data_17668 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17668 _Entry.PDB_ID 2LDI 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 17668 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LEU N N 7 119.727 119.727 116.022 3.705 17668 2 1 1 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.980 -0.642 17668 3 1 1 . 1 1 2 2 LEU C C 7 176.410 176.410 174.937 1.473 17668 4 1 1 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.503 -0.493 17668 5 1 1 . 1 1 2 2 LEU CB C 7 43.226 43.226 45.590 -2.364 17668 6 1 1 . 1 1 2 2 LEU H H 7 7.919 7.919 8.181 -0.262 17668 7 1 1 . 1 1 3 3 LYS N N 8 123.008 123.008 120.716 2.292 17668 8 1 1 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.670 -0.305 17668 9 1 1 . 1 1 3 3 LYS C C 8 174.512 174.512 175.255 -0.743 17668 10 1 1 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.506 0.235 17668 11 1 1 . 1 1 3 3 LYS CB C 8 35.723 35.723 36.002 -0.279 17668 12 1 1 . 1 1 3 3 LYS H H 8 8.650 8.650 8.658 -0.008 17668 13 1 1 . 1 1 4 4 THR N N 9 120.273 120.273 116.478 3.795 17668 14 1 1 . 1 1 4 4 THR HA H 9 5.372 5.372 4.310 1.062 17668 15 1 1 . 1 1 4 4 THR C C 9 174.170 174.170 174.599 -0.429 17668 16 1 1 . 1 1 4 4 THR CA C 9 61.756 61.756 63.476 -1.720 17668 17 1 1 . 1 1 4 4 THR CB C 9 70.757 70.757 69.315 1.442 17668 18 1 1 . 1 1 4 4 THR H H 9 8.481 8.481 8.393 0.088 17668 19 1 1 . 1 1 5 5 GLN N N 10 126.836 126.836 123.545 3.291 17668 20 1 1 . 1 1 5 5 GLN C C 10 173.651 173.651 173.267 0.384 17668 21 1 1 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.465 -1.229 17668 22 1 1 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.512 1.972 17668 23 1 1 . 1 1 5 5 GLN H H 10 9.295 9.295 8.410 0.885 17668 24 1 1 . 1 1 6 6 GLN N N 11 121.367 121.367 122.465 -1.098 17668 25 1 1 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.463 0.183 17668 26 1 1 . 1 1 6 6 GLN C C 11 176.069 176.069 174.211 1.858 17668 27 1 1 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.175 -0.415 17668 28 1 1 . 1 1 6 6 GLN CB C 11 31.237 31.237 32.723 -1.486 17668 29 1 1 . 1 1 6 6 GLN H H 11 8.425 8.425 8.565 -0.140 17668 30 1 1 . 1 1 7 7 MET N N 12 120.273 120.273 116.703 3.570 17668 31 1 1 . 1 1 7 7 MET C C 12 173.824 173.824 174.003 -0.179 17668 32 1 1 . 1 1 7 7 MET CA C 12 54.598 54.598 54.248 0.350 17668 33 1 1 . 1 1 7 7 MET CB C 12 37.258 37.258 36.303 0.955 17668 34 1 1 . 1 1 7 7 MET H H 12 9.294 9.294 8.980 0.314 17668 35 1 1 . 1 1 8 8 GLN N N 13 122.461 122.461 119.273 3.188 17668 36 1 1 . 1 1 8 8 GLN C C 13 174.863 174.863 174.356 0.507 17668 37 1 1 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.651 -0.898 17668 38 1 1 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.779 -0.536 17668 39 1 1 . 1 1 8 8 GLN H H 13 8.790 8.790 8.616 0.174 17668 40 1 1 . 1 1 9 9 VAL N N 14 126.289 126.289 121.373 4.916 17668 41 1 1 . 1 1 9 9 VAL C C 14 176.586 176.586 174.602 1.984 17668 42 1 1 . 1 1 9 9 VAL CA C 14 61.255 61.255 59.823 1.432 17668 43 1 1 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.135 -1.668 17668 44 1 1 . 1 1 9 9 VAL H H 14 8.930 8.930 7.989 0.941 17668 45 1 1 . 1 1 10 10 GLY N N 15 117.539 117.539 114.969 2.570 17668 46 1 1 . 1 1 10 10 GLY C C 15 173.997 173.997 174.447 -0.450 17668 47 1 1 . 1 1 10 10 GLY CA C 15 44.245 44.245 45.081 -0.836 17668 48 1 1 . 1 1 10 10 GLY H H 15 9.351 9.351 8.971 0.380 17668 49 1 1 . 1 1 11 11 GLY N N 16 107.149 107.149 113.207 -6.058 17668 50 1 1 . 1 1 11 11 GLY C C 16 176.067 176.067 174.852 1.215 17668 51 1 1 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.753 -0.497 17668 52 1 1 . 1 1 11 11 GLY H H 16 8.284 8.284 8.242 0.042 17668 53 1 1 . 1 1 12 12 MET N N 17 118.633 118.633 119.477 -0.844 17668 54 1 1 . 1 1 12 12 MET C C 17 177.102 177.102 175.991 1.111 17668 55 1 1 . 1 1 12 12 MET CA C 17 57.740 57.740 56.983 0.758 17668 56 1 1 . 1 1 12 12 MET CB C 17 34.243 34.243 32.666 1.577 17668 57 1 1 . 1 1 12 12 MET H H 17 8.509 8.509 7.568 0.941 17668 58 1 1 . 1 1 13 13 ARG N N 18 126.836 126.836 116.191 10.645 17668 59 1 1 . 1 1 13 13 ARG C C 18 175.032 175.032 176.405 -1.373 17668 60 1 1 . 1 1 13 13 ARG CA C 18 57.239 57.239 57.143 0.096 17668 61 1 1 . 1 1 13 13 ARG CB C 18 32.744 32.744 30.254 2.490 17668 62 1 1 . 1 1 13 13 ARG H H 18 10.782 10.782 7.905 2.877 17668 63 1 1 . 1 1 14 14 CYS N N 19 114.805 114.805 115.896 -1.091 17668 64 1 1 . 1 1 14 14 CYS CA C 19 56.217 56.217 60.404 -4.188 17668 65 1 1 . 1 1 14 14 CYS CB C 19 30.413 30.413 25.864 4.549 17668 66 1 1 . 1 1 14 14 CYS H H 19 8.425 8.425 8.429 -0.004 17668 67 1 1 . 1 1 15 15 ALA CA C 20 51.257 51.257 51.813 -0.556 17668 68 1 1 . 1 1 15 15 ALA CB C 20 19.247 19.247 20.523 -1.276 17668 69 1 1 . 1 1 16 16 ALA N N 21 118.906 118.906 121.019 -2.113 17668 70 1 1 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.367 -0.220 17668 71 1 1 . 1 1 16 16 ALA C C 21 180.553 180.553 179.256 1.297 17668 72 1 1 . 1 1 16 16 ALA CA C 21 54.756 54.756 53.865 0.891 17668 73 1 1 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.390 -0.157 17668 74 1 1 . 1 1 17 17 CYS N N 22 121.914 121.914 117.287 4.627 17668 75 1 1 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.147 -0.326 17668 76 1 1 . 1 1 17 17 CYS C C 22 177.966 177.966 177.050 0.916 17668 77 1 1 . 1 1 17 17 CYS CA C 22 64.748 64.748 61.595 3.153 17668 78 1 1 . 1 1 17 17 CYS CB C 22 29.245 29.245 25.780 3.465 17668 79 1 1 . 1 1 17 17 CYS H H 22 7.640 7.640 8.174 -0.534 17668 80 1 1 . 1 1 18 18 ALA N N 23 119.180 119.180 122.876 -3.696 17668 81 1 1 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.924 -0.321 17668 82 1 1 . 1 1 18 18 ALA C C 23 179.173 179.173 178.785 0.388 17668 83 1 1 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.762 0.496 17668 84 1 1 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.215 0.526 17668 85 1 1 . 1 1 18 18 ALA H H 23 6.629 6.629 8.141 -1.512 17668 86 1 1 . 1 1 19 19 SER N N 24 112.618 112.618 113.005 -0.387 17668 87 1 1 . 1 1 19 19 SER HA H 24 4.147 4.147 4.207 -0.060 17668 88 1 1 . 1 1 19 19 SER C C 24 176.764 176.764 176.709 0.055 17668 89 1 1 . 1 1 19 19 SER CA C 24 61.259 61.259 61.584 -0.325 17668 90 1 1 . 1 1 19 19 SER CB C 24 62.754 62.754 62.573 0.181 17668 91 1 1 . 1 1 19 19 SER H H 24 7.752 7.752 8.346 -0.594 17668 92 1 1 . 1 1 20 20 SER N N 25 116.992 116.992 118.208 -1.216 17668 93 1 1 . 1 1 20 20 SER HA H 25 3.521 3.521 4.394 -0.873 17668 94 1 1 . 1 1 20 20 SER C C 25 177.448 177.448 175.470 1.978 17668 95 1 1 . 1 1 20 20 SER CA C 25 61.870 61.870 60.748 1.122 17668 96 1 1 . 1 1 20 20 SER CB C 25 62.751 62.751 63.287 -0.536 17668 97 1 1 . 1 1 20 20 SER H H 25 7.989 7.989 8.093 -0.104 17668 98 1 1 . 1 1 21 21 ILE N N 26 122.461 122.461 120.914 1.547 17668 99 1 1 . 1 1 21 21 ILE HA H 26 3.330 3.330 4.312 -0.983 17668 100 1 1 . 1 1 21 21 ILE C C 26 176.930 176.930 177.498 -0.568 17668 101 1 1 . 1 1 21 21 ILE CA C 26 66.255 66.255 61.472 4.783 17668 102 1 1 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.443 -0.206 17668 103 1 1 . 1 1 21 21 ILE H H 26 7.583 7.583 7.570 0.013 17668 104 1 1 . 1 1 22 22 GLU N N 27 116.992 116.992 120.565 -3.573 17668 105 1 1 . 1 1 22 22 GLU HA H 27 3.466 3.466 4.129 -0.663 17668 106 1 1 . 1 1 22 22 GLU C C 27 178.916 178.916 178.561 0.355 17668 107 1 1 . 1 1 22 22 GLU CA C 27 60.753 60.753 58.564 2.189 17668 108 1 1 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.963 -0.256 17668 109 1 1 . 1 1 22 22 GLU H H 27 8.004 8.004 8.422 -0.418 17668 110 1 1 . 1 1 23 23 ARG N N 28 114.805 114.805 119.604 -4.799 17668 111 1 1 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.098 -0.142 17668 112 1 1 . 1 1 23 23 ARG C C 28 179.517 179.517 178.180 1.337 17668 113 1 1 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.850 -0.098 17668 114 1 1 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.089 0.657 17668 115 1 1 . 1 1 23 23 ARG H H 28 8.256 8.256 7.831 0.425 17668 116 1 1 . 1 1 24 24 ALA N N 29 118.633 118.633 121.321 -2.688 17668 117 1 1 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.153 -0.196 17668 118 1 1 . 1 1 24 24 ALA C C 29 181.073 181.073 179.655 1.418 17668 119 1 1 . 1 1 24 24 ALA CA C 29 54.749 54.749 54.392 0.357 17668 120 1 1 . 1 1 24 24 ALA CB C 29 18.729 18.729 17.902 0.827 17668 121 1 1 . 1 1 24 24 ALA H H 29 7.555 7.555 8.106 -0.551 17668 122 1 1 . 1 1 25 25 LEU N N 30 115.899 115.899 120.107 -4.208 17668 123 1 1 . 1 1 25 25 LEU HA H 30 3.984 3.984 3.956 0.028 17668 124 1 1 . 1 1 25 25 LEU C C 30 178.658 178.658 178.457 0.201 17668 125 1 1 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.970 -0.749 17668 126 1 1 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.371 -0.123 17668 127 1 1 . 1 1 25 25 LEU H H 30 7.976 7.976 8.042 -0.066 17668 128 1 1 . 1 1 26 26 GLU N N 31 115.899 115.899 115.734 0.165 17668 129 1 1 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.226 -0.488 17668 130 1 1 . 1 1 26 26 GLU C C 31 177.793 177.793 177.834 -0.041 17668 131 1 1 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.922 0.805 17668 132 1 1 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.255 -0.014 17668 133 1 1 . 1 1 26 26 GLU H H 31 8.116 8.116 7.962 0.154 17668 134 1 1 . 1 1 27 27 ARG N N 32 114.258 114.258 118.363 -4.105 17668 135 1 1 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.396 -0.249 17668 136 1 1 . 1 1 27 27 ARG C C 32 176.757 176.757 176.732 0.025 17668 137 1 1 . 1 1 27 27 ARG CA C 32 56.250 56.250 56.317 -0.067 17668 138 1 1 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.172 -0.428 17668 139 1 1 . 1 1 27 27 ARG H H 32 6.854 6.854 8.204 -1.350 17668 140 1 1 . 1 1 28 28 LEU N N 33 123.008 123.008 120.914 2.094 17668 141 1 1 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.173 0.029 17668 142 1 1 . 1 1 28 28 LEU C C 33 176.412 176.412 176.496 -0.084 17668 143 1 1 . 1 1 28 28 LEU CA C 33 54.249 54.249 54.687 -0.438 17668 144 1 1 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.169 -0.430 17668 145 1 1 . 1 1 28 28 LEU H H 33 7.501 7.501 7.459 0.042 17668 146 1 1 . 1 1 29 29 LYS N N 34 127.383 127.383 124.343 3.040 17668 147 1 1 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.277 -0.403 17668 148 1 1 . 1 1 29 29 LYS C C 34 176.412 176.412 177.040 -0.628 17668 149 1 1 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.523 1.719 17668 150 1 1 . 1 1 29 29 LYS CB C 34 31.746 31.746 33.170 -1.425 17668 151 1 1 . 1 1 29 29 LYS H H 34 8.341 8.341 8.581 -0.240 17668 152 1 1 . 1 1 30 30 GLY N N 35 111.524 111.524 111.949 -0.425 17668 153 1 1 . 1 1 30 30 GLY C C 35 175.715 175.715 173.527 2.188 17668 154 1 1 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.076 0.412 17668 155 1 1 . 1 1 30 30 GLY H H 35 8.509 8.509 8.705 -0.196 17668 156 1 1 . 1 1 31 31 VAL N N 36 122.461 122.461 113.755 8.706 17668 157 1 1 . 1 1 31 31 VAL HA H 36 3.874 3.874 5.197 -1.323 17668 158 1 1 . 1 1 31 31 VAL C C 36 175.032 175.032 174.233 0.799 17668 159 1 1 . 1 1 31 31 VAL CA C 36 63.757 63.757 59.551 4.206 17668 160 1 1 . 1 1 31 31 VAL CB C 36 31.250 31.250 34.702 -3.452 17668 161 1 1 . 1 1 31 31 VAL H H 36 7.892 7.892 7.507 0.385 17668 162 1 1 . 1 1 32 32 ALA N N 37 131.758 131.758 123.160 8.598 17668 163 1 1 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.663 -0.298 17668 164 1 1 . 1 1 32 32 ALA C C 37 177.619 177.619 176.641 0.978 17668 165 1 1 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.304 0.942 17668 166 1 1 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.689 -0.967 17668 167 1 1 . 1 1 32 32 ALA H H 37 9.042 9.042 8.663 0.379 17668 168 1 1 . 1 1 33 33 GLU N N 38 114.258 114.258 117.940 -3.682 17668 169 1 1 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.590 -0.089 17668 170 1 1 . 1 1 33 33 GLU C C 38 173.651 173.651 173.872 -0.221 17668 171 1 1 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.687 -1.110 17668 172 1 1 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.860 0.806 17668 173 1 1 . 1 1 33 33 GLU H H 38 7.555 7.555 7.925 -0.370 17668 174 1 1 . 1 1 34 34 ALA N N 39 125.742 125.742 125.146 0.596 17668 175 1 1 . 