 ASP H H 73 8.431 8.431 8.668 -0.237 19087 9528 1 18 . 1 1 74 74 VAL N N 74 122.218 122.218 120.023 2.195 19087 9529 1 18 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.287 -0.321 19087 9530 1 18 . 1 1 74 74 VAL C C 74 175.339 175.339 174.522 0.817 19087 9531 1 18 . 1 1 74 74 VAL CA C 74 63.871 63.871 61.615 2.256 19087 9532 1 18 . 1 1 74 74 VAL CB C 74 32.075 32.075 34.543 -2.468 19087 9533 1 18 . 1 1 74 74 VAL H H 74 7.468 7.468 7.393 0.075 19087 9534 1 18 . 1 1 75 75 ALA N N 75 128.630 128.630 126.996 1.634 19087 9535 1 18 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.500 -0.075 19087 9536 1 18 . 1 1 75 75 ALA C C 75 176.404 176.404 176.238 0.166 19087 9537 1 18 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.191 0.236 19087 9538 1 18 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.484 0.987 19087 9539 1 18 . 1 1 75 75 ALA H H 75 8.581 8.581 8.452 0.129 19087 9540 1 18 . 1 1 76 76 ALA N N 76 120.481 120.481 122.556 -2.075 19087 9541 1 18 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.640 0.017 19087 9542 1 18 . 1 1 76 76 ALA C C 76 175.925 175.925 175.582 0.343 19087 9543 1 18 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.333 -0.338 19087 9544 1 18 . 1 1 76 76 ALA CB C 76 22.365 22.365 20.823 1.542 19087 9545 1 18 . 1 1 76 76 ALA H H 76 7.438 7.438 7.596 -0.158 19087 9546 1 18 . 1 1 77 77 THR N N 77 121.464 121.464 117.414 4.050 19087 9547 1 18 . 1 1 77 77 THR HA H 77 4.734 4.734 4.413 0.321 19087 9548 1 18 . 1 1 77 77 THR C C 77 174.143 174.143 173.714 0.429 19087 9549 1 18 . 1 1 77 77 THR CA C 77 63.914 63.914 62.617 1.297 19087 9550 1 18 . 1 1 77 77 THR CB C 77 70.070 70.070 68.069 2.002 19087 9551 1 18 . 1 1 77 77 THR H H 77 8.390 8.390 8.302 0.088 19087 9552 1 18 . 1 1 78 78 THR N N 78 123.538 123.538 124.045 -0.507 19087 9553 1 18 . 1 1 78 78 THR HA H 78 4.644 4.644 4.743 -0.099 19087 9554 1 18 . 1 1 78 78 THR C C 78 181.684 181.684 172.937 8.747 19087 9555 1 18 . 1 1 78 78 THR CA C 78 62.511 62.511 61.898 0.613 19087 9556 1 18 . 1 1 78 78 THR CB C 78 72.846 72.846 72.825 0.021 19087 9557 1 18 . 1 1 78 78 THR H H 78 8.355 8.355 8.337 0.018 19087 9558 1 18 . 1 1 79 79 VAL N N 79 126.455 126.455 125.699 0.756 19087 9559 1 18 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.432 0.164 19087 9560 1 18 . 1 1 79 79 VAL C C 79 173.702 173.702 174.792 -1.090 19087 9561 1 18 . 1 1 79 79 VAL CA C 79 60.385 60.385 62.133 -1.748 19087 9562 1 18 . 1 1 79 79 VAL CB C 79 33.089 33.089 31.861 1.228 19087 9563 1 18 . 1 1 79 79 VAL H H 79 8.685 8.685 8.842 -0.157 19087 9564 1 18 . 1 1 80 80 TYR N N 80 123.574 123.574 128.384 -4.810 19087 9565 1 18 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.275 1.125 19087 9566 1 18 . 1 1 80 80 TYR C C 80 176.410 176.410 175.436 0.974 19087 9567 1 18 . 1 1 80 80 TYR CA C 80 56.608 56.608 56.426 0.182 19087 9568 1 18 . 1 1 80 80 TYR CB C 80 42.567 42.567 39.763 2.804 19087 9569 1 18 . 1 1 80 80 TYR H H 80 9.702 9.702 9.026 0.676 19087 9570 1 18 . 1 1 81 81 TYR N N 81 117.754 117.754 118.273 -0.519 19087 9571 1 18 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.585 -0.111 19087 9572 1 18 . 1 1 81 81 TYR C C 81 173.237 173.237 174.424 -1.187 19087 9573 1 18 . 1 1 81 81 TYR CA C 81 55.498 55.498 54.970 0.528 19087 9574 1 18 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.929 1.320 19087 9575 1 18 . 1 1 81 81 TYR H H 81 8.221 8.221 8.075 0.146 19087 9576 1 18 . 1 1 82 82 THR N N 82 111.056 111.056 113.597 -2.541 19087 9577 1 18 . 1 1 82 82 THR HA H 82 4.724 4.724 4.629 0.095 19087 9578 1 18 . 1 1 82 82 THR C C 82 174.521 174.521 174.709 -0.188 19087 9579 1 18 . 1 1 82 82 THR CA C 82 60.896 60.896 59.238 1.658 19087 9580 1 18 . 1 1 82 82 THR CB C 82 71.506 71.506 70.703 0.803 19087 9581 1 18 . 1 1 82 82 THR H H 82 8.245 8.245 8.357 -0.112 19087 9582 1 18 . 1 1 83 83 GLU N N 83 117.058 117.058 124.460 -7.402 19087 9583 1 18 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.501 -0.024 19087 9584 1 18 . 1 1 83 83 GLU C C 83 176.152 176.152 176.511 -0.359 19087 9585 1 18 . 1 1 83 83 GLU CA C 83 57.179 57.179 55.560 1.619 19087 9586 1 18 . 1 1 83 83 GLU CB C 83 28.714 28.714 29.829 -1.115 19087 9587 1 18 . 1 1 83 83 GLU H H 83 8.772 8.772 8.701 0.071 19087 9588 1 18 . 1 1 84 84 VAL N N 84 123.039 123.039 121.376 1.663 19087 9589 1 18 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.931 -0.037 19087 9590 1 18 . 1 1 84 84 VAL C C 84 177.170 177.170 176.569 0.601 19087 9591 1 18 . 1 1 84 84 VAL CA C 84 63.678 63.678 63.437 0.241 19087 9592 1 18 . 1 1 84 84 VAL CB C 84 32.474 32.474 32.180 0.294 19087 9593 1 18 . 1 1 84 84 VAL H H 84 7.818 7.818 7.249 0.569 19087 9594 1 18 . 1 1 85 85 GLU N N 85 129.351 129.351 124.745 4.606 19087 9595 1 18 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.945 -0.053 19087 9596 1 18 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.402 0.603 19087 9597 1 18 . 1 1 85 85 GLU CB C 85 29.523 29.523 29.144 0.379 19087 9598 1 18 . 1 1 85 85 GLU H H 85 8.796 8.796 8.911 -0.115 19087 9599 1 18 . 1 1 86 86 GLY C C 86 176.321 176.321 174.213 2.108 19087 9600 1 18 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.281 0.595 19087 9601 1 18 . 1 1 87 87 GLU N N 87 121.773 121.773 121.954 -0.181 19087 9602 1 18 . 1 1 87 87 GLU HA H 87 3.948 3.948 4.315 -0.367 19087 9603 1 18 . 1 1 87 87 GLU C C 87 178.276 178.276 177.889 0.387 19087 9604 1 18 . 1 1 87 87 GLU CA C 87 61.762 61.762 58.385 3.377 19087 9605 1 18 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.790 0.306 19087 9606 1 18 . 1 1 87 87 GLU H H 87 8.133 8.133 7.983 0.150 19087 9607 1 18 . 1 1 88 88 ARG N N 88 121.466 121.466 120.519 0.947 19087 9608 1 18 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.619 -0.257 19087 9609 1 18 . 1 1 88 88 ARG C C 88 177.229 177.229 177.474 -0.245 19087 9610 1 18 . 1 1 88 88 ARG CA C 88 59.493 59.493 59.206 0.287 19087 9611 1 18 . 1 1 88 88 ARG CB C 88 29.059 29.059 29.531 -0.472 19087 9612 1 18 . 1 1 88 88 ARG H H 88 9.132 9.132 7.906 1.226 19087 9613 1 18 . 1 1 89 89 ALA N N 89 119.527 119.527 119.340 0.187 19087 9614 1 18 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.032 0.151 19087 9615 1 18 . 1 1 89 89 ALA C C 89 181.949 181.949 179.188 2.761 19087 9616 1 18 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.750 0.532 19087 9617 1 18 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.091 0.037 19087 9618 1 18 . 1 1 89 89 ALA H H 89 8.388 8.388 8.228 0.160 19087 9619 1 18 . 1 1 90 90 THR N N 90 115.279 115.279 113.068 2.211 19087 9620 1 18 . 1 1 90 90 THR HA H 90 4.146 4.146 3.935 0.211 19087 9621 1 18 . 1 1 90 90 THR C C 90 175.118 175.118 175.821 -0.703 19087 9622 1 18 . 1 1 90 90 THR CA C 90 66.607 66.607 64.171 2.436 19087 9623 1 18 . 1 1 90 90 THR CB C 90 68.971 68.971 68.164 0.807 19087 9624 1 18 . 1 1 90 90 THR H H 90 7.640 7.640 7.613 0.027 19087 9625 1 18 . 1 1 91 91 ALA N N 91 124.784 124.784 123.333 1.451 19087 9626 1 18 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.052 -0.283 19087 9627 1 18 . 1 1 91 91 ALA C C 91 178.546 178.546 178.747 -0.201 19087 9628 1 18 . 1 1 91 91 ALA CA C 91 55.552 55.552 54.804 0.748 19087 9629 1 18 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.453 0.799 19087 9630 1 18 . 1 1 91 91 ALA H H 91 9.095 9.095 7.440 1.655 19087 9631 1 18 . 1 1 92 92 ASP N N 92 118.310 118.310 119.454 -1.144 19087 9632 1 18 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.270 0.147 19087 9633 1 18 . 1 1 92 92 ASP C C 92 179.053 179.053 178.045 1.008 19087 9634 1 18 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.139 0.503 19087 9635 1 18 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.794 -0.365 19087 9636 1 18 . 1 1 92 92 ASP H H 92 8.898 8.898 8.035 0.863 19087 9637 1 18 . 1 1 93 93 ALA N N 93 122.980 122.980 122.089 0.891 19087 9638 1 18 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.019 0.255 19087 9639 1 18 . 1 1 93 93 ALA C C 93 180.933 180.933 179.758 1.175 19087 9640 1 18 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.133 0.442 19087 9641 1 18 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.525 -0.349 19087 9642 1 18 . 1 1 93 93 ALA H H 93 7.424 7.424 7.501 -0.077 19087 9643 1 18 . 1 1 94 94 VAL N N 94 123.968 123.968 117.656 6.312 19087 9644 1 18 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.723 -0.779 19087 9645 1 18 . 1 1 94 94 VAL C C 94 178.269 178.269 178.147 0.122 19087 9646 1 18 . 1 1 94 94 VAL CA C 94 66.399 66.399 66.362 0.037 19087 9647 1 18 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.439 -0.736 19087 9648 1 18 . 1 1 94 94 VAL H H 94 8.808 8.808 7.406 1.402 19087 9649 1 18 . 1 1 95 95 GLY N N 95 108.282 108.282 107.587 0.695 19087 9650 1 18 . 1 1 95 95 GLY C C 95 176.440 176.440 175.494 0.946 19087 9651 1 18 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.321 0.598 19087 9652 1 18 . 1 1 95 95 GLY H H 95 9.355 9.355 8.201 1.154 19087 9653 1 18 . 1 1 96 96 ARG N N 96 120.852 120.852 119.092 1.760 19087 9654 1 18 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.242 -0.039 19087 9655 1 18 . 1 1 96 96 ARG C C 96 179.101 179.101 178.140 0.961 19087 9656 1 18 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.140 1.070 19087 9657 1 18 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.492 0.042 19087 9658 1 18 . 1 1 96 96 ARG H H 96 8.112 8.112 7.577 0.535 19087 9659 1 18 . 1 1 97 97 THR N N 97 117.170 117.170 115.685 1.485 19087 9660 1 18 . 1 1 97 97 THR HA H 97 3.986 3.986 4.104 -0.118 19087 9661 1 18 . 1 1 97 97 THR C C 97 175.451 175.451 175.895 -0.444 19087 9662 1 18 . 1 1 97 97 THR CA C 97 66.867 66.867 65.476 1.391 19087 9663 1 18 . 1 1 97 97 THR CB C 97 68.205 68.205 68.940 -0.735 19087 9664 1 18 . 1 1 97 97 THR H H 97 7.854 7.854 7.611 0.243 19087 9665 1 18 . 1 1 98 98 LEU N N 98 115.294 115.294 120.526 -5.232 19087 9666 1 18 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.408 -0.103 19087 9667 1 18 . 1 1 98 98 LEU C C 98 177.537 177.537 177.347 0.190 19087 9668 1 18 . 1 1 98 98 LEU CA C 98 54.583 54.583 54.914 -0.331 19087 9669 1 18 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.946 0.427 19087 9670 1 18 . 1 1 98 98 LEU H H 98 7.855 7.855 8.189 -0.334 19087 9671 1 18 . 1 1 99 99 GLY N N 99 111.931 111.931 106.796 5.135 19087 9672 1 18 . 1 1 99 99 GLY C C 99 173.997 173.997 174.170 -0.173 19087 9673 1 18 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.196 1.797 19087 9674 1 18 . 1 1 99 99 GLY H H 99 8.101 8.101 7.756 0.345 19087 9675 1 18 . 1 1 100 100 ALA N N 100 121.739 121.739 122.009 -0.270 19087 9676 1 18 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.409 0.328 19087 9677 1 18 . 1 1 100 100 ALA C C 100 175.351 175.351 176.202 -0.851 19087 9678 1 18 . 1 1 100 100 ALA CA C 100 50.406 50.406 51.246 -0.840 19087 9679 1 18 . 1 1 100 100 ALA CB C 100 23.959 23.959 20.442 3.517 19087 9680 1 18 . 1 1 100 100 ALA H H 100 8.033 8.033 7.341 0.692 19087 9681 1 18 . 1 1 101 101 ALA N N 101 122.895 122.895 121.218 1.677 19087 9682 1 18 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.482 -0.273 19087 9683 1 18 . 1 1 101 101 ALA C C 101 175.179 175.179 175.959 -0.780 19087 9684 1 18 . 1 1 101 101 ALA CA C 101 52.737 52.737 51.516 1.221 19087 9685 1 18 . 1 1 101 101 ALA CB C 101 19.814 19.814 20.100 -0.286 19087 9686 1 18 . 1 1 101 101 ALA H H 101 7.782 7.782 7.842 -0.060 19087 9687 1 18 . 1 1 102 102 VAL N N 102 120.035 120.035 116.156 3.879 19087 9688 1 18 . 1 1 102 102 VAL HA H 102 5.054 5.054 5.016 0.038 19087 9689 1 18 . 1 1 102 102 VAL C C 102 176.587 176.587 175.124 1.463 19087 9690 1 18 . 1 1 102 102 VAL CA C 102 60.988 60.988 59.993 0.995 19087 9691 1 18 . 1 1 102 102 VAL CB C 102 33.725 33.725 34.533 -0.808 19087 9692 1 18 . 1 1 102 102 VAL H H 102 7.872 7.872 8.164 -0.292 19087 9693 1 18 . 1 1 103 103 GLU N N 103 126.469 126.469 125.603 0.866 19087 9694 1 18 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.490 0.389 19087 9695 1 18 . 1 1 103 103 GLU C C 103 174.343 174.343 174.182 0.161 19087 9696 1 18 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.217 0.134 19087 9697 1 18 . 1 1 103 103 GLU CB C 103 35.595 35.595 33.454 2.141 19087 9698 1 18 . 1 1 103 103 GLU H H 103 9.215 9.215 8.429 0.786 19087 9699 1 18 . 1 1 104 104 LEU N N 104 123.109 123.109 119.641 3.468 19087 9700 1 18 . 1 1 104 104 LEU HA H 104 3.591 3.591 3.834 -0.243 19087 9701 1 18 . 1 1 104 104 LEU C C 104 178.379 178.379 178.479 -0.100 19087 9702 1 18 . 1 1 104 104 LEU CA C 104 54.920 54.920 54.228 0.692 19087 9703 1 18 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.430 0.480 19087 9704 1 18 . 1 1 104 104 LEU H H 104 8.273 8.273 8.321 -0.048 19087 9705 1 18 . 1 1 105 105 ARG N N 105 119.790 119.790 120.901 -1.111 19087 9706 1 18 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.221 0.040 19087 9707 1 18 . 1 1 105 105 ARG C C 105 177.043 177.043 175.736 1.307 19087 9708 1 18 . 1 1 105 105 ARG CA C 105 59.310 59.310 55.662 3.648 19087 9709 1 18 . 1 1 105 105 ARG CB C 105 32.077 32.077 28.447 3.630 19087 9710 1 18 . 1 1 105 105 ARG H H 105 8.300 8.300 8.501 -0.201 19087 9711 1 18 . 1 1 106 106 LEU N N 106 122.431 122.431 120.827 1.604 19087 9712 1 18 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.193 0.205 19087 9713 1 18 . 1 1 106 106 LEU CA C 106 54.701 54.701 54.485 0.216 19087 9714 1 18 . 1 1 106 106 LEU CB C 106 42.469 42.469 41.142 1.327 19087 9715 1 18 . 1 1 106 106 LEU H H 106 8.026 8.026 7.528 0.498 19087 9716 1 18 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.134 0.105 19087 9717 1 18 . 1 1 107 107 PRO C C 107 179.627 179.627 178.018 1.609 19087 9718 1 18 . 1 1 107 107 PRO CA C 107 65.898 65.898 65.339 0.559 19087 9719 1 18 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.675 -0.156 19087 9720 1 18 . 1 1 108 108 GLU N N 108 116.744 116.744 117.517 -0.773 19087 9721 1 18 . 1 1 108 108 GLU HA H 108 4.098 4.098 3.978 0.120 19087 9722 1 18 . 1 1 108 108 GLU C C 108 176.957 176.957 178.387 -1.430 19087 9723 1 18 . 1 1 108 108 GLU CA C 108 59.584 59.584 59.133 0.451 19087 9724 1 18 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.678 0.479 19087 9725 1 18 . 1 1 108 108 GLU H H 108 9.605 9.605 8.563 1.042 19087 9726 1 18 . 1 1 109 109 LEU N N 109 116.575 116.575 117.355 -0.780 19087 9727 1 18 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.132 0.398 19087 9728 1 18 . 1 1 109 109 LEU C C 109 177.894 177.894 177.351 0.543 19087 9729 1 18 . 1 1 109 109 LEU CA C 109 53.489 53.489 55.679 -2.191 19087 9730 1 18 . 1 1 109 109 LEU CB C 109 42.241 42.241 40.824 1.417 19087 9731 1 18 . 1 1 109 109 LEU H H 109 7.630 7.630 8.026 -0.396 19087 9732 1 18 . 1 1 110 110 SER N N 110 117.031 117.031 114.468 2.563 19087 9733 1 18 . 1 1 110 110 SER HA H 110 3.943 3.943 4.281 -0.338 19087 9734 1 18 . 1 1 110 110 SER C C 110 174.273 174.273 175.323 -1.050 19087 9735 1 18 . 1 1 110 110 SER CA C 110 59.543 59.543 60.526 -0.983 19087 9736 1 18 . 1 1 110 110 SER CB C 110 63.609 63.609 63.835 -0.226 19087 9737 1 18 . 1 1 110 110 SER H H 110 7.757 7.757 7.588 0.169 19087 9738 1 18 . 1 1 111 111 ASP N N 111 117.804 117.804 121.693 -3.889 19087 9739 1 18 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.637 -0.055 19087 9740 1 18 . 1 1 111 111 ASP C C 111 176.760 176.760 176.667 0.093 19087 9741 1 18 . 1 1 111 111 ASP CA C 111 53.976 53.976 55.208 -1.232 19087 9742 1 18 . 1 1 111 111 ASP CB C 111 40.183 40.183 41.969 -1.786 19087 9743 1 18 . 1 1 111 111 ASP H H 111 8.315 8.315 7.771 0.544 19087 9744 1 18 . 1 1 112 112 GLN N N 112 119.300 119.300 118.768 0.532 19087 9745 1 18 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.515 -0.215 19087 9746 1 18 . 1 1 112 112 GLN CA C 112 55.014 55.014 53.635 1.379 19087 9747 1 18 . 1 1 112 112 GLN CB C 112 26.568 26.568 29.020 -2.452 19087 9748 1 18 . 1 1 112 112 GLN H H 112 7.212 7.212 7.666 -0.454 19087 9749 1 18 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.382 0.145 19087 9750 1 18 . 1 1 114 114 PRO C C 114 175.464 175.464 177.251 -1.787 19087 9751 1 18 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.506 0.563 19087 9752 1 18 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.105 0.342 19087 9753 1 18 . 1 1 115 115 GLY N N 115 113.817 113.817 110.957 2.860 19087 9754 1 18 . 1 1 115 115 GLY C C 115 173.552 173.552 172.789 0.763 19087 9755 1 18 . 1 1 115 115 GLY CA C 115 43.953 43.953 45.669 -1.716 19087 9756 1 18 . 1 1 115 115 GLY H H 115 8.443 8.443 8.146 0.297 19087 9757 1 18 . 1 1 116 116 VAL N N 116 122.049 122.049 122.099 -0.050 19087 9758 1 18 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.779 -0.648 19087 9759 1 18 . 1 1 116 116 VAL C C 116 174.533 174.533 174.293 0.240 19087 9760 1 18 . 1 1 116 116 VAL CA C 116 63.916 63.916 61.653 2.263 19087 9761 1 18 . 1 1 116 116 VAL CB C 116 32.342 32.342 33.614 -1.272 19087 9762 1 18 . 1 1 116 116 VAL H H 116 8.957 8.957 8.280 0.677 19087 9763 1 18 . 1 1 117 117 ILE N N 117 126.102 126.102 129.383 -3.281 19087 9764 1 18 . 1 1 117 117 ILE HA H 117 4.939 4.939 4.911 0.028 19087 9765 1 18 . 1 1 117 117 ILE C C 117 174.181 174.181 175.387 -1.206 19087 9766 1 18 . 1 1 117 117 ILE CA C 117 60.069 60.069 59.468 0.602 19087 9767 1 18 . 1 1 117 117 ILE CB C 117 42.368 42.368 38.728 3.640 19087 9768 1 18 . 1 1 117 117 ILE H H 117 7.863 7.863 9.013 -1.150 19087 9769 1 18 . 1 1 118 118 VAL N N 118 127.665 127.665 129.721 -2.056 19087 9770 1 18 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.142 0.782 19087 9771 1 18 . 