1 1 34 34 ALA HA H 39 5.101 5.101 4.907 0.194 17668 176 1 1 . 1 1 34 34 ALA C C 39 175.033 175.033 175.544 -0.511 17668 177 1 1 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.884 -0.604 17668 178 1 1 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.184 1.053 17668 179 1 1 . 1 1 34 34 ALA H H 39 9.014 9.014 8.362 0.652 17668 180 1 1 . 1 1 35 35 SER N N 40 113.711 113.711 116.211 -2.500 17668 181 1 1 . 1 1 35 35 SER HA H 40 4.855 4.855 4.949 -0.094 17668 182 1 1 . 1 1 35 35 SER C C 40 173.824 173.824 173.905 -0.081 17668 183 1 1 . 1 1 35 35 SER CA C 40 56.254 56.254 58.176 -1.922 17668 184 1 1 . 1 1 35 35 SER CB C 40 65.255 65.255 65.302 -0.047 17668 185 1 1 . 1 1 35 35 SER H H 40 8.481 8.481 8.875 -0.394 17668 186 1 1 . 1 1 36 36 VAL N N 41 129.570 129.570 124.422 5.148 17668 187 1 1 . 1 1 36 36 VAL C C 41 175.204 175.204 175.581 -0.377 17668 188 1 1 . 1 1 36 36 VAL CA C 41 60.265 60.265 61.127 -0.862 17668 189 1 1 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.429 1.313 17668 190 1 1 . 1 1 36 36 VAL H H 41 10.164 10.164 9.389 0.775 17668 191 1 1 . 1 1 37 37 THR N N 42 123.008 123.008 118.813 4.195 17668 192 1 1 . 1 1 37 37 THR HA H 42 4.392 4.392 4.645 -0.253 17668 193 1 1 . 1 1 37 37 THR C C 42 175.030 175.030 174.543 0.487 17668 194 1 1 . 1 1 37 37 THR CA C 42 60.760 60.760 60.461 0.299 17668 195 1 1 . 1 1 37 37 THR CB C 42 69.255 69.255 70.005 -0.750 17668 196 1 1 . 1 1 37 37 THR H H 42 8.453 8.453 8.488 -0.035 17668 197 1 1 . 1 1 38 38 VAL N N 43 128.476 128.476 130.161 -1.685 17668 198 1 1 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.841 -0.539 17668 199 1 1 . 1 1 38 38 VAL C C 43 176.067 176.067 177.141 -1.074 17668 200 1 1 . 1 1 38 38 VAL CA C 43 63.268 63.268 64.932 -1.664 17668 201 1 1 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.689 0.539 17668 202 1 1 . 1 1 38 38 VAL H H 43 8.789 8.789 8.903 -0.114 17668 203 1 1 . 1 1 39 39 ALA N N 44 119.180 119.180 122.517 -3.337 17668 204 1 1 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.007 -0.023 17668 205 1 1 . 1 1 39 39 ALA C C 44 179.167 179.167 178.498 0.669 17668 206 1 1 . 1 1 39 39 ALA CA C 44 55.225 55.225 55.093 0.132 17668 207 1 1 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.358 0.637 17668 208 1 1 . 1 1 39 39 ALA H H 44 8.509 8.509 8.548 -0.039 17668 209 1 1 . 1 1 40 40 THR N N 45 135.586 135.586 108.171 27.415 17668 210 1 1 . 1 1 40 40 THR HA H 45 4.338 4.338 4.263 0.075 17668 211 1 1 . 1 1 40 40 THR C C 45 176.237 176.237 175.284 0.953 17668 212 1 1 . 1 1 40 40 THR CA C 45 60.254 60.254 62.091 -1.837 17668 213 1 1 . 1 1 40 40 THR CB C 45 70.261 70.261 70.641 -0.380 17668 214 1 1 . 1 1 40 40 THR H H 45 6.713 6.713 7.501 -0.788 17668 215 1 1 . 1 1 41 41 GLY N N 46 110.977 110.977 111.209 -0.232 17668 216 1 1 . 1 1 41 41 GLY C C 46 172.096 172.096 172.998 -0.902 17668 217 1 1 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.080 1.145 17668 218 1 1 . 1 1 41 41 GLY H H 46 7.835 7.835 7.868 -0.033 17668 219 1 1 . 1 1 42 42 ARG N N 47 118.086 118.086 117.669 0.417 17668 220 1 1 . 1 1 42 42 ARG C C 47 175.032 175.032 173.704 1.328 17668 221 1 1 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.321 1.929 17668 222 1 1 . 1 1 42 42 ARG CB C 47 31.739 31.739 34.933 -3.194 17668 223 1 1 . 1 1 42 42 ARG H H 47 7.303 7.303 8.048 -0.745 17668 224 1 1 . 1 1 43 43 LEU N N 48 129.023 129.023 119.510 9.513 17668 225 1 1 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.056 -0.037 17668 226 1 1 . 1 1 43 43 LEU C C 48 175.033 175.033 174.690 0.343 17668 227 1 1 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.878 -0.628 17668 228 1 1 . 1 1 43 43 LEU CB C 48 45.081 45.081 47.313 -2.232 17668 229 1 1 . 1 1 43 43 LEU H H 48 8.986 8.986 8.485 0.501 17668 230 1 1 . 1 1 44 44 THR N N 49 123.008 123.008 118.759 4.249 17668 231 1 1 . 1 1 44 44 THR HA H 49 4.964 4.964 5.365 -0.401 17668 232 1 1 . 1 1 44 44 THR C C 49 173.475 173.475 172.840 0.635 17668 233 1 1 . 1 1 44 44 THR CA C 49 61.752 61.752 61.654 0.098 17668 234 1 1 . 1 1 44 44 THR CB C 49 69.756 69.756 71.047 -1.292 17668 235 1 1 . 1 1 44 44 THR H H 49 9.154 9.154 8.232 0.922 17668 236 1 1 . 1 1 45 45 VAL N N 50 125.195 125.195 124.557 0.638 17668 237 1 1 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.755 0.427 17668 238 1 1 . 1 1 45 45 VAL C C 50 172.614 172.614 173.329 -0.715 17668 239 1 1 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.182 -1.420 17668 240 1 1 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.518 -0.066 17668 241 1 1 . 1 1 45 45 VAL H H 50 9.071 9.071 9.332 -0.261 17668 242 1 1 . 1 1 46 46 THR N N 51 124.648 124.648 124.359 0.289 17668 243 1 1 . 1 1 46 46 THR HA H 51 5.782 5.782 5.050 0.732 17668 244 1 1 . 1 1 46 46 THR C C 51 174.684 174.684 173.403 1.281 17668 245 1 1 . 1 1 46 46 THR CA C 51 61.248 61.248 61.259 -0.011 17668 246 1 1 . 1 1 46 46 THR CB C 51 70.265 70.265 69.389 0.876 17668 247 1 1 . 1 1 46 46 THR H H 51 8.930 8.930 8.912 0.018 17668 248 1 1 . 1 1 47 47 TYR N N 52 124.648 124.648 124.091 0.557 17668 249 1 1 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.339 -0.048 17668 250 1 1 . 1 1 47 47 TYR C C 52 171.408 171.408 173.060 -1.652 17668 251 1 1 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.202 0.043 17668 252 1 1 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.008 0.746 17668 253 1 1 . 1 1 47 47 TYR H H 52 9.603 9.603 8.591 1.012 17668 254 1 1 . 1 1 48 48 ASP N N 53 119.180 119.180 122.031 -2.851 17668 255 1 1 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.377 -0.412 17668 256 1 1 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.691 -0.682 17668 257 1 1 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.795 -1.237 17668 258 1 1 . 1 1 48 48 ASP H H 53 8.481 8.481 8.713 -0.232 17668 259 1 1 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.931 0.442 17668 260 1 1 . 1 1 49 49 PRO C C 54 178.311 178.311 176.956 1.355 17668 261 1 1 . 1 1 49 49 PRO CA C 54 63.263 63.263 64.037 -0.774 17668 262 1 1 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.970 0.273 17668 263 1 1 . 1 1 50 50 LYS N N 55 116.992 116.992 117.912 -0.920 17668 264 1 1 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.452 -0.332 17668 265 1 1 . 1 1 50 50 LYS C C 55 177.802 177.802 178.081 -0.279 17668 266 1 1 . 1 1 50 50 LYS CA C 55 57.726 57.726 57.057 0.669 17668 267 1 1 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.725 -1.860 17668 268 1 1 . 1 1 50 50 LYS H H 55 8.284 8.284 8.152 0.132 17668 269 1 1 . 1 1 51 51 GLN N N 56 115.352 115.352 118.685 -3.333 17668 270 1 1 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.174 0.137 17668 271 1 1 . 1 1 51 51 GLN C C 56 175.031 175.031 176.738 -1.707 17668 272 1 1 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.450 -1.694 17668 273 1 1 . 1 1 51 51 GLN CB C 56 33.752 33.752 29.907 3.845 17668 274 1 1 . 1 1 51 51 GLN H H 56 7.864 7.864 8.579 -0.715 17668 275 1 1 . 1 1 52 52 VAL N N 57 120.273 120.273 110.789 9.484 17668 276 1 1 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.459 -0.066 17668 277 1 1 . 1 1 52 52 VAL C C 57 170.718 170.718 173.784 -3.066 17668 278 1 1 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.801 -0.029 17668 279 1 1 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.939 -0.711 17668 280 1 1 . 1 1 52 52 VAL H H 57 8.172 8.172 8.158 0.014 17668 281 1 1 . 1 1 53 53 SER N N 58 116.992 116.992 113.279 3.713 17668 282 1 1 . 1 1 53 53 SER C C 58 175.377 175.377 175.089 0.288 17668 283 1 1 . 1 1 53 53 SER CA C 58 55.251 55.251 57.473 -2.222 17668 284 1 1 . 1 1 53 53 SER CB C 58 66.750 66.750 65.985 0.765 17668 285 1 1 . 1 1 53 53 SER H H 58 7.611 7.611 8.004 -0.393 17668 286 1 1 . 1 1 54 54 GLU N N 59 120.820 120.820 120.558 0.262 17668 287 1 1 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.878 -0.520 17668 288 1 1 . 1 1 54 54 GLU C C 59 178.308 178.308 177.825 0.483 17668 289 1 1 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.827 0.916 17668 290 1 1 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.666 0.574 17668 291 1 1 . 1 1 54 54 GLU H H 59 8.930 8.930 8.915 0.015 17668 292 1 1 . 1 1 55 55 ILE N N 60 118.086 118.086 119.880 -1.794 17668 293 1 1 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.812 -0.074 17668 294 1 1 . 1 1 55 55 ILE C C 60 177.448 177.448 177.962 -0.514 17668 295 1 1 . 1 1 55 55 ILE CA C 60 63.749 63.749 62.601 1.148 17668 296 1 1 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.663 0.852 17668 297 1 1 . 1 1 55 55 ILE H H 60 7.583 7.583 7.826 -0.243 17668 298 1 1 . 1 1 56 56 THR N N 61 119.727 119.727 115.367 4.360 17668 299 1 1 . 1 1 56 56 THR HA H 61 3.766 3.766 4.137 -0.371 17668 300 1 1 . 1 1 56 56 THR C C 61 177.104 177.104 174.718 2.386 17668 301 1 1 . 1 1 56 56 THR CA C 61 66.264 66.264 65.520 0.744 17668 302 1 1 . 1 1 56 56 THR CB C 61 68.245 68.245 68.555 -0.310 17668 303 1 1 . 1 1 56 56 THR H H 61 7.471 7.471 8.002 -0.531 17668 304 1 1 . 1 1 57 57 ILE N N 62 121.367 121.367 120.719 0.648 17668 305 1 1 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.235 -1.204 17668 306 1 1 . 1 1 57 57 ILE C C 62 176.756 176.756 175.329 1.427 17668 307 1 1 . 1 1 57 57 ILE CA C 62 65.760 65.760 61.406 4.354 17668 308 1 1 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.844 -0.593 17668 309 1 1 . 1 1 57 57 ILE H H 62 7.259 7.259 7.822 -0.563 17668 310 1 1 . 1 1 58 58 GLN N N 63 117.539 117.539 120.654 -3.115 17668 311 1 1 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.951 -0.349 17668 312 1 1 . 1 1 58 58 GLN C C 63 179.172 179.172 177.871 1.301 17668 313 1 1 . 1 1 58 58 GLN CA C 63 59.755 59.755 60.061 -0.306 17668 314 1 1 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.905 -1.171 17668 315 1 1 . 1 1 58 58 GLN H H 63 7.976 7.976 8.527 -0.551 17668 316 1 1 . 1 1 59 59 GLU N N 64 119.180 119.180 119.172 0.008 17668 317 1 1 . 1 1 59 59 GLU HA H 64 3.874 3.874 3.967 -0.093 17668 318 1 1 . 1 1 59 59 GLU C C 64 179.866 179.866 178.920 0.946 17668 319 1 1 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.340 -0.081 17668 320 1 1 . 1 1 59 59 GLU CB C 64 29.700 29.700 28.985 0.715 17668 321 1 1 . 1 1 59 59 GLU H H 64 8.622 8.622 7.698 0.924 17668 322 1 1 . 1 1 60 60 ARG N N 65 119.727 119.727 117.644 2.083 17668 323 1 1 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.109 -0.016 17668 324 1 1 . 1 1 60 60 ARG C C 65 178.310 178.310 177.166 1.144 17668 325 1 1 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.641 -1.385 17668 326 1 1 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.909 -1.161 17668 327 1 1 . 1 1 60 60 ARG H H 65 7.891 7.891 8.539 -0.648 17668 328 1 1 . 1 1 61 61 ILE N N 66 118.086 118.086 118.451 -0.365 17668 329 1 1 . 1 1 61 61 ILE HA H 66 3.547 3.547 4.197 -0.650 17668 330 1 1 . 1 1 61 61 ILE C C 66 178.311 178.311 176.960 1.351 17668 331 1 1 . 1 1 61 61 ILE CA C 66 64.745 64.745 63.288 1.458 17668 332 1 1 . 1 1 61 61 ILE CB C 66 37.681 37.681 39.016 -1.335 17668 333 1 1 . 1 1 61 61 ILE H H 66 7.443 7.443 7.559 -0.116 17668 334 1 1 . 1 1 62 62 ALA N N 67 121.914 121.914 123.430 -1.516 17668 335 1 1 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.585 -0.056 17668 336 1 1 . 1 1 62 62 ALA C C 67 182.626 182.626 179.257 3.369 17668 337 1 1 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.422 -0.173 17668 338 1 1 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.875 -1.140 17668 339 1 1 . 1 1 62 62 ALA H H 67 8.116 8.116 8.526 -0.410 17668 340 1 1 . 1 1 63 63 ALA N N 68 121.367 121.367 120.062 1.305 17668 341 1 1 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.236 -0.224 17668 342 1 1 . 1 1 63 63 ALA C C 68 179.690 179.690 178.801 0.889 17668 343 1 1 . 1 1 63 63 ALA CA C 68 54.259 54.259 53.803 0.456 17668 344 1 1 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.688 -0.467 17668 345 1 1 . 1 1 63 63 ALA H H 68 7.948 7.948 8.015 -0.067 17668 346 1 1 . 1 1 64 64 LEU N N 69 116.445 116.445 117.650 -1.205 17668 347 1 1 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.230 -0.083 17668 348 1 1 . 