1 1 118 118 VAL C C 118 175.224 175.224 174.789 0.435 19087 9772 1 18 . 1 1 118 118 VAL CA C 118 60.580 60.580 61.588 -1.008 19087 9773 1 18 . 1 1 118 118 VAL CB C 118 33.945 33.945 30.944 3.001 19087 9774 1 18 . 1 1 118 118 VAL H H 118 9.348 9.348 8.986 0.362 19087 9775 1 18 . 1 1 119 119 VAL N N 119 121.828 121.828 129.547 -7.719 19087 9776 1 18 . 1 1 119 119 VAL HA H 119 5.563 5.563 4.229 1.334 19087 9777 1 18 . 1 1 119 119 VAL C C 119 174.425 174.425 175.475 -1.050 19087 9778 1 18 . 1 1 119 119 VAL CA C 119 58.691 58.691 61.480 -2.788 19087 9779 1 18 . 1 1 119 119 VAL CB C 119 32.886 32.886 32.554 0.332 19087 9780 1 18 . 1 1 119 119 VAL H H 119 9.096 9.096 8.682 0.414 19087 9781 1 18 . 1 1 120 120 VAL N N 120 120.260 120.260 127.740 -7.480 19087 9782 1 18 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.355 0.463 19087 9783 1 18 . 1 1 120 120 VAL C C 120 175.649 175.649 175.231 0.418 19087 9784 1 18 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.099 0.532 19087 9785 1 18 . 1 1 120 120 VAL CB C 120 34.550 34.550 34.227 0.323 19087 9786 1 18 . 1 1 120 120 VAL H H 120 8.809 8.809 8.216 0.593 19087 9787 1 18 . 1 1 121 121 THR N N 121 114.564 114.564 120.701 -6.137 19087 9788 1 18 . 1 1 121 121 THR HA H 121 4.428 4.428 4.175 0.253 19087 9789 1 18 . 1 1 121 121 THR C C 121 173.833 173.833 174.703 -0.870 19087 9790 1 18 . 1 1 121 121 THR CA C 121 60.834 60.834 62.926 -2.092 19087 9791 1 18 . 1 1 121 121 THR CB C 121 69.413 69.413 69.227 0.186 19087 9792 1 18 . 1 1 121 121 THR H H 121 7.859 7.859 8.421 -0.562 19087 9793 1 19 . 1 1 6 6 SER C C 6 174.665 174.665 174.985 -0.320 19087 9794 1 19 . 1 1 6 6 SER CA C 6 58.745 58.745 58.399 0.346 19087 9795 1 19 . 1 1 6 6 SER CB C 6 63.870 63.870 63.934 -0.064 19087 9796 1 19 . 1 1 7 7 GLU N N 7 122.278 122.278 120.864 1.414 19087 9797 1 19 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.140 0.588 19087 9798 1 19 . 1 1 7 7 GLU C C 7 176.279 176.279 176.694 -0.415 19087 9799 1 19 . 1 1 7 7 GLU CA C 7 56.894 56.894 58.321 -1.427 19087 9800 1 19 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.664 0.545 19087 9801 1 19 . 1 1 7 7 GLU H H 7 8.475 8.475 8.671 -0.196 19087 9802 1 19 . 1 1 8 8 ASP N N 8 120.753 120.753 116.465 4.288 19087 9803 1 19 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.682 0.027 19087 9804 1 19 . 1 1 8 8 ASP C C 8 176.070 176.070 175.960 0.110 19087 9805 1 19 . 1 1 8 8 ASP CA C 8 54.366 54.366 54.207 0.159 19087 9806 1 19 . 1 1 8 8 ASP CB C 8 41.459 41.459 42.308 -0.849 19087 9807 1 19 . 1 1 8 8 ASP H H 8 8.206 8.206 8.108 0.098 19087 9808 1 19 . 1 1 9 9 ASP N N 9 121.430 121.430 117.760 3.670 19087 9809 1 19 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.662 0.041 19087 9810 1 19 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.368 0.076 19087 9811 1 19 . 1 1 9 9 ASP CB C 9 41.220 41.220 42.568 -1.348 19087 9812 1 19 . 1 1 9 9 ASP H H 9 8.256 8.256 7.992 0.264 19087 9813 1 19 . 1 1 11 11 SER C C 11 174.517 174.517 173.766 0.751 19087 9814 1 19 . 1 1 11 11 SER CA C 11 59.364 59.364 58.205 1.159 19087 9815 1 19 . 1 1 11 11 SER CB C 11 63.989 63.989 63.945 0.044 19087 9816 1 19 . 1 1 12 12 ALA N N 12 125.500 125.500 124.787 0.713 19087 9817 1 19 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.598 -0.242 19087 9818 1 19 . 1 1 12 12 ALA C C 12 177.811 177.811 176.259 1.552 19087 9819 1 19 . 1 1 12 12 ALA CA C 12 52.815 52.815 51.393 1.422 19087 9820 1 19 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.061 -0.857 19087 9821 1 19 . 1 1 12 12 ALA H H 12 8.087 8.087 8.186 -0.099 19087 9822 1 19 . 1 1 13 13 ILE N N 13 119.045 119.045 118.699 0.346 19087 9823 1 19 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.502 -0.309 19087 9824 1 19 . 1 1 13 13 ILE CA C 13 61.163 61.163 60.884 0.279 19087 9825 1 19 . 1 1 13 13 ILE CB C 13 38.721 38.721 39.248 -0.527 19087 9826 1 19 . 1 1 13 13 ILE H H 13 7.938 7.938 8.222 -0.284 19087 9827 1 19 . 1 1 14 14 SER N N 14 119.662 119.662 114.749 4.913 19087 9828 1 19 . 1 1 14 14 SER H H 14 8.339 8.339 8.186 0.153 19087 9829 1 19 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.659 -0.373 19087 9830 1 19 . 1 1 21 21 ALA C C 21 177.013 177.013 175.543 1.470 19087 9831 1 19 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.651 -0.067 19087 9832 1 19 . 1 1 21 21 ALA CB C 21 19.339 19.339 20.094 -0.755 19087 9833 1 19 . 1 1 22 22 ALA N N 22 124.579 124.579 123.331 1.248 19087 9834 1 19 . 1 1 22 22 ALA HA H 22 4.725 4.725 5.164 -0.439 19087 9835 1 19 . 1 1 22 22 ALA CA C 22 50.310 50.310 50.643 -0.333 19087 9836 1 19 . 1 1 22 22 ALA CB C 22 18.232 18.232 19.078 -0.847 19087 9837 1 19 . 1 1 22 22 ALA H H 22 8.182 8.182 8.796 -0.614 19087 9838 1 19 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.542 -0.407 19087 9839 1 19 . 1 1 28 28 VAL C C 28 175.779 175.779 175.390 0.389 19087 9840 1 19 . 1 1 28 28 VAL CA C 28 62.167 62.167 61.655 0.512 19087 9841 1 19 . 1 1 28 28 VAL CB C 28 32.681 32.681 32.703 -0.022 19087 9842 1 19 . 1 1 29 29 LYS N N 29 126.858 126.858 125.646 1.212 19087 9843 1 19 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.733 -0.021 19087 9844 1 19 . 1 1 29 29 LYS CA C 29 54.135 54.135 53.978 0.156 19087 9845 1 19 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.404 0.242 19087 9846 1 19 . 1 1 29 29 LYS H H 29 8.346 8.346 8.447 -0.101 19087 9847 1 19 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.332 0.070 19087 9848 1 19 . 1 1 30 30 PRO C C 30 176.435 176.435 176.455 -0.020 19087 9849 1 19 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.818 -0.042 19087 9850 1 19 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.211 -0.057 19087 9851 1 19 . 1 1 31 31 ALA N N 31 124.680 124.680 124.324 0.356 19087 9852 1 19 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.237 0.110 19087 9853 1 19 . 1 1 31 31 ALA C C 31 176.860 176.860 177.736 -0.876 19087 9854 1 19 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.686 0.630 19087 9855 1 19 . 1 1 31 31 ALA CB C 31 19.398 19.398 19.577 -0.179 19087 9856 1 19 . 1 1 31 31 ALA H H 31 8.324 8.324 8.090 0.234 19087 9857 1 19 . 1 1 32 32 ALA N N 32 125.011 125.011 124.537 0.474 19087 9858 1 19 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.448 0.288 19087 9859 1 19 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.815 -0.328 19087 9860 1 19 . 1 1 32 32 ALA CB C 32 18.203 18.203 18.565 -0.362 19087 9861 1 19 . 1 1 32 32 ALA H H 32 8.246 8.246 8.243 0.003 19087 9862 1 19 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.590 -0.124 19087 9863 1 19 . 1 1 33 33 PRO C C 33 176.834 176.834 175.857 0.977 19087 9864 1 19 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.514 0.311 19087 9865 1 19 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.630 -0.635 19087 9866 1 19 . 1 1 34 34 ARG N N 34 121.170 121.170 121.011 0.159 19087 9867 1 19 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.239 0.147 19087 9868 1 19 . 1 1 34 34 ARG C C 34 175.853 175.853 175.093 0.760 19087 9869 1 19 . 1 1 34 34 ARG CA C 34 55.912 55.912 55.939 -0.027 19087 9870 1 19 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.104 0.568 19087 9871 1 19 . 1 1 34 34 ARG H H 34 8.349 8.349 8.338 0.011 19087 9872 1 19 . 1 1 35 35 ALA N N 35 124.878 124.878 121.591 3.287 19087 9873 1 19 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.537 0.075 19087 9874 1 19 . 1 1 35 35 ALA C C 35 176.170 176.170 175.899 0.271 19087 9875 1 19 . 1 1 35 35 ALA CA C 35 51.566 51.566 50.889 0.677 19087 9876 1 19 . 1 1 35 35 ALA CB C 35 20.722 20.722 21.710 -0.988 19087 9877 1 19 . 1 1 35 35 ALA H H 35 8.008 8.008 8.124 -0.116 19087 9878 1 19 . 1 1 36 36 GLU N N 36 119.776 119.776 121.079 -1.303 19087 9879 1 19 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.386 0.045 19087 9880 1 19 . 1 1 36 36 GLU C C 36 174.618 174.618 175.136 -0.518 19087 9881 1 19 . 1 1 36 36 GLU CA C 36 56.472 56.472 56.174 0.298 19087 9882 1 19 . 1 1 36 36 GLU CB C 36 31.124 31.124 29.394 1.730 19087 9883 1 19 . 1 1 36 36 GLU H H 36 8.495 8.495 8.869 -0.374 19087 9884 1 19 . 1 1 37 37 VAL N N 37 119.808 119.808 125.341 -5.533 19087 9885 1 19 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.497 0.405 19087 9886 1 19 . 1 1 37 37 VAL C C 37 174.285 174.285 174.656 -0.371 19087 9887 1 19 . 1 1 37 37 VAL CA C 37 60.639 60.639 61.181 -0.542 19087 9888 1 19 . 1 1 37 37 VAL CB C 37 34.612 34.612 34.376 0.236 19087 9889 1 19 . 1 1 37 37 VAL H H 37 8.494 8.494 8.790 -0.296 19087 9890 1 19 . 1 1 38 38 ARG N N 38 124.534 124.534 124.619 -0.085 19087 9891 1 19 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.154 -0.228 19087 9892 1 19 . 1 1 38 38 ARG C C 38 174.239 174.239 173.565 0.674 19087 9893 1 19 . 1 1 38 38 ARG CA C 38 55.092 55.092 54.051 1.041 19087 9894 1 19 . 1 1 38 38 ARG CB C 38 34.190 34.190 33.741 0.449 19087 9895 1 19 . 1 1 38 38 ARG H H 38 8.652 8.652 9.108 -0.456 19087 9896 1 19 . 1 1 39 39 VAL N N 39 121.231 121.231 121.841 -0.610 19087 9897 1 19 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.572 0.226 19087 9898 1 19 . 1 1 39 39 VAL C C 39 173.357 173.357 174.133 -0.776 19087 9899 1 19 . 1 1 39 39 VAL CA C 39 60.638 60.638 60.626 0.012 19087 9900 1 19 . 1 1 39 39 VAL CB C 39 34.294 34.294 32.819 1.475 19087 9901 1 19 . 1 1 39 39 VAL H H 39 7.934 7.934 8.265 -0.331 19087 9902 1 19 . 1 1 40 40 TYR N N 40 122.262 122.262 127.053 -4.791 19087 9903 1 19 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.168 -0.014 19087 9904 1 19 . 1 1 40 40 TYR C C 40 175.124 175.124 174.974 0.150 19087 9905 1 19 . 1 1 40 40 TYR CA C 40 55.540 55.540 56.397 -0.857 19087 9906 1 19 . 1 1 40 40 TYR CB C 40 42.223 42.223 38.779 3.444 19087 9907 1 19 . 1 1 40 40 TYR H H 40 9.343 9.343 8.750 0.593 19087 9908 1 19 . 1 1 41 41 ASN N N 41 121.684 121.684 123.964 -2.280 19087 9909 1 19 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.139 -0.107 19087 9910 1 19 . 1 1 41 41 ASN C C 41 176.301 176.301 174.559 1.742 19087 9911 1 19 . 1 1 41 41 ASN CA C 41 52.635 52.635 52.532 0.103 19087 9912 1 19 . 1 1 41 41 ASN CB C 41 39.836 39.836 40.538 -0.702 19087 9913 1 19 . 1 1 41 41 ASN H H 41 9.287 9.287 8.515 0.772 19087 9914 1 19 . 1 1 42 42 ILE N N 42 119.462 119.462 126.426 -6.964 19087 9915 1 19 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.278 1.172 19087 9916 1 19 . 1 1 42 42 ILE C C 42 176.450 176.450 174.823 1.627 19087 9917 1 19 . 1 1 42 42 ILE CA C 42 60.513 60.513 61.439 -0.926 19087 9918 1 19 . 1 1 42 42 ILE CB C 42 38.597 38.597 39.616 -1.019 19087 9919 1 19 . 1 1 42 42 ILE H H 42 8.541 8.541 8.470 0.071 19087 9920 1 19 . 1 1 43 43 SER N N 43 118.212 118.212 115.071 3.141 19087 9921 1 19 . 1 1 43 43 SER HA H 43 4.729 4.729 4.652 0.077 19087 9922 1 19 . 1 1 43 43 SER CA C 43 58.598 58.598 57.707 0.891 19087 9923 1 19 . 1 1 43 43 SER CB C 43 66.262 66.262 66.172 0.090 19087 9924 1 19 . 1 1 43 43 SER H H 43 8.142 8.142 7.715 0.427 19087 9925 1 19 . 1 1 44 44 GLY C C 44 174.414 174.414 174.159 0.255 19087 9926 1 19 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.092 0.287 19087 9927 1 19 . 1 1 45 45 THR N N 45 116.371 116.371 114.048 2.323 19087 9928 1 19 . 1 1 45 45 THR HA H 45 4.384 4.384 4.581 -0.197 19087 9929 1 19 . 1 1 45 45 THR CA C 45 61.814 61.814 62.600 -0.786 19087 9930 1 19 . 1 1 45 45 THR CB C 45 69.787 69.787 68.610 1.177 19087 9931 1 19 . 1 1 45 45 THR H H 45 8.298 8.298 7.998 0.300 19087 9932 1 19 . 1 1 47 47 GLY C C 47 175.691 175.691 175.492 0.199 19087 9933 1 19 . 1 1 47 47 GLY CA C 47 46.191 46.191 45.885 0.306 19087 9934 1 19 . 1 1 48 48 ALA N N 48 121.957 121.957 124.748 -2.791 19087 9935 1 19 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.093 -0.064 19087 9936 1 19 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.459 0.943 19087 9937 1 19 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.471 0.021 19087 9938 1 19 . 1 1 48 48 ALA H H 48 7.511 7.511 8.194 -0.683 19087 9939 1 19 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.969 0.015 19087 9940 1 19 . 1 1 49 49 ALA C C 49 178.073 178.073 178.937 -0.864 19087 9941 1 19 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.887 -0.026 19087 9942 1 19 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.463 0.226 19087 9943 1 19 . 1 1 50 50 ALA N N 50 122.654 122.654 119.738 2.916 19087 9944 1 19 . 1 1 50 50 ALA HA H 50 3.989 3.989 4.027 -0.038 19087 9945 1 19 . 1 1 50 50 ALA C C 50 179.642 179.642 179.209 0.433 19087 9946 1 19 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.681 1.171 19087 9947 1 19 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.094 -0.306 19087 9948 1 19 . 1 1 50 50 ALA H H 50 7.965 7.965 7.975 -0.010 19087 9949 1 19 . 1 1 51 51 ARG N N 51 116.659 116.659 118.650 -1.991 19087 9950 1 19 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.110 0.081 19087 9951 1 19 . 1 1 51 51 ARG C C 51 179.931 179.931 178.263 1.668 19087 9952 1 19 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.932 0.580 19087 9953 1 19 . 1 1 51 51 ARG CB C 51 30.463 30.463 30.057 0.406 19087 9954 1 19 . 1 1 51 51 ARG H H 51 7.982 7.982 8.134 -0.152 19087 9955 1 19 . 1 1 52 52 THR N N 52 117.745 117.745 111.000 6.745 19087 9956 1 19 . 1 1 52 52 THR HA H 52 4.162 4.162 4.186 -0.024 19087 9957 1 19 . 1 1 52 52 THR C C 52 175.626 175.626 175.352 0.274 19087 9958 1 19 . 1 1 52 52 THR CA C 52 68.565 68.565 64.810 3.755 19087 9959 1 19 . 1 1 52 52 THR CB C 52 70.787 70.787 68.675 2.112 19087 9960 1 19 . 1 1 52 52 THR H H 52 7.661 7.661 7.828 -0.167 19087 9961 1 19 . 1 1 53 53 ALA N N 53 123.939 123.939 125.008 -1.069 19087 9962 1 19 . 1 1 53 53 ALA HA H 53 3.886 3.886 4.046 -0.160 19087 9963 1 19 . 1 1 53 53 ALA C C 53 179.013 179.013 179.282 -0.269 19087 9964 1 19 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.425 1.772 19087 9965 1 19 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.915 -0.198 19087 9966 1 19 . 1 1 53 53 ALA H H 53 8.805 8.805 7.178 1.627 19087 9967 1 19 . 1 1 54 54 ASP N N 54 118.351 118.351 119.198 -0.847 19087 9968 1 19 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.310 0.122 19087 9969 1 19 . 1 1 54 54 ASP C C 54 179.376 179.376 178.334 1.042 19087 9970 1 19 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.792 0.215 19087 9971 1 19 . 1 1 54 54 ASP CB C 54 40.242 40.242 40.400 -0.158 19087 9972 1 19 . 1 1 54 54 ASP H H 54 8.327 8.327 8.262 0.065 19087 9973 1 19 . 1 1 55 55 ARG N N 55 121.120 121.120 119.894 1.226 19087 9974 1 19 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.069 0.106 19087 9975 1 19 . 1 1 55 55 ARG C C 55 179.550 179.550 178.765 0.785 19087 9976 1 19 . 1 1 55 55 ARG CA C 55 59.285 59.285 59.045 0.240 19087 9977 1 19 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.183 0.137 19087 9978 1 19 . 1 1 55 55 ARG H H 55 7.723 7.723 7.457 0.266 19087 9979 1 19 . 1 1 56 56 LEU N N 56 118.659 118.659 118.207 0.452 19087 9980 1 19 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.181 0.151 19087 9981 1 19 . 1 1 56 56 LEU C C 56 179.305 179.305 178.699 0.606 19087 9982 1 19 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.826 -0.389 19087 9983 1 19 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.672 -0.385 19087 9984 1 19 . 1 1 56 56 LEU H H 56 8.215 8.215 7.827 0.388 19087 9985 1 19 . 1 1 57 57 LYS N N 57 122.713 122.713 120.135 2.578 19087 9986 1 19 . 1 1 57 57 LYS HA H 57 4.513 4.513 4.216 0.297 19087 9987 1 19 . 1 1 57 57 LYS C C 57 181.436 181.436 178.672 2.764 19087 9988 1 19 . 1 1 57 57 LYS CA C 57 60.004 60.004 58.521 1.483 19087 9989 1 19 . 1 1 57 57 LYS CB C 57 32.437 32.437 31.342 1.095 19087 9990 1 19 . 1 1 57 57 LYS H H 57 8.914 8.914 7.507 1.407 19087 9991 1 19 . 1 1 58 58 ALA N N 58 122.423 122.423 121.369 1.054 19087 9992 1 19 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.252 -0.042 19087 9993 1 19 . 1 1 58 58 ALA C C 58 178.516 178.516 179.136 -0.620 19087 9994 1 19 . 1 1 58 58 ALA CA C 58 55.069 55.069 54.310 0.759 19087 9995 1 19 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.067 -0.158 19087 9996 1 19 . 1 1 58 58 ALA H H 58 8.026 8.026 7.806 0.220 19087 9997 1 19 . 1 1 59 59 ALA N N 59 118.347 118.347 119.799 -1.452 19087 9998 1 19 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.379 0.107 19087 9999 1 19 . 1 1 59 59 ALA C C 59 176.797 176.797 178.004 -1.207 19087 10000 1 19 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.531 -0.773 19087 10001 1 19 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.819 -0.450 19087 10002 1 19 . 1 1 59 59 ALA H H 59 7.413 7.413 7.762 -0.349 19087 10003 1 19 . 1 1 60 60 GLY N N 60 104.918 104.918 105.155 -0.237 19087 10004 1 19 . 1 1 60 60 GLY C C 60 174.741 174.741 173.594 1.147 19087 10005 1 19 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.596 0.640 19087 10006 1 19 . 1 1 60 60 GLY H H 60 7.694 7.694 7.679 0.015 19087 10007 1 19 . 1 1 61 61 PHE N N 61 118.862 118.862 119.977 -1.115 19087 10008 1 19 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.460 0.035 19087 10009 1 19 . 1 1 61 61 PHE C C 61 175.204 175.204 176.857 -1.653 19087 10010 1 19 . 1 1 61 61 PHE CA C 61 58.483 58.483 58.890 -0.407 19087 10011 1 19 . 1 1 61 61 PHE CB C 61 39.163 39.163 39.494 -0.331 19087 10012 1 19 . 1 1 61 61 PHE H H 61 7.879 7.879 8.100 -0.221 19087 10013 1 19 . 1 1 62 62 THR N N 62 121.319 121.319 117.827 3.492 19087 10014 1 19 . 1 1 62 62 THR HA H 62 4.303 4.303 4.198 0.105 19087 10015 1 19 . 1 1 62 62 THR C C 62 173.073 173.073 174.614 -1.541 19087 10016 1 19 . 1 1 62 62 THR CA C 62 69.389 69.389 65.893 3.496 19087 10017 1 19 . 1 1 62 62 THR CB C 62 62.478 62.478 69.283 -6.805 19087 10018 1 19 . 1 1 62 62 THR H H 62 9.493 9.493 8.444 1.049 19087 10019 1 19 . 1 1 63 63 VAL N N 63 128.406 128.406 116.601 11.805 19087 10020 1 19 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.613 0.047 19087 10021 1 19 . 1 1 63 63 VAL C C 63 177.267 177.267 174.234 3.033 19087 10022 1 19 . 1 1 63 63 VAL CA C 63 60.099 60.099 60.631 -0.532 19087 10023 1 19 . 1 1 63 63 VAL CB C 63 32.572 32.572 34.516 -1.944 19087 10024 1 19 . 1 1 63 63 VAL H H 63 8.293 8.293 7.452 0.841 19087 10025 1 19 . 1 1 64 64 THR N N 64 118.495 118.495 114.970 3.525 19087 10026 1 19 . 1 1 64 64 THR HA H 64 4.350 4.350 4.844 -0.494 19087 10027 1 19 . 1 1 64 64 THR CA C 64 62.182 62.182 60.513 1.669 19087 10028 1 19 . 1 1 64 64 THR CB C 64 69.143 69.143 70.006 -0.863 19087 10029 1 19 . 1 1 64 64 THR H H 64 8.770 8.770 8.396 0.374 19087 10030 1 19 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.800 -0.499 19087 10031 1 19 . 1 1 65 65 ASP C C 65 173.778 173.778 174.362 -0.584 19087 10032 1 19 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.041 1.246 19087 10033 1 19 . 1 1 65 65 ASP CB C 65 44.018 44.018 43.825 0.193 19087 10034 1 19 . 1 1 66 66 VAL N N 66 121.705 121.705 121.376 0.329 19087 10035 1 19 . 1 1 66 66 VAL HA H 66 4.863 4.863 4.924 -0.061 19087 10036 1 19 . 1 1 66 66 VAL C C 66 176.234 176.234 174.581 1.653 19087 10037 1 19 . 1 1 66 66 VAL CA C 66 60.597 60.597 59.896 0.701 19087 10038 1 19 . 1 1 66 66 VAL CB C 66 34.120 34.120 34.907 -0.787 19087 10039 1 19 . 1 1 66 66 VAL H H 66 7.849 7.849 8.226 -0.377 19087 10040 1 19 . 1 1 67 67 GLY N N 67 112.050 112.050 114.415 -2.365 19087 10041 1 19 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.166 0.452 19087 10042 1 19 . 1 1 67 67 GLY H H 67 8.151 8.151 8.581 -0.430 19087 10043 1 19 . 1 1 68 68 ASN C C 68 173.771 173.771 174.289 -0.518 19087 10044 1 19 . 1 1 68 68 ASN CA C 68 53.062 53.062 52.039 1.023 19087 10045 1 19 . 1 1 68 68 ASN CB C 68 39.832 39.832 38.361 1.471 19087 10046 1 19 . 1 1 69 69 LEU N N 69 121.003 121.003 124.129 -3.126 19087 10047 1 19 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.622 -0.085 19087 10048 1 19 . 1 1 69 69 LEU C C 69 174.751 174.751 175.038 -0.287 19087 10049 1 19 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.698 -0.773 19087 10050 1 19 . 1 1 69 69 LEU CB C 69 47.313 47.313 45.901 1.412 19087 10051 1 19 . 1 1 69 69 LEU H H 69 8.276 8.276 8.308 -0.032 19087 10052 1 19 . 1 1 70 70 SER N N 70 116.269 116.269 120.386 -4.117 19087 10053 1 19 . 1 1 70 70 SER C C 70 173.777 173.777 173.838 -0.061 19087 10054 1 19 . 1 1 70 70 SER CA C 70 56.923 56.923 58.421 -1.498 19087 10055 1 19 . 1 1 70 70 SER CB C 70 63.219 63.219 62.874 0.345 19087 10056 1 19 . 1 1 70 70 SER H H 70 8.122 8.122 8.526 -0.404 19087 10057 1 19 . 1 1 71 71 LEU N N 71 127.999 127.999 127.978 0.021 19087 10058 1 19 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.554 0.202 19087 10059 1 19 . 1 1 71 71 LEU CA C 71 52.165 52.165 53.033 -0.868 19087 10060 1 19 . 1 1 71 71 LEU CB C 71 44.179 44.179 40.890 3.289 19087 10061 1 19 . 1 1 71 71 LEU H H 71 8.293 8.293 8.125 0.168 19087 10062 1 19 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.446 -0.086 19087 10063 1 19 . 1 1 72 72 PRO C C 72 176.922 176.922 176.254 0.668 19087 10064 1 19 . 1 1 72 72 PRO CA C 72 64.244 64.244 63.915 0.329 19087 10065 1 19 . 1 1 72 72 PRO CB C 72 32.466 32.466 32.012 0.454 19087 10066 1 19 . 1 1 73 73 ASP N N 73 115.106 115.106 114.983 0.123 19087 10067 1 19 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.523 0.035 19087 10068 1 19 . 1 1 73 73 ASP C C 73 175.809 175.809 175.547 0.262 19087 10069 1 19 . 1 1 73 73 ASP CA C 73 55.145 55.145 53.807 1.338 19087 10070 1 19 . 1 1 73 73 ASP CB C 73 40.778 40.778 41.013 -0.235 19087 10071 1 19 . 1 1 73 73 ASP H H 73 8.431 8.431 8.118 0.313 19087 10072 1 19 . 1 1 74 74 VAL N N 74 122.218 122.218 121.521 0.697 19087 10073 1 19 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.063 -0.097 19087 10074 1 19 . 1 1 74 74 VAL C C 74 175.339 175.339 175.093 0.246 19087 10075 1 19 . 1 1 74 74 VAL CA C 74 63.871 63.871 63.185 0.686 19087 10076 1 19 . 1 1 74 74 VAL CB C 74 32.075 32.075 31.527 0.548 19087 10077 1 19 . 1 1 74 74 VAL H H 74 7.468 7.468 7.472 -0.004 19087 10078 1 19 . 1 1 75 75 ALA N N 75 128.630 128.630 129.859 -1.229 19087 10079 1 19 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.522 -0.097 19087 10080 1 19 . 1 1 75 75 ALA C C 75 176.404 176.404 175.951 0.453 19087 10081 1 19 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.415 0.012 19087 10082 1 19 . 1 1 75 75 ALA CB C 75 20.471 20.471 20.155 0.316 19087 10083 1 19 . 1 1 75 75 ALA H H 75 8.581 8.581 8.804 -0.223 19087 10084 1 19 . 1 1 76 76 ALA N N 76 120.481 120.481 121.166 -0.685 19087 10085 1 19 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.400 0.257 19087 10086 1 19 . 1 1 76 76 ALA C C 76 175.925 175.925 176.019 -0.094 19087 10087 1 19 . 1 1 76 76 ALA CA C 76 50.995 50.995 52.099 -1.104 19087 10088 1 19 . 1 1 76 76 ALA CB C 76 22.365 22.365 20.557 1.808 19087 10089 1 19 . 1 1 76 76 ALA H H 76 7.438 7.438 7.446 -0.008 19087 10090 1 19 . 1 1 77 77 THR N N 77 121.464 121.464 118.086 3.378 19087 10091 1 19 . 1 1 77 77 THR HA H 77 4.734 4.734 4.672 0.062 19087 10092 1 19 . 1 1 77 77 THR C C 77 174.143 174.143 174.068 0.075 19087 10093 1 19 . 1 1 77 77 THR CA C 77 63.914 63.914 62.190 1.724 19087 10094 1 19 . 1 1 77 77 THR CB C 77 70.070 70.070 68.772 1.298 19087 10095 1 19 . 1 1 77 77 THR H H 77 8.390 8.390 8.431 -0.041 19087 10096 1 19 . 1 1 78 78 THR N N 78 123.538 123.538 123.777 -0.239 19087 10097 1 19 . 1 1 78 78 THR HA H 78 4.644 4.644 4.953 -0.309 19087 10098 1 19 . 1 1 78 78 THR C C 78 181.684 181.684 172.524 9.160 19087 10099 1 19 . 1 1 78 78 THR CA C 78 62.511 62.511 61.025 1.486 19087 10100 1 19 . 1 1 78 78 THR CB C 78 72.846 72.846 72.991 -0.145 19087 10101 1 19 . 1 1 78 78 THR H H 78 8.355 8.355 8.294 0.061 19087 10102 1 19 . 1 1 79 79 VAL N N 79 126.455 126.455 121.860 4.595 19087 10103 1 19 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.065 0.531 19087 10104 1 19 . 1 1 79 79 VAL C C 79 173.702 173.702 173.648 0.054 19087 10105 1 19 . 1 1 79 79 VAL CA C 79 60.385 60.385 61.437 -1.052 19087 10106 1 19 . 1 1 79 79 VAL CB C 79 33.089 33.089 32.356 0.733 19087 10107 1 19 . 1 1 79 79 VAL H H 79 8.685 8.685 8.320 0.365 19087 10108 1 19 . 1 1 80 80 TYR N N 80 123.574 123.574 127.418 -3.844 19087 10109 1 19 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.373 1.027 19087 10110 1 19 . 1 1 80 80 TYR C C 80 176.410 176.410 175.563 0.847 19087 10111 1 19 . 1 1 80 80 TYR CA C 80 56.608 56.608 55.368 1.240 19087 10112 1 19 . 1 1 80 80 TYR CB C 80 42.567 42.567 39.236 3.330 19087 10113 1 19 . 1 1 80 80 TYR H H 80 9.702 9.702 8.542 1.160 19087 10114 1 19 . 1 1 81 81 TYR N N 81 117.754 117.754 121.482 -3.728 19087 10115 1 19 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.335 0.139 19087 10116 1 19 . 1 1 81 81 TYR C C 81 173.237 173.237 174.642 -1.405 19087 10117 1 19 . 1 1 81 81 TYR CA C 81 55.498 55.498 54.908 0.590 19087 10118 1 19 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.109 2.140 19087 10119 1 19 . 1 1 81 81 TYR H H 81 8.221 8.221 8.268 -0.047 19087 10120 1 19 . 1 1 82 82 THR N N 82 111.056 111.056 115.498 -4.442 19087 10121 1 19 . 1 1 82 82 THR HA H 82 4.724 4.724 4.526 0.198 19087 10122 1 19 . 1 1 82 82 THR C C 82 174.521 174.521 176.192 -1.671 19087 10123 1 19 . 1 1 82 82 THR CA C 82 60.896 60.896 62.749 -1.853 19087 10124 1 19 . 1 1 82 82 THR CB C 82 71.506 71.506 69.671 1.835 19087 10125 1 19 . 1 1 82 82 THR H H 82 8.245 8.245 9.101 -0.856 19087 10126 1 19 . 1 1 83 83 GLU N N 83 117.058 117.058 124.702 -7.644 19087 10127 1 19 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.545 -0.068 19087 10128 1 19 . 1 1 83 83 GLU C C 83 176.152 176.152 176.323 -0.171 19087 10129 1 19 . 1 1 83 83 GLU CA C 83 57.179 57.179 54.353 2.826 19087 10130 1 19 . 1 1 83 83 GLU CB C 83 28.714 28.714 27.972 0.742 19087 10131 1 19 . 1 1 83 83 GLU H H 83 8.772 8.772 8.201 0.571 19087 10132 1 19 . 1 1 84 84 VAL N N 84 123.039 123.039 118.969 4.070 19087 10133 1 19 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.591 0.303 19087 10134 1 19 . 1 1 84 84 VAL C C 84 177.170 177.170 177.150 0.020 19087 10135 1 19 . 1 1 84 84 VAL CA C 84 63.678 63.678 63.900 -0.222 19087 10136 1 19 . 1 1 84 84 VAL CB C 84 32.474 32.474 32.259 0.215 19087 10137 1 19 . 1 1 84 84 VAL H H 84 7.818 7.818 7.351 0.467 19087 10138 1 19 . 1 1 85 85 GLU N N 85 129.351 129.351 122.099 7.252 19087 10139 1 19 . 1 1 85 85 GLU HA H 85 3.892 3.892 4.016 -0.124 19087 10140 1 19 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.504 0.501 19087 10141 1 19 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.348 1.175 19087 10142 1 19 . 1 1 85 85 GLU H H 85 8.796 8.796 8.997 -0.201 19087 10143 1 19 . 1 1 86 86 GLY C C 86 176.321 176.321 175.670 0.651 19087 10144 1 19 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.856 0.020 19087 10145 1 19 . 1 1 87 87 GLU N N 87 121.773 121.773 121.426 0.347 19087 10146 1 19 . 1 1 87 87 GLU HA H 87 3.948 3.948 4.239 -0.291 19087 10147 1 19 . 1 1 87 87 GLU C C 87 178.276 178.276 177.777 0.499 19087 10148 1 19 . 1 1 87 87 GLU CA C 87 61.762 61.762 58.286 3.476 19087 10149 1 19 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.957 0.139 19087 10150 1 19 . 1 1 87 87 GLU H H 87 8.133 8.133 7.993 0.140 19087 10151 1 19 . 1 1 88 88 ARG N N 88 121.466 121.466 118.536 2.930 19087 10152 1 19 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.529 -0.167 19087 10153 1 19 . 1 1 88 88 ARG C C 88 177.229 177.229 177.831 -0.602 19087 10154 1 19 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.429 1.064 19087 10155 1 19 . 1 1 88 88 ARG CB C 88 29.059 29.059 28.335 0.724 19087 10156 1 19 . 1 1 88 88 ARG H H 88 9.132 9.132 8.450 0.682 19087 10157 1 19 . 1 1 89 89 ALA N N 89 119.527 119.527 121.098 -1.571 19087 10158 1 19 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.201 -0.018 19087 10159 1 19 . 1 1 89 89 ALA C C 89 181.949 181.949 179.233 2.716 19087 10160 1 19 . 1 1 89 89 ALA CA C 89 55.282 55.282 55.034 0.248 19087 10161 1 19 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.142 -0.014 19087 10162 1 19 . 1 1 89 89 ALA H H 89 8.388 8.388 7.684 0.704 19087 10163 1 19 . 1 1 90 90 THR N N 90 115.279 115.279 113.613 1.666 19087 10164 1 19 . 1 1 90 90 THR HA H 90 4.146 4.146 4.115 0.031 19087 10165 1 19 . 1 1 90 90 THR C C 90 175.118 175.118 176.407 -1.289 19087 10166 1 19 . 1 1 90 90 THR CA C 90 66.607 66.607 64.696 1.911 19087 10167 1 19 . 1 1 90 90 THR CB C 90 68.971 68.971 68.567 0.404 19087 10168 1 19 . 1 1 90 90 THR H H 90 7.640 7.640 7.494 0.146 19087 10169 1 19 . 1 1 91 91 ALA N N 91 124.784 124.784 123.711 1.073 19087 10170 1 19 . 1 1 91 91 ALA HA H 91 3.769 3.769 3.972 -0.203 19087 10171 1 19 . 1 1 91 91 ALA C C 91 178.546 178.546 178.734 -0.188 19087 10172 1 19 . 1 1 91 91 ALA CA C 91 55.552 55.552 55.595 -0.043 19087 10173 1 19 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.533 0.720 19087 10174 1 19 . 1 1 91 91 ALA H H 91 9.095 9.095 8.097 0.998 19087 10175 1 19 . 1 1 92 92 ASP N N 92 118.310 118.310 119.368 -1.058 19087 10176 1 19 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.299 0.118 19087 10177 1 19 . 1 1 92 92 ASP C C 92 179.053 179.053 178.155 0.898 19087 10178 1 19 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.589 0.053 19087 10179 1 19 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.742 -0.313 19087 10180 1 19 . 1 1 92 92 ASP H H 92 8.898 8.898 7.838 1.060 19087 10181 1 19 . 1 1 93 93 ALA N N 93 122.980 122.980 121.496 1.484 19087 10182 1 19 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.069 0.205 19087 10183 1 19 . 1 1 93 93 ALA C C 93 180.933 180.933 180.342 0.591 19087 10184 1 19 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.041 0.534 19087 10185 1 19 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.365 -0.189 19087 10186 1 19 . 1 1 93 93 ALA H H 93 7.424 7.424 7.630 -0.206 19087 10187 1 19 . 1 1 94 94 VAL N N 94 123.968 123.968 120.071 3.897 19087 10188 1 19 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.662 -0.718 19087 10189 1 19 . 1 1 94 94 VAL C C 94 178.269 178.269 178.109 0.160 19087 10190 1 19 . 1 1 94 94 VAL CA C 94 66.399 66.399 66.454 -0.055 19087 10191 1 19 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.668 -0.965 19087 10192 1 19 . 1 1 94 94 VAL H H 94 8.808 8.808 7.435 1.373 19087 10193 1 19 . 1 1 95 95 GLY N N 95 108.282 108.282 106.162 2.120 19087 10194 1 19 . 1 1 95 95 GLY C C 95 176.440 176.440 175.936 0.504 19087 10195 1 19 . 1 1 95 95 GLY CA C 95 47.919 47.919 46.880 1.039 19087 10196 1 19 . 1 1 95 95 GLY H H 95 9.355 9.355 8.186 1.169 19087 10197 1 19 . 1 1 96 96 ARG N N 96 120.852 120.852 121.005 -0.153 19087 10198 1 19 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.163 0.040 19087 10199 1 19 . 1 1 96 96 ARG C C 96 179.101 179.101 178.348 0.753 19087 10200 1 19 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.845 0.365 19087 10201 1 19 . 1 1 96 96 ARG CB C 96 30.534 30.534 29.765 0.769 19087 10202 1 19 . 1 1 96 96 ARG H H 96 8.112 8.112 8.059 0.053 19087 10203 1 19 . 1 1 97 97 THR N N 97 117.170 117.170 114.853 2.317 19087 10204 1 19 . 1 1 97 97 THR HA H 97 3.986 3.986 4.078 -0.092 19087 10205 1 19 . 1 1 97 97 THR C C 97 175.451 175.451 176.493 -1.042 19087 10206 1 19 . 1 1 97 97 THR CA C 97 66.867 66.867 65.620 1.247 19087 10207 1 19 . 1 1 97 97 THR CB C 97 68.205 68.205 69.037 -0.832 19087 10208 1 19 . 1 1 97 97 THR H H 97 7.854 7.854 7.508 0.346 19087 10209 1 19 . 1 1 98 98 LEU N N 98 115.294 115.294 116.436 -1.142 19087 10210 1 19 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.448 -0.143 19087 10211 1 19 . 1 1 98 98 LEU C C 98 177.537 177.537 177.223 0.314 19087 10212 1 19 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.031 -0.448 19087 10213 1 19 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.084 1.290 19087 10214 1 19 . 1 1 98 98 LEU H H 98 7.855 7.855 7.382 0.473 19087 10215 1 19 . 1 1 99 99 GLY N N 99 111.931 111.931 107.499 4.432 19087 10216 1 19 . 1 1 99 99 GLY C C 99 173.997 173.997 173.513 0.484 19087 10217 1 19 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.008 1.985 19087 10218 1 19 . 1 1 99 99 GLY H H 99 8.101 8.101 7.854 0.247 19087 10219 1 19 . 1 1 100 100 ALA N N 100 121.739 121.739 123.217 -1.478 19087 10220 1 19 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.646 0.091 19087 10221 1 19 . 1 1 100 100 ALA C C 100 175.351 175.351 175.280 0.071 19087 10222 1 19 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.947 -0.541 19087 10223 1 19 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.945 2.014 19087 10224 1 19 . 1 1 100 100 ALA H H 100 8.033 8.033 7.982 0.051 19087 10225 1 19 . 1 1 101 101 ALA N N 101 122.895 122.895 123.729 -0.834 19087 10226 1 19 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.603 -0.394 19087 10227 1 19 . 1 1 101 101 ALA C C 101 175.179 175.179 176.740 -1.561 19087 10228 1 19 . 1 1 101 101 ALA CA C 101 52.737 52.737 51.102 1.635 19087 10229 1 19 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.850 -0.036 19087 10230 1 19 . 1 1 101 101 ALA H H 101 7.782 7.782 8.465 -0.683 19087 10231 1 19 . 1 1 102 102 VAL N N 102 120.035 120.035 118.061 1.974 19087 10232 1 19 . 1 1 102 102 VAL HA H 102 5.054 5.054 4.640 0.414 19087 10233 1 19 . 1 1 102 102 VAL C C 102 176.587 176.587 175.156 1.431 19087 10234 1 19 . 1 1 102 102 VAL CA C 102 60.988 60.988 60.100 0.888 19087 10235 1 19 . 1 1 102 102 VAL CB C 102 33.725 33.725 33.603 0.122 19087 10236 1 19 . 1 1 102 102 VAL H H 102 7.872 7.872 8.054 -0.182 19087 10237 1 19 . 1 1 103 103 GLU N N 103 126.469 126.469 123.876 2.593 19087 10238 1 19 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.448 0.431 19087 10239 1 19 . 1 1 103 103 GLU C C 103 174.343 174.343 173.796 0.547 19087 10240 1 19 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.872 -0.521 19087 10241 1 19 . 1 1 103 103 GLU CB C 103 35.595 35.595 33.624 1.971 19087 10242 1 19 . 1 1 103 103 GLU H H 103 9.215 9.215 8.473 0.742 19087 10243 1 19 . 1 1 104 104 LEU N N 104 123.109 123.109 121.859 1.250 19087 10244 1 19 . 1 1 104 104 LEU HA H 104 3.591 3.591 4.900 -1.309 19087 10245 1 19 . 1 1 104 104 LEU C C 104 178.379 178.379 178.013 0.366 19087 10246 1 19 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.577 -0.657 19087 10247 1 19 . 1 1 104 104 LEU CB C 104 42.910 42.910 43.300 -0.390 19087 10248 1 19 . 1 1 104 104 LEU H H 104 8.273 8.273 8.671 -0.398 19087 10249 1 19 . 1 1 105 105 ARG N N 105 119.790 119.790 123.224 -3.434 19087 10250 1 19 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.157 0.104 19087 10251 1 19 . 1 1 105 105 ARG C C 105 177.043 177.043 176.522 0.521 19087 10252 1 19 . 1 1 105 105 ARG CA C 105 59.310 59.310 55.776 3.534 19087 10253 1 19 . 1 1 105 105 ARG CB C 105 32.077 32.077 27.797 4.280 19087 10254 1 19 . 1 1 105 105 ARG H H 105 8.300 8.300 8.611 -0.311 19087 10255 1 19 . 1 1 106 106 LEU N N 106 122.431 122.431 121.405 1.026 19087 10256 1 19 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.106 0.292 19087 10257 1 19 . 1 1 106 106 LEU CA C 106 54.701 54.701 58.862 -4.162 19087 10258 1 19 . 