1 1 64 64 LEU C C 69 176.931 176.931 176.800 0.131 17668 349 1 1 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.834 0.411 17668 350 1 1 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.482 1.759 17668 351 1 1 . 1 1 64 64 LEU H H 69 7.247 7.247 8.084 -0.837 17668 352 1 1 . 1 1 65 65 GLY N N 70 103.867 103.867 104.722 -0.855 17668 353 1 1 . 1 1 65 65 GLY C C 70 173.651 173.651 173.568 0.083 17668 354 1 1 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.551 -0.079 17668 355 1 1 . 1 1 65 65 GLY H H 70 7.668 7.668 7.515 0.153 17668 356 1 1 . 1 1 66 66 TYR N N 71 119.180 119.180 117.850 1.330 17668 357 1 1 . 1 1 66 66 TYR C C 71 174.513 174.513 174.660 -0.147 17668 358 1 1 . 1 1 66 66 TYR CA C 71 57.020 57.020 55.624 1.396 17668 359 1 1 . 1 1 66 66 TYR CB C 71 39.502 39.502 41.175 -1.673 17668 360 1 1 . 1 1 66 66 TYR H H 71 6.798 6.798 7.583 -0.785 17668 361 1 1 . 1 1 67 67 THR N N 72 109.883 109.883 112.456 -2.573 17668 362 1 1 . 1 1 67 67 THR C C 72 173.998 173.998 173.368 0.630 17668 363 1 1 . 1 1 67 67 THR CA C 72 60.249 60.249 60.640 -0.391 17668 364 1 1 . 1 1 67 67 THR CB C 72 71.254 71.254 71.445 -0.191 17668 365 1 1 . 1 1 67 67 THR H H 72 8.144 8.144 8.334 -0.190 17668 366 1 1 . 1 1 68 68 LEU N N 73 122.461 122.461 126.380 -3.919 17668 367 1 1 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.758 0.288 17668 368 1 1 . 1 1 68 68 LEU C C 73 174.168 174.168 175.795 -1.627 17668 369 1 1 . 1 1 68 68 LEU CA C 73 53.252 53.252 54.594 -1.342 17668 370 1 1 . 1 1 68 68 LEU CB C 73 43.743 43.743 43.765 -0.022 17668 371 1 1 . 1 1 68 68 LEU H H 73 8.397 8.397 8.684 -0.287 17668 372 1 1 . 1 1 69 69 ALA N N 74 125.195 125.195 131.200 -6.005 17668 373 1 1 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.731 -0.393 17668 374 1 1 . 1 1 69 69 ALA C C 74 176.931 176.931 175.365 1.566 17668 375 1 1 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.730 3.524 17668 376 1 1 . 1 1 69 69 ALA CB C 74 18.225 18.225 20.959 -2.734 17668 377 1 1 . 1 1 69 69 ALA H H 74 8.200 8.200 8.727 -0.527 17668 378 1 1 . 1 1 70 70 GLU N N 75 120.820 120.820 124.976 -4.156 17668 379 1 1 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.834 -0.360 17668 380 1 1 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.023 2.435 17668 381 1 1 . 1 1 70 70 GLU CB C 75 29.591 29.591 30.835 -1.244 17668 382 1 1 . 1 1 70 70 GLU H H 75 8.397 8.397 8.745 -0.348 17668 383 1 2 . 1 1 2 2 LEU N N 7 119.727 119.727 117.159 2.568 17668 384 1 2 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.346 -0.008 17668 385 1 2 . 1 1 2 2 LEU C C 7 176.410 176.410 175.915 0.495 17668 386 1 2 . 1 1 2 2 LEU CA C 7 54.010 54.010 55.372 -1.362 17668 387 1 2 . 1 1 2 2 LEU CB C 7 43.226 43.226 42.608 0.619 17668 388 1 2 . 1 1 2 2 LEU H H 7 7.919 7.919 8.309 -0.390 17668 389 1 2 . 1 1 3 3 LYS N N 8 123.008 123.008 121.225 1.783 17668 390 1 2 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.523 -0.158 17668 391 1 2 . 1 1 3 3 LYS C C 8 174.512 174.512 175.515 -1.003 17668 392 1 2 . 1 1 3 3 LYS CA C 8 54.741 54.741 55.134 -0.393 17668 393 1 2 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.537 0.186 17668 394 1 2 . 1 1 3 3 LYS H H 8 8.650 8.650 8.124 0.526 17668 395 1 2 . 1 1 4 4 THR N N 9 120.273 120.273 118.692 1.581 17668 396 1 2 . 1 1 4 4 THR HA H 9 5.372 5.372 4.309 1.063 17668 397 1 2 . 1 1 4 4 THR C C 9 174.170 174.170 174.189 -0.019 17668 398 1 2 . 1 1 4 4 THR CA C 9 61.756 61.756 62.331 -0.575 17668 399 1 2 . 1 1 4 4 THR CB C 9 70.757 70.757 69.382 1.375 17668 400 1 2 . 1 1 4 4 THR H H 9 8.481 8.481 8.322 0.159 17668 401 1 2 . 1 1 5 5 GLN N N 10 126.836 126.836 124.573 2.263 17668 402 1 2 . 1 1 5 5 GLN C C 10 173.651 173.651 173.431 0.220 17668 403 1 2 . 1 1 5 5 GLN CA C 10 54.236 54.236 54.784 -0.548 17668 404 1 2 . 1 1 5 5 GLN CB C 10 34.484 34.484 31.576 2.908 17668 405 1 2 . 1 1 5 5 GLN H H 10 9.295 9.295 8.548 0.747 17668 406 1 2 . 1 1 6 6 GLN N N 11 121.367 121.367 118.618 2.749 17668 407 1 2 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.366 0.280 17668 408 1 2 . 1 1 6 6 GLN C C 11 176.069 176.069 174.343 1.726 17668 409 1 2 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.741 -0.981 17668 410 1 2 . 1 1 6 6 GLN CB C 11 31.237 31.237 32.704 -1.467 17668 411 1 2 . 1 1 6 6 GLN H H 11 8.425 8.425 8.481 -0.056 17668 412 1 2 . 1 1 7 7 MET N N 12 120.273 120.273 115.466 4.807 17668 413 1 2 . 1 1 7 7 MET C C 12 173.824 173.824 173.533 0.291 17668 414 1 2 . 1 1 7 7 MET CA C 12 54.598 54.598 55.541 -0.943 17668 415 1 2 . 1 1 7 7 MET CB C 12 37.258 37.258 35.871 1.387 17668 416 1 2 . 1 1 7 7 MET H H 12 9.294 9.294 9.009 0.285 17668 417 1 2 . 1 1 8 8 GLN N N 13 122.461 122.461 117.993 4.468 17668 418 1 2 . 1 1 8 8 GLN C C 13 174.863 174.863 174.363 0.500 17668 419 1 2 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.819 -0.066 17668 420 1 2 . 1 1 8 8 GLN CB C 13 30.243 30.243 32.472 -2.229 17668 421 1 2 . 1 1 8 8 GLN H H 13 8.790 8.790 8.379 0.411 17668 422 1 2 . 1 1 9 9 VAL N N 14 126.289 126.289 119.427 6.862 17668 423 1 2 . 1 1 9 9 VAL C C 14 176.586 176.586 173.836 2.750 17668 424 1 2 . 1 1 9 9 VAL CA C 14 61.255 61.255 61.316 -0.061 17668 425 1 2 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.708 -2.241 17668 426 1 2 . 1 1 9 9 VAL H H 14 8.930 8.930 8.341 0.589 17668 427 1 2 . 1 1 10 10 GLY N N 15 117.539 117.539 113.541 3.998 17668 428 1 2 . 1 1 10 10 GLY C C 15 173.997 173.997 174.268 -0.271 17668 429 1 2 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.938 -0.693 17668 430 1 2 . 1 1 10 10 GLY H H 15 9.351 9.351 9.016 0.335 17668 431 1 2 . 1 1 11 11 GLY N N 16 107.149 107.149 111.796 -4.647 17668 432 1 2 . 1 1 11 11 GLY C C 16 176.067 176.067 175.240 0.827 17668 433 1 2 . 1 1 11 11 GLY CA C 16 45.256 45.256 46.406 -1.150 17668 434 1 2 . 1 1 11 11 GLY H H 16 8.284 8.284 8.650 -0.366 17668 435 1 2 . 1 1 12 12 MET N N 17 118.633 118.633 119.248 -0.615 17668 436 1 2 . 1 1 12 12 MET C C 17 177.102 177.102 175.361 1.741 17668 437 1 2 . 1 1 12 12 MET CA C 17 57.740 57.740 56.631 1.109 17668 438 1 2 . 1 1 12 12 MET CB C 17 34.243 34.243 32.451 1.792 17668 439 1 2 . 1 1 12 12 MET H H 17 8.509 8.509 7.999 0.510 17668 440 1 2 . 1 1 13 13 ARG N N 18 126.836 126.836 117.534 9.302 17668 441 1 2 . 1 1 13 13 ARG C C 18 175.032 175.032 175.715 -0.683 17668 442 1 2 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.621 0.618 17668 443 1 2 . 1 1 13 13 ARG CB C 18 32.744 32.744 29.835 2.909 17668 444 1 2 . 1 1 13 13 ARG H H 18 10.782 10.782 7.800 2.982 17668 445 1 2 . 1 1 14 14 CYS N N 19 114.805 114.805 119.861 -5.056 17668 446 1 2 . 1 1 14 14 CYS CA C 19 56.217 56.217 58.516 -2.299 17668 447 1 2 . 1 1 14 14 CYS CB C 19 30.413 30.413 28.701 1.712 17668 448 1 2 . 1 1 14 14 CYS H H 19 8.425 8.425 8.203 0.222 17668 449 1 2 . 1 1 15 15 ALA CA C 20 51.257 51.257 55.289 -4.032 17668 450 1 2 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.950 0.297 17668 451 1 2 . 1 1 16 16 ALA N N 21 118.906 118.906 120.555 -1.649 17668 452 1 2 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.190 -0.043 17668 453 1 2 . 1 1 16 16 ALA C C 21 180.553 180.553 179.467 1.086 17668 454 1 2 . 1 1 16 16 ALA CA C 21 54.756 54.756 54.575 0.180 17668 455 1 2 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.092 0.141 17668 456 1 2 . 1 1 17 17 CYS N N 22 121.914 121.914 117.685 4.229 17668 457 1 2 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.483 -0.662 17668 458 1 2 . 1 1 17 17 CYS C C 22 177.966 177.966 176.370 1.596 17668 459 1 2 . 1 1 17 17 CYS CA C 22 64.748 64.748 62.254 2.494 17668 460 1 2 . 1 1 17 17 CYS CB C 22 29.245 29.245 27.912 1.333 17668 461 1 2 . 1 1 17 17 CYS H H 22 7.640 7.640 7.585 0.055 17668 462 1 2 . 1 1 18 18 ALA N N 23 119.180 119.180 122.459 -3.279 17668 463 1 2 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.847 -0.244 17668 464 1 2 . 1 1 18 18 ALA C C 23 179.173 179.173 179.110 0.063 17668 465 1 2 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.962 0.296 17668 466 1 2 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.029 0.712 17668 467 1 2 . 1 1 18 18 ALA H H 23 6.629 6.629 8.135 -1.506 17668 468 1 2 . 1 1 19 19 SER N N 24 112.618 112.618 114.129 -1.511 17668 469 1 2 . 1 1 19 19 SER HA H 24 4.147 4.147 4.108 0.039 17668 470 1 2 . 1 1 19 19 SER C C 24 176.764 176.764 176.689 0.075 17668 471 1 2 . 1 1 19 19 SER CA C 24 61.259 61.259 62.340 -1.081 17668 472 1 2 . 1 1 19 19 SER CB C 24 62.754 62.754 62.764 -0.010 17668 473 1 2 . 1 1 19 19 SER H H 24 7.752 7.752 7.842 -0.090 17668 474 1 2 . 1 1 20 20 SER N N 25 116.992 116.992 118.774 -1.782 17668 475 1 2 . 1 1 20 20 SER HA H 25 3.521 3.521 4.203 -0.682 17668 476 1 2 . 1 1 20 20 SER C C 25 177.448 177.448 176.369 1.079 17668 477 1 2 . 1 1 20 20 SER CA C 25 61.870 61.870 61.401 0.469 17668 478 1 2 . 1 1 20 20 SER CB C 25 62.751 62.751 63.101 -0.350 17668 479 1 2 . 1 1 20 20 SER H H 25 7.989 7.989 7.546 0.443 17668 480 1 2 . 1 1 21 21 ILE N N 26 122.461 122.461 122.308 0.153 17668 481 1 2 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.729 -0.399 17668 482 1 2 . 1 1 21 21 ILE C C 26 176.930 176.930 177.818 -0.888 17668 483 1 2 . 1 1 21 21 ILE CA C 26 66.255 66.255 64.672 1.583 17668 484 1 2 . 1 1 21 21 ILE CB C 26 38.237 38.237 37.587 0.650 17668 485 1 2 . 1 1 21 21 ILE H H 26 7.583 7.583 7.407 0.176 17668 486 1 2 . 1 1 22 22 GLU N N 27 116.992 116.992 119.720 -2.728 17668 487 1 2 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.981 -0.515 17668 488 1 2 . 1 1 22 22 GLU C C 27 178.916 178.916 178.918 -0.002 17668 489 1 2 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.436 1.317 17668 490 1 2 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.532 0.175 17668 491 1 2 . 1 1 22 22 GLU H H 27 8.004 8.004 7.941 0.063 17668 492 1 2 . 1 1 23 23 ARG N N 28 114.805 114.805 118.933 -4.128 17668 493 1 2 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.030 -0.074 17668 494 1 2 . 1 1 23 23 ARG C C 28 179.517 179.517 178.437 1.080 17668 495 1 2 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.820 -0.068 17668 496 1 2 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.217 0.529 17668 497 1 2 . 1 1 23 23 ARG H H 28 8.256 8.256 8.139 0.117 17668 498 1 2 . 1 1 24 24 ALA N N 29 118.633 118.633 120.383 -1.750 17668 499 1 2 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.218 -0.261 17668 500 1 2 . 1 1 24 24 ALA C C 29 181.073 181.073 178.681 2.392 17668 501 1 2 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.922 0.827 17668 502 1 2 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.830 -0.101 17668 503 1 2 . 1 1 24 24 ALA H H 29 7.555 7.555 7.566 -0.011 17668 504 1 2 . 1 1 25 25 LEU N N 30 115.899 115.899 120.835 -4.936 17668 505 1 2 . 1 1 25 25 LEU HA H 30 3.984 3.984 3.999 -0.015 17668 506 1 2 . 1 1 25 25 LEU C C 30 178.658 178.658 178.832 -0.174 17668 507 1 2 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.989 -0.768 17668 508 1 2 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.371 -0.123 17668 509 1 2 . 1 1 25 25 LEU H H 30 7.976 7.976 7.613 0.363 17668 510 1 2 . 1 1 26 26 GLU N N 31 115.899 115.899 114.842 1.057 17668 511 1 2 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.100 -0.362 17668 512 1 2 . 1 1 26 26 GLU C C 31 177.793 177.793 177.609 0.184 17668 513 1 2 . 1 1 26 26 GLU CA C 31 58.727 58.727 58.471 0.256 17668 514 1 2 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.269 -0.028 17668 515 1 2 . 1 1 26 26 GLU H H 31 8.116 8.116 8.496 -0.380 17668 516 1 2 . 1 1 27 27 ARG N N 32 114.258 114.258 117.542 -3.284 17668 517 1 2 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.376 -0.229 17668 518 1 2 . 1 1 27 27 ARG C C 32 176.757 176.757 176.719 0.038 17668 519 1 2 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.923 0.327 17668 520 1 2 . 1 1 27 27 ARG CB C 32 30.744 30.744 30.651 0.093 17668 521 1 2 . 1 1 27 27 ARG H H 32 6.854 6.854 7.548 -0.694 17668 522 1 2 . 1 1 28 28 LEU N N 33 123.008 123.008 122.157 0.851 17668 523 1 2 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.273 -0.071 17668 524 1 2 . 