1 1 106 106 LEU CB C 106 42.469 42.469 38.836 3.633 19087 10259 1 19 . 1 1 106 106 LEU H H 106 8.026 8.026 7.821 0.205 19087 10260 1 19 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.339 -0.100 19087 10261 1 19 . 1 1 107 107 PRO C C 107 179.627 179.627 178.029 1.598 19087 10262 1 19 . 1 1 107 107 PRO CA C 107 65.898 65.898 63.766 2.132 19087 10263 1 19 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.260 0.259 19087 10264 1 19 . 1 1 108 108 GLU N N 108 116.744 116.744 120.720 -3.976 19087 10265 1 19 . 1 1 108 108 GLU HA H 108 4.098 4.098 3.897 0.201 19087 10266 1 19 . 1 1 108 108 GLU C C 108 176.957 176.957 177.388 -0.431 19087 10267 1 19 . 1 1 108 108 GLU CA C 108 59.584 59.584 59.180 0.404 19087 10268 1 19 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.819 0.338 19087 10269 1 19 . 1 1 108 108 GLU H H 108 9.605 9.605 7.898 1.707 19087 10270 1 19 . 1 1 109 109 LEU N N 109 116.575 116.575 119.591 -3.016 19087 10271 1 19 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.160 0.370 19087 10272 1 19 . 1 1 109 109 LEU C C 109 177.894 177.894 177.906 -0.012 19087 10273 1 19 . 1 1 109 109 LEU CA C 109 53.489 53.489 56.640 -3.151 19087 10274 1 19 . 1 1 109 109 LEU CB C 109 42.241 42.241 41.865 0.376 19087 10275 1 19 . 1 1 109 109 LEU H H 109 7.630 7.630 7.716 -0.086 19087 10276 1 19 . 1 1 110 110 SER N N 110 117.031 117.031 114.902 2.129 19087 10277 1 19 . 1 1 110 110 SER HA H 110 3.943 3.943 4.162 -0.219 19087 10278 1 19 . 1 1 110 110 SER C C 110 174.273 174.273 175.377 -1.104 19087 10279 1 19 . 1 1 110 110 SER CA C 110 59.543 59.543 61.068 -1.525 19087 10280 1 19 . 1 1 110 110 SER CB C 110 63.609 63.609 63.361 0.248 19087 10281 1 19 . 1 1 110 110 SER H H 110 7.757 7.757 7.750 0.007 19087 10282 1 19 . 1 1 111 111 ASP N N 111 117.804 117.804 119.525 -1.721 19087 10283 1 19 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.662 -0.080 19087 10284 1 19 . 1 1 111 111 ASP C C 111 176.760 176.760 175.710 1.050 19087 10285 1 19 . 1 1 111 111 ASP CA C 111 53.976 53.976 54.137 -0.161 19087 10286 1 19 . 1 1 111 111 ASP CB C 111 40.183 40.183 42.335 -2.152 19087 10287 1 19 . 1 1 111 111 ASP H H 111 8.315 8.315 7.699 0.616 19087 10288 1 19 . 1 1 112 112 GLN N N 112 119.300 119.300 119.044 0.256 19087 10289 1 19 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.368 -0.068 19087 10290 1 19 . 1 1 112 112 GLN CA C 112 55.014 55.014 56.042 -1.028 19087 10291 1 19 . 1 1 112 112 GLN CB C 112 26.568 26.568 27.254 -0.686 19087 10292 1 19 . 1 1 112 112 GLN H H 112 7.212 7.212 8.110 -0.898 19087 10293 1 19 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.412 0.115 19087 10294 1 19 . 1 1 114 114 PRO C C 114 175.464 175.464 176.996 -1.532 19087 10295 1 19 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.032 1.037 19087 10296 1 19 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.487 -0.040 19087 10297 1 19 . 1 1 115 115 GLY N N 115 113.817 113.817 109.232 4.585 19087 10298 1 19 . 1 1 115 115 GLY C C 115 173.552 173.552 173.973 -0.421 19087 10299 1 19 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.663 -0.710 19087 10300 1 19 . 1 1 115 115 GLY H H 115 8.443 8.443 8.124 0.319 19087 10301 1 19 . 1 1 116 116 VAL N N 116 122.049 122.049 123.138 -1.089 19087 10302 1 19 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.097 0.034 19087 10303 1 19 . 1 1 116 116 VAL C C 116 174.533 174.533 176.304 -1.771 19087 10304 1 19 . 1 1 116 116 VAL CA C 116 63.916 63.916 65.041 -1.125 19087 10305 1 19 . 1 1 116 116 VAL CB C 116 32.342 32.342 31.086 1.256 19087 10306 1 19 . 1 1 116 116 VAL H H 116 8.957 8.957 8.114 0.843 19087 10307 1 19 . 1 1 117 117 ILE N N 117 126.102 126.102 124.288 1.814 19087 10308 1 19 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.207 -0.268 19087 10309 1 19 . 1 1 117 117 ILE C C 117 174.181 174.181 174.612 -0.431 19087 10310 1 19 . 1 1 117 117 ILE CA C 117 60.069 60.069 59.305 0.764 19087 10311 1 19 . 1 1 117 117 ILE CB C 117 42.368 42.368 39.563 2.805 19087 10312 1 19 . 1 1 117 117 ILE H H 117 7.863 7.863 8.715 -0.852 19087 10313 1 19 . 1 1 118 118 VAL N N 118 127.665 127.665 128.579 -0.914 19087 10314 1 19 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.692 0.232 19087 10315 1 19 . 1 1 118 118 VAL C C 118 175.224 175.224 174.785 0.439 19087 10316 1 19 . 1 1 118 118 VAL CA C 118 60.580 60.580 59.812 0.768 19087 10317 1 19 . 1 1 118 118 VAL CB C 118 33.945 33.945 33.593 0.352 19087 10318 1 19 . 1 1 118 118 VAL H H 118 9.348 9.348 8.458 0.890 19087 10319 1 19 . 1 1 119 119 VAL N N 119 121.828 121.828 127.761 -5.933 19087 10320 1 19 . 1 1 119 119 VAL HA H 119 5.563 5.563 5.256 0.307 19087 10321 1 19 . 1 1 119 119 VAL C C 119 174.425 174.425 174.711 -0.286 19087 10322 1 19 . 1 1 119 119 VAL CA C 119 58.691 58.691 60.144 -1.453 19087 10323 1 19 . 1 1 119 119 VAL CB C 119 32.886 32.886 32.572 0.314 19087 10324 1 19 . 1 1 119 119 VAL H H 119 9.096 9.096 8.552 0.544 19087 10325 1 19 . 1 1 120 120 VAL N N 120 120.260 120.260 128.076 -7.816 19087 10326 1 19 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.437 0.381 19087 10327 1 19 . 1 1 120 120 VAL C C 120 175.649 175.649 175.280 0.369 19087 10328 1 19 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.644 -0.013 19087 10329 1 19 . 1 1 120 120 VAL CB C 120 34.550 34.550 33.706 0.844 19087 10330 1 19 . 1 1 120 120 VAL H H 120 8.809 8.809 8.764 0.045 19087 10331 1 19 . 1 1 121 121 THR N N 121 114.564 114.564 117.728 -3.164 19087 10332 1 19 . 1 1 121 121 THR HA H 121 4.428 4.428 4.848 -0.420 19087 10333 1 19 . 1 1 121 121 THR C C 121 173.833 173.833 174.788 -0.955 19087 10334 1 19 . 1 1 121 121 THR CA C 121 60.834 60.834 60.233 0.602 19087 10335 1 19 . 1 1 121 121 THR CB C 121 69.413 69.413 70.368 -0.954 19087 10336 1 19 . 1 1 121 121 THR H H 121 7.859 7.859 8.418 -0.559 19087 10337 1 20 . 1 1 6 6 SER C C 6 174.665 174.665 174.835 -0.170 19087 10338 1 20 . 1 1 6 6 SER CA C 6 58.745 58.745 58.770 -0.025 19087 10339 1 20 . 1 1 6 6 SER CB C 6 63.870 63.870 62.862 1.008 19087 10340 1 20 . 1 1 7 7 GLU N N 7 122.278 122.278 125.557 -3.279 19087 10341 1 20 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.397 0.331 19087 10342 1 20 . 1 1 7 7 GLU C C 7 176.279 176.279 176.491 -0.212 19087 10343 1 20 . 1 1 7 7 GLU CA C 7 56.894 56.894 56.495 0.399 19087 10344 1 20 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.867 0.341 19087 10345 1 20 . 1 1 7 7 GLU H H 7 8.475 8.475 8.795 -0.320 19087 10346 1 20 . 1 1 8 8 ASP N N 8 120.753 120.753 120.667 0.086 19087 10347 1 20 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.439 0.270 19087 10348 1 20 . 1 1 8 8 ASP C C 8 176.070 176.070 175.778 0.292 19087 10349 1 20 . 1 1 8 8 ASP CA C 8 54.366 54.366 55.598 -1.232 19087 10350 1 20 . 1 1 8 8 ASP CB C 8 41.459 41.459 40.914 0.545 19087 10351 1 20 . 1 1 8 8 ASP H H 8 8.206 8.206 7.836 0.370 19087 10352 1 20 . 1 1 9 9 ASP N N 9 121.430 121.430 118.770 2.660 19087 10353 1 20 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.428 0.275 19087 10354 1 20 . 1 1 9 9 ASP CA C 9 54.444 54.444 53.987 0.457 19087 10355 1 20 . 1 1 9 9 ASP CB C 9 41.220 41.220 41.151 0.069 19087 10356 1 20 . 1 1 9 9 ASP H H 9 8.256 8.256 8.290 -0.034 19087 10357 1 20 . 1 1 11 11 SER C C 11 174.517 174.517 173.242 1.275 19087 10358 1 20 . 1 1 11 11 SER CA C 11 59.364 59.364 58.331 1.033 19087 10359 1 20 . 1 1 11 11 SER CB C 11 63.989 63.989 64.368 -0.379 19087 10360 1 20 . 1 1 12 12 ALA N N 12 125.500 125.500 126.213 -0.713 19087 10361 1 20 . 1 1 12 12 ALA HA H 12 4.356 4.356 5.093 -0.737 19087 10362 1 20 . 1 1 12 12 ALA C C 12 177.811 177.811 175.537 2.274 19087 10363 1 20 . 1 1 12 12 ALA CA C 12 52.815 52.815 51.540 1.275 19087 10364 1 20 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.106 -0.902 19087 10365 1 20 . 1 1 12 12 ALA H H 12 8.087 8.087 8.694 -0.607 19087 10366 1 20 . 1 1 13 13 ILE N N 13 119.045 119.045 122.578 -3.533 19087 10367 1 20 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.307 -0.114 19087 10368 1 20 . 1 1 13 13 ILE CA C 13 61.163 61.163 60.908 0.255 19087 10369 1 20 . 1 1 13 13 ILE CB C 13 38.721 38.721 39.872 -1.151 19087 10370 1 20 . 1 1 13 13 ILE H H 13 7.938 7.938 8.277 -0.339 19087 10371 1 20 . 1 1 14 14 SER N N 14 119.662 119.662 124.324 -4.662 19087 10372 1 20 . 1 1 14 14 SER H H 14 8.339 8.339 8.305 0.034 19087 10373 1 20 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.561 -0.275 19087 10374 1 20 . 1 1 21 21 ALA C C 21 177.013 177.013 176.486 0.527 19087 10375 1 20 . 1 1 21 21 ALA CA C 21 51.585 51.585 52.313 -0.728 19087 10376 1 20 . 1 1 21 21 ALA CB C 21 19.339 19.339 19.381 -0.042 19087 10377 1 20 . 1 1 22 22 ALA N N 22 124.579 124.579 126.885 -2.306 19087 10378 1 20 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.610 0.115 19087 10379 1 20 . 1 1 22 22 ALA CA C 22 50.310 50.310 51.161 -0.851 19087 10380 1 20 . 1 1 22 22 ALA CB C 22 18.232 18.232 19.268 -1.036 19087 10381 1 20 . 1 1 22 22 ALA H H 22 8.182 8.182 8.414 -0.232 19087 10382 1 20 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.324 -0.189 19087 10383 1 20 . 1 1 28 28 VAL C C 28 175.779 175.779 175.061 0.718 19087 10384 1 20 . 1 1 28 28 VAL CA C 28 62.167 62.167 62.228 -0.061 19087 10385 1 20 . 1 1 28 28 VAL CB C 28 32.681 32.681 32.673 0.008 19087 10386 1 20 . 1 1 29 29 LYS N N 29 126.858 126.858 129.166 -2.308 19087 10387 1 20 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.711 0.001 19087 10388 1 20 . 1 1 29 29 LYS CA C 29 54.135 54.135 53.865 0.270 19087 10389 1 20 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.518 0.128 19087 10390 1 20 . 1 1 29 29 LYS H H 29 8.346 8.346 8.503 -0.157 19087 10391 1 20 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.522 -0.120 19087 10392 1 20 . 1 1 30 30 PRO C C 30 176.435 176.435 176.012 0.423 19087 10393 1 20 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.932 -0.156 19087 10394 1 20 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.947 -0.793 19087 10395 1 20 . 1 1 31 31 ALA N N 31 124.680 124.680 125.034 -0.354 19087 10396 1 20 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.944 -0.597 19087 10397 1 20 . 1 1 31 31 ALA C C 31 176.860 176.860 176.571 0.289 19087 10398 1 20 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.873 0.443 19087 10399 1 20 . 1 1 31 31 ALA CB C 31 19.398 19.398 20.093 -0.695 19087 10400 1 20 . 1 1 31 31 ALA H H 31 8.324 8.324 8.636 -0.312 19087 10401 1 20 . 1 1 32 32 ALA N N 32 125.011 125.011 122.507 2.504 19087 10402 1 20 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.487 0.249 19087 10403 1 20 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.870 -0.383 19087 10404 1 20 . 1 1 32 32 ALA CB C 32 18.203 18.203 19.035 -0.832 19087 10405 1 20 . 1 1 32 32 ALA H H 32 8.246 8.246 8.297 -0.051 19087 10406 1 20 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.608 -0.142 19087 10407 1 20 . 1 1 33 33 PRO C C 33 176.834 176.834 176.197 0.637 19087 10408 1 20 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.867 -0.042 19087 10409 1 20 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.205 -0.210 19087 10410 1 20 . 1 1 34 34 ARG N N 34 121.170 121.170 122.475 -1.305 19087 10411 1 20 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.293 0.093 19087 10412 1 20 . 1 1 34 34 ARG C C 34 175.853 175.853 176.528 -0.675 19087 10413 1 20 . 1 1 34 34 ARG CA C 34 55.912 55.912 56.633 -0.722 19087 10414 1 20 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.502 0.170 19087 10415 1 20 . 1 1 34 34 ARG H H 34 8.349 8.349 8.418 -0.069 19087 10416 1 20 . 1 1 35 35 ALA N N 35 124.878 124.878 120.447 4.431 19087 10417 1 20 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.566 0.046 19087 10418 1 20 . 1 1 35 35 ALA C C 35 176.170 176.170 175.045 1.125 19087 10419 1 20 . 1 1 35 35 ALA CA C 35 51.566 51.566 51.249 0.317 19087 10420 1 20 . 1 1 35 35 ALA CB C 35 20.722 20.722 21.655 -0.933 19087 10421 1 20 . 1 1 35 35 ALA H H 35 8.008 8.008 8.006 0.002 19087 10422 1 20 . 1 1 36 36 GLU N N 36 119.776 119.776 120.676 -0.900 19087 10423 1 20 . 1 1 36 36 GLU HA H 36 4.431 4.431 5.087 -0.656 19087 10424 1 20 . 1 1 36 36 GLU C C 36 174.618 174.618 175.760 -1.142 19087 10425 1 20 . 1 1 36 36 GLU CA C 36 56.472 56.472 56.035 0.437 19087 10426 1 20 . 1 1 36 36 GLU CB C 36 31.124 31.124 29.658 1.466 19087 10427 1 20 . 1 1 36 36 GLU H H 36 8.495 8.495 8.682 -0.187 19087 10428 1 20 . 1 1 37 37 VAL N N 37 119.808 119.808 124.059 -4.251 19087 10429 1 20 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.755 0.147 19087 10430 1 20 . 1 1 37 37 VAL C C 37 174.285 174.285 174.683 -0.398 19087 10431 1 20 . 1 1 37 37 VAL CA C 37 60.639 60.639 60.658 -0.019 19087 10432 1 20 . 1 1 37 37 VAL CB C 37 34.612 34.612 34.430 0.182 19087 10433 1 20 . 1 1 37 37 VAL H H 37 8.494 8.494 8.792 -0.298 19087 10434 1 20 . 1 1 38 38 ARG N N 38 124.534 124.534 125.067 -0.533 19087 10435 1 20 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.444 -0.518 19087 10436 1 20 . 1 1 38 38 ARG C C 38 174.239 174.239 175.021 -0.782 19087 10437 1 20 . 1 1 38 38 ARG CA C 38 55.092 55.092 54.384 0.708 19087 10438 1 20 . 1 1 38 38 ARG CB C 38 34.190 34.190 33.175 1.015 19087 10439 1 20 . 1 1 38 38 ARG H H 38 8.652 8.652 9.055 -0.403 19087 10440 1 20 . 1 1 39 39 VAL N N 39 121.231 121.231 125.995 -4.764 19087 10441 1 20 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.767 0.031 19087 10442 1 20 . 1 1 39 39 VAL C C 39 173.357 173.357 174.927 -1.570 19087 10443 1 20 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.389 -0.751 19087 10444 1 20 . 1 1 39 39 VAL CB C 39 34.294 34.294 31.448 2.846 19087 10445 1 20 . 1 1 39 39 VAL H H 39 7.934 7.934 8.775 -0.841 19087 10446 1 20 . 1 1 40 40 TYR N N 40 122.262 122.262 125.686 -3.424 19087 10447 1 20 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.254 -0.100 19087 10448 1 20 . 1 1 40 40 TYR C C 40 175.124 175.124 173.780 1.344 19087 10449 1 20 . 1 1 40 40 TYR CA C 40 55.540 55.540 54.074 1.466 19087 10450 1 20 . 1 1 40 40 TYR CB C 40 42.223 42.223 41.158 1.065 19087 10451 1 20 . 1 1 40 40 TYR H H 40 9.343 9.343 8.771 0.572 19087 10452 1 20 . 1 1 41 41 ASN N N 41 121.684 121.684 119.880 1.804 19087 10453 1 20 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.087 -0.055 19087 10454 1 20 . 1 1 41 41 ASN C C 41 176.301 176.301 175.236 1.065 19087 10455 1 20 . 1 1 41 41 ASN CA C 41 52.635 52.635 53.298 -0.663 19087 10456 1 20 . 1 1 41 41 ASN CB C 41 39.836 39.836 39.720 0.116 19087 10457 1 20 . 1 1 41 41 ASN H H 41 9.287 9.287 8.421 0.866 19087 10458 1 20 . 1 1 42 42 ILE N N 42 119.462 119.462 123.930 -4.468 19087 10459 1 20 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.707 0.743 19087 10460 1 20 . 1 1 42 42 ILE C C 42 176.450 176.450 176.394 0.056 19087 10461 1 20 . 1 1 42 42 ILE CA C 42 60.513 60.513 61.600 -1.087 19087 10462 1 20 . 1 1 42 42 ILE CB C 42 38.597 38.597 39.377 -0.780 19087 10463 1 20 . 1 1 42 42 ILE H H 42 8.541 8.541 8.369 0.172 19087 10464 1 20 . 1 1 43 43 SER N N 43 118.212 118.212 113.183 5.029 19087 10465 1 20 . 1 1 43 43 SER HA H 43 4.729 4.729 4.525 0.204 19087 10466 1 20 . 1 1 43 43 SER CA C 43 58.598 58.598 59.023 -0.424 19087 10467 1 20 . 1 1 43 43 SER CB C 43 66.262 66.262 64.512 1.750 19087 10468 1 20 . 1 1 43 43 SER H H 43 8.142 8.142 7.580 0.562 19087 10469 1 20 . 1 1 44 44 GLY C C 44 174.414 174.414 174.313 0.101 19087 10470 1 20 . 1 1 44 44 GLY CA C 44 45.379 45.379 44.972 0.407 19087 10471 1 20 . 1 1 45 45 THR N N 45 116.371 116.371 119.676 -3.305 19087 10472 1 20 . 1 1 45 45 THR HA H 45 4.384 4.384 4.491 -0.107 19087 10473 1 20 . 1 1 45 45 THR CA C 45 61.814 61.814 60.508 1.306 19087 10474 1 20 . 1 1 45 45 THR CB C 45 69.787 69.787 67.951 1.836 19087 10475 1 20 . 1 1 45 45 THR H H 45 8.298 8.298 8.448 -0.150 19087 10476 1 20 . 1 1 47 47 GLY C C 47 175.691 175.691 175.490 0.201 19087 10477 1 20 . 1 1 47 47 GLY CA C 47 46.191 46.191 46.213 -0.022 19087 10478 1 20 . 1 1 48 48 ALA N N 48 121.957 121.957 124.338 -2.381 19087 10479 1 20 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.117 -0.088 19087 10480 1 20 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.379 1.023 19087 10481 1 20 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.368 0.124 19087 10482 1 20 . 1 1 48 48 ALA H H 48 7.511 7.511 8.225 -0.714 19087 10483 1 20 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.932 0.052 19087 10484 1 20 . 1 1 49 49 ALA C C 49 178.073 178.073 179.078 -1.005 19087 10485 1 20 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.928 -0.067 19087 10486 1 20 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.390 0.299 19087 10487 1 20 . 1 1 50 50 ALA N N 50 122.654 122.654 119.371 3.283 19087 10488 1 20 . 1 1 50 50 ALA HA H 50 3.989 3.989 3.951 0.038 19087 10489 1 20 . 1 1 50 50 ALA C C 50 179.642 179.642 179.285 0.357 19087 10490 1 20 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.467 1.384 19087 10491 1 20 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.087 -0.299 19087 10492 1 20 . 1 1 50 50 ALA H H 50 7.965 7.965 8.177 -0.212 19087 10493 1 20 . 1 1 51 51 ARG N N 51 116.659 116.659 118.098 -1.439 19087 10494 1 20 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.125 0.066 19087 10495 1 20 . 1 1 51 51 ARG C C 51 179.931 179.931 178.325 1.606 19087 10496 1 20 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.718 0.794 19087 10497 1 20 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.989 0.474 19087 10498 1 20 . 1 1 51 51 ARG H H 51 7.982 7.982 7.902 0.080 19087 10499 1 20 . 1 1 52 52 THR N N 52 117.745 117.745 113.145 4.600 19087 10500 1 20 . 1 1 52 52 THR HA H 52 4.162 4.162 4.082 0.080 19087 10501 1 20 . 1 1 52 52 THR C C 52 175.626 175.626 176.099 -0.473 19087 10502 1 20 . 1 1 52 52 THR CA C 52 68.565 68.565 65.643 2.922 19087 10503 1 20 . 1 1 52 52 THR CB C 52 70.787 70.787 68.229 2.558 19087 10504 1 20 . 1 1 52 52 THR H H 52 7.661 7.661 7.639 0.022 19087 10505 1 20 . 1 1 53 53 ALA N N 53 123.939 123.939 123.270 0.669 19087 10506 1 20 . 1 1 53 53 ALA HA H 53 3.886 3.886 3.936 -0.050 19087 10507 1 20 . 1 1 53 53 ALA C C 53 179.013 179.013 178.609 0.404 19087 10508 1 20 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.659 1.538 19087 10509 1 20 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.320 0.397 19087 10510 1 20 . 1 1 53 53 ALA H H 53 8.805 8.805 7.588 1.217 19087 10511 1 20 . 1 1 54 54 ASP N N 54 118.351 118.351 117.937 0.414 19087 10512 1 20 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.317 0.115 19087 10513 1 20 . 1 1 54 54 ASP C C 54 179.376 179.376 178.131 1.245 19087 10514 1 20 . 1 1 54 54 ASP CA C 54 58.007 58.007 56.965 1.042 19087 10515 1 20 . 1 1 54 54 ASP CB C 54 40.242 40.242 40.937 -0.695 19087 10516 1 20 . 1 1 54 54 ASP H H 54 8.327 8.327 7.795 0.532 19087 10517 1 20 . 1 1 55 55 ARG N N 55 121.120 121.120 119.048 2.072 19087 10518 1 20 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.112 0.063 19087 10519 1 20 . 1 1 55 55 ARG C C 55 179.550 179.550 178.110 1.440 19087 10520 1 20 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.719 0.566 19087 10521 1 20 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.087 0.233 19087 10522 1 20 . 1 1 55 55 ARG H H 55 7.723 7.723 7.297 0.426 19087 10523 1 20 . 1 1 56 56 LEU N N 56 118.659 118.659 119.051 -0.392 19087 10524 1 20 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.050 0.282 19087 10525 1 20 . 1 1 56 56 LEU C C 56 179.305 179.305 178.383 0.922 19087 10526 1 20 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.695 -0.258 19087 10527 1 20 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.710 -0.423 19087 10528 1 20 . 1 1 56 56 LEU H H 56 8.215 8.215 7.525 0.690 19087 10529 1 20 . 1 1 57 57 LYS N N 57 122.713 122.713 118.949 3.764 19087 10530 1 20 . 1 1 57 57 LYS HA H 57 4.513 4.513 3.452 1.061 19087 10531 1 20 . 1 1 57 57 LYS C C 57 181.436 181.436 177.739 3.697 19087 10532 1 20 . 1 1 57 57 LYS CA C 57 60.004 60.004 58.708 1.296 19087 10533 1 20 . 1 1 57 57 LYS CB C 57 32.437 32.437 31.554 0.883 19087 10534 1 20 . 1 1 57 57 LYS H H 57 8.914 8.914 7.726 1.188 19087 10535 1 20 . 1 1 58 58 ALA N N 58 122.423 122.423 121.059 1.364 19087 10536 1 20 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.363 -0.153 19087 10537 1 20 . 1 1 58 58 ALA C C 58 178.516 178.516 178.417 0.099 19087 10538 1 20 . 1 1 58 58 ALA CA C 58 55.069 55.069 53.516 1.553 19087 10539 1 20 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.574 -0.665 19087 10540 1 20 . 1 1 58 58 ALA H H 58 8.026 8.026 7.416 0.610 19087 10541 1 20 . 1 1 59 59 ALA N N 59 118.347 118.347 119.978 -1.631 19087 10542 1 20 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.428 0.058 19087 10543 1 20 . 1 1 59 59 ALA C C 59 176.797 176.797 177.381 -0.584 19087 10544 1 20 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.256 -0.498 19087 10545 1 20 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.989 -0.620 19087 10546 1 20 . 1 1 59 59 ALA H H 59 7.413 7.413 7.567 -0.154 19087 10547 1 20 . 1 1 60 60 GLY N N 60 104.918 104.918 105.723 -0.805 19087 10548 1 20 . 1 1 60 60 GLY C C 60 174.741 174.741 173.653 1.088 19087 10549 1 20 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.668 0.568 19087 10550 1 20 . 1 1 60 60 GLY H H 60 7.694 7.694 7.930 -0.236 19087 10551 1 20 . 1 1 61 61 PHE N N 61 118.862 118.862 118.676 0.186 19087 10552 1 20 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.671 -0.176 19087 10553 1 20 . 1 1 61 61 PHE C C 61 175.204 175.204 175.189 0.015 19087 10554 1 20 . 1 1 61 61 PHE CA C 61 58.483 58.483 55.831 2.652 19087 10555 1 20 . 1 1 61 61 PHE CB C 61 39.163 39.163 38.847 0.316 19087 10556 1 20 . 1 1 61 61 PHE H H 61 7.879 7.879 8.136 -0.257 19087 10557 1 20 . 1 1 62 62 THR N N 62 121.319 121.319 117.355 3.964 19087 10558 1 20 . 1 1 62 62 THR HA H 62 4.303 4.303 4.024 0.279 19087 10559 1 20 . 1 1 62 62 THR C C 62 173.073 173.073 173.777 -0.704 19087 10560 1 20 . 1 1 62 62 THR CA C 62 69.389 69.389 65.002 4.387 19087 10561 1 20 . 1 1 62 62 THR CB C 62 62.478 62.478 69.516 -7.038 19087 10562 1 20 . 1 1 62 62 THR H H 62 9.493 9.493 8.387 1.106 19087 10563 1 20 . 1 1 63 63 VAL N N 63 128.406 128.406 119.897 8.509 19087 10564 1 20 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.560 0.100 19087 10565 1 20 . 1 1 63 63 VAL C C 63 177.267 177.267 174.133 3.134 19087 10566 1 20 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.761 -1.661 19087 10567 1 20 . 1 1 63 63 VAL CB C 63 32.572 32.572 35.819 -3.247 19087 10568 1 20 . 1 1 63 63 VAL H H 63 8.293 8.293 7.497 0.796 19087 10569 1 20 . 1 1 64 64 THR N N 64 118.495 118.495 120.525 -2.030 19087 10570 1 20 . 1 1 64 64 THR HA H 64 4.350 4.350 5.670 -1.320 19087 10571 1 20 . 1 1 64 64 THR CA C 64 62.182 62.182 60.153 2.029 19087 10572 1 20 . 1 1 64 64 THR CB C 64 69.143 69.143 69.891 -0.748 19087 10573 1 20 . 1 1 64 64 THR H H 64 8.770 8.770 8.574 0.196 19087 10574 1 20 . 1 1 65 65 ASP HA H 65 4.301 4.301 5.028 -0.727 19087 10575 1 20 . 1 1 65 65 ASP C C 65 173.778 173.778 174.237 -0.459 19087 10576 1 20 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.199 1.089 19087 10577 1 20 . 1 1 65 65 ASP CB C 65 44.018 44.018 44.226 -0.208 19087 10578 1 20 . 1 1 66 66 VAL N N 66 121.705 121.705 119.359 2.346 19087 10579 1 20 . 1 1 66 66 VAL HA H 66 4.863 4.863 5.512 -0.649 19087 10580 1 20 . 1 1 66 66 VAL C C 66 176.234 176.234 175.124 1.110 19087 10581 1 20 . 1 1 66 66 VAL CA C 66 60.597 60.597 59.733 0.864 19087 10582 1 20 . 1 1 66 66 VAL CB C 66 34.120 34.120 35.516 -1.395 19087 10583 1 20 . 1 1 66 66 VAL H H 66 7.849 7.849 8.400 -0.551 19087 10584 1 20 . 1 1 67 67 GLY N N 67 112.050 112.050 111.920 0.130 19087 10585 1 20 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.773 -0.155 19087 10586 1 20 . 1 1 67 67 GLY H H 67 8.151 8.151 8.640 -0.489 19087 10587 1 20 . 1 1 68 68 ASN C C 68 173.771 173.771 173.740 0.031 19087 10588 1 20 . 1 1 68 68 ASN CA C 68 53.062 53.062 53.080 -0.018 19087 10589 1 20 . 1 1 68 68 ASN CB C 68 39.832 39.832 40.523 -0.691 19087 10590 1 20 . 1 1 69 69 LEU N N 69 121.003 121.003 123.038 -2.035 19087 10591 1 20 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.743 -0.206 19087 10592 1 20 . 1 1 69 69 LEU C C 69 174.751 174.751 175.700 -0.949 19087 10593 1 20 . 1 1 69 69 LEU CA C 69 53.925 53.925 53.509 0.416 19087 10594 1 20 . 1 1 69 69 LEU CB C 69 47.313 47.313 45.888 1.425 19087 10595 1 20 . 1 1 69 69 LEU H H 69 8.276 8.276 8.686 -0.410 19087 10596 1 20 . 1 1 70 70 SER N N 70 116.269 116.269 116.767 -0.498 19087 10597 1 20 . 1 1 70 70 SER C C 70 173.777 173.777 173.627 0.150 19087 10598 1 20 . 1 1 70 70 SER CA C 70 56.923 56.923 57.366 -0.443 19087 10599 1 20 . 1 1 70 70 SER CB C 70 63.219 63.219 63.085 0.134 19087 10600 1 20 . 1 1 70 70 SER H H 70 8.122 8.122 8.502 -0.380 19087 10601 1 20 . 1 1 71 71 LEU N N 71 127.999 127.999 126.784 1.215 19087 10602 1 20 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.860 -0.104 19087 10603 1 20 . 1 1 71 71 LEU CA C 71 52.165 52.165 51.552 0.613 19087 10604 1 20 . 1 1 71 71 LEU CB C 71 44.179 44.179 44.200 -0.021 19087 10605 1 20 . 1 1 71 71 LEU H H 71 8.293 8.293 8.447 -0.154 19087 10606 1 20 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.480 -0.120 19087 10607 1 20 . 1 1 72 72 PRO C C 72 176.922 176.922 176.781 0.141 19087 10608 1 20 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.041 0.203 19087 10609 1 20 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.884 0.582 19087 10610 1 20 . 1 1 73 73 ASP N N 73 115.106 115.106 118.512 -3.406 19087 10611 1 20 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.593 -0.035 19087 10612 1 20 . 1 1 73 73 ASP C C 73 175.809 175.809 175.849 -0.040 19087 10613 1 20 . 1 1 73 73 ASP CA C 73 55.145 55.145 55.665 -0.520 19087 10614 1 20 . 1 1 73 73 ASP CB C 73 40.778 40.778 40.950 -0.172 19087 10615 1 20 . 1 1 73 73 ASP H H 73 8.431 8.431 8.379 0.052 19087 10616 1 20 . 1 1 74 74 VAL N N 74 122.218 122.218 119.310 2.908 19087 10617 1 20 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.300 -0.334 19087 10618 1 20 . 1 1 74 74 VAL C C 74 175.339 175.339 174.660 0.679 19087 10619 1 20 . 1 1 74 74 VAL CA C 74 63.871 63.871 60.368 3.503 19087 10620 1 20 . 1 1 74 74 VAL CB C 74 32.075 32.075 33.027 -0.952 19087 10621 1 20 . 1 1 74 74 VAL H H 74 7.468 7.468 7.398 0.070 19087 10622 1 20 . 1 1 75 75 ALA N N 75 128.630 128.630 129.597 -0.967 19087 10623 1 20 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.406 0.019 19087 10624 1 20 . 1 1 75 75 ALA C C 75 176.404 176.404 176.475 -0.071 19087 10625 1 20 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.462 -0.035 19087 10626 1 20 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.658 0.813 19087 10627 1 20 . 1 1 75 75 ALA H H 75 8.581 8.581 8.511 0.070 19087 10628 1 20 . 1 1 76 76 ALA N N 76 120.481 120.481 121.564 -1.083 19087 10629 1 20 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.339 0.318 19087 10630 1 20 . 1 1 76 76 ALA C C 76 175.925 175.925 177.454 -1.529 19087 10631 1 20 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.115 -0.120 19087 10632 1 20 . 1 1 76 76 ALA CB C 76 22.365 22.365 19.686 2.679 19087 10633 1 20 . 1 1 76 76 ALA H H 76 7.438 7.438 7.875 -0.437 19087 10634 1 20 . 1 1 77 77 THR N N 77 121.464 121.464 118.106 3.358 19087 10635 1 20 . 1 1 77 77 THR HA H 77 4.734 4.734 4.383 0.351 19087 10636 1 20 . 1 1 77 77 THR C C 77 174.143 174.143 173.823 0.320 19087 10637 1 20 . 1 1 77 77 THR CA C 77 63.914 63.914 62.976 0.938 19087 10638 1 20 . 1 1 77 77 THR CB C 77 70.070 70.070 68.627 1.443 19087 10639 1 20 . 1 1 77 77 THR H H 77 8.390 8.390 8.462 -0.072 19087 10640 1 20 . 1 1 78 78 THR N N 78 123.538 123.538 125.088 -1.550 19087 10641 1 20 . 1 1 78 78 THR HA H 78 4.644 4.644 5.040 -0.396 19087 10642 1 20 . 1 1 78 78 THR C C 78 181.684 181.684 173.029 8.655 19087 10643 1 20 . 1 1 78 78 THR CA C 78 62.511 62.511 61.287 1.224 19087 10644 1 20 . 1 1 78 78 THR CB C 78 72.846 72.846 71.972 0.873 19087 10645 1 20 . 1 1 78 78 THR H H 78 8.355 8.355 8.644 -0.289 19087 10646 1 20 . 1 1 79 79 VAL N N 79 126.455 126.455 127.211 -0.756 19087 10647 1 20 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.225 0.371 19087 10648 1 20 . 1 1 79 79 VAL C C 79 173.702 173.702 174.481 -0.779 19087 10649 1 20 . 1 1 79 79 VAL CA C 79 60.385 60.385 61.194 -0.809 19087 10650 1 20 . 1 1 79 79 VAL CB C 79 33.089 33.089 31.144 1.945 19087 10651 1 20 . 1 1 79 79 VAL H H 79 8.685 8.685 8.683 0.002 19087 10652 1 20 . 1 1 80 80 TYR N N 80 123.574 123.574 130.647 -7.073 19087 10653 1 20 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.191 1.209 19087 10654 1 20 . 1 1 80 80 TYR C C 80 176.410 176.410 174.032 2.378 19087 10655 1 20 . 1 1 80 80 TYR CA C 80 56.608 56.608 55.804 0.804 19087 10656 1 20 . 1 1 80 80 TYR CB C 80 42.567 42.567 40.882 1.685 19087 10657 1 20 . 1 1 80 80 TYR H H 80 9.702 9.702 8.675 1.027 19087 10658 1 20 . 1 1 81 81 TYR N N 81 117.754 117.754 121.300 -3.546 19087 10659 1 20 . 1 1 81 81 TYR HA H 81 5.474 5.474 4.324 1.150 19087 10660 1 20 . 1 1 81 81 TYR C C 81 173.237 173.237 172.830 0.407 19087 10661 1 20 . 1 1 81 81 TYR CA C 81 55.498 55.498 56.045 -0.548 19087 10662 1 20 . 1 1 81 81 TYR CB C 81 42.249 42.249 39.842 2.407 19087 10663 1 20 . 1 1 81 81 TYR H H 81 8.221 8.221 7.861 0.360 19087 10664 1 20 . 1 1 82 82 THR N N 82 111.056 111.056 113.951 -2.895 19087 10665 1 20 . 1 1 82 82 THR HA H 82 4.724 4.724 4.612 0.112 19087 10666 1 20 . 1 1 82 82 THR C C 82 174.521 174.521 173.337 1.184 19087 10667 1 20 . 1 1 82 82 THR CA C 82 60.896 60.896 60.098 0.798 19087 10668 1 20 . 1 1 82 82 THR CB C 82 71.506 71.506 71.827 -0.321 19087 10669 1 20 . 1 1 82 82 THR H H 82 8.245 8.245 7.995 0.250 19087 10670 1 20 . 1 1 83 83 GLU N N 83 117.058 117.058 119.828 -2.770 19087 10671 1 20 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.329 0.148 19087 10672 1 20 . 1 1 83 83 GLU C C 83 176.152 176.152 176.392 -0.240 19087 10673 1 20 . 1 1 83 83 GLU CA C 83 57.179 57.179 56.294 0.885 19087 10674 1 20 . 1 1 83 83 GLU CB C 83 28.714 28.714 28.892 -0.178 19087 10675 1 20 . 1 1 83 83 GLU H H 83 8.772 8.772 8.693 0.079 19087 10676 1 20 . 1 1 84 84 VAL N N 84 123.039 123.039 121.866 1.173 19087 10677 1 20 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.693 0.201 19087 10678 1 20 . 1 1 84 84 VAL C C 84 177.170 177.170 176.197 0.973 19087 10679 1 20 . 1 1 84 84 VAL CA C 84 63.678 63.678 64.355 -0.677 19087 10680 1 20 . 1 1 84 84 VAL CB C 84 32.474 32.474 30.341 2.133 19087 10681 1 20 . 1 1 84 84 VAL H H 84 7.818 7.818 7.734 0.084 19087 10682 1 20 . 1 1 85 85 GLU N N 85 129.351 129.351 127.267 2.084 19087 10683 1 20 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.912 -0.020 19087 10684 1 20 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.521 0.484 19087 10685 1 20 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.802 0.721 19087 10686 1 20 . 1 1 85 85 GLU H H 85 8.796 8.796 8.594 0.202 19087 10687 1 20 . 1 1 86 86 GLY C C 86 176.321 176.321 174.668 1.653 19087 10688 1 20 . 1 1 86 86 GLY CA C 86 45.876 45.876 44.984 0.892 19087 10689 1 20 . 1 1 87 87 GLU N N 87 121.773 121.773 122.428 -0.655 19087 10690 1 20 . 1 1 87 87 GLU HA H 87 3.948 3.948 3.958 -0.010 19087 10691 1 20 . 1 1 87 87 GLU C C 87 178.276 178.276 177.858 0.418 19087 10692 1 20 . 1 1 87 87 GLU CA C 87 61.762 61.762 59.874 1.888 19087 10693 1 20 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.750 0.346 19087 10694 1 20 . 1 1 87 87 GLU H H 87 8.133 8.133 7.848 0.285 19087 10695 1 20 . 1 1 88 88 ARG N N 88 121.466 121.466 118.636 2.830 19087 10696 1 20 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.087 0.275 19087 10697 1 20 . 1 1 88 88 ARG C C 88 177.229 177.229 177.628 -0.399 19087 10698 1 20 . 1 1 88 88 ARG CA C 88 59.493 59.493 59.175 0.318 19087 10699 1 20 . 1 1 88 88 ARG CB C 88 29.059 29.059 28.969 0.090 19087 10700 1 20 . 1 1 88 88 ARG H H 88 9.132 9.132 7.921 1.211 19087 10701 1 20 . 1 1 89 89 ALA N N 89 119.527 119.527 121.167 -1.640 19087 10702 1 20 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.177 0.006 19087 10703 1 20 . 1 1 89 89 ALA C C 89 181.949 181.949 179.019 2.930 19087 10704 1 20 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.062 1.220 19087 10705 1 20 . 1 1 89 89 ALA CB C 89 18.128 18.128 17.776 0.352 19087 10706 1 20 . 1 1 89 89 ALA H H 89 8.388 8.388 8.268 0.120 19087 10707 1 20 . 1 1 90 90 THR N N 90 115.279 115.279 114.682 0.597 19087 10708 1 20 . 1 1 90 90 THR HA H 90 4.146 4.146 4.076 0.070 19087 10709 1 20 . 1 1 90 90 THR C C 90 175.118 175.118 175.905 -0.787 19087 10710 1 20 . 1 1 90 90 THR CA C 90 66.607 66.607 65.459 1.148 19087 10711 1 20 . 1 1 90 90 THR CB C 90 68.971 68.971 68.865 0.106 19087 10712 1 20 . 1 1 90 90 THR H H 90 7.640 7.640 7.213 0.427 19087 10713 1 20 . 1 1 91 91 ALA N N 91 124.784 124.784 122.798 1.986 19087 10714 1 20 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.088 -0.319 19087 10715 1 20 . 1 1 91 91 ALA C C 91 178.546 178.546 178.271 0.275 19087 10716 1 20 . 1 1 91 91 ALA CA C 91 55.552 55.552 54.046 1.506 19087 10717 1 20 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.723 0.530 19087 10718 1 20 . 1 1 91 91 ALA H H 91 9.095 9.095 7.833 1.262 19087 10719 1 20 . 1 1 92 92 ASP N N 92 118.310 118.310 120.138 -1.828 19087 10720 1 20 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.180 0.237 19087 10721 1 20 . 1 1 92 92 ASP C C 92 179.053 179.053 177.807 1.246 19087 10722 1 20 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.677 -0.035 19087 10723 1 20 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.607 -0.178 19087 10724 1 20 . 1 1 92 92 ASP H H 92 8.898 8.898 7.856 1.042 19087 10725 1 20 . 1 1 93 93 ALA N N 93 122.980 122.980 120.425 2.555 19087 10726 1 20 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.049 0.225 19087 10727 1 20 . 1 1 93 93 ALA C C 93 180.933 180.933 178.860 2.073 19087 10728 1 20 . 1 1 93 93 ALA CA C 93 55.575 55.575 54.809 0.766 19087 10729 1 20 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.588 -0.412 19087 10730 1 20 . 1 1 93 93 ALA H H 93 7.424 7.424 7.597 -0.173 19087 10731 1 20 . 1 1 94 94 VAL N N 94 123.968 123.968 118.704 5.264 19087 10732 1 20 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.783 -0.839 19087 10733 1 20 . 1 1 94 94 VAL C C 94 178.269 178.269 178.072 0.197 19087 10734 1 20 . 1 1 94 94 VAL CA C 94 66.399 66.399 66.370 0.029 19087 10735 1 20 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.782 -1.079 19087 10736 1 20 . 1 1 94 94 VAL H H 94 8.808 8.808 7.176 1.632 19087 10737 1 20 . 1 1 95 95 GLY N N 95 108.282 108.282 106.560 1.722 19087 10738 1 20 . 1 1 95 95 GLY C C 95 176.440 176.440 175.814 0.626 19087 10739 1 20 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.048 0.871 19087 10740 1 20 . 1 1 95 95 GLY H H 95 9.355 9.355 8.053 1.302 19087 10741 1 20 . 