1 1 28 28 LEU C C 33 176.412 176.412 177.048 -0.636 17668 525 1 2 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.807 -1.558 17668 526 1 2 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.456 -0.717 17668 527 1 2 . 1 1 28 28 LEU H H 33 7.501 7.501 7.442 0.059 17668 528 1 2 . 1 1 29 29 LYS N N 34 127.383 127.383 119.865 7.518 17668 529 1 2 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.498 -0.624 17668 530 1 2 . 1 1 29 29 LYS C C 34 176.412 176.412 176.733 -0.321 17668 531 1 2 . 1 1 29 29 LYS CA C 34 58.242 58.242 55.400 2.842 17668 532 1 2 . 1 1 29 29 LYS CB C 34 31.746 31.746 34.169 -2.422 17668 533 1 2 . 1 1 29 29 LYS H H 34 8.341 8.341 8.101 0.240 17668 534 1 2 . 1 1 30 30 GLY N N 35 111.524 111.524 107.831 3.693 17668 535 1 2 . 1 1 30 30 GLY C C 35 175.715 175.715 172.878 2.837 17668 536 1 2 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.505 -0.017 17668 537 1 2 . 1 1 30 30 GLY H H 35 8.509 8.509 8.537 -0.028 17668 538 1 2 . 1 1 31 31 VAL N N 36 122.461 122.461 118.350 4.111 17668 539 1 2 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.701 -0.827 17668 540 1 2 . 1 1 31 31 VAL C C 36 175.032 175.032 174.002 1.030 17668 541 1 2 . 1 1 31 31 VAL CA C 36 63.757 63.757 60.136 3.621 17668 542 1 2 . 1 1 31 31 VAL CB C 36 31.250 31.250 33.537 -2.287 17668 543 1 2 . 1 1 31 31 VAL H H 36 7.892 7.892 7.521 0.371 17668 544 1 2 . 1 1 32 32 ALA N N 37 131.758 131.758 130.385 1.373 17668 545 1 2 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.738 -0.373 17668 546 1 2 . 1 1 32 32 ALA C C 37 177.619 177.619 176.887 0.732 17668 547 1 2 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.221 1.025 17668 548 1 2 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.276 -0.554 17668 549 1 2 . 1 1 32 32 ALA H H 37 9.042 9.042 9.115 -0.073 17668 550 1 2 . 1 1 33 33 GLU N N 38 114.258 114.258 117.637 -3.379 17668 551 1 2 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.508 -0.007 17668 552 1 2 . 1 1 33 33 GLU C C 38 173.651 173.651 173.798 -0.147 17668 553 1 2 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.816 -1.239 17668 554 1 2 . 1 1 33 33 GLU CB C 38 33.666 33.666 33.837 -0.171 17668 555 1 2 . 1 1 33 33 GLU H H 38 7.555 7.555 7.807 -0.252 17668 556 1 2 . 1 1 34 34 ALA N N 39 125.742 125.742 126.293 -0.551 17668 557 1 2 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.071 0.030 17668 558 1 2 . 1 1 34 34 ALA C C 39 175.033 175.033 175.722 -0.689 17668 559 1 2 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.863 -0.583 17668 560 1 2 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.015 1.222 17668 561 1 2 . 1 1 34 34 ALA H H 39 9.014 9.014 8.536 0.478 17668 562 1 2 . 1 1 35 35 SER N N 40 113.711 113.711 114.644 -0.933 17668 563 1 2 . 1 1 35 35 SER HA H 40 4.855 4.855 4.748 0.107 17668 564 1 2 . 1 1 35 35 SER C C 40 173.824 173.824 172.343 1.481 17668 565 1 2 . 1 1 35 35 SER CA C 40 56.254 56.254 58.120 -1.866 17668 566 1 2 . 1 1 35 35 SER CB C 40 65.255 65.255 66.239 -0.984 17668 567 1 2 . 1 1 35 35 SER H H 40 8.481 8.481 8.627 -0.146 17668 568 1 2 . 1 1 36 36 VAL N N 41 129.570 129.570 120.294 9.276 17668 569 1 2 . 1 1 36 36 VAL C C 41 175.204 175.204 175.433 -0.229 17668 570 1 2 . 1 1 36 36 VAL CA C 41 60.265 60.265 60.648 -0.383 17668 571 1 2 . 1 1 36 36 VAL CB C 41 33.743 33.743 33.311 0.432 17668 572 1 2 . 1 1 36 36 VAL H H 41 10.164 10.164 8.335 1.829 17668 573 1 2 . 1 1 37 37 THR N N 42 123.008 123.008 124.366 -1.358 17668 574 1 2 . 1 1 37 37 THR HA H 42 4.392 4.392 4.568 -0.176 17668 575 1 2 . 1 1 37 37 THR C C 42 175.030 175.030 175.132 -0.102 17668 576 1 2 . 1 1 37 37 THR CA C 42 60.760 60.760 61.392 -0.632 17668 577 1 2 . 1 1 37 37 THR CB C 42 69.255 69.255 68.840 0.415 17668 578 1 2 . 1 1 37 37 THR H H 42 8.453 8.453 8.747 -0.294 17668 579 1 2 . 1 1 38 38 VAL N N 43 128.476 128.476 127.271 1.205 17668 580 1 2 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.652 -0.350 17668 581 1 2 . 1 1 38 38 VAL C C 43 176.067 176.067 177.825 -1.758 17668 582 1 2 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.079 -1.811 17668 583 1 2 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.524 0.703 17668 584 1 2 . 1 1 38 38 VAL H H 43 8.789 8.789 8.585 0.204 17668 585 1 2 . 1 1 39 39 ALA N N 44 119.180 119.180 120.826 -1.646 17668 586 1 2 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.114 -0.130 17668 587 1 2 . 1 1 39 39 ALA C C 44 179.167 179.167 178.326 0.841 17668 588 1 2 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.453 0.771 17668 589 1 2 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.663 0.332 17668 590 1 2 . 1 1 39 39 ALA H H 44 8.509 8.509 8.498 0.011 17668 591 1 2 . 1 1 40 40 THR N N 45 135.586 135.586 106.787 28.799 17668 592 1 2 . 1 1 40 40 THR HA H 45 4.338 4.338 4.401 -0.063 17668 593 1 2 . 1 1 40 40 THR C C 45 176.237 176.237 175.262 0.975 17668 594 1 2 . 1 1 40 40 THR CA C 45 60.254 60.254 61.269 -1.015 17668 595 1 2 . 1 1 40 40 THR CB C 45 70.261 70.261 71.399 -1.138 17668 596 1 2 . 1 1 40 40 THR H H 45 6.713 6.713 7.532 -0.819 17668 597 1 2 . 1 1 41 41 GLY N N 46 110.977 110.977 112.057 -1.080 17668 598 1 2 . 1 1 41 41 GLY C C 46 172.096 172.096 173.666 -1.570 17668 599 1 2 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.476 0.749 17668 600 1 2 . 1 1 41 41 GLY H H 46 7.835 7.835 7.963 -0.128 17668 601 1 2 . 1 1 42 42 ARG N N 47 118.086 118.086 118.105 -0.019 17668 602 1 2 . 1 1 42 42 ARG C C 47 175.032 175.032 174.707 0.325 17668 603 1 2 . 1 1 42 42 ARG CA C 47 56.250 56.250 55.152 1.098 17668 604 1 2 . 1 1 42 42 ARG CB C 47 31.739 31.739 33.206 -1.468 17668 605 1 2 . 1 1 42 42 ARG H H 47 7.303 7.303 7.995 -0.692 17668 606 1 2 . 1 1 43 43 LEU N N 48 129.023 129.023 119.011 10.012 17668 607 1 2 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.155 -0.136 17668 608 1 2 . 1 1 43 43 LEU C C 48 175.033 175.033 175.097 -0.064 17668 609 1 2 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.756 -0.506 17668 610 1 2 . 1 1 43 43 LEU CB C 48 45.081 45.081 47.207 -2.126 17668 611 1 2 . 1 1 43 43 LEU H H 48 8.986 8.986 8.718 0.268 17668 612 1 2 . 1 1 44 44 THR N N 49 123.008 123.008 117.827 5.181 17668 613 1 2 . 1 1 44 44 THR HA H 49 4.964 4.964 5.304 -0.340 17668 614 1 2 . 1 1 44 44 THR C C 49 173.475 173.475 172.848 0.627 17668 615 1 2 . 1 1 44 44 THR CA C 49 61.752 61.752 62.057 -0.305 17668 616 1 2 . 1 1 44 44 THR CB C 49 69.756 69.756 70.979 -1.223 17668 617 1 2 . 1 1 44 44 THR H H 49 9.154 9.154 8.568 0.586 17668 618 1 2 . 1 1 45 45 VAL N N 50 125.195 125.195 126.269 -1.074 17668 619 1 2 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.917 0.265 17668 620 1 2 . 1 1 45 45 VAL C C 50 172.614 172.614 173.367 -0.753 17668 621 1 2 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.973 -2.211 17668 622 1 2 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.627 -1.175 17668 623 1 2 . 1 1 45 45 VAL H H 50 9.071 9.071 9.373 -0.302 17668 624 1 2 . 1 1 46 46 THR N N 51 124.648 124.648 124.707 -0.059 17668 625 1 2 . 1 1 46 46 THR HA H 51 5.782 5.782 5.120 0.662 17668 626 1 2 . 1 1 46 46 THR C C 51 174.684 174.684 173.158 1.526 17668 627 1 2 . 1 1 46 46 THR CA C 51 61.248 61.248 61.148 0.100 17668 628 1 2 . 1 1 46 46 THR CB C 51 70.265 70.265 70.007 0.258 17668 629 1 2 . 1 1 46 46 THR H H 51 8.930 8.930 8.948 -0.018 17668 630 1 2 . 1 1 47 47 TYR N N 52 124.648 124.648 123.182 1.466 17668 631 1 2 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.255 0.036 17668 632 1 2 . 1 1 47 47 TYR C C 52 171.408 171.408 172.947 -1.539 17668 633 1 2 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.372 -0.127 17668 634 1 2 . 1 1 47 47 TYR CB C 52 41.754 41.754 40.944 0.810 17668 635 1 2 . 1 1 47 47 TYR H H 52 9.603 9.603 7.863 1.740 17668 636 1 2 . 1 1 48 48 ASP N N 53 119.180 119.180 121.246 -2.066 17668 637 1 2 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.211 -0.246 17668 638 1 2 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.531 -0.522 17668 639 1 2 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.781 -1.223 17668 640 1 2 . 1 1 48 48 ASP H H 53 8.481 8.481 8.466 0.015 17668 641 1 2 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.727 0.646 17668 642 1 2 . 1 1 49 49 PRO C C 54 178.311 178.311 176.671 1.640 17668 643 1 2 . 1 1 49 49 PRO CA C 54 63.263 63.263 64.419 -1.156 17668 644 1 2 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.789 0.454 17668 645 1 2 . 1 1 50 50 LYS N N 55 116.992 116.992 116.290 0.702 17668 646 1 2 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.379 -0.259 17668 647 1 2 . 1 1 50 50 LYS C C 55 177.802 177.802 177.788 0.014 17668 648 1 2 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.894 0.832 17668 649 1 2 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.893 -2.028 17668 650 1 2 . 1 1 50 50 LYS H H 55 8.284 8.284 7.883 0.401 17668 651 1 2 . 1 1 51 51 GLN N N 56 115.352 115.352 118.678 -3.326 17668 652 1 2 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.218 0.093 17668 653 1 2 . 1 1 51 51 GLN C C 56 175.031 175.031 176.839 -1.808 17668 654 1 2 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.187 -1.431 17668 655 1 2 . 1 1 51 51 GLN CB C 56 33.752 33.752 29.718 4.034 17668 656 1 2 . 1 1 51 51 GLN H H 56 7.864 7.864 8.592 -0.728 17668 657 1 2 . 1 1 52 52 VAL N N 57 120.273 120.273 110.849 9.424 17668 658 1 2 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.592 -0.199 17668 659 1 2 . 1 1 52 52 VAL C C 57 170.718 170.718 173.835 -3.117 17668 660 1 2 . 1 1 52 52 VAL CA C 57 59.772 59.772 60.030 -0.258 17668 661 1 2 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.689 -0.461 17668 662 1 2 . 1 1 52 52 VAL H H 57 8.172 8.172 8.039 0.133 17668 663 1 2 . 1 1 53 53 SER N N 58 116.992 116.992 114.676 2.316 17668 664 1 2 . 1 1 53 53 SER C C 58 175.377 175.377 174.531 0.846 17668 665 1 2 . 1 1 53 53 SER CA C 58 55.251 55.251 56.879 -1.628 17668 666 1 2 . 1 1 53 53 SER CB C 58 66.750 66.750 64.393 2.357 17668 667 1 2 . 1 1 53 53 SER H H 58 7.611 7.611 7.717 -0.106 17668 668 1 2 . 1 1 54 54 GLU N N 59 120.820 120.820 122.708 -1.888 17668 669 1 2 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.946 -0.588 17668 670 1 2 . 1 1 54 54 GLU C C 59 178.308 178.308 178.407 -0.099 17668 671 1 2 . 1 1 54 54 GLU CA C 59 59.743 59.743 59.311 0.432 17668 672 1 2 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.339 0.901 17668 673 1 2 . 1 1 54 54 GLU H H 59 8.930 8.930 8.815 0.115 17668 674 1 2 . 1 1 55 55 ILE N N 60 118.086 118.086 119.549 -1.463 17668 675 1 2 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.698 0.040 17668 676 1 2 . 1 1 55 55 ILE C C 60 177.448 177.448 178.164 -0.716 17668 677 1 2 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.081 -0.332 17668 678 1 2 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.474 1.041 17668 679 1 2 . 1 1 55 55 ILE H H 60 7.583 7.583 8.087 -0.504 17668 680 1 2 . 1 1 56 56 THR N N 61 119.727 119.727 115.140 4.587 17668 681 1 2 . 1 1 56 56 THR HA H 61 3.766 3.766 3.915 -0.149 17668 682 1 2 . 1 1 56 56 THR C C 61 177.104 177.104 175.442 1.662 17668 683 1 2 . 1 1 56 56 THR CA C 61 66.264 66.264 67.000 -0.736 17668 684 1 2 . 1 1 56 56 THR CB C 61 68.245 68.245 68.565 -0.320 17668 685 1 2 . 1 1 56 56 THR H H 61 7.471 7.471 7.943 -0.472 17668 686 1 2 . 1 1 57 57 ILE N N 62 121.367 121.367 118.874 2.493 17668 687 1 2 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.188 -1.157 17668 688 1 2 . 1 1 57 57 ILE C C 62 176.756 176.756 175.732 1.024 17668 689 1 2 . 1 1 57 57 ILE CA C 62 65.760 65.760 61.474 4.286 17668 690 1 2 . 1 1 57 57 ILE CB C 62 38.251 38.251 39.315 -1.064 17668 691 1 2 . 1 1 57 57 ILE H H 62 7.259 7.259 8.147 -0.888 17668 692 1 2 . 1 1 58 58 GLN N N 63 117.539 117.539 121.624 -4.085 17668 693 1 2 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.884 -0.282 17668 694 1 2 . 1 1 58 58 GLN C C 63 179.172 179.172 177.768 1.404 17668 695 1 2 . 1 1 58 58 GLN CA C 63 59.755 59.755 60.279 -0.524 17668 696 1 2 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.537 -0.803 17668 697 1 2 . 