1 1 96 96 ARG N N 96 120.852 120.852 118.957 1.895 19087 10742 1 20 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.228 -0.025 19087 10743 1 20 . 1 1 96 96 ARG C C 96 179.101 179.101 177.451 1.650 19087 10744 1 20 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.258 0.952 19087 10745 1 20 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.389 0.145 19087 10746 1 20 . 1 1 96 96 ARG H H 96 8.112 8.112 7.675 0.437 19087 10747 1 20 . 1 1 97 97 THR N N 97 117.170 117.170 114.637 2.533 19087 10748 1 20 . 1 1 97 97 THR HA H 97 3.986 3.986 4.241 -0.255 19087 10749 1 20 . 1 1 97 97 THR C C 97 175.451 175.451 175.359 0.092 19087 10750 1 20 . 1 1 97 97 THR CA C 97 66.867 66.867 65.192 1.675 19087 10751 1 20 . 1 1 97 97 THR CB C 97 68.205 68.205 69.192 -0.987 19087 10752 1 20 . 1 1 97 97 THR H H 97 7.854 7.854 7.632 0.222 19087 10753 1 20 . 1 1 98 98 LEU N N 98 115.294 115.294 121.588 -6.294 19087 10754 1 20 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.393 -0.088 19087 10755 1 20 . 1 1 98 98 LEU C C 98 177.537 177.537 177.388 0.149 19087 10756 1 20 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.294 -0.711 19087 10757 1 20 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.980 0.393 19087 10758 1 20 . 1 1 98 98 LEU H H 98 7.855 7.855 7.751 0.104 19087 10759 1 20 . 1 1 99 99 GLY N N 99 111.931 111.931 107.528 4.403 19087 10760 1 20 . 1 1 99 99 GLY C C 99 173.997 173.997 173.650 0.347 19087 10761 1 20 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.081 1.912 19087 10762 1 20 . 1 1 99 99 GLY H H 99 8.101 8.101 7.901 0.200 19087 10763 1 20 . 1 1 100 100 ALA N N 100 121.739 121.739 121.754 -0.015 19087 10764 1 20 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.576 0.161 19087 10765 1 20 . 1 1 100 100 ALA C C 100 175.351 175.351 175.852 -0.501 19087 10766 1 20 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.583 -0.177 19087 10767 1 20 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.728 2.231 19087 10768 1 20 . 1 1 100 100 ALA H H 100 8.033 8.033 7.690 0.343 19087 10769 1 20 . 1 1 101 101 ALA N N 101 122.895 122.895 125.459 -2.564 19087 10770 1 20 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.337 -0.128 19087 10771 1 20 . 1 1 101 101 ALA C C 101 175.179 175.179 176.651 -1.472 19087 10772 1 20 . 1 1 101 101 ALA CA C 101 52.737 52.737 52.184 0.553 19087 10773 1 20 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.143 0.671 19087 10774 1 20 . 1 1 101 101 ALA H H 101 7.782 7.782 8.203 -0.421 19087 10775 1 20 . 1 1 102 102 VAL N N 102 120.035 120.035 121.279 -1.244 19087 10776 1 20 . 1 1 102 102 VAL HA H 102 5.054 5.054 4.797 0.257 19087 10777 1 20 . 1 1 102 102 VAL C C 102 176.587 176.587 175.755 0.832 19087 10778 1 20 . 1 1 102 102 VAL CA C 102 60.988 60.988 61.424 -0.436 19087 10779 1 20 . 1 1 102 102 VAL CB C 102 33.725 33.725 31.637 2.088 19087 10780 1 20 . 1 1 102 102 VAL H H 102 7.872 7.872 8.198 -0.326 19087 10781 1 20 . 1 1 103 103 GLU N N 103 126.469 126.469 128.405 -1.936 19087 10782 1 20 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.611 0.268 19087 10783 1 20 . 1 1 103 103 GLU C C 103 174.343 174.343 174.491 -0.148 19087 10784 1 20 . 1 1 103 103 GLU CA C 103 54.351 54.351 55.095 -0.744 19087 10785 1 20 . 1 1 103 103 GLU CB C 103 35.595 35.595 33.585 2.010 19087 10786 1 20 . 1 1 103 103 GLU H H 103 9.215 9.215 8.538 0.677 19087 10787 1 20 . 1 1 104 104 LEU N N 104 123.109 123.109 121.887 1.222 19087 10788 1 20 . 1 1 104 104 LEU HA H 104 3.591 3.591 4.268 -0.677 19087 10789 1 20 . 1 1 104 104 LEU C C 104 178.379 178.379 177.836 0.543 19087 10790 1 20 . 1 1 104 104 LEU CA C 104 54.920 54.920 54.247 0.673 19087 10791 1 20 . 1 1 104 104 LEU CB C 104 42.910 42.910 43.537 -0.627 19087 10792 1 20 . 1 1 104 104 LEU H H 104 8.273 8.273 8.275 -0.002 19087 10793 1 20 . 1 1 105 105 ARG N N 105 119.790 119.790 119.634 0.156 19087 10794 1 20 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.593 -0.332 19087 10795 1 20 . 1 1 105 105 ARG C C 105 177.043 177.043 176.753 0.290 19087 10796 1 20 . 1 1 105 105 ARG CA C 105 59.310 59.310 57.040 2.270 19087 10797 1 20 . 1 1 105 105 ARG CB C 105 32.077 32.077 29.870 2.207 19087 10798 1 20 . 1 1 105 105 ARG H H 105 8.300 8.300 8.547 -0.247 19087 10799 1 20 . 1 1 106 106 LEU N N 106 122.431 122.431 120.861 1.570 19087 10800 1 20 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.330 0.068 19087 10801 1 20 . 1 1 106 106 LEU CA C 106 54.701 54.701 58.435 -3.734 19087 10802 1 20 . 1 1 106 106 LEU CB C 106 42.469 42.469 39.186 3.283 19087 10803 1 20 . 1 1 106 106 LEU H H 106 8.026 8.026 8.223 -0.197 19087 10804 1 20 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.504 -0.265 19087 10805 1 20 . 1 1 107 107 PRO C C 107 179.627 179.627 178.494 1.133 19087 10806 1 20 . 1 1 107 107 PRO CA C 107 65.898 65.898 64.613 1.285 19087 10807 1 20 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.652 -0.133 19087 10808 1 20 . 1 1 108 108 GLU N N 108 116.744 116.744 118.690 -1.946 19087 10809 1 20 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.182 -0.084 19087 10810 1 20 . 1 1 108 108 GLU C C 108 176.957 176.957 177.639 -0.682 19087 10811 1 20 . 1 1 108 108 GLU CA C 108 59.584 59.584 57.515 2.069 19087 10812 1 20 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.392 0.764 19087 10813 1 20 . 1 1 108 108 GLU H H 108 9.605 9.605 8.605 1.000 19087 10814 1 20 . 1 1 109 109 LEU N N 109 116.575 116.575 120.574 -3.999 19087 10815 1 20 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.105 0.425 19087 10816 1 20 . 1 1 109 109 LEU C C 109 177.894 177.894 178.158 -0.264 19087 10817 1 20 . 1 1 109 109 LEU CA C 109 53.489 53.489 57.208 -3.719 19087 10818 1 20 . 1 1 109 109 LEU CB C 109 42.241 42.241 41.938 0.303 19087 10819 1 20 . 1 1 109 109 LEU H H 109 7.630 7.630 7.686 -0.056 19087 10820 1 20 . 1 1 110 110 SER N N 110 117.031 117.031 114.952 2.079 19087 10821 1 20 . 1 1 110 110 SER HA H 110 3.943 3.943 4.169 -0.226 19087 10822 1 20 . 1 1 110 110 SER C C 110 174.273 174.273 175.762 -1.489 19087 10823 1 20 . 1 1 110 110 SER CA C 110 59.543 59.543 61.050 -1.507 19087 10824 1 20 . 1 1 110 110 SER CB C 110 63.609 63.609 63.204 0.405 19087 10825 1 20 . 1 1 110 110 SER H H 110 7.757 7.757 7.972 -0.215 19087 10826 1 20 . 1 1 111 111 ASP N N 111 117.804 117.804 120.016 -2.212 19087 10827 1 20 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.559 0.023 19087 10828 1 20 . 1 1 111 111 ASP C C 111 176.760 176.760 175.557 1.203 19087 10829 1 20 . 1 1 111 111 ASP CA C 111 53.976 53.976 54.375 -0.399 19087 10830 1 20 . 1 1 111 111 ASP CB C 111 40.183 40.183 41.720 -1.537 19087 10831 1 20 . 1 1 111 111 ASP H H 111 8.315 8.315 7.561 0.754 19087 10832 1 20 . 1 1 112 112 GLN N N 112 119.300 119.300 117.876 1.424 19087 10833 1 20 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.092 0.208 19087 10834 1 20 . 1 1 112 112 GLN CA C 112 55.014 55.014 55.894 -0.880 19087 10835 1 20 . 1 1 112 112 GLN CB C 112 26.568 26.568 27.557 -0.989 19087 10836 1 20 . 1 1 112 112 GLN H H 112 7.212 7.212 7.839 -0.627 19087 10837 1 20 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.560 -0.033 19087 10838 1 20 . 1 1 114 114 PRO C C 114 175.464 175.464 176.789 -1.325 19087 10839 1 20 . 1 1 114 114 PRO CA C 114 64.069 64.069 62.653 1.416 19087 10840 1 20 . 1 1 114 114 PRO CB C 114 32.447 32.447 31.875 0.572 19087 10841 1 20 . 1 1 115 115 GLY N N 115 113.817 113.817 110.476 3.341 19087 10842 1 20 . 1 1 115 115 GLY C C 115 173.552 173.552 173.562 -0.010 19087 10843 1 20 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.441 -0.488 19087 10844 1 20 . 1 1 115 115 GLY H H 115 8.443 8.443 8.135 0.308 19087 10845 1 20 . 1 1 116 116 VAL N N 116 122.049 122.049 120.818 1.231 19087 10846 1 20 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.120 0.011 19087 10847 1 20 . 1 1 116 116 VAL C C 116 174.533 174.533 176.465 -1.932 19087 10848 1 20 . 1 1 116 116 VAL CA C 116 63.916 63.916 64.140 -0.224 19087 10849 1 20 . 1 1 116 116 VAL CB C 116 32.342 32.342 32.309 0.033 19087 10850 1 20 . 1 1 116 116 VAL H H 116 8.957 8.957 8.146 0.811 19087 10851 1 20 . 1 1 117 117 ILE N N 117 126.102 126.102 124.634 1.468 19087 10852 1 20 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.349 -0.410 19087 10853 1 20 . 1 1 117 117 ILE C C 117 174.181 174.181 175.031 -0.850 19087 10854 1 20 . 1 1 117 117 ILE CA C 117 60.069 60.069 59.175 0.894 19087 10855 1 20 . 1 1 117 117 ILE CB C 117 42.368 42.368 40.663 1.706 19087 10856 1 20 . 1 1 117 117 ILE H H 117 7.863 7.863 8.512 -0.649 19087 10857 1 20 . 1 1 118 118 VAL N N 118 127.665 127.665 128.561 -0.896 19087 10858 1 20 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.222 0.702 19087 10859 1 20 . 1 1 118 118 VAL C C 118 175.224 175.224 174.991 0.233 19087 10860 1 20 . 1 1 118 118 VAL CA C 118 60.580 60.580 60.980 -0.400 19087 10861 1 20 . 1 1 118 118 VAL CB C 118 33.945 33.945 31.187 2.758 19087 10862 1 20 . 1 1 118 118 VAL H H 118 9.348 9.348 8.967 0.381 19087 10863 1 20 . 1 1 119 119 VAL N N 119 121.828 121.828 129.355 -7.527 19087 10864 1 20 . 1 1 119 119 VAL HA H 119 5.563 5.563 4.324 1.239 19087 10865 1 20 . 1 1 119 119 VAL C C 119 174.425 174.425 175.272 -0.847 19087 10866 1 20 . 1 1 119 119 VAL CA C 119 58.691 58.691 60.609 -1.918 19087 10867 1 20 . 1 1 119 119 VAL CB C 119 32.886 32.886 32.150 0.736 19087 10868 1 20 . 1 1 119 119 VAL H H 119 9.096 9.096 8.822 0.274 19087 10869 1 20 . 1 1 120 120 VAL N N 120 120.260 120.260 128.013 -7.753 19087 10870 1 20 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.382 0.436 19087 10871 1 20 . 1 1 120 120 VAL C C 120 175.649 175.649 175.735 -0.086 19087 10872 1 20 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.534 0.097 19087 10873 1 20 . 1 1 120 120 VAL CB C 120 34.550 34.550 33.103 1.447 19087 10874 1 20 . 1 1 120 120 VAL H H 120 8.809 8.809 8.144 0.665 19087 10875 1 20 . 1 1 121 121 THR N N 121 114.564 114.564 120.765 -6.201 19087 10876 1 20 . 1 1 121 121 THR HA H 121 4.428 4.428 4.655 -0.227 19087 10877 1 20 . 1 1 121 121 THR C C 121 173.833 173.833 175.095 -1.262 19087 10878 1 20 . 1 1 121 121 THR CA C 121 60.834 60.834 59.875 0.959 19087 10879 1 20 . 1 1 121 121 THR CB C 121 69.413 69.413 70.703 -1.290 19087 10880 1 20 . 1 1 121 121 THR H H 121 7.859 7.859 8.482 -0.623 19087 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 87 3.376 0.116 3.394 19087 2 1 1 "Average Difference" HA 101 0.326 -0.032 0.326 19087 3 1 1 "Average Difference" C 87 1.360 -0.339 1.325 19087 4 1 1 "Average Difference" CA 101 1.287 -0.344 1.247 19087 5 1 1 "Average Difference" CB 93 1.318 -0.141 1.318 19087 6 1 1 "Average Difference" HN 87 0.551 -0.154 0.532 19087 7 1 2 "Average Difference" N 87 3.674 0.236 3.687 19087 8 1 2 "Average Difference" HA 101 0.305 -0.046 0.303 19087 9 1 2 "Average Difference" C 87 1.449 -0.335 1.418 19087 10 1 2 "Average Difference" CA 101 1.156 -0.368 1.101 19087 11 1 2 "Average Difference" CB 93 1.356 -0.271 1.336 19087 12 1 2 "Average Difference" HN 87 0.518 -0.168 0.493 19087 13 1 3 "Average Difference" N 87 3.187 -0.221 3.198 19087 14 1 3 "Average Difference" HA 101 0.366 -0.029 0.366 19087 15 1 3 "Average Difference" C 87 1.373 -0.282 1.351 19087 16 1 3 "Average Difference" CA 101 1.262 -0.293 1.234 19087 17 1 3 "Average Difference" CB 93 1.435 -0.186 1.431 19087 18 1 3 "Average Difference" HN 87 0.488 -0.150 0.467 19087 19 1 4 "Average Difference" N 87 3.411 0.079 3.430 19087 20 1 4 "Average Difference" HA 101 0.332 -0.060 0.329 19087 21 1 4 "Average Difference" C 87 1.431 -0.331 1.400 19087 22 1 4 "Average Difference" CA 101 1.217 -0.273 1.192 19087 23 1 4 "Average Difference" CB 93 1.466 -0.284 1.446 19087 24 1 4 "Average Difference" HN 87 0.546 -0.174 0.520 19087 25 1 5 "Average Difference" N 87 3.388 0.057 3.407 19087 26 1 5 "Average Difference" HA 101 0.330 -0.039 0.329 19087 27 1 5 "Average Difference" C 87 1.422 -0.285 1.401 19087 28 1 5 "Average Difference" CA 101 1.293 -0.305 1.262 19087 29 1 5 "Average Difference" CB 93 1.317 -0.182 1.312 19087 30 1 5 "Average Difference" HN 87 0.564 -0.172 0.541 19087 31 1 6 "Average Difference" N 87 3.112 0.031 3.130 19087 32 1 6 "Average Difference" HA 101 0.357 -0.037 0.357 19087 33 1 6 "Average Difference" C 87 1.382 -0.359 1.343 19087 34 1 6 "Average Difference" CA 101 1.282 -0.297 1.254 19087 35 1 6 "Average Difference" CB 93 1.486 -0.255 1.472 19087 36 1 6 "Average Difference" HN 87 0.546 -0.164 0.524 19087 37 1 7 "Average Difference" N 87 3.237 -0.045 3.255 19087 38 1 7 "Average Difference" HA 101 0.342 0.017 0.343 19087 39 1 7 "Average Difference" C 87 1.444 -0.488 1.367 19087 40 1 7 "Average Difference" CA 101 1.145 -0.448 1.059 19087 41 1 7 "Average Difference" CB 93 1.363 -0.149 1.362 19087 42 1 7 "Average Difference" HN 87 0.534 -0.151 0.515 19087 43 1 8 "Average Difference" N 87 3.397 0.051 3.416 19087 44 1 8 "Average Difference" HA 101 0.320 -0.043 0.319 19087 45 1 8 "Average Difference" C 87 1.417 -0.283 1.396 19087 46 1 8 "Average Difference" CA 101 1.253 -0.313 1.219 19087 47 1 8 "Average Difference" CB 93 1.444 -0.304 1.419 19087 48 1 8 "Average Difference" HN 87 0.507 -0.146 0.488 19087 49 1 9 "Average Difference" N 87 3.173 -0.333 3.174 19087 50 1 9 "Average Difference" HA 101 0.328 -0.042 0.327 19087 51 1 9 "Average Difference" C 87 1.493 -0.279 1.475 19087 52 1 9 "Average Difference" CA 101 1.325 -0.333 1.289 19087 53 1 9 "Average Difference" CB 93 1.362 -0.236 1.349 19087 54 1 9 "Average Difference" HN 87 0.532 -0.161 0.510 19087 55 1 10 "Average Difference" N 87 3.245 0.055 3.263 19087 56 1 10 "Average Difference" HA 101 0.348 -0.059 0.345 19087 57 1 10 "Average Difference" C 87 1.448 -0.399 1.400 19087 58 1 10 "Average Difference" CA 101 1.156 -0.370 1.100 19087 59 1 10 "Average Difference" CB 93 1.390 -0.207 1.382 19087 60 1 10 "Average Difference" HN 87 0.529 -0.145 0.512 19087 61 1 11 "Average Difference" N 87 3.213 -0.168 3.228 19087 62 1 11 "Average Difference" HA 101 0.353 -0.018 0.355 19087 63 1 11 "Average Difference" C 87 1.413 -0.340 1.379 19087 64 1 11 "Average Difference" CA 101 1.212 -0.315 1.176 19087 65 1 11 "Average Difference" CB 93 1.284 -0.235 1.269 19087 66 1 11 "Average Difference" HN 87 0.513 -0.129 0.499 19087 67 1 12 "Average Difference" N 87 2.879 -0.158 2.891 19087 68 1 12 "Average Difference" HA 101 0.369 -0.029 0.369 19087 69 1 12 "Average Difference" C 87 1.476 -0.289 1.456 19087 70 1 12 "Average Difference" CA 101 1.252 -0.364 1.204 19087 71 1 12 "Average Difference" CB 93 1.482 -0.269 1.465 19087 72 1 12 "Average Difference" HN 87 0.571 -0.149 0.555 19087 73 1 13 "Average Difference" N 87 3.127 -0.079 3.144 19087 74 1 13 "Average Difference" HA 101 0.343 -0.027 0.344 19087 75 1 13 "Average Difference" C 87 1.366 -0.363 1.324 19087 76 1 13 "Average Difference" CA 101 1.317 -0.314 1.286 19087 77 1 13 "Average Difference" CB 93 1.478 -0.251 1.464 19087 78 1 13 "Average Difference" HN 87 0.576 -0.163 0.556 19087 79 1 14 "Average Difference" N 87 3.285 0.068 3.304 19087 80 1 14 "Average Difference" HA 101 0.345 -0.009 0.347 19087 81 1 14 "Average Difference" C 87 1.457 -0.440 1.397 19087 82 1 14 "Average Difference" CA 101 1.253 -0.447 1.177 19087 83 1 14 "Average Difference" CB 93 1.372 -0.192 1.366 19087 84 1 14 "Average Difference" HN 87 0.529 -0.157 0.508 19087 85 1 15 "Average Difference" N 87 3.409 -0.013 3.428 19087 86 1 15 "Average Difference" HA 101 0.326 -0.042 0.325 19087 87 1 15 "Average Difference" C 87 1.416 -0.303 1.391 19087 88 1 15 "Average Difference" CA 101 1.180 -0.385 1.121 19087 89 1 15 "Average Difference" CB 93 1.312 -0.277 1.290 19087 90 1 15 "Average Difference" HN 87 0.509 -0.145 0.490 19087 91 1 16 "Average Difference" N 87 3.689 -0.366 3.692 19087 92 1 16 "Average Difference" HA 101 0.359 -0.015 0.361 19087 93 1 16 "Average Difference" C 87 1.401 -0.291 1.379 19087 94 1 16 "Average Difference" CA 101 1.201 -0.439 1.123 19087 95 1 16 "Average Difference" CB 93 1.460 -0.204 1.454 19087 96 1 16 "Average Difference" HN 87 0.544 -0.178 0.517 19087 97 1 17 "Average Difference" N 87 3.202 -0.065 3.220 19087 98 1 17 "Average Difference" HA 101 0.311 -0.065 0.305 19087 99 1 17 "Average Difference" C 87 1.393 -0.273 1.374 19087 100 1 17 "Average Difference" CA 101 1.219 -0.290 1.190 19087 101 1 17 "Average Difference" CB 93 1.323 -0.318 1.292 19087 102 1 17 "Average Difference" HN 87 0.501 -0.121 0.489 19087 103 1 18 "Average Difference" N 87 3.102 0.190 3.114 19087 104 1 18 "Average Difference" HA 101 0.335 -0.024 0.336 19087 105 1 18 "Average Difference" C 87 1.407 -0.310 1.380 19087 106 1 18 "Average Difference" CA 101 1.224 -0.314 1.189 19087 107 1 18 "Average Difference" CB 93 1.397 -0.175 1.393 19087 108 1 18 "Average Difference" HN 87 0.533 -0.126 0.521 19087 109 1 19 "Average Difference" N 87 3.292 -0.206 3.305 19087 110 1 19 "Average Difference" HA 101 0.317 -0.035 0.317 19087 111 1 19 "Average Difference" C 87 1.401 -0.278 1.381 19087 112 1 19 "Average Difference" CA 101 1.276 -0.325 1.240 19087 113 1 19 "Average Difference" CB 93 1.426 -0.318 1.398 19087 114 1 19 "Average Difference" HN 87 0.574 -0.165 0.553 19087 115 1 20 "Average Difference" N 87 3.098 0.313 3.100 19087 116 1 20 "Average Difference" HA 101 0.396 -0.023 0.398 19087 117 1 20 "Average Difference" C 87 1.438 -0.373 1.397 19087 118 1 20 "Average Difference" CA 101 1.256 -0.370 1.207 19087 119 1 20 "Average Difference" CB 93 1.405 -0.271 1.386 19087 120 1 20 "Average Difference" HN 87 0.556 -0.152 0.538 19087 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 19087 _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 6 6 SER C C 6 174.665 174.665 174.717 -0.052 19087 2 1 . 1 1 6 6 SER CA C 6 58.745 58.745 58.392 0.353 19087 3 1 . 1 1 6 6 SER CB C 6 63.870 63.870 63.599 0.271 19087 4 1 . 1 1 7 7 GLU N N 7 122.278 122.278 122.653 -0.375 19087 5 1 . 1 1 7 7 GLU HA H 7 4.728 4.728 4.267 0.461 19087 6 1 . 1 1 7 7 GLU C C 7 176.279 176.279 176.618 -0.339 19087 7 1 . 1 1 7 7 GLU CA C 7 56.894 56.894 57.317 -0.423 19087 8 1 . 1 1 7 7 GLU CB C 7 30.209 30.209 29.797 0.412 19087 9 1 . 1 1 7 7 GLU H H 7 8.475 8.475 8.564 -0.089 19087 10 1 . 1 1 8 8 ASP N N 8 120.753 120.753 119.438 1.315 19087 11 1 . 1 1 8 8 ASP HA H 8 4.709 4.709 4.508 0.201 19087 12 1 . 1 1 8 8 ASP C C 8 176.070 176.070 176.060 0.010 19087 13 1 . 1 1 8 8 ASP CA C 8 54.366 54.366 54.954 -0.588 19087 14 1 . 1 1 8 8 ASP CB C 8 41.459 41.459 41.097 0.362 19087 15 1 . 1 1 8 8 ASP H H 8 8.206 8.206 8.055 0.151 19087 16 1 . 1 1 9 9 ASP N N 9 121.430 121.430 119.025 2.405 19087 17 1 . 1 1 9 9 ASP HA H 9 4.703 4.703 4.441 0.262 19087 18 1 . 1 1 9 9 ASP CA C 9 54.444 54.444 54.756 -0.312 19087 19 1 . 1 1 9 9 ASP CB C 9 41.220 41.220 41.020 0.200 19087 20 1 . 1 1 9 9 ASP H H 9 8.256 8.256 8.296 -0.040 19087 21 1 . 1 1 11 11 SER C C 11 174.517 174.517 173.285 1.232 19087 22 1 . 1 1 11 11 SER CA C 11 59.364 59.364 58.406 0.958 19087 23 1 . 1 1 11 11 SER CB C 11 63.989 63.989 64.029 -0.040 19087 24 1 . 1 1 12 12 ALA N N 12 125.500 125.500 127.164 -1.664 19087 25 1 . 1 1 12 12 ALA HA H 12 4.356 4.356 4.839 -0.483 19087 26 1 . 1 1 12 12 ALA C C 12 177.811 177.811 175.837 1.974 19087 27 1 . 1 1 12 12 ALA CA C 12 52.815 52.815 51.836 0.979 19087 28 1 . 1 1 12 12 ALA CB C 12 19.204 19.204 20.138 -0.934 19087 29 1 . 1 1 12 12 ALA H H 12 8.087 8.087 8.546 -0.459 19087 30 1 . 1 1 13 13 ILE N N 13 119.045 119.045 120.723 -1.678 19087 31 1 . 1 1 13 13 ILE HA H 13 4.193 4.193 4.616 -0.423 19087 32 1 . 1 1 13 13 ILE CA C 13 61.163 61.163 60.760 0.403 19087 33 1 . 1 1 13 13 ILE CB C 13 38.721 38.721 39.806 -1.085 19087 34 1 . 1 1 13 13 ILE H H 13 7.938 7.938 8.499 -0.561 19087 35 1 . 1 1 14 14 SER N N 14 119.662 119.662 120.832 -1.170 19087 36 1 . 1 1 14 14 SER H H 14 8.339 8.339 8.594 -0.255 19087 37 1 . 1 1 21 21 ALA HA H 21 4.286 4.286 4.739 -0.453 19087 38 1 . 1 1 21 21 ALA C C 21 177.013 177.013 175.819 1.194 19087 39 1 . 1 1 21 21 ALA CA C 21 51.585 51.585 51.758 -0.173 19087 40 1 . 1 1 21 21 ALA CB C 21 19.339 19.339 20.185 -0.846 19087 41 1 . 1 1 22 22 ALA N N 22 124.579 124.579 125.148 -0.569 19087 42 1 . 1 1 22 22 ALA HA H 22 4.725 4.725 4.756 -0.031 19087 43 1 . 1 1 22 22 ALA CA C 22 50.310 50.310 50.827 -0.517 19087 44 1 . 1 1 22 22 ALA CB C 22 18.232 18.232 19.037 -0.805 19087 45 1 . 1 1 22 22 ALA H H 22 8.182 8.182 8.479 -0.297 19087 46 1 . 1 1 28 28 VAL HA H 28 4.135 4.135 4.377 -0.242 19087 47 1 . 1 1 28 28 VAL C C 28 175.779 175.779 174.976 0.803 19087 48 1 . 1 1 28 28 VAL CA C 28 62.167 62.167 61.960 0.207 19087 49 1 . 1 1 28 28 VAL CB C 28 32.681 32.681 33.093 -0.412 19087 50 1 . 1 1 29 29 LYS N N 29 126.858 126.858 127.047 -0.189 19087 51 1 . 1 1 29 29 LYS HA H 29 4.712 4.712 4.703 0.009 19087 52 1 . 1 1 29 29 LYS CA C 29 54.135 54.135 54.192 -0.058 19087 53 1 . 1 1 29 29 LYS CB C 29 32.646 32.646 32.786 -0.140 19087 54 1 . 1 1 29 29 LYS H H 29 8.346 8.346 8.408 -0.062 19087 55 1 . 1 1 30 30 PRO HA H 30 4.402 4.402 4.476 -0.074 19087 56 1 . 1 1 30 30 PRO C C 30 176.435 176.435 175.979 0.456 19087 57 1 . 1 1 30 30 PRO CA C 30 62.776 62.776 62.781 -0.005 19087 58 1 . 1 1 30 30 PRO CB C 30 32.154 32.154 32.436 -0.282 19087 59 1 . 1 1 31 31 ALA N N 31 124.680 124.680 124.133 0.547 19087 60 1 . 1 1 31 31 ALA HA H 31 4.347 4.347 4.466 -0.119 19087 61 1 . 1 1 31 31 ALA C C 31 176.860 176.860 176.631 0.229 19087 62 1 . 1 1 31 31 ALA CA C 31 52.316 52.316 51.846 0.470 19087 63 1 . 1 1 31 31 ALA CB C 31 19.398 19.398 19.809 -0.411 19087 64 1 . 1 1 31 31 ALA H H 31 8.324 8.324 8.337 -0.012 19087 65 1 . 1 1 32 32 ALA N N 32 125.011 125.011 124.676 0.335 19087 66 1 . 1 1 32 32 ALA HA H 32 4.736 4.736 4.621 0.115 19087 67 1 . 1 1 32 32 ALA CA C 32 50.487 50.487 50.705 -0.218 19087 68 1 . 1 1 32 32 ALA CB C 32 18.203 18.203 18.955 -0.752 19087 69 1 . 1 1 32 32 ALA H H 32 8.246 8.246 8.348 -0.102 19087 70 1 . 1 1 33 33 PRO HA H 33 4.466 4.466 4.629 -0.163 19087 71 1 . 1 1 33 33 PRO C C 33 176.834 176.834 176.124 0.710 19087 72 1 . 1 1 33 33 PRO CA C 33 62.825 62.825 62.620 0.205 19087 73 1 . 1 1 33 33 PRO CB C 33 31.995 31.995 32.529 -0.534 19087 74 1 . 1 1 34 34 ARG N N 34 121.170 121.170 121.961 -0.791 19087 75 1 . 1 1 34 34 ARG HA H 34 4.386 4.386 4.407 -0.021 19087 76 1 . 1 1 34 34 ARG C C 34 175.853 175.853 175.427 0.426 19087 77 1 . 1 1 34 34 ARG CA C 34 55.912 55.912 56.112 -0.200 19087 78 1 . 1 1 34 34 ARG CB C 34 31.672 31.672 31.528 0.144 19087 79 1 . 1 1 34 34 ARG H H 34 8.349 8.349 8.442 -0.093 19087 80 1 . 1 1 35 35 ALA N N 35 124.878 124.878 122.345 2.533 19087 81 1 . 1 1 35 35 ALA HA H 35 4.612 4.612 4.586 0.026 19087 82 1 . 1 1 35 35 ALA C C 35 176.170 176.170 175.611 0.559 19087 83 1 . 1 1 35 35 ALA CA C 35 51.566 51.566 51.355 0.211 19087 84 1 . 1 1 35 35 ALA CB C 35 20.722 20.722 20.857 -0.135 19087 85 1 . 1 1 35 35 ALA H H 35 8.008 8.008 8.030 -0.022 19087 86 1 . 1 1 36 36 GLU N N 36 119.776 119.776 122.204 -2.428 19087 87 1 . 1 1 36 36 GLU HA H 36 4.431 4.431 4.661 -0.230 19087 88 1 . 1 1 36 36 GLU C C 36 174.618 174.618 175.156 -0.538 19087 89 1 . 1 1 36 36 GLU CA C 36 56.472 56.472 55.678 0.794 19087 90 1 . 1 1 36 36 GLU CB C 36 31.124 31.124 30.367 0.757 19087 91 1 . 1 1 36 36 GLU H H 36 8.495 8.495 8.631 -0.136 19087 92 1 . 1 1 37 37 VAL N N 37 119.808 119.808 124.118 -4.310 19087 93 1 . 1 1 37 37 VAL HA H 37 4.902 4.902 4.667 0.235 19087 94 1 . 1 1 37 37 VAL C C 37 174.285 174.285 174.878 -0.593 19087 95 1 . 1 1 37 37 VAL CA C 37 60.639 60.639 61.189 -0.550 19087 96 1 . 1 1 37 37 VAL CB C 37 34.612 34.612 33.798 0.814 19087 97 1 . 1 1 37 37 VAL H H 37 8.494 8.494 8.662 -0.168 19087 98 1 . 1 1 38 38 ARG N N 38 124.534 124.534 124.863 -0.329 19087 99 1 . 1 1 38 38 ARG HA H 38 4.926 4.926 5.173 -0.247 19087 100 1 . 1 1 38 38 ARG C C 38 174.239 174.239 174.294 -0.055 19087 101 1 . 1 1 38 38 ARG CA C 38 55.092 55.092 54.458 0.634 19087 102 1 . 1 1 38 38 ARG CB C 38 34.190 34.190 33.365 0.825 19087 103 1 . 1 1 38 38 ARG H H 38 8.652 8.652 8.957 -0.305 19087 104 1 . 1 1 39 39 VAL N N 39 121.231 121.231 124.621 -3.390 19087 105 1 . 1 1 39 39 VAL HA H 39 4.798 4.798 4.606 0.192 19087 106 1 . 1 1 39 39 VAL C C 39 173.357 173.357 174.446 -1.089 19087 107 1 . 1 1 39 39 VAL CA C 39 60.638 60.638 61.343 -0.705 19087 108 1 . 1 1 39 39 VAL CB C 39 34.294 34.294 32.858 1.436 19087 109 1 . 1 1 39 39 VAL H H 39 7.934 7.934 8.530 -0.596 19087 110 1 . 1 1 40 40 TYR N N 40 122.262 122.262 126.481 -4.219 19087 111 1 . 1 1 40 40 TYR HA H 40 5.154 5.154 5.228 -0.074 19087 112 1 . 1 1 40 40 TYR C C 40 175.124 175.124 174.724 0.400 19087 113 1 . 1 1 40 40 TYR CA C 40 55.540 55.540 55.762 -0.222 19087 114 1 . 1 1 40 40 TYR CB C 40 42.223 42.223 40.315 1.908 19087 115 1 . 1 1 40 40 TYR H H 40 9.343 9.343 8.850 0.493 19087 116 1 . 1 1 41 41 ASN N N 41 121.684 121.684 122.485 -0.801 19087 117 1 . 1 1 41 41 ASN HA H 41 5.032 5.032 5.225 -0.193 19087 118 1 . 1 1 41 41 ASN C C 41 176.301 176.301 175.387 0.914 19087 119 1 . 1 1 41 41 ASN CA C 41 52.635 52.635 52.992 -0.357 19087 120 1 . 1 1 41 41 ASN CB C 41 39.836 39.836 39.941 -0.105 19087 121 1 . 1 1 41 41 ASN H H 41 9.287 9.287 8.578 0.709 19087 122 1 . 1 1 42 42 ILE N N 42 119.462 119.462 125.380 -5.918 19087 123 1 . 1 1 42 42 ILE HA H 42 5.450 5.450 4.442 1.008 19087 124 1 . 1 1 42 42 ILE C C 42 176.450 176.450 175.856 0.594 19087 125 1 . 1 1 42 42 ILE CA C 42 60.513 60.513 62.148 -1.635 19087 126 1 . 1 1 42 42 ILE CB C 42 38.597 38.597 39.013 -0.416 19087 127 1 . 1 1 42 42 ILE H H 42 8.541 8.541 8.373 0.168 19087 128 1 . 1 1 43 43 SER N N 43 118.212 118.212 113.913 4.299 19087 129 1 . 1 1 43 43 SER HA H 43 4.729 4.729 4.606 0.123 19087 130 1 . 1 1 43 43 SER CA C 43 58.598 58.598 57.891 0.707 19087 131 1 . 1 1 43 43 SER CB C 43 66.262 66.262 65.011 1.251 19087 132 1 . 1 1 43 43 SER H H 43 8.142 8.142 7.708 0.434 19087 133 1 . 1 1 44 44 GLY C C 44 174.414 174.414 174.155 0.259 19087 134 1 . 1 1 44 44 GLY CA C 44 45.379 45.379 45.640 -0.261 19087 135 1 . 1 1 45 45 THR N N 45 116.371 116.371 115.586 0.785 19087 136 1 . 1 1 45 45 THR HA H 45 4.384 4.384 4.308 0.076 19087 137 1 . 1 1 45 45 THR CA C 45 61.814 61.814 62.463 -0.649 19087 138 1 . 1 1 45 45 THR CB C 45 69.787 69.787 69.397 0.390 19087 139 1 . 1 1 45 45 THR H H 45 8.298 8.298 8.045 0.253 19087 140 1 . 1 1 47 47 GLY C C 47 175.691 175.691 175.356 0.335 19087 141 1 . 1 1 47 47 GLY CA C 47 46.191 46.191 46.229 -0.038 19087 142 1 . 1 1 48 48 ALA N N 48 121.957 121.957 124.091 -2.134 19087 143 1 . 1 1 48 48 ALA HA H 48 4.029 4.029 4.113 -0.084 19087 144 1 . 1 1 48 48 ALA CA C 48 55.402 55.402 54.334 1.068 19087 145 1 . 1 1 48 48 ALA CB C 48 18.492 18.492 18.341 0.151 19087 146 1 . 1 1 48 48 ALA H H 48 7.511 7.511 8.127 -0.615 19087 147 1 . 1 1 49 49 ALA HA H 49 3.984 3.984 3.965 0.019 19087 148 1 . 1 1 49 49 ALA C C 49 178.073 178.073 178.993 -0.920 19087 149 1 . 1 1 49 49 ALA CA C 49 54.861 54.861 54.805 0.056 19087 150 1 . 1 1 49 49 ALA CB C 49 18.689 18.689 18.506 0.183 19087 151 1 . 1 1 50 50 ALA N N 50 122.654 122.654 119.890 2.764 19087 152 1 . 1 1 50 50 ALA HA H 50 3.989 3.989 4.005 -0.016 19087 153 1 . 1 1 50 50 ALA C C 50 179.642 179.642 179.187 0.455 19087 154 1 . 1 1 50 50 ALA CA C 50 55.851 55.851 54.349 1.502 19087 155 1 . 1 1 50 50 ALA CB C 50 17.788 17.788 18.247 -0.458 19087 156 1 . 1 1 50 50 ALA H H 50 7.965 7.965 7.790 0.175 19087 157 1 . 1 1 51 51 ARG N N 51 116.659 116.659 118.512 -1.853 19087 158 1 . 1 1 51 51 ARG HA H 51 4.191 4.191 4.179 0.012 19087 159 1 . 1 1 51 51 ARG C C 51 179.931 179.931 178.333 1.598 19087 160 1 . 1 1 51 51 ARG CA C 51 59.512 59.512 58.455 1.057 19087 161 1 . 1 1 51 51 ARG CB C 51 30.463 30.463 29.779 0.684 19087 162 1 . 1 1 51 51 ARG H H 51 7.982 7.982 7.954 0.028 19087 163 1 . 1 1 52 52 THR N N 52 117.745 117.745 112.753 4.992 19087 164 1 . 1 1 52 52 THR HA H 52 4.162 4.162 4.072 0.090 19087 165 1 . 1 1 52 52 THR C C 52 175.626 175.626 175.964 -0.338 19087 166 1 . 1 1 52 52 THR CA C 52 68.565 68.565 65.706 2.859 19087 167 1 . 1 1 52 52 THR CB C 52 70.787 70.787 68.335 2.452 19087 168 1 . 1 1 52 52 THR H H 52 7.661 7.661 7.690 -0.029 19087 169 1 . 1 1 53 53 ALA N N 53 123.939 123.939 123.632 0.307 19087 170 1 . 1 1 53 53 ALA HA H 53 3.886 3.886 3.994 -0.108 19087 171 1 . 1 1 53 53 ALA C C 53 179.013 179.013 178.927 0.086 19087 172 1 . 1 1 53 53 ALA CA C 53 56.197 56.197 54.496 1.701 19087 173 1 . 1 1 53 53 ALA CB C 53 18.717 18.717 18.408 0.309 19087 174 1 . 1 1 53 53 ALA H H 53 8.805 8.805 7.669 1.136 19087 175 1 . 1 1 54 54 ASP N N 54 118.351 118.351 118.862 -0.511 19087 176 1 . 1 1 54 54 ASP HA H 54 4.432 4.432 4.312 0.120 19087 177 1 . 1 1 54 54 ASP C C 54 179.376 179.376 178.193 1.183 19087 178 1 . 1 1 54 54 ASP CA C 54 58.007 58.007 57.351 0.656 19087 179 1 . 1 1 54 54 ASP CB C 54 40.242 40.242 40.877 -0.635 19087 180 1 . 1 1 54 54 ASP H H 54 8.327 8.327 7.849 0.478 19087 181 1 . 1 1 55 55 ARG N N 55 121.120 121.120 119.249 1.871 19087 182 1 . 1 1 55 55 ARG HA H 55 4.175 4.175 4.142 0.032 19087 183 1 . 1 1 55 55 ARG C C 55 179.550 179.550 178.678 0.872 19087 184 1 . 1 1 55 55 ARG CA C 55 59.285 59.285 58.575 0.710 19087 185 1 . 1 1 55 55 ARG CB C 55 30.320 30.320 30.139 0.181 19087 186 1 . 1 1 55 55 ARG H H 55 7.723 7.723 7.661 0.062 19087 187 1 . 1 1 56 56 LEU N N 56 118.659 118.659 120.054 -1.395 19087 188 1 . 1 1 56 56 LEU HA H 56 4.332 4.332 4.030 0.302 19087 189 1 . 1 1 56 56 LEU C C 56 179.305 179.305 178.365 0.940 19087 190 1 . 1 1 56 56 LEU CA C 56 57.437 57.437 57.762 -0.325 19087 191 1 . 1 1 56 56 LEU CB C 56 41.287 41.287 41.500 -0.213 19087 192 1 . 1 1 56 56 LEU H H 56 8.215 8.215 7.691 0.524 19087 193 1 . 1 1 57 57 LYS N N 57 122.713 122.713 119.678 3.035 19087 194 1 . 1 1 57 57 LYS HA H 57 4.513 4.513 3.950 0.563 19087 195 1 . 1 1 57 57 LYS C C 57 181.436 181.436 178.623 2.813 19087 196 1 . 1 1 57 57 LYS CA C 57 60.004 60.004 59.037 0.967 19087 197 1 . 1 1 57 57 LYS CB C 57 32.437 32.437 31.924 0.513 19087 198 1 . 1 1 57 57 LYS H H 57 8.914 8.914 7.795 1.119 19087 199 1 . 1 1 58 58 ALA N N 58 122.423 122.423 120.851 1.572 19087 200 1 . 1 1 58 58 ALA HA H 58 4.210 4.210 4.297 -0.087 19087 201 1 . 1 1 58 58 ALA C C 58 178.516 178.516 178.873 -0.357 19087 202 1 . 1 1 58 58 ALA CA C 58 55.069 55.069 54.055 1.014 19087 203 1 . 1 1 58 58 ALA CB C 58 17.909 17.909 18.346 -0.437 19087 204 1 . 1 1 58 58 ALA H H 58 8.026 8.026 7.630 0.396 19087 205 1 . 1 1 59 59 ALA N N 59 118.347 118.347 119.766 -1.419 19087 206 1 . 1 1 59 59 ALA HA H 59 4.486 4.486 4.353 0.133 19087 207 1 . 1 1 59 59 ALA C C 59 176.797 176.797 177.712 -0.915 19087 208 1 . 1 1 59 59 ALA CA C 59 51.758 51.758 52.316 -0.558 19087 209 1 . 1 1 59 59 ALA CB C 59 19.369 19.369 19.572 -0.203 19087 210 1 . 1 1 59 59 ALA H H 59 7.413 7.413 7.729 -0.316 19087 211 1 . 1 1 60 60 GLY N N 60 104.918 104.918 106.307 -1.389 19087 212 1 . 1 1 60 60 GLY C C 60 174.741 174.741 173.981 0.760 19087 213 1 . 1 1 60 60 GLY CA C 60 45.236 45.236 44.732 0.504 19087 214 1 . 1 1 60 60 GLY H H 60 7.694 7.694 7.729 -0.035 19087 215 1 . 1 1 61 61 PHE N N 61 118.862 118.862 119.056 -0.194 19087 216 1 . 1 1 61 61 PHE HA H 61 4.495 4.495 4.685 -0.190 19087 217 1 . 1 1 61 61 PHE C C 61 175.204 175.204 176.213 -1.009 19087 218 1 . 1 1 61 61 PHE CA C 61 58.483 58.483 57.091 1.393 19087 219 1 . 1 1 61 61 PHE CB C 61 39.163 39.163 39.529 -0.366 19087 220 1 . 1 1 61 61 PHE H H 61 7.879 7.879 7.977 -0.098 19087 221 1 . 1 1 62 62 THR N N 62 121.319 121.319 116.771 4.548 19087 222 1 . 1 1 62 62 THR HA H 62 4.303 4.303 4.144 0.159 19087 223 1 . 1 1 62 62 THR C C 62 173.073 173.073 174.455 -1.382 19087 224 1 . 1 1 62 62 THR CA C 62 69.389 69.389 64.885 4.504 19087 225 1 . 1 1 62 62 THR CB C 62 62.478 62.478 69.399 -6.920 19087 226 1 . 1 1 62 62 THR H H 62 9.493 9.493 8.517 0.976 19087 227 1 . 1 1 63 63 VAL N N 63 128.406 128.406 120.457 7.949 19087 228 1 . 1 1 63 63 VAL HA H 63 4.660 4.660 4.417 0.243 19087 229 1 . 1 1 63 63 VAL C C 63 177.267 177.267 174.292 2.974 19087 230 1 . 1 1 63 63 VAL CA C 63 60.099 60.099 61.454 -1.355 19087 231 1 . 1 1 63 63 VAL CB C 63 32.572 32.572 34.292 -1.720 19087 232 1 . 1 1 63 63 VAL H H 63 8.293 8.293 7.817 0.476 19087 233 1 . 1 1 64 64 THR N N 64 118.495 118.495 118.353 0.142 19087 234 1 . 1 1 64 64 THR HA H 64 4.350 4.350 5.142 -0.792 19087 235 1 . 1 1 64 64 THR CA C 64 62.182 62.182 60.495 1.687 19087 236 1 . 1 1 64 64 THR CB C 64 69.143 69.143 70.066 -0.922 19087 237 1 . 1 1 64 64 THR H H 64 8.770 8.770 8.449 0.321 19087 238 1 . 1 1 65 65 ASP HA H 65 4.301 4.301 4.933 -0.632 19087 239 1 . 1 1 65 65 ASP C C 65 173.778 173.778 174.443 -0.665 19087 240 1 . 1 1 65 65 ASP CA C 65 54.287 54.287 53.270 1.017 19087 241 1 . 1 1 65 65 ASP CB C 65 44.018 44.018 43.787 0.231 19087 242 1 . 1 1 66 66 VAL N N 66 121.705 121.705 120.544 1.161 19087 243 1 . 1 1 66 66 VAL HA H 66 4.863 4.863 4.999 -0.136 19087 244 1 . 1 1 66 66 VAL C C 66 176.234 176.234 175.285 0.949 19087 245 1 . 1 1 66 66 VAL CA C 66 60.597 60.597 60.056 0.541 19087 246 1 . 1 1 66 66 VAL CB C 66 34.120 34.120 34.741 -0.621 19087 247 1 . 1 1 66 66 VAL H H 66 7.849 7.849 8.340 -0.491 19087 248 1 . 1 1 67 67 GLY N N 67 112.050 112.050 112.957 -0.907 19087 249 1 . 1 1 67 67 GLY CA C 67 45.618 45.618 45.159 0.459 19087 250 1 . 1 1 67 67 GLY H H 67 8.151 8.151 8.551 -0.400 19087 251 1 . 1 1 68 68 ASN C C 68 173.771 173.771 174.047 -0.276 19087 252 1 . 1 1 68 68 ASN CA C 68 53.062 53.062 52.465 0.597 19087 253 1 . 1 1 68 68 ASN CB C 68 39.832 39.832 40.245 -0.413 19087 254 1 . 1 1 69 69 LEU N N 69 121.003 121.003 123.643 -2.640 19087 255 1 . 1 1 69 69 LEU HA H 69 4.537 4.537 4.689 -0.152 19087 256 1 . 1 1 69 69 LEU C C 69 174.751 174.751 175.310 -0.559 19087 257 1 . 1 1 69 69 LEU CA C 69 53.925 53.925 54.227 -0.301 19087 258 1 . 1 1 69 69 LEU CB C 69 47.313 47.313 45.956 1.357 19087 259 1 . 1 1 69 69 LEU H H 69 8.276 8.276 8.483 -0.207 19087 260 1 . 1 1 70 70 SER N N 70 116.269 116.269 119.271 -3.002 19087 261 1 . 1 1 70 70 SER C C 70 173.777 173.777 173.923 -0.146 19087 262 1 . 1 1 70 70 SER CA C 70 56.923 56.923 58.106 -1.183 19087 263 1 . 1 1 70 70 SER CB C 70 63.219 63.219 62.986 0.233 19087 264 1 . 1 1 70 70 SER H H 70 8.122 8.122 8.491 -0.369 19087 265 1 . 1 1 71 71 LEU N N 71 127.999 127.999 127.851 0.148 19087 266 1 . 1 1 71 71 LEU HA H 71 4.756 4.756 4.707 0.049 19087 267 1 . 1 1 71 71 LEU CA C 71 52.165 52.165 52.210 -0.045 19087 268 1 . 1 1 71 71 LEU CB C 71 44.179 44.179 42.355 1.824 19087 269 1 . 1 1 71 71 LEU H H 71 8.293 8.293 8.114 0.179 19087 270 1 . 1 1 72 72 PRO HA H 72 4.360 4.360 4.417 -0.057 19087 271 1 . 1 1 72 72 PRO C C 72 176.922 176.922 176.608 0.314 19087 272 1 . 1 1 72 72 PRO CA C 72 64.244 64.244 64.123 0.121 19087 273 1 . 1 1 72 72 PRO CB C 72 32.466 32.466 31.943 0.523 19087 274 1 . 1 1 73 73 ASP N N 73 115.106 115.106 116.640 -1.534 19087 275 1 . 