1 1 58 58 GLN H H 63 7.976 7.976 8.631 -0.655 17668 698 1 2 . 1 1 59 59 GLU N N 64 119.180 119.180 118.418 0.762 17668 699 1 2 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.072 -0.198 17668 700 1 2 . 1 1 59 59 GLU C C 64 179.866 179.866 179.461 0.405 17668 701 1 2 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.059 0.199 17668 702 1 2 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.133 0.568 17668 703 1 2 . 1 1 59 59 GLU H H 64 8.622 8.622 7.691 0.931 17668 704 1 2 . 1 1 60 60 ARG N N 65 119.727 119.727 118.782 0.945 17668 705 1 2 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.176 -0.083 17668 706 1 2 . 1 1 60 60 ARG C C 65 178.310 178.310 178.709 -0.399 17668 707 1 2 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.891 -1.635 17668 708 1 2 . 1 1 60 60 ARG CB C 65 28.748 28.748 30.188 -1.440 17668 709 1 2 . 1 1 60 60 ARG H H 65 7.891 7.891 8.258 -0.366 17668 710 1 2 . 1 1 61 61 ILE N N 66 118.086 118.086 119.500 -1.414 17668 711 1 2 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.963 -0.416 17668 712 1 2 . 1 1 61 61 ILE C C 66 178.311 178.311 177.163 1.148 17668 713 1 2 . 1 1 61 61 ILE CA C 66 64.745 64.745 64.608 0.137 17668 714 1 2 . 1 1 61 61 ILE CB C 66 37.681 37.681 38.480 -0.799 17668 715 1 2 . 1 1 61 61 ILE H H 66 7.443 7.443 7.707 -0.264 17668 716 1 2 . 1 1 62 62 ALA N N 67 121.914 121.914 122.392 -0.478 17668 717 1 2 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.458 0.071 17668 718 1 2 . 1 1 62 62 ALA C C 67 182.626 182.626 178.940 3.686 17668 719 1 2 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.612 -0.362 17668 720 1 2 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.802 -1.067 17668 721 1 2 . 1 1 62 62 ALA H H 67 8.116 8.116 8.478 -0.362 17668 722 1 2 . 1 1 63 63 ALA N N 68 121.367 121.367 119.365 2.002 17668 723 1 2 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.251 -0.239 17668 724 1 2 . 1 1 63 63 ALA C C 68 179.690 179.690 178.952 0.738 17668 725 1 2 . 1 1 63 63 ALA CA C 68 54.259 54.259 53.908 0.351 17668 726 1 2 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.870 -0.649 17668 727 1 2 . 1 1 63 63 ALA H H 68 7.948 7.948 7.730 0.218 17668 728 1 2 . 1 1 64 64 LEU N N 69 116.445 116.445 116.640 -0.195 17668 729 1 2 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.309 -0.162 17668 730 1 2 . 1 1 64 64 LEU C C 69 176.931 176.931 177.098 -0.167 17668 731 1 2 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.648 0.597 17668 732 1 2 . 1 1 64 64 LEU CB C 69 43.241 43.241 42.374 0.867 17668 733 1 2 . 1 1 64 64 LEU H H 69 7.247 7.247 7.635 -0.388 17668 734 1 2 . 1 1 65 65 GLY N N 70 103.867 103.867 104.572 -0.705 17668 735 1 2 . 1 1 65 65 GLY C C 70 173.651 173.651 173.260 0.391 17668 736 1 2 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.352 0.120 17668 737 1 2 . 1 1 65 65 GLY H H 70 7.668 7.668 7.496 0.172 17668 738 1 2 . 1 1 66 66 TYR N N 71 119.180 119.180 117.305 1.875 17668 739 1 2 . 1 1 66 66 TYR C C 71 174.513 174.513 174.050 0.463 17668 740 1 2 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.156 0.864 17668 741 1 2 . 1 1 66 66 TYR CB C 71 39.502 39.502 41.616 -2.114 17668 742 1 2 . 1 1 66 66 TYR H H 71 6.798 6.798 7.946 -1.148 17668 743 1 2 . 1 1 67 67 THR N N 72 109.883 109.883 114.108 -4.225 17668 744 1 2 . 1 1 67 67 THR C C 72 173.998 173.998 173.503 0.495 17668 745 1 2 . 1 1 67 67 THR CA C 72 60.249 60.249 61.712 -1.464 17668 746 1 2 . 1 1 67 67 THR CB C 72 71.254 71.254 70.677 0.577 17668 747 1 2 . 1 1 67 67 THR H H 72 8.144 8.144 8.492 -0.348 17668 748 1 2 . 1 1 68 68 LEU N N 73 122.461 122.461 121.266 1.195 17668 749 1 2 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.761 0.285 17668 750 1 2 . 1 1 68 68 LEU C C 73 174.168 174.168 175.834 -1.666 17668 751 1 2 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.419 -0.168 17668 752 1 2 . 1 1 68 68 LEU CB C 73 43.743 43.743 43.605 0.138 17668 753 1 2 . 1 1 68 68 LEU H H 73 8.397 8.397 8.483 -0.086 17668 754 1 2 . 1 1 69 69 ALA N N 74 125.195 125.195 123.732 1.463 17668 755 1 2 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.657 -0.319 17668 756 1 2 . 1 1 69 69 ALA C C 74 176.931 176.931 175.822 1.109 17668 757 1 2 . 1 1 69 69 ALA CA C 74 55.254 55.254 52.293 2.961 17668 758 1 2 . 1 1 69 69 ALA CB C 74 18.225 18.225 20.622 -2.397 17668 759 1 2 . 1 1 69 69 ALA H H 74 8.200 8.200 8.619 -0.419 17668 760 1 2 . 1 1 70 70 GLU N N 75 120.820 120.820 123.867 -3.047 17668 761 1 2 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.746 -0.272 17668 762 1 2 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.139 2.319 17668 763 1 2 . 1 1 70 70 GLU CB C 75 29.591 29.591 30.367 -0.776 17668 764 1 2 . 1 1 70 70 GLU H H 75 8.397 8.397 8.686 -0.289 17668 765 1 3 . 1 1 2 2 LEU N N 7 119.727 119.727 117.583 2.144 17668 766 1 3 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.671 -0.333 17668 767 1 3 . 1 1 2 2 LEU C C 7 176.410 176.410 176.309 0.101 17668 768 1 3 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.809 -0.799 17668 769 1 3 . 1 1 2 2 LEU CB C 7 43.226 43.226 42.282 0.944 17668 770 1 3 . 1 1 2 2 LEU H H 7 7.919 7.919 8.427 -0.508 17668 771 1 3 . 1 1 3 3 LYS N N 8 123.008 123.008 121.557 1.451 17668 772 1 3 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.617 -0.252 17668 773 1 3 . 1 1 3 3 LYS C C 8 174.512 174.512 174.747 -0.235 17668 774 1 3 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.755 -0.014 17668 775 1 3 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.749 -0.026 17668 776 1 3 . 1 1 3 3 LYS H H 8 8.650 8.650 8.391 0.259 17668 777 1 3 . 1 1 4 4 THR N N 9 120.273 120.273 117.963 2.310 17668 778 1 3 . 1 1 4 4 THR HA H 9 5.372 5.372 5.166 0.206 17668 779 1 3 . 1 1 4 4 THR C C 9 174.170 174.170 174.272 -0.102 17668 780 1 3 . 1 1 4 4 THR CA C 9 61.756 61.756 61.558 0.198 17668 781 1 3 . 1 1 4 4 THR CB C 9 70.757 70.757 69.944 0.813 17668 782 1 3 . 1 1 4 4 THR H H 9 8.481 8.481 8.328 0.153 17668 783 1 3 . 1 1 5 5 GLN N N 10 126.836 126.836 121.159 5.677 17668 784 1 3 . 1 1 5 5 GLN C C 10 173.651 173.651 173.286 0.365 17668 785 1 3 . 1 1 5 5 GLN CA C 10 54.236 54.236 54.914 -0.678 17668 786 1 3 . 1 1 5 5 GLN CB C 10 34.484 34.484 31.245 3.239 17668 787 1 3 . 1 1 5 5 GLN H H 10 9.295 9.295 8.878 0.417 17668 788 1 3 . 1 1 6 6 GLN N N 11 121.367 121.367 123.709 -2.342 17668 789 1 3 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.536 0.110 17668 790 1 3 . 1 1 6 6 GLN C C 11 176.069 176.069 175.008 1.061 17668 791 1 3 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.517 -0.757 17668 792 1 3 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.540 -0.303 17668 793 1 3 . 1 1 6 6 GLN H H 11 8.425 8.425 8.640 -0.215 17668 794 1 3 . 1 1 7 7 MET N N 12 120.273 120.273 122.209 -1.936 17668 795 1 3 . 1 1 7 7 MET C C 12 173.824 173.824 173.756 0.068 17668 796 1 3 . 1 1 7 7 MET CA C 12 54.598 54.598 53.497 1.101 17668 797 1 3 . 1 1 7 7 MET CB C 12 37.258 37.258 36.555 0.703 17668 798 1 3 . 1 1 7 7 MET H H 12 9.294 9.294 9.026 0.268 17668 799 1 3 . 1 1 8 8 GLN N N 13 122.461 122.461 121.381 1.080 17668 800 1 3 . 1 1 8 8 GLN C C 13 174.863 174.863 173.997 0.866 17668 801 1 3 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.141 -0.388 17668 802 1 3 . 1 1 8 8 GLN CB C 13 30.243 30.243 31.142 -0.899 17668 803 1 3 . 1 1 8 8 GLN H H 13 8.790 8.790 8.854 -0.064 17668 804 1 3 . 1 1 9 9 VAL N N 14 126.289 126.289 127.864 -1.575 17668 805 1 3 . 1 1 9 9 VAL C C 14 176.586 176.586 174.555 2.031 17668 806 1 3 . 1 1 9 9 VAL CA C 14 61.255 61.255 59.212 2.043 17668 807 1 3 . 1 1 9 9 VAL CB C 14 33.467 33.467 34.492 -1.025 17668 808 1 3 . 1 1 9 9 VAL H H 14 8.930 8.930 8.724 0.206 17668 809 1 3 . 1 1 10 10 GLY N N 15 117.539 117.539 114.825 2.714 17668 810 1 3 . 1 1 10 10 GLY C C 15 173.997 173.997 174.136 -0.139 17668 811 1 3 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.564 -0.319 17668 812 1 3 . 1 1 10 10 GLY H H 15 9.351 9.351 8.725 0.626 17668 813 1 3 . 1 1 11 11 GLY N N 16 107.149 107.149 113.289 -6.140 17668 814 1 3 . 1 1 11 11 GLY C C 16 176.067 176.067 174.750 1.317 17668 815 1 3 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.971 -0.715 17668 816 1 3 . 1 1 11 11 GLY H H 16 8.284 8.284 8.318 -0.034 17668 817 1 3 . 1 1 12 12 MET N N 17 118.633 118.633 117.213 1.420 17668 818 1 3 . 1 1 12 12 MET C C 17 177.102 177.102 176.228 0.874 17668 819 1 3 . 1 1 12 12 MET CA C 17 57.740 57.740 56.807 0.933 17668 820 1 3 . 1 1 12 12 MET CB C 17 34.243 34.243 31.796 2.447 17668 821 1 3 . 1 1 12 12 MET H H 17 8.509 8.509 7.627 0.882 17668 822 1 3 . 1 1 13 13 ARG N N 18 126.836 126.836 116.414 10.422 17668 823 1 3 . 1 1 13 13 ARG C C 18 175.032 175.032 175.984 -0.952 17668 824 1 3 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.020 1.220 17668 825 1 3 . 1 1 13 13 ARG CB C 18 32.744 32.744 28.180 4.564 17668 826 1 3 . 1 1 13 13 ARG H H 18 10.782 10.782 7.822 2.960 17668 827 1 3 . 1 1 14 14 CYS N N 19 114.805 114.805 119.672 -4.867 17668 828 1 3 . 1 1 14 14 CYS CA C 19 56.217 56.217 58.044 -1.827 17668 829 1 3 . 1 1 14 14 CYS CB C 19 30.413 30.413 30.043 0.370 17668 830 1 3 . 1 1 14 14 CYS H H 19 8.425 8.425 7.691 0.734 17668 831 1 3 . 1 1 15 15 ALA CA C 20 51.257 51.257 54.118 -2.861 17668 832 1 3 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.344 0.903 17668 833 1 3 . 1 1 16 16 ALA N N 21 118.906 118.906 119.161 -0.255 17668 834 1 3 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.328 -0.181 17668 835 1 3 . 1 1 16 16 ALA C C 21 180.553 180.553 177.705 2.848 17668 836 1 3 . 1 1 16 16 ALA CA C 21 54.756 54.756 52.113 2.643 17668 837 1 3 . 1 1 16 16 ALA CB C 21 18.233 18.233 19.596 -1.363 17668 838 1 3 . 1 1 17 17 CYS N N 22 121.914 121.914 117.452 4.462 17668 839 1 3 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.823 -1.002 17668 840 1 3 . 1 1 17 17 CYS C C 22 177.966 177.966 177.004 0.962 17668 841 1 3 . 1 1 17 17 CYS CA C 22 64.748 64.748 59.469 5.279 17668 842 1 3 . 1 1 17 17 CYS CB C 22 29.245 29.245 29.976 -0.731 17668 843 1 3 . 1 1 17 17 CYS H H 22 7.640 7.640 8.181 -0.541 17668 844 1 3 . 1 1 18 18 ALA N N 23 119.180 119.180 124.421 -5.241 17668 845 1 3 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.962 -0.359 17668 846 1 3 . 1 1 18 18 ALA C C 23 179.173 179.173 178.754 0.419 17668 847 1 3 . 1 1 18 18 ALA CA C 23 55.258 55.258 55.071 0.187 17668 848 1 3 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.261 0.480 17668 849 1 3 . 1 1 18 18 ALA H H 23 6.629 6.629 7.604 -0.975 17668 850 1 3 . 1 1 19 19 SER N N 24 112.618 112.618 112.897 -0.279 17668 851 1 3 . 1 1 19 19 SER HA H 24 4.147 4.147 4.133 0.014 17668 852 1 3 . 1 1 19 19 SER C C 24 176.764 176.764 176.685 0.079 17668 853 1 3 . 1 1 19 19 SER CA C 24 61.259 61.259 62.088 -0.829 17668 854 1 3 . 1 1 19 19 SER CB C 24 62.754 62.754 62.706 0.048 17668 855 1 3 . 1 1 19 19 SER H H 24 7.752 7.752 8.764 -1.012 17668 856 1 3 . 1 1 20 20 SER N N 25 116.992 116.992 117.729 -0.737 17668 857 1 3 . 1 1 20 20 SER HA H 25 3.521 3.521 4.287 -0.766 17668 858 1 3 . 1 1 20 20 SER C C 25 177.448 177.448 176.319 1.129 17668 859 1 3 . 1 1 20 20 SER CA C 25 61.870 61.870 61.369 0.501 17668 860 1 3 . 1 1 20 20 SER CB C 25 62.751 62.751 63.163 -0.412 17668 861 1 3 . 1 1 20 20 SER H H 25 7.989 7.989 8.002 -0.013 17668 862 1 3 . 1 1 21 21 ILE N N 26 122.461 122.461 122.717 -0.256 17668 863 1 3 . 1 1 21 21 ILE HA H 26 3.330 3.330 4.053 -0.723 17668 864 1 3 . 1 1 21 21 ILE C C 26 176.930 176.930 178.003 -1.073 17668 865 1 3 . 1 1 21 21 ILE CA C 26 66.255 66.255 61.946 4.309 17668 866 1 3 . 1 1 21 21 ILE CB C 26 38.237 38.237 36.865 1.372 17668 867 1 3 . 1 1 21 21 ILE H H 26 7.583 7.583 7.567 0.016 17668 868 1 3 . 1 1 22 22 GLU N N 27 116.992 116.992 121.191 -4.199 17668 869 1 3 . 1 1 22 22 GLU HA H 27 3.466 3.466 4.014 -0.548 17668 870 1 3 . 1 1 22 22 GLU C C 27 178.916 178.916 179.334 -0.418 17668 871 1 3 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.667 1.086 17668 872 1 3 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.723 -0.016 17668 873 1 3 . 