1 1 73 73 ASP HA H 73 4.558 4.558 4.506 0.052 19087 276 1 . 1 1 73 73 ASP C C 73 175.809 175.809 175.575 0.234 19087 277 1 . 1 1 73 73 ASP CA C 73 55.145 55.145 54.390 0.755 19087 278 1 . 1 1 73 73 ASP CB C 73 40.778 40.778 40.772 0.006 19087 279 1 . 1 1 73 73 ASP H H 73 8.431 8.431 8.437 -0.006 19087 280 1 . 1 1 74 74 VAL N N 74 122.218 122.218 119.200 3.018 19087 281 1 . 1 1 74 74 VAL HA H 74 3.966 3.966 4.246 -0.280 19087 282 1 . 1 1 74 74 VAL C C 74 175.339 175.339 174.587 0.752 19087 283 1 . 1 1 74 74 VAL CA C 74 63.871 63.871 61.844 2.027 19087 284 1 . 1 1 74 74 VAL CB C 74 32.075 32.075 32.975 -0.900 19087 285 1 . 1 1 74 74 VAL H H 74 7.468 7.468 7.398 0.070 19087 286 1 . 1 1 75 75 ALA N N 75 128.630 128.630 128.848 -0.218 19087 287 1 . 1 1 75 75 ALA HA H 75 4.425 4.425 4.540 -0.115 19087 288 1 . 1 1 75 75 ALA C C 75 176.404 176.404 176.131 0.273 19087 289 1 . 1 1 75 75 ALA CA C 75 52.427 52.427 52.120 0.307 19087 290 1 . 1 1 75 75 ALA CB C 75 20.471 20.471 19.693 0.778 19087 291 1 . 1 1 75 75 ALA H H 75 8.581 8.581 8.530 0.051 19087 292 1 . 1 1 76 76 ALA N N 76 120.481 120.481 121.683 -1.202 19087 293 1 . 1 1 76 76 ALA HA H 76 4.657 4.657 4.558 0.099 19087 294 1 . 1 1 76 76 ALA C C 76 175.925 175.925 176.173 -0.248 19087 295 1 . 1 1 76 76 ALA CA C 76 50.995 50.995 51.461 -0.466 19087 296 1 . 1 1 76 76 ALA CB C 76 22.365 22.365 20.796 1.569 19087 297 1 . 1 1 76 76 ALA H H 76 7.438 7.438 7.635 -0.197 19087 298 1 . 1 1 77 77 THR N N 77 121.464 121.464 117.782 3.682 19087 299 1 . 1 1 77 77 THR HA H 77 4.734 4.734 4.468 0.266 19087 300 1 . 1 1 77 77 THR C C 77 174.143 174.143 173.992 0.151 19087 301 1 . 1 1 77 77 THR CA C 77 63.914 63.914 62.528 1.386 19087 302 1 . 1 1 77 77 THR CB C 77 70.070 70.070 68.503 1.567 19087 303 1 . 1 1 77 77 THR H H 77 8.390 8.390 8.433 -0.043 19087 304 1 . 1 1 78 78 THR N N 78 123.538 123.538 124.010 -0.472 19087 305 1 . 1 1 78 78 THR HA H 78 4.644 4.644 4.762 -0.118 19087 306 1 . 1 1 78 78 THR C C 78 181.684 181.684 172.582 9.102 19087 307 1 . 1 1 78 78 THR CA C 78 62.511 62.511 61.428 1.083 19087 308 1 . 1 1 78 78 THR CB C 78 72.846 72.846 72.573 0.273 19087 309 1 . 1 1 78 78 THR H H 78 8.355 8.355 8.492 -0.137 19087 310 1 . 1 1 79 79 VAL N N 79 126.455 126.455 125.049 1.405 19087 311 1 . 1 1 79 79 VAL HA H 79 4.596 4.596 4.268 0.328 19087 312 1 . 1 1 79 79 VAL C C 79 173.702 173.702 174.519 -0.817 19087 313 1 . 1 1 79 79 VAL CA C 79 60.385 60.385 61.914 -1.529 19087 314 1 . 1 1 79 79 VAL CB C 79 33.089 33.089 31.983 1.106 19087 315 1 . 1 1 79 79 VAL H H 79 8.685 8.685 8.616 0.069 19087 316 1 . 1 1 80 80 TYR N N 80 123.574 123.574 128.212 -4.638 19087 317 1 . 1 1 80 80 TYR HA H 80 6.400 6.400 5.306 1.094 19087 318 1 . 1 1 80 80 TYR C C 80 176.410 176.410 175.319 1.091 19087 319 1 . 1 1 80 80 TYR CA C 80 56.608 56.608 55.889 0.719 19087 320 1 . 1 1 80 80 TYR CB C 80 42.567 42.567 39.935 2.632 19087 321 1 . 1 1 80 80 TYR H H 80 9.702 9.702 8.768 0.934 19087 322 1 . 1 1 81 81 TYR N N 81 117.754 117.754 118.939 -1.185 19087 323 1 . 1 1 81 81 TYR HA H 81 5.474 5.474 5.136 0.338 19087 324 1 . 1 1 81 81 TYR C C 81 173.237 173.237 174.050 -0.813 19087 325 1 . 1 1 81 81 TYR CA C 81 55.498 55.498 55.544 -0.046 19087 326 1 . 1 1 81 81 TYR CB C 81 42.249 42.249 40.447 1.802 19087 327 1 . 1 1 81 81 TYR H H 81 8.221 8.221 8.199 0.022 19087 328 1 . 1 1 82 82 THR N N 82 111.056 111.056 114.998 -3.942 19087 329 1 . 1 1 82 82 THR HA H 82 4.724 4.724 4.530 0.194 19087 330 1 . 1 1 82 82 THR C C 82 174.521 174.521 174.603 -0.082 19087 331 1 . 1 1 82 82 THR CA C 82 60.896 60.896 61.086 -0.190 19087 332 1 . 1 1 82 82 THR CB C 82 71.506 71.506 70.617 0.889 19087 333 1 . 1 1 82 82 THR H H 82 8.245 8.245 8.391 -0.146 19087 334 1 . 1 1 83 83 GLU N N 83 117.058 117.058 120.623 -3.565 19087 335 1 . 1 1 83 83 GLU HA H 83 4.477 4.477 4.490 -0.013 19087 336 1 . 1 1 83 83 GLU C C 83 176.152 176.152 176.358 -0.206 19087 337 1 . 1 1 83 83 GLU CA C 83 57.179 57.179 55.948 1.231 19087 338 1 . 1 1 83 83 GLU CB C 83 28.714 28.714 29.894 -1.180 19087 339 1 . 1 1 83 83 GLU H H 83 8.772 8.772 8.590 0.182 19087 340 1 . 1 1 84 84 VAL N N 84 123.039 123.039 122.024 1.015 19087 341 1 . 1 1 84 84 VAL HA H 84 3.894 3.894 3.839 0.055 19087 342 1 . 1 1 84 84 VAL C C 84 177.170 177.170 176.315 0.855 19087 343 1 . 1 1 84 84 VAL CA C 84 63.678 63.678 63.973 -0.295 19087 344 1 . 1 1 84 84 VAL CB C 84 32.474 32.474 30.918 1.556 19087 345 1 . 1 1 84 84 VAL H H 84 7.818 7.818 7.701 0.117 19087 346 1 . 1 1 85 85 GLU N N 85 129.351 129.351 126.076 3.275 19087 347 1 . 1 1 85 85 GLU HA H 85 3.892 3.892 3.966 -0.074 19087 348 1 . 1 1 85 85 GLU CA C 85 59.005 59.005 58.130 0.875 19087 349 1 . 1 1 85 85 GLU CB C 85 29.523 29.523 28.603 0.920 19087 350 1 . 1 1 85 85 GLU H H 85 8.796 8.796 8.932 -0.136 19087 351 1 . 1 1 86 86 GLY C C 86 176.321 176.321 174.805 1.516 19087 352 1 . 1 1 86 86 GLY CA C 86 45.876 45.876 45.145 0.731 19087 353 1 . 1 1 87 87 GLU N N 87 121.773 121.773 121.524 0.249 19087 354 1 . 1 1 87 87 GLU HA H 87 3.948 3.948 4.021 -0.073 19087 355 1 . 1 1 87 87 GLU C C 87 178.276 178.276 177.882 0.394 19087 356 1 . 1 1 87 87 GLU CA C 87 61.762 61.762 59.216 2.546 19087 357 1 . 1 1 87 87 GLU CB C 87 30.096 30.096 29.763 0.333 19087 358 1 . 1 1 87 87 GLU H H 87 8.133 8.133 8.016 0.117 19087 359 1 . 1 1 88 88 ARG N N 88 121.466 121.466 118.133 3.333 19087 360 1 . 1 1 88 88 ARG HA H 88 3.362 3.362 3.493 -0.131 19087 361 1 . 1 1 88 88 ARG C C 88 177.229 177.229 177.645 -0.416 19087 362 1 . 1 1 88 88 ARG CA C 88 59.493 59.493 58.731 0.762 19087 363 1 . 1 1 88 88 ARG CB C 88 29.059 29.059 28.959 0.100 19087 364 1 . 1 1 88 88 ARG H H 88 9.132 9.132 8.304 0.828 19087 365 1 . 1 1 89 89 ALA N N 89 119.527 119.527 121.103 -1.576 19087 366 1 . 1 1 89 89 ALA HA H 89 4.183 4.183 4.129 0.054 19087 367 1 . 1 1 89 89 ALA C C 89 181.949 181.949 179.222 2.727 19087 368 1 . 1 1 89 89 ALA CA C 89 55.282 55.282 54.803 0.479 19087 369 1 . 1 1 89 89 ALA CB C 89 18.128 18.128 18.063 0.065 19087 370 1 . 1 1 89 89 ALA H H 89 8.388 8.388 7.711 0.677 19087 371 1 . 1 1 90 90 THR N N 90 115.279 115.279 113.202 2.077 19087 372 1 . 1 1 90 90 THR HA H 90 4.146 4.146 4.094 0.052 19087 373 1 . 1 1 90 90 THR C C 90 175.118 175.118 176.228 -1.110 19087 374 1 . 1 1 90 90 THR CA C 90 66.607 66.607 65.071 1.536 19087 375 1 . 1 1 90 90 THR CB C 90 68.971 68.971 68.707 0.264 19087 376 1 . 1 1 90 90 THR H H 90 7.640 7.640 7.644 -0.004 19087 377 1 . 1 1 91 91 ALA N N 91 124.784 124.784 123.416 1.368 19087 378 1 . 1 1 91 91 ALA HA H 91 3.769 3.769 4.028 -0.259 19087 379 1 . 1 1 91 91 ALA C C 91 178.546 178.546 178.757 -0.211 19087 380 1 . 1 1 91 91 ALA CA C 91 55.552 55.552 54.865 0.687 19087 381 1 . 1 1 91 91 ALA CB C 91 19.253 19.253 18.404 0.849 19087 382 1 . 1 1 91 91 ALA H H 91 9.095 9.095 7.753 1.342 19087 383 1 . 1 1 92 92 ASP N N 92 118.310 118.310 119.500 -1.190 19087 384 1 . 1 1 92 92 ASP HA H 92 4.417 4.417 4.234 0.183 19087 385 1 . 1 1 92 92 ASP C C 92 179.053 179.053 178.026 1.027 19087 386 1 . 1 1 92 92 ASP CA C 92 57.642 57.642 57.489 0.153 19087 387 1 . 1 1 92 92 ASP CB C 92 40.429 40.429 40.665 -0.236 19087 388 1 . 1 1 92 92 ASP H H 92 8.898 8.898 7.931 0.967 19087 389 1 . 1 1 93 93 ALA N N 93 122.980 122.980 121.490 1.490 19087 390 1 . 1 1 93 93 ALA HA H 93 4.274 4.274 4.043 0.231 19087 391 1 . 1 1 93 93 ALA C C 93 180.933 180.933 179.528 1.405 19087 392 1 . 1 1 93 93 ALA CA C 93 55.575 55.575 55.037 0.538 19087 393 1 . 1 1 93 93 ALA CB C 93 18.176 18.176 18.602 -0.426 19087 394 1 . 1 1 93 93 ALA H H 93 7.424 7.424 7.454 -0.030 19087 395 1 . 1 1 94 94 VAL N N 94 123.968 123.968 118.362 5.606 19087 396 1 . 1 1 94 94 VAL HA H 94 2.944 2.944 3.701 -0.757 19087 397 1 . 1 1 94 94 VAL C C 94 178.269 178.269 178.267 0.002 19087 398 1 . 1 1 94 94 VAL CA C 94 66.399 66.399 66.276 0.124 19087 399 1 . 1 1 94 94 VAL CB C 94 30.703 30.703 31.478 -0.775 19087 400 1 . 1 1 94 94 VAL H H 94 8.808 8.808 7.484 1.324 19087 401 1 . 1 1 95 95 GLY N N 95 108.282 108.282 106.468 1.814 19087 402 1 . 1 1 95 95 GLY C C 95 176.440 176.440 175.717 0.723 19087 403 1 . 1 1 95 95 GLY CA C 95 47.919 47.919 47.083 0.836 19087 404 1 . 1 1 95 95 GLY H H 95 9.355 9.355 8.331 1.024 19087 405 1 . 1 1 96 96 ARG N N 96 120.852 120.852 119.817 1.035 19087 406 1 . 1 1 96 96 ARG HA H 96 4.203 4.203 4.191 0.012 19087 407 1 . 1 1 96 96 ARG C C 96 179.101 179.101 178.080 1.021 19087 408 1 . 1 1 96 96 ARG CA C 96 59.210 59.210 58.640 0.570 19087 409 1 . 1 1 96 96 ARG CB C 96 30.534 30.534 30.326 0.208 19087 410 1 . 1 1 96 96 ARG H H 96 8.112 8.112 7.699 0.413 19087 411 1 . 1 1 97 97 THR N N 97 117.170 117.170 114.974 2.196 19087 412 1 . 1 1 97 97 THR HA H 97 3.986 3.986 4.124 -0.138 19087 413 1 . 1 1 97 97 THR C C 97 175.451 175.451 175.845 -0.394 19087 414 1 . 1 1 97 97 THR CA C 97 66.867 66.867 65.260 1.607 19087 415 1 . 1 1 97 97 THR CB C 97 68.205 68.205 69.007 -0.802 19087 416 1 . 1 1 97 97 THR H H 97 7.854 7.854 7.621 0.233 19087 417 1 . 1 1 98 98 LEU N N 98 115.294 115.294 120.211 -4.917 19087 418 1 . 1 1 98 98 LEU HA H 98 4.305 4.305 4.408 -0.103 19087 419 1 . 1 1 98 98 LEU C C 98 177.537 177.537 177.397 0.140 19087 420 1 . 1 1 98 98 LEU CA C 98 54.583 54.583 55.190 -0.607 19087 421 1 . 1 1 98 98 LEU CB C 98 43.373 43.373 42.828 0.545 19087 422 1 . 1 1 98 98 LEU H H 98 7.855 7.855 7.857 -0.002 19087 423 1 . 1 1 99 99 GLY N N 99 111.931 111.931 106.865 5.066 19087 424 1 . 1 1 99 99 GLY C C 99 173.997 173.997 173.926 0.071 19087 425 1 . 1 1 99 99 GLY CA C 99 46.993 46.993 45.090 1.903 19087 426 1 . 1 1 99 99 GLY H H 99 8.101 8.101 7.712 0.389 19087 427 1 . 1 1 100 100 ALA N N 100 121.739 121.739 121.726 0.013 19087 428 1 . 1 1 100 100 ALA HA H 100 4.737 4.737 4.564 0.173 19087 429 1 . 1 1 100 100 ALA C C 100 175.351 175.351 175.670 -0.319 19087 430 1 . 1 1 100 100 ALA CA C 100 50.406 50.406 50.680 -0.274 19087 431 1 . 1 1 100 100 ALA CB C 100 23.959 23.959 21.423 2.536 19087 432 1 . 1 1 100 100 ALA H H 100 8.033 8.033 7.675 0.358 19087 433 1 . 1 1 101 101 ALA N N 101 122.895 122.895 123.046 -0.151 19087 434 1 . 1 1 101 101 ALA HA H 101 4.209 4.209 4.509 -0.300 19087 435 1 . 1 1 101 101 ALA C C 101 175.179 175.179 176.401 -1.222 19087 436 1 . 1 1 101 101 ALA CA C 101 52.737 52.737 51.797 0.940 19087 437 1 . 1 1 101 101 ALA CB C 101 19.814 19.814 19.435 0.379 19087 438 1 . 1 1 101 101 ALA H H 101 7.782 7.782 8.427 -0.645 19087 439 1 . 1 1 102 102 VAL N N 102 120.035 120.035 119.114 0.921 19087 440 1 . 1 1 102 102 VAL HA H 102 5.054 5.054 4.994 0.060 19087 441 1 . 1 1 102 102 VAL C C 102 176.587 176.587 175.411 1.176 19087 442 1 . 1 1 102 102 VAL CA C 102 60.988 60.988 60.622 0.366 19087 443 1 . 1 1 102 102 VAL CB C 102 33.725 33.725 33.101 0.624 19087 444 1 . 1 1 102 102 VAL H H 102 7.872 7.872 8.220 -0.348 19087 445 1 . 1 1 103 103 GLU N N 103 126.469 126.469 125.879 0.590 19087 446 1 . 1 1 103 103 GLU HA H 103 4.879 4.879 4.559 0.320 19087 447 1 . 1 1 103 103 GLU C C 103 174.343 174.343 174.520 -0.177 19087 448 1 . 1 1 103 103 GLU CA C 103 54.351 54.351 54.159 0.192 19087 449 1 . 1 1 103 103 GLU CB C 103 35.595 35.595 33.519 2.076 19087 450 1 . 1 1 103 103 GLU H H 103 9.215 9.215 8.593 0.622 19087 451 1 . 1 1 104 104 LEU N N 104 123.109 123.109 120.399 2.710 19087 452 1 . 1 1 104 104 LEU HA H 104 3.591 3.591 3.975 -0.384 19087 453 1 . 1 1 104 104 LEU C C 104 178.379 178.379 178.130 0.250 19087 454 1 . 1 1 104 104 LEU CA C 104 54.920 54.920 55.159 -0.239 19087 455 1 . 1 1 104 104 LEU CB C 104 42.910 42.910 42.545 0.365 19087 456 1 . 1 1 104 104 LEU H H 104 8.273 8.273 8.339 -0.066 19087 457 1 . 1 1 105 105 ARG N N 105 119.790 119.790 119.590 0.200 19087 458 1 . 1 1 105 105 ARG HA H 105 4.261 4.261 4.131 0.130 19087 459 1 . 1 1 105 105 ARG C C 105 177.043 177.043 176.275 0.768 19087 460 1 . 1 1 105 105 ARG CA C 105 59.310 59.310 57.053 2.257 19087 461 1 . 1 1 105 105 ARG CB C 105 32.077 32.077 29.530 2.547 19087 462 1 . 1 1 105 105 ARG H H 105 8.300 8.300 8.297 0.003 19087 463 1 . 1 1 106 106 LEU N N 106 122.431 122.431 117.578 4.853 19087 464 1 . 1 1 106 106 LEU HA H 106 4.398 4.398 4.134 0.264 19087 465 1 . 1 1 106 106 LEU CA C 106 54.701 54.701 55.739 -1.038 19087 466 1 . 1 1 106 106 LEU CB C 106 42.469 42.469 40.177 2.292 19087 467 1 . 1 1 106 106 LEU H H 106 8.026 8.026 7.716 0.310 19087 468 1 . 1 1 107 107 PRO HA H 107 4.239 4.239 4.219 0.020 19087 469 1 . 1 1 107 107 PRO C C 107 179.627 179.627 178.113 1.514 19087 470 1 . 1 1 107 107 PRO CA C 107 65.898 65.898 65.018 0.880 19087 471 1 . 1 1 107 107 PRO CB C 107 31.519 31.519 31.539 -0.020 19087 472 1 . 1 1 108 108 GLU N N 108 116.744 116.744 118.031 -1.287 19087 473 1 . 1 1 108 108 GLU HA H 108 4.098 4.098 4.073 0.025 19087 474 1 . 1 1 108 108 GLU C C 108 176.957 176.957 178.283 -1.326 19087 475 1 . 1 1 108 108 GLU CA C 108 59.584 59.584 58.705 0.879 19087 476 1 . 1 1 108 108 GLU CB C 108 29.157 29.157 28.613 0.544 19087 477 1 . 1 1 108 108 GLU H H 108 9.605 9.605 8.495 1.110 19087 478 1 . 1 1 109 109 LEU N N 109 116.575 116.575 119.088 -2.513 19087 479 1 . 1 1 109 109 LEU HA H 109 4.530 4.530 4.194 0.336 19087 480 1 . 1 1 109 109 LEU C C 109 177.894 177.894 177.765 0.129 19087 481 1 . 1 1 109 109 LEU CA C 109 53.489 53.489 56.295 -2.806 19087 482 1 . 1 1 109 109 LEU CB C 109 42.241 42.241 41.480 0.761 19087 483 1 . 1 1 109 109 LEU H H 109 7.630 7.630 7.660 -0.030 19087 484 1 . 1 1 110 110 SER N N 110 117.031 117.031 114.247 2.784 19087 485 1 . 1 1 110 110 SER HA H 110 3.943 3.943 4.249 -0.306 19087 486 1 . 1 1 110 110 SER C C 110 174.273 174.273 175.387 -1.114 19087 487 1 . 1 1 110 110 SER CA C 110 59.543 59.543 60.651 -1.108 19087 488 1 . 1 1 110 110 SER CB C 110 63.609 63.609 63.350 0.259 19087 489 1 . 1 1 110 110 SER H H 110 7.757 7.757 7.713 0.044 19087 490 1 . 1 1 111 111 ASP N N 111 117.804 117.804 120.048 -2.244 19087 491 1 . 1 1 111 111 ASP HA H 111 4.582 4.582 4.661 -0.079 19087 492 1 . 1 1 111 111 ASP C C 111 176.760 176.760 175.727 1.033 19087 493 1 . 1 1 111 111 ASP CA C 111 53.976 53.976 54.826 -0.850 19087 494 1 . 1 1 111 111 ASP CB C 111 40.183 40.183 42.015 -1.832 19087 495 1 . 1 1 111 111 ASP H H 111 8.315 8.315 7.724 0.591 19087 496 1 . 1 1 112 112 GLN N N 112 119.300 119.300 118.827 0.473 19087 497 1 . 1 1 112 112 GLN HA H 112 4.300 4.300 4.419 -0.119 19087 498 1 . 1 1 112 112 GLN CA C 112 55.014 55.014 54.274 0.740 19087 499 1 . 1 1 112 112 GLN CB C 112 26.568 26.568 28.154 -1.586 19087 500 1 . 1 1 112 112 GLN H H 112 7.212 7.212 7.620 -0.408 19087 501 1 . 1 1 114 114 PRO HA H 114 4.527 4.527 4.369 0.158 19087 502 1 . 1 1 114 114 PRO C C 114 175.464 175.464 176.747 -1.283 19087 503 1 . 1 1 114 114 PRO CA C 114 64.069 64.069 63.188 0.881 19087 504 1 . 1 1 114 114 PRO CB C 114 32.447 32.447 32.268 0.179 19087 505 1 . 1 1 115 115 GLY N N 115 113.817 113.817 108.581 5.237 19087 506 1 . 1 1 115 115 GLY C C 115 173.552 173.552 173.300 0.252 19087 507 1 . 1 1 115 115 GLY CA C 115 43.953 43.953 44.782 -0.829 19087 508 1 . 1 1 115 115 GLY H H 115 8.443 8.443 8.038 0.405 19087 509 1 . 1 1 116 116 VAL N N 116 122.049 122.049 122.044 0.005 19087 510 1 . 1 1 116 116 VAL HA H 116 4.131 4.131 4.441 -0.310 19087 511 1 . 1 1 116 116 VAL C C 116 174.533 174.533 175.700 -1.167 19087 512 1 . 1 1 116 116 VAL CA C 116 63.916 63.916 63.294 0.622 19087 513 1 . 1 1 116 116 VAL CB C 116 32.342 32.342 32.298 0.044 19087 514 1 . 1 1 116 116 VAL H H 116 8.957 8.957 8.101 0.856 19087 515 1 . 1 1 117 117 ILE N N 117 126.102 126.102 125.023 1.079 19087 516 1 . 1 1 117 117 ILE HA H 117 4.939 4.939 5.235 -0.296 19087 517 1 . 1 1 117 117 ILE C C 117 174.181 174.181 174.878 -0.697 19087 518 1 . 1 1 117 117 ILE CA C 117 60.069 60.069 58.958 1.111 19087 519 1 . 1 1 117 117 ILE CB C 117 42.368 42.368 39.954 2.414 19087 520 1 . 1 1 117 117 ILE H H 117 7.863 7.863 8.625 -0.762 19087 521 1 . 1 1 118 118 VAL N N 118 127.665 127.665 127.698 -0.033 19087 522 1 . 1 1 118 118 VAL HA H 118 4.924 4.924 4.317 0.607 19087 523 1 . 1 1 118 118 VAL C C 118 175.224 175.224 174.723 0.501 19087 524 1 . 1 1 118 118 VAL CA C 118 60.580 60.580 61.169 -0.589 19087 525 1 . 1 1 118 118 VAL CB C 118 33.945 33.945 32.014 1.932 19087 526 1 . 1 1 118 118 VAL H H 118 9.348 9.348 8.601 0.747 19087 527 1 . 1 1 119 119 VAL N N 119 121.828 121.828 129.756 -7.928 19087 528 1 . 1 1 119 119 VAL HA H 119 5.563 5.563 4.923 0.640 19087 529 1 . 1 1 119 119 VAL C C 119 174.425 174.425 174.962 -0.537 19087 530 1 . 1 1 119 119 VAL CA C 119 58.691 58.691 60.839 -2.148 19087 531 1 . 1 1 119 119 VAL CB C 119 32.886 32.886 32.846 0.040 19087 532 1 . 1 1 119 119 VAL H H 119 9.096 9.096 8.573 0.523 19087 533 1 . 1 1 120 120 VAL N N 120 120.260 120.260 128.075 -7.815 19087 534 1 . 1 1 120 120 VAL HA H 120 4.818 4.818 4.453 0.365 19087 535 1 . 1 1 120 120 VAL C C 120 175.649 175.649 175.168 0.481 19087 536 1 . 1 1 120 120 VAL CA C 120 60.631 60.631 60.506 0.125 19087 537 1 . 1 1 120 120 VAL CB C 120 34.550 34.550 34.054 0.496 19087 538 1 . 1 1 120 120 VAL H H 120 8.809 8.809 8.553 0.256 19087 539 1 . 1 1 121 121 THR N N 121 114.564 114.564 119.091 -4.527 19087 540 1 . 1 1 121 121 THR HA H 121 4.428 4.428 4.595 -0.167 19087 541 1 . 1 1 121 121 THR C C 121 173.833 173.833 174.204 -0.371 19087 542 1 . 1 1 121 121 THR CA C 121 60.834 60.834 60.439 0.395 19087 543 1 . 1 1 121 121 THR CB C 121 69.413 69.413 70.238 -0.825 19087 544 1 . 1 1 121 121 THR H H 121 7.859 7.859 8.448 -0.589 19087 stop_ save_