1 1 22 22 GLU H H 27 8.004 8.004 8.668 -0.664 17668 874 1 3 . 1 1 23 23 ARG N N 28 114.805 114.805 120.048 -5.243 17668 875 1 3 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.102 -0.146 17668 876 1 3 . 1 1 23 23 ARG C C 28 179.517 179.517 178.315 1.202 17668 877 1 3 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.230 0.522 17668 878 1 3 . 1 1 23 23 ARG CB C 28 30.746 30.746 29.842 0.904 17668 879 1 3 . 1 1 23 23 ARG H H 28 8.256 8.256 8.048 0.208 17668 880 1 3 . 1 1 24 24 ALA N N 29 118.633 118.633 122.092 -3.459 17668 881 1 3 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.152 -0.195 17668 882 1 3 . 1 1 24 24 ALA C C 29 181.073 181.073 179.198 1.875 17668 883 1 3 . 1 1 24 24 ALA CA C 29 54.749 54.749 54.450 0.299 17668 884 1 3 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.046 0.683 17668 885 1 3 . 1 1 24 24 ALA H H 29 7.555 7.555 7.690 -0.135 17668 886 1 3 . 1 1 25 25 LEU N N 30 115.899 115.899 119.636 -3.737 17668 887 1 3 . 1 1 25 25 LEU HA H 30 3.984 3.984 3.985 -0.001 17668 888 1 3 . 1 1 25 25 LEU C C 30 178.658 178.658 178.804 -0.146 17668 889 1 3 . 1 1 25 25 LEU CA C 30 57.221 57.221 58.087 -0.866 17668 890 1 3 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.347 -0.099 17668 891 1 3 . 1 1 25 25 LEU H H 30 7.976 7.976 7.699 0.277 17668 892 1 3 . 1 1 26 26 GLU N N 31 115.899 115.899 114.508 1.391 17668 893 1 3 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.172 -0.434 17668 894 1 3 . 1 1 26 26 GLU C C 31 177.793 177.793 177.607 0.186 17668 895 1 3 . 1 1 26 26 GLU CA C 31 58.727 58.727 58.166 0.561 17668 896 1 3 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.213 0.028 17668 897 1 3 . 1 1 26 26 GLU H H 31 8.116 8.116 8.003 0.113 17668 898 1 3 . 1 1 27 27 ARG N N 32 114.258 114.258 117.787 -3.529 17668 899 1 3 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.347 -0.200 17668 900 1 3 . 1 1 27 27 ARG C C 32 176.757 176.757 176.680 0.077 17668 901 1 3 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.373 0.877 17668 902 1 3 . 1 1 27 27 ARG CB C 32 30.744 30.744 30.425 0.319 17668 903 1 3 . 1 1 27 27 ARG H H 32 6.854 6.854 7.755 -0.901 17668 904 1 3 . 1 1 28 28 LEU N N 33 123.008 123.008 120.523 2.485 17668 905 1 3 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.256 -0.054 17668 906 1 3 . 1 1 28 28 LEU C C 33 176.412 176.412 175.991 0.421 17668 907 1 3 . 1 1 28 28 LEU CA C 33 54.249 54.249 54.955 -0.705 17668 908 1 3 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.348 -0.609 17668 909 1 3 . 1 1 28 28 LEU H H 33 7.501 7.501 7.473 0.028 17668 910 1 3 . 1 1 29 29 LYS N N 34 127.383 127.383 119.787 7.596 17668 911 1 3 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.483 -0.609 17668 912 1 3 . 1 1 29 29 LYS C C 34 176.412 176.412 176.080 0.332 17668 913 1 3 . 1 1 29 29 LYS CA C 34 58.242 58.242 55.931 2.311 17668 914 1 3 . 1 1 29 29 LYS CB C 34 31.746 31.746 34.181 -2.435 17668 915 1 3 . 1 1 29 29 LYS H H 34 8.341 8.341 8.428 -0.087 17668 916 1 3 . 1 1 30 30 GLY N N 35 111.524 111.524 110.244 1.280 17668 917 1 3 . 1 1 30 30 GLY C C 35 175.715 175.715 173.338 2.377 17668 918 1 3 . 1 1 30 30 GLY CA C 35 45.488 45.488 44.772 0.716 17668 919 1 3 . 1 1 30 30 GLY H H 35 8.509 8.509 8.610 -0.101 17668 920 1 3 . 1 1 31 31 VAL N N 36 122.461 122.461 118.111 4.350 17668 921 1 3 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.243 -0.369 17668 922 1 3 . 1 1 31 31 VAL C C 36 175.032 175.032 174.565 0.467 17668 923 1 3 . 1 1 31 31 VAL CA C 36 63.757 63.757 60.457 3.300 17668 924 1 3 . 1 1 31 31 VAL CB C 36 31.250 31.250 33.953 -2.703 17668 925 1 3 . 1 1 31 31 VAL H H 36 7.892 7.892 7.444 0.448 17668 926 1 3 . 1 1 32 32 ALA N N 37 131.758 131.758 128.848 2.910 17668 927 1 3 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.599 -0.234 17668 928 1 3 . 1 1 32 32 ALA C C 37 177.619 177.619 177.193 0.426 17668 929 1 3 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.790 0.456 17668 930 1 3 . 1 1 32 32 ALA CB C 37 20.722 20.722 20.982 -0.260 17668 931 1 3 . 1 1 32 32 ALA H H 37 9.042 9.042 8.826 0.216 17668 932 1 3 . 1 1 33 33 GLU N N 38 114.258 114.258 115.528 -1.270 17668 933 1 3 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.576 -0.075 17668 934 1 3 . 1 1 33 33 GLU C C 38 173.651 173.651 174.240 -0.589 17668 935 1 3 . 1 1 33 33 GLU CA C 38 55.577 55.577 55.808 -0.231 17668 936 1 3 . 1 1 33 33 GLU CB C 38 33.666 33.666 33.931 -0.265 17668 937 1 3 . 1 1 33 33 GLU H H 38 7.555 7.555 8.043 -0.488 17668 938 1 3 . 1 1 34 34 ALA N N 39 125.742 125.742 125.030 0.712 17668 939 1 3 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.187 -0.086 17668 940 1 3 . 1 1 34 34 ALA C C 39 175.033 175.033 176.122 -1.089 17668 941 1 3 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.672 -0.392 17668 942 1 3 . 1 1 34 34 ALA CB C 39 23.237 23.237 21.954 1.282 17668 943 1 3 . 1 1 34 34 ALA H H 39 9.014 9.014 8.484 0.530 17668 944 1 3 . 1 1 35 35 SER N N 40 113.711 113.711 120.065 -6.354 17668 945 1 3 . 1 1 35 35 SER HA H 40 4.855 4.855 5.359 -0.504 17668 946 1 3 . 1 1 35 35 SER C C 40 173.824 173.824 173.988 -0.164 17668 947 1 3 . 1 1 35 35 SER CA C 40 56.254 56.254 57.204 -0.950 17668 948 1 3 . 1 1 35 35 SER CB C 40 65.255 65.255 66.086 -0.831 17668 949 1 3 . 1 1 35 35 SER H H 40 8.481 8.481 9.043 -0.562 17668 950 1 3 . 1 1 36 36 VAL N N 41 129.570 129.570 122.696 6.874 17668 951 1 3 . 1 1 36 36 VAL C C 41 175.204 175.204 175.961 -0.757 17668 952 1 3 . 1 1 36 36 VAL CA C 41 60.265 60.265 60.655 -0.390 17668 953 1 3 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.616 1.127 17668 954 1 3 . 1 1 36 36 VAL H H 41 10.164 10.164 9.150 1.014 17668 955 1 3 . 1 1 37 37 THR N N 42 123.008 123.008 123.354 -0.346 17668 956 1 3 . 1 1 37 37 THR HA H 42 4.392 4.392 4.619 -0.227 17668 957 1 3 . 1 1 37 37 THR C C 42 175.030 175.030 174.745 0.285 17668 958 1 3 . 1 1 37 37 THR CA C 42 60.760 60.760 61.382 -0.622 17668 959 1 3 . 1 1 37 37 THR CB C 42 69.255 69.255 69.694 -0.439 17668 960 1 3 . 1 1 37 37 THR H H 42 8.453 8.453 8.499 -0.046 17668 961 1 3 . 1 1 38 38 VAL N N 43 128.476 128.476 127.117 1.359 17668 962 1 3 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.757 -0.455 17668 963 1 3 . 1 1 38 38 VAL C C 43 176.067 176.067 176.457 -0.390 17668 964 1 3 . 1 1 38 38 VAL CA C 43 63.268 63.268 64.942 -1.674 17668 965 1 3 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.720 0.508 17668 966 1 3 . 1 1 38 38 VAL H H 43 8.789 8.789 8.732 0.057 17668 967 1 3 . 1 1 39 39 ALA N N 44 119.180 119.180 118.412 0.768 17668 968 1 3 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.215 -0.231 17668 969 1 3 . 1 1 39 39 ALA C C 44 179.167 179.167 177.933 1.234 17668 970 1 3 . 1 1 39 39 ALA CA C 44 55.225 55.225 53.526 1.699 17668 971 1 3 . 1 1 39 39 ALA CB C 44 18.995 18.995 19.102 -0.107 17668 972 1 3 . 1 1 39 39 ALA H H 44 8.509 8.509 7.980 0.529 17668 973 1 3 . 1 1 40 40 THR N N 45 135.586 135.586 106.544 29.042 17668 974 1 3 . 1 1 40 40 THR HA H 45 4.338 4.338 4.381 -0.043 17668 975 1 3 . 1 1 40 40 THR C C 45 176.237 176.237 175.436 0.801 17668 976 1 3 . 1 1 40 40 THR CA C 45 60.254 60.254 61.788 -1.534 17668 977 1 3 . 1 1 40 40 THR CB C 45 70.261 70.261 71.526 -1.265 17668 978 1 3 . 1 1 40 40 THR H H 45 6.713 6.713 7.384 -0.671 17668 979 1 3 . 1 1 41 41 GLY N N 46 110.977 110.977 112.682 -1.705 17668 980 1 3 . 1 1 41 41 GLY C C 46 172.096 172.096 173.335 -1.239 17668 981 1 3 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.605 0.619 17668 982 1 3 . 1 1 41 41 GLY H H 46 7.835 7.835 8.232 -0.397 17668 983 1 3 . 1 1 42 42 ARG N N 47 118.086 118.086 118.289 -0.203 17668 984 1 3 . 1 1 42 42 ARG C C 47 175.032 175.032 173.738 1.294 17668 985 1 3 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.343 1.907 17668 986 1 3 . 1 1 42 42 ARG CB C 47 31.739 31.739 35.206 -3.467 17668 987 1 3 . 1 1 42 42 ARG H H 47 7.303 7.303 7.859 -0.556 17668 988 1 3 . 1 1 43 43 LEU N N 48 129.023 129.023 120.911 8.112 17668 989 1 3 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.265 -0.246 17668 990 1 3 . 1 1 43 43 LEU C C 48 175.033 175.033 174.531 0.502 17668 991 1 3 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.769 -0.519 17668 992 1 3 . 1 1 43 43 LEU CB C 48 45.081 45.081 47.246 -2.165 17668 993 1 3 . 1 1 43 43 LEU H H 48 8.986 8.986 8.749 0.237 17668 994 1 3 . 1 1 44 44 THR N N 49 123.008 123.008 121.205 1.803 17668 995 1 3 . 1 1 44 44 THR HA H 49 4.964 4.964 5.235 -0.271 17668 996 1 3 . 1 1 44 44 THR C C 49 173.475 173.475 172.747 0.728 17668 997 1 3 . 1 1 44 44 THR CA C 49 61.752 61.752 62.198 -0.446 17668 998 1 3 . 1 1 44 44 THR CB C 49 69.756 69.756 70.064 -0.308 17668 999 1 3 . 1 1 44 44 THR H H 49 9.154 9.154 8.572 0.582 17668 1000 1 3 . 1 1 45 45 VAL N N 50 125.195 125.195 127.295 -2.100 17668 1001 1 3 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.920 0.262 17668 1002 1 3 . 1 1 45 45 VAL C C 50 172.614 172.614 173.557 -0.943 17668 1003 1 3 . 1 1 45 45 VAL CA C 50 58.762 58.762 59.646 -0.884 17668 1004 1 3 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.010 -0.558 17668 1005 1 3 . 1 1 45 45 VAL H H 50 9.071 9.071 9.311 -0.240 17668 1006 1 3 . 1 1 46 46 THR N N 51 124.648 124.648 124.049 0.599 17668 1007 1 3 . 1 1 46 46 THR HA H 51 5.782 5.782 5.336 0.446 17668 1008 1 3 . 1 1 46 46 THR C C 51 174.684 174.684 173.354 1.330 17668 1009 1 3 . 1 1 46 46 THR CA C 51 61.248 61.248 60.887 0.361 17668 1010 1 3 . 1 1 46 46 THR CB C 51 70.265 70.265 70.511 -0.246 17668 1011 1 3 . 1 1 46 46 THR H H 51 8.930 8.930 8.759 0.171 17668 1012 1 3 . 1 1 47 47 TYR N N 52 124.648 124.648 121.870 2.778 17668 1013 1 3 . 1 1 47 47 TYR HA H 52 5.291 5.291 4.842 0.449 17668 1014 1 3 . 1 1 47 47 TYR C C 52 171.408 171.408 172.678 -1.270 17668 1015 1 3 . 1 1 47 47 TYR CA C 52 55.245 55.245 56.843 -1.598 17668 1016 1 3 . 1 1 47 47 TYR CB C 52 41.754 41.754 40.097 1.657 17668 1017 1 3 . 1 1 47 47 TYR H H 52 9.603 9.603 8.648 0.955 17668 1018 1 3 . 1 1 48 48 ASP N N 53 119.180 119.180 121.470 -2.290 17668 1019 1 3 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.269 -0.304 17668 1020 1 3 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.280 -0.271 17668 1021 1 3 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.925 -1.367 17668 1022 1 3 . 1 1 48 48 ASP H H 53 8.481 8.481 9.091 -0.610 17668 1023 1 3 . 1 1 49 49 PRO HA H 54 5.373 5.373 5.082 0.291 17668 1024 1 3 . 1 1 49 49 PRO C C 54 178.311 178.311 176.219 2.092 17668 1025 1 3 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.948 -0.685 17668 1026 1 3 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.650 0.593 17668 1027 1 3 . 1 1 50 50 LYS N N 55 116.992 116.992 117.459 -0.467 17668 1028 1 3 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.491 -0.371 17668 1029 1 3 . 1 1 50 50 LYS C C 55 177.802 177.802 177.757 0.045 17668 1030 1 3 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.565 1.161 17668 1031 1 3 . 1 1 50 50 LYS CB C 55 31.865 31.865 34.116 -2.251 17668 1032 1 3 . 1 1 50 50 LYS H H 55 8.284 8.284 7.852 0.432 17668 1033 1 3 . 1 1 51 51 GLN N N 56 115.352 115.352 118.514 -3.162 17668 1034 1 3 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.262 0.049 17668 1035 1 3 . 1 1 51 51 GLN C C 56 175.031 175.031 176.789 -1.758 17668 1036 1 3 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.436 -1.680 17668 1037 1 3 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.209 3.543 17668 1038 1 3 . 1 1 51 51 GLN H H 56 7.864 7.864 8.584 -0.720 17668 1039 1 3 . 1 1 52 52 VAL N N 57 120.273 120.273 110.404 9.869 17668 1040 1 3 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.576 -0.183 17668 1041 1 3 . 1 1 52 52 VAL C C 57 170.718 170.718 173.379 -2.661 17668 1042 1 3 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.978 -0.206 17668 1043 1 3 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.751 -0.523 17668 1044 1 3 . 1 1 52 52 VAL H H 57 8.172 8.172 7.991 0.181 17668 1045 1 3 . 1 1 53 53 SER N N 58 116.992 116.992 113.643 3.349 17668 1046 1 3 . 1 1 53 53 SER C C 58 175.377 175.377 175.506 -0.129 17668 1047 1 3 . 1 1 53 53 SER CA C 58 55.251 55.251 57.120 -1.869 17668 1048 1 3 . 1 1 53 53 SER CB C 58 66.750 66.750 65.755 0.995 17668 1049 1 3 . 1 1 53 53 SER H H 58 7.611 7.611 8.078 -0.467 17668 1050 1 3 . 1 1 54 54 GLU N N 59 120.820 120.820 121.580 -0.760 17668 1051 1 3 . 1 1 54 54 GLU HA H 59 3.358 3.358 4.020 -0.662 17668 1052 1 3 . 1 1 54 54 GLU C C 59 178.308 178.308 178.392 -0.084 17668 1053 1 3 . 1 1 54 54 GLU CA C 59 59.743 59.743 59.784 -0.041 17668 1054 1 3 . 1 1 54 54 GLU CB C 59 29.240 29.240 29.043 0.197 17668 1055 1 3 . 1 1 54 54 GLU H H 59 8.930 8.930 8.815 0.115 17668 1056 1 3 . 1 1 55 55 ILE N N 60 118.086 118.086 119.458 -1.372 17668 1057 1 3 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.810 -0.072 17668 1058 1 3 . 1 1 55 55 ILE C C 60 177.448 177.448 178.162 -0.714 17668 1059 1 3 . 1 1 55 55 ILE CA C 60 63.749 63.749 63.724 0.025 17668 1060 1 3 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.666 0.849 17668 1061 1 3 . 1 1 55 55 ILE H H 60 7.583 7.583 7.499 0.084 17668 1062 1 3 . 1 1 56 56 THR N N 61 119.727 119.727 114.167 5.560 17668 1063 1 3 . 1 1 56 56 THR HA H 61 3.766 3.766 4.035 -0.269 17668 1064 1 3 . 1 1 56 56 THR C C 61 177.104 177.104 174.936 2.168 17668 1065 1 3 . 1 1 56 56 THR CA C 61 66.264 66.264 66.364 -0.100 17668 1066 1 3 . 1 1 56 56 THR CB C 61 68.245 68.245 68.374 -0.128 17668 1067 1 3 . 1 1 56 56 THR H H 61 7.471 7.471 7.781 -0.310 17668 1068 1 3 . 1 1 57 57 ILE N N 62 121.367 121.367 119.845 1.522 17668 1069 1 3 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.110 -1.079 17668 1070 1 3 . 1 1 57 57 ILE C C 62 176.756 176.756 175.854 0.902 17668 1071 1 3 . 1 1 57 57 ILE CA C 62 65.760 65.760 61.654 4.106 17668 1072 1 3 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.895 -0.644 17668 1073 1 3 . 1 1 57 57 ILE H H 62 7.259 7.259 7.882 -0.623 17668 1074 1 3 . 1 1 58 58 GLN N N 63 117.539 117.539 120.788 -3.249 17668 1075 1 3 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.870 -0.268 17668 1076 1 3 . 1 1 58 58 GLN C C 63 179.172 179.172 178.063 1.109 17668 1077 1 3 . 1 1 58 58 GLN CA C 63 59.755 59.755 60.320 -0.565 17668 1078 1 3 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.643 -0.909 17668 1079 1 3 . 1 1 58 58 GLN H H 63 7.976 7.976 8.707 -0.731 17668 1080 1 3 . 1 1 59 59 GLU N N 64 119.180 119.180 118.353 0.827 17668 1081 1 3 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.012 -0.138 17668 1082 1 3 . 1 1 59 59 GLU C C 64 179.866 179.866 179.280 0.586 17668 1083 1 3 . 1 1 59 59 GLU CA C 64 59.259 59.259 58.938 0.321 17668 1084 1 3 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.027 0.673 17668 1085 1 3 . 1 1 59 59 GLU H H 64 8.622 8.622 7.734 0.888 17668 1086 1 3 . 1 1 60 60 ARG N N 65 119.727 119.727 118.202 1.525 17668 1087 1 3 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.207 -0.114 17668 1088 1 3 . 1 1 60 60 ARG C C 65 178.310 178.310 177.495 0.815 17668 1089 1 3 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.355 -1.099 17668 1090 1 3 . 1 1 60 60 ARG CB C 65 28.748 28.748 30.355 -1.607 17668 1091 1 3 . 1 1 60 60 ARG H H 65 7.891 7.891 8.123 -0.232 17668 1092 1 3 . 1 1 61 61 ILE N N 66 118.086 118.086 118.197 -0.111 17668 1093 1 3 . 1 1 61 61 ILE HA H 66 3.547 3.547 4.156 -0.609 17668 1094 1 3 . 1 1 61 61 ILE C C 66 178.311 178.311 176.766 1.545 17668 1095 1 3 . 1 1 61 61 ILE CA C 66 64.745 64.745 63.193 1.552 17668 1096 1 3 . 1 1 61 61 ILE CB C 66 37.681 37.681 38.976 -1.295 17668 1097 1 3 . 1 1 61 61 ILE H H 66 7.443 7.443 7.802 -0.359 17668 1098 1 3 . 1 1 62 62 ALA N N 67 121.914 121.914 123.766 -1.852 17668 1099 1 3 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.537 -0.008 17668 1100 1 3 . 1 1 62 62 ALA C C 67 182.626 182.626 180.098 2.528 17668 1101 1 3 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.895 -0.645 17668 1102 1 3 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.489 -0.754 17668 1103 1 3 . 1 1 62 62 ALA H H 67 8.116 8.116 8.680 -0.564 17668 1104 1 3 . 1 1 63 63 ALA N N 68 121.367 121.367 120.656 0.711 17668 1105 1 3 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.215 -0.203 17668 1106 1 3 . 1 1 63 63 ALA C C 68 179.690 179.690 179.075 0.615 17668 1107 1 3 . 1 1 63 63 ALA CA C 68 54.259 54.259 53.927 0.332 17668 1108 1 3 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.427 -0.206 17668 1109 1 3 . 1 1 63 63 ALA H H 68 7.948 7.948 7.587 0.361 17668 1110 1 3 . 1 1 64 64 LEU N N 69 116.445 116.445 116.384 0.061 17668 1111 1 3 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.159 -0.012 17668 1112 1 3 . 1 1 64 64 LEU C C 69 176.931 176.931 177.479 -0.548 17668 1113 1 3 . 1 1 64 64 LEU CA C 69 55.245 55.245 55.333 -0.088 17668 1114 1 3 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.350 1.891 17668 1115 1 3 . 1 1 64 64 LEU H H 69 7.247 7.247 8.038 -0.791 17668 1116 1 3 . 1 1 65 65 GLY N N 70 103.867 103.867 104.037 -0.170 17668 1117 1 3 . 1 1 65 65 GLY C C 70 173.651 173.651 173.527 0.124 17668 1118 1 3 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.292 0.180 17668 1119 1 3 . 1 1 65 65 GLY H H 70 7.668 7.668 7.418 0.250 17668 1120 1 3 . 1 1 66 66 TYR N N 71 119.180 119.180 117.733 1.447 17668 1121 1 3 . 1 1 66 66 TYR C C 71 174.513 174.513 174.119 0.394 17668 1122 1 3 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.594 0.426 17668 1123 1 3 . 1 1 66 66 TYR CB C 71 39.502 39.502 40.928 -1.426 17668 1124 1 3 . 1 1 66 66 TYR H H 71 6.798 6.798 8.130 -1.332 17668 1125 1 3 . 1 1 67 67 THR N N 72 109.883 109.883 112.760 -2.877 17668 1126 1 3 . 1 1 67 67 THR C C 72 173.998 173.998 172.860 1.138 17668 1127 1 3 . 1 1 67 67 THR CA C 72 60.249 60.249 60.804 -0.555 17668 1128 1 3 . 1 1 67 67 THR CB C 72 71.254 71.254 70.269 0.985 17668 1129 1 3 . 1 1 67 67 THR H H 72 8.144 8.144 8.246 -0.102 17668 1130 1 3 . 1 1 68 68 LEU N N 73 122.461 122.461 119.044 3.417 17668 1131 1 3 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.609 -0.563 17668 1132 1 3 . 1 1 68 68 LEU C C 73 174.168 174.168 174.816 -0.648 17668 1133 1 3 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.225 0.027 17668 1134 1 3 . 1 1 68 68 LEU CB C 73 43.743 43.743 46.609 -2.866 17668 1135 1 3 . 1 1 68 68 LEU H H 73 8.397 8.397 8.463 -0.066 17668 1136 1 3 . 1 1 69 69 ALA N N 74 125.195 125.195 121.964 3.231 17668 1137 1 3 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.546 -0.208 17668 1138 1 3 . 1 1 69 69 ALA C C 74 176.931 176.931 174.793 2.138 17668 1139 1 3 . 1 1 69 69 ALA CA C 74 55.254 55.254 52.000 3.254 17668 1140 1 3 . 1 1 69 69 ALA CB C 74 18.225 18.225 21.757 -3.532 17668 1141 1 3 . 1 1 69 69 ALA H H 74 8.200 8.200 8.999 -0.799 17668 1142 1 3 . 1 1 70 70 GLU N N 75 120.820 120.820 123.923 -3.103 17668 1143 1 3 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.709 -0.235 17668 1144 1 3 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.344 2.114 17668 1145 1 3 . 1 1 70 70 GLU CB C 75 29.591 29.591 31.840 -2.249 17668 1146 1 3 . 1 1 70 70 GLU H H 75 8.397 8.397 8.575 -0.178 17668 1147 1 4 . 1 1 2 2 LEU N N 7 119.727 119.727 114.906 4.821 17668 1148 1 4 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.782 -0.444 17668 1149 1 4 . 1 1 2 2 LEU C C 7 176.410 176.410 175.122 1.288 17668 1150 1 4 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.651 -0.641 17668 1151 1 4 . 1 1 2 2 LEU CB C 7 43.226 43.226 43.049 0.177 17668 1152 1 4 . 1 1 2 2 LEU H H 7 7.919 7.919 8.186 -0.267 17668 1153 1 4 . 1 1 3 3 LYS N N 8 123.008 123.008 118.521 4.487 17668 1154 1 4 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.622 -0.257 17668 1155 1 4 . 1 1 3 3 LYS C C 8 174.512 174.512 174.318 0.194 17668 1156 1 4 . 1 1 3 3 LYS CA C 8 54.741 54.741 55.237 -0.496 17668 1157 1 4 . 1 1 3 3 LYS CB C 8 35.723 35.723 36.613 -0.890 17668 1158 1 4 . 1 1 3 3 LYS H H 8 8.650 8.650 8.175 0.475 17668 1159 1 4 . 1 1 4 4 THR N N 9 120.273 120.273 115.287 4.986 17668 1160 1 4 . 1 1 4 4 THR HA H 9 5.372 5.372 5.215 0.157 17668 1161 1 4 . 1 1 4 4 THR C C 9 174.170 174.170 173.006 1.164 17668 1162 1 4 . 1 1 4 4 THR CA C 9 61.756 61.756 60.520 1.236 17668 1163 1 4 . 1 1 4 4 THR CB C 9 70.757 70.757 70.727 0.030 17668 1164 1 4 . 1 1 4 4 THR H H 9 8.481 8.481 8.117 0.364 17668 1165 1 4 . 1 1 5 5 GLN N N 10 126.836 126.836 124.965 1.871 17668 1166 1 4 . 1 1 5 5 GLN C C 10 173.651 173.651 173.547 0.104 17668 1167 1 4 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.416 -1.180 17668 1168 1 4 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.559 1.925 17668 1169 1 4 . 1 1 5 5 GLN H H 10 9.295 9.295 8.744 0.551 17668 1170 1 4 . 1 1 6 6 GLN N N 11 121.367 121.367 122.835 -1.468 17668 1171 1 4 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.418 0.228 17668 1172 1 4 . 1 1 6 6 GLN C C 11 176.069 176.069 175.294 0.775 17668 1173 1 4 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.461 -0.701 17668 1174 1 4 . 1 1 6 6 GLN CB C 11 31.237 31.237 32.017 -0.780 17668 1175 1 4 . 1 1 6 6 GLN H H 11 8.425 8.425 8.626 -0.201 17668 1176 1 4 . 1 1 7 7 MET N N 12 120.273 120.273 115.943 4.330 17668 1177 1 4 . 1 1 7 7 MET C C 12 173.824 173.824 173.822 0.002 17668 1178 1 4 . 1 1 7 7 MET CA C 12 54.598 54.598 55.076 -0.478 17668 1179 1 4 . 1 1 7 7 MET CB C 12 37.258 37.258 36.091 1.167 17668 1180 1 4 . 1 1 7 7 MET H H 12 9.294 9.294 8.958 0.336 17668 1181 1 4 . 1 1 8 8 GLN N N 13 122.461 122.461 120.352 2.109 17668 1182 1 4 . 1 1 8 8 GLN C C 13 174.863 174.863 174.289 0.574 17668 1183 1 4 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.411 -0.658 17668 1184 1 4 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.795 -0.552 17668 1185 1 4 . 1 1 8 8 GLN H H 13 8.790 8.790 8.824 -0.034 17668 1186 1 4 . 1 1 9 9 VAL N N 14 126.289 126.289 117.250 9.039 17668 1187 1 4 . 1 1 9 9 VAL C C 14 176.586 176.586 174.651 1.935 17668 1188 1 4 . 1 1 9 9 VAL CA C 14 61.255 61.255 59.864 1.391 17668 1189 1 4 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.731 -2.264 17668 1190 1 4 . 1 1 9 9 VAL H H 14 8.930 8.930 8.525 0.405 17668 1191 1 4 . 1 1 10 10 GLY N N 15 117.539 117.539 111.893 5.646 17668 1192 1 4 . 1 1 10 10 GLY C C 15 173.997 173.997 173.800 0.197 17668 1193 1 4 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.570 -0.325 17668 1194 1 4 . 1 1 10 10 GLY H H 15 9.351 9.351 9.075 0.276 17668 1195 1 4 . 1 1 11 11 GLY N N 16 107.149 107.149 112.389 -5.240 17668 1196 1 4 . 1 1 11 11 GLY C C 16 176.067 176.067 173.074 2.993 17668 1197 1 4 . 1 1 11 11 GLY CA C 16 45.256 45.256 44.714 0.542 17668 1198 1 4 . 1 1 11 11 GLY H H 16 8.284 8.284 7.839 0.445 17668 1199 1 4 . 1 1 12 12 MET N N 17 118.633 118.633 120.498 -1.865 17668 1200 1 4 . 1 1 12 12 MET C C 17 177.102 177.102 174.750 2.352 17668 1201 1 4 . 1 1 12 12 MET CA C 17 57.740 57.740 55.773 1.967 17668 1202 1 4 . 1 1 12 12 MET CB C 17 34.243 34.243 32.797 1.446 17668 1203 1 4 . 1 1 12 12 MET H H 17 8.509 8.509 7.663 0.846 17668 1204 1 4 . 1 1 13 13 ARG N N 18 126.836 126.836 122.923 3.913 17668 1205 1 4 . 1 1 13 13 ARG C C 18 175.032 175.032 175.533 -0.501 17668 1206 1 4 . 1 1 13 13 ARG CA C 18 57.239 57.239 55.741 1.498 17668 1207 1 4 . 1 1 13 13 ARG CB C 18 32.744 32.744 32.245 0.499 17668 1208 1 4 . 1 1 13 13 ARG H H 18 10.782 10.782 8.695 2.087 17668 1209 1 4 . 1 1 14 14 CYS N N 19 114.805 114.805 116.510 -1.705 17668 1210 1 4 . 1 1 14 14 CYS CA C 19 56.217 56.217 55.894 0.323 17668 1211 1 4 . 1 1 14 14 CYS CB C 19 30.413 30.413 31.597 -1.184 17668 1212 1 4 . 1 1 14 14 CYS H H 19 8.425 8.425 7.805 0.620 17668 1213 1 4 . 1 1 15 15 ALA CA C 20 51.257 51.257 55.187 -3.930 17668 1214 1 4 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.236 1.011 17668 1215 1 4 . 1 1 16 16 ALA N N 21 118.906 118.906 121.831 -2.925 17668 1216 1 4 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.135 0.012 17668 1217 1 4 . 1 1 16 16 ALA C C 21 180.553 180.553 179.890 0.663 17668 1218 1 4 . 1 1 16 16 ALA CA C 21 54.756 54.756 54.959 -0.203 17668 1219 1 4 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.152 0.081 17668 1220 1 4 . 1 1 17 17 CYS N N 22 121.914 121.914 117.976 3.938 17668 1221 1 4 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.245 -0.424 17668 1222 1 4 . 1 1 17 17 CYS C C 22 177.966 177.966 176.864 1.102 17668 1223 1 4 . 1 1 17 17 CYS CA C 22 64.748 64.748 62.757 1.991 17668 1224 1 4 . 1 1 17 17 CYS CB C 22 29.245 29.245 27.065 2.180 17668 1225 1 4 . 1 1 17 17 CYS H H 22 7.640 7.640 7.632 0.008 17668 1226 1 4 . 1 1 18 18 ALA N N 23 119.180 119.180 122.648 -3.468 17668 1227 1 4 . 1 1 18 18 ALA HA H 23 3.603 3.603 4.105 -0.502 17668 1228 1 4 . 1 1 18 18 ALA C C 23 179.173 179.173 179.221 -0.048 17668 1229 1 4 . 1 1 18 18 ALA CA C 23 55.258 55.258 55.075 0.182 17668 1230 1 4 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.139 0.602 17668 1231 1 4 . 1 1 18 18 ALA H H 23 6.629 6.629 8.598 -1.969 17668 1232 1 4 . 1 1 19 19 SER N N 24 112.618 112.618 115.165 -2.547 17668 1233 1 4 . 1 1 19 19 SER HA H 24 4.147 4.147 4.220 -0.073 17668 1234 1 4 . 1 1 19 19 SER C C 24 176.764 176.764 176.733 0.031 17668 1235 1 4 . 1 1 19 19 SER CA C 24 61.259 61.259 62.259 -1.000 17668 1236 1 4 . 1 1 19 19 SER CB C 24 62.754 62.754 62.938 -0.184 17668 1237 1 4 . 1 1 19 19 SER H H 24 7.752 7.752 7.942 -0.190 17668 1238 1 4 . 1 1 20 20 SER N N 25 116.992 116.992 119.034 -2.042 17668 1239 1 4 . 1 1 20 20 SER HA H 25 3.521 3.521 4.181 -0.660 17668 1240 1 4 . 1 1 20 20 SER C C 25 177.448 177.448 176.120 1.328 17668 1241 1 4 . 1 1 20 20 SER CA C 25 61.870 61.870 61.569 0.301 17668 1242 1 4 . 1 1 20 20 SER CB C 25 62.751 62.751 62.982 -0.231 17668 1243 1 4 . 1 1 20 20 SER H H 25 7.989 7.989 8.196 -0.207 17668 1244 1 4 . 1 1 21 21 ILE N N 26 122.461 122.461 121.900 0.561 17668 1245 1 4 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.909 -0.579 17668 1246 1 4 . 1 1 21 21 ILE C C 26 176.930 176.930 177.730 -0.800 17668 1247 1 4 . 1 1 21 21 ILE CA C 26 66.255 66.255 62.731 3.524 17668 1248 1 4 . 1 1 21 21 ILE CB C 26 38.237 38.237 37.141 1.096 17668 1249 1 4 . 1 1 21 21 ILE H H 26 7.583 7.583 7.844 -0.261 17668 1250 1 4 . 1 1 22 22 GLU N N 27 116.992 116.992 119.720 -2.728 17668 1251 1 4 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.986 -0.520 17668 1252 1 4 . 1 1 22 22 GLU C C 27 178.916 178.916 179.291 -0.375 17668 1253 1 4 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.425 1.329 17668 1254 1 4 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.529 0.178 17668 1255 1 4 . 1 1 22 22 GLU H H 27 8.004 8.004 8.318 -0.314 17668 1256 1 4 . 1 1 23 23 ARG N N 28 114.805 114.805 118.857 -4.052 17668 1257 1 4 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.066 -0.110 17668 1258 1 4 . 1 1 23 23 ARG C C 28 179.517 179.517 176.957 2.560 17668 1259 1 4 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.757 -0.005 17668 1260 1 4 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.342 0.404 17668 1261 1 4 . 1 1 23 23 ARG H H 28 8.256 8.256 8.295 -0.039 17668 1262 1 4 . 1 1 24 24 ALA N N 29 118.633 118.633 119.491 -0.858 17668 1263 1 4 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.244 -0.287 17668 1264 1 4 . 1 1 24 24 ALA C C 29 181.073 181.073 179.574 1.499 17668 1265 1 4 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.989 0.760 17668 1266 1 4 . 1 1 24 24 ALA CB C 29 18.729 18.729 19.135 -0.406 17668 1267 1 4 . 1 1 24 24 ALA H H 29 7.555 7.555 7.531 0.024 17668 1268 1 4 . 1 1 25 25 LEU N N 30 115.899 115.899 120.578 -4.679 17668 1269 1 4 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.111 -0.127 17668 1270 1 4 . 1 1 25 25 LEU C C 30 178.658 178.658 177.853 0.805 17668 1271 1 4 . 1 1 25 25 LEU CA C 30 57.221 57.221 56.921 0.300 17668 1272 1 4 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.950 -0.702 17668 1273 1 4 . 1 1 25 25 LEU H H 30 7.976 7.976 8.395 -0.419 17668 1274 1 4 . 1 1 26 26 GLU N N 31 115.899 115.899 115.617 0.282 17668 1275 1 4 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.259 -0.521 17668 1276 1 4 . 1 1 26 26 GLU C C 31 177.793 177.793 177.829 -0.036 17668 1277 1 4 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.576 1.151 17668 1278 1 4 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.855 -0.615 17668 1279 1 4 . 1 1 26 26 GLU H H 31 8.116 8.116 7.894 0.222 17668 1280 1 4 . 1 1 27 27 ARG N N 32 114.258 114.258 118.873 -4.615 17668 1281 1 4 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.404 -0.257 17668 1282 1 4 . 1 1 27 27 ARG C C 32 176.757 176.757 177.116 -0.359 17668 1283 1 4 . 1 1 27 27 ARG CA C 32 56.250 56.250 56.374 -0.124 17668 1284 1 4 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.452 -0.708 17668 1285 1 4 . 1 1 27 27 ARG H H 32 6.854 6.854 7.822 -0.968 17668 1286 1 4 . 1 1 28 28 LEU N N 33 123.008 123.008 122.018 0.990 17668 1287 1 4 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.187 0.015 17668 1288 1 4 . 1 1 28 28 LEU C C 33 176.412 176.412 177.205 -0.793 17668 1289 1 4 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.158 -0.909 17668 1290 1 4 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.045 -0.306 17668 1291 1 4 . 1 1 28 28 LEU H H 33 7.501 7.501 7.511 -0.010 17668 1292 1 4 . 1 1 29 29 LYS N N 34 127.383 127.383 121.276 6.107 17668 1293 1 4 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.209 -0.335 17668 1294 1 4 . 1 1 29 29 LYS C C 34 176.412 176.412 177.617 -1.205 17668 1295 1 4 . 1 1 29 29 LYS CA C 34 58.242 58.242 57.235 1.007 17668 1296 1 4 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.601 -0.855 17668 1297 1 4 . 1 1 29 29 LYS H H 34 8.341 8.341 8.350 -0.009 17668 1298 1 4 . 1 1 30 30 GLY N N 35 111.524 111.524 109.087 2.437 17668 1299 1 4 . 1 1 30 30 GLY C C 35 175.715 175.715 173.613 2.102 17668 1300 1 4 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.686 -0.198 17668 1301 1 4 . 1 1 30 30 GLY H H 35 8.509 8.509 8.918 -0.409 17668 1302 1 4 . 1 1 31 31 VAL N N 36 122.461 122.461 114.659 7.802 17668 1303 1 4 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.684 -0.809 17668 1304 1 4 . 1 1 31 31 VAL C C 36 175.032 175.032 174.551 0.481 17668 1305 1 4 . 1 1 31 31 VAL CA C 36 63.757 63.757 60.356 3.401 17668 1306 1 4 . 1 1 31 31 VAL CB C 36 31.250 31.250 33.093 -1.843 17668 1307 1 4 . 1 1 31 31 VAL H H 36 7.892 7.892 7.427 0.465 17668 1308 1 4 . 1 1 32 32 ALA N N 37 131.758 131.758 130.625 1.133 17668 1309 1 4 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.506 -0.141 17668 1310 1 4 . 1 1 32 32 ALA C C 37 177.619 177.619 177.300 0.319 17668 1311 1 4 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.691 0.555 17668 1312 1 4 . 1 1 32 32 ALA CB C 37 20.722 20.722 20.739 -0.017 17668 1313 1 4 . 1 1 32 32 ALA H H 37 9.042 9.042 8.898 0.144 17668 1314 1 4 . 1 1 33 33 GLU N N 38 114.258 114.258 118.418 -4.160 17668 1315 1 4 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.593 -0.092 17668 1316 1 4 . 1 1 33 33 GLU C C 38 173.651 173.651 174.298 -0.647 17668 1317 1 4 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.180 -0.603 17668 1318 1 4 . 1 1 33 33 GLU CB C 38 33.666 33.666 33.054 0.612 17668 1319 1 4 . 1 1 33 33 GLU H H 38 7.555 7.555 7.861 -0.306 17668 1320 1 4 . 1 1 34 34 ALA N N 39 125.742 125.742 126.586 -0.844 17668 1321 1 4 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.134 -0.033 17668 1322 1 4 . 1 1 34 34 ALA C C 39 175.033 175.033 175.661 -0.628 17668 1323 1 4 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.285 -0.005 17668 1324 1 4 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.346 0.891 17668 1325 1 4 . 1 1 34 34 ALA H H 39 9.014 9.014 8.361 0.653 17668 1326 1 4 . 1 1 35 35 SER N N 40 113.711 113.711 114.790 -1.079 17668 1327 1 4 . 1 1 35 35 SER HA H 40 4.855 4.855 4.927 -0.072 17668 1328 1 4 . 1 1 35 35 SER C C 40 173.824 173.824 173.236 0.588 17668 1329 1 4 . 1 1 35 35 SER CA C 40 56.254 56.254 58.295 -2.042 17668 1330 1 4 . 1 1 35 35 SER CB C 40 65.255 65.255 65.500 -0.245 17668 1331 1 4 . 1 1 35 35 SER H H 40 8.481 8.481 9.047 -0.566 17668 1332 1 4 . 1 1 36 36 VAL N N 41 129.570 129.570 125.028 4.542 17668 1333 1 4 . 1 1 36 36 VAL C C 41 175.204 175.204 176.440 -1.236 17668 1334 1 4 . 1 1 36 36 VAL CA C 41 60.265 60.265 62.076 -1.811 17668 1335 1 4 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.582 1.161 17668 1336 1 4 . 1 1 36 36 VAL H H 41 10.164 10.164 9.702 0.462 17668 1337 1 4 . 1 1 37 37 THR N N 42 123.008 123.008 125.393 -2.385 17668 1338 1 4 . 1 1 37 37 THR HA H 42 4.392 4.392 4.423 -0.031 17668 1339 1 4 . 1 1 37 37 THR C C 42 175.030 175.030 174.733 0.297 17668 1340 1 4 . 1 1 37 37 THR CA C 42 60.760 60.760 62.207 -1.447 17668 1341 1 4 . 1 1 37 37 THR CB C 42 69.255 69.255 68.143 1.112 17668 1342 1 4 . 1 1 37 37 THR H H 42 8.453 8.453 9.039 -0.586 17668 1343 1 4 . 1 1 38 38 VAL N N 43 128.476 128.476 127.771 0.705 17668 1344 1 4 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.615 -0.313 17668 1345 1 4 . 1 1 38 38 VAL C C 43 176.067 176.067 177.225 -1.158 17668 1346 1 4 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.663 -2.395 17668 1347 1 4 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.239 0.988 17668 1348 1 4 . 1 1 38 38 VAL H H 43 8.789 8.789 8.560 0.229 17668 1349 1 4 . 1 1 39 39 ALA N N 44 119.180 119.180 120.309 -1.129 17668 1350 1 4 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.132 -0.148 17668 1351 1 4 . 1 1 39 39 ALA C C 44 179.167 179.167 178.391 0.776 17668 1352 1 4 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.616 0.609 17668 1353 1 4 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.777 0.218 17668 1354 1 4 . 1 1 39 39 ALA H H 44 8.509 8.509 8.214 0.295 17668 1355 1 4 . 1 1 40 40 THR N N 45 135.586 135.586 105.997 29.589 17668 1356 1 4 . 1 1 40 40 THR HA H 45 4.338 4.338 4.379 -0.041 17668 1357 1 4 . 1 1 40 40 THR C C 45 176.237 176.237 175.319 0.918 17668 1358 1 4 . 1 1 40 40 THR CA C 45 60.254 60.254 61.457 -1.203 17668 1359 1 4 . 1 1 40 40 THR CB C 45 70.261 70.261 71.349 -1.088 17668 1360 1 4 . 1 1 40 40 THR H H 45 6.713 6.713 7.699 -0.986 17668 1361 1 4 . 1 1 41 41 GLY N N 46 110.977 110.977 110.950 0.027 17668 1362 1 4 . 1 1 41 41 GLY C C 46 172.096 172.096 174.730 -2.634 17668 1363 1 4 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.414 0.811 17668 1364 1 4 . 1 1 41 41 GLY H H 46 7.835 7.835 8.253 -0.418 17668 1365 1 4 . 1 1 42 42 ARG N N 47 118.086 118.086 119.420 -1.334 17668 1366 1 4 . 1 1 42 42 ARG C C 47 175.032 175.032 174.963 0.069 17668 1367 1 4 . 1 1 42 42 ARG CA C 47 56.250 56.250 56.426 -0.176 17668 1368 1 4 . 1 1 42 42 ARG CB C 47 31.739 31.739 31.080 0.659 17668 1369 1 4 . 1 1 42 42 ARG H H 47 7.303 7.303 7.286 0.017 17668 1370 1 4 . 1 1 43 43 LEU N N 48 129.023 129.023 121.893 7.130 17668 1371 1 4 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.257 -0.238 17668 1372 1 4 . 1 1 43 43 LEU C C 48 175.033 175.033 176.338 -1.305 17668 1373 1 4 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.640 -0.390 17668 1374 1 4 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.305 -1.224 17668 1375 1 4 . 1 1 43 43 LEU H H 48 8.986 8.986 9.002 -0.016 17668 1376 1 4 . 1 1 44 44 THR N N 49 123.008 123.008 117.375 5.633 17668 1377 1 4 . 1 1 44 44 THR HA H 49 4.964 4.964 5.313 -0.349 17668 1378 1 4 . 1 1 44 44 THR C C 49 173.475 173.475 172.715 0.760 17668 1379 1 4 . 1 1 44 44 THR CA C 49 61.752 61.752 61.846 -0.094 17668 1380 1 4 . 1 1 44 44 THR CB C 49 69.756 69.756 71.038 -1.282 17668 1381 1 4 . 1 1 44 44 THR H H 49 9.154 9.154 8.287 0.867 17668 1382 1 4 . 1 1 45 45 VAL N N 50 125.195 125.195 127.245 -2.050 17668 1383 1 4 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.729 0.453 17668 1384 1 4 . 1 1 45 45 VAL C C 50 172.614 172.614 173.372 -0.758 17668 1385 1 4 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.697 -1.935 17668 1386 1 4 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.495 -1.043 17668 1387 1 4 . 1 1 45 45 VAL H H 50 9.071 9.071 9.301 -0.230 17668 1388 1 4 . 1 1 46 46 THR N N 51 124.648 124.648 125.863 -1.215 17668 1389 1 4 . 1 1 46 46 THR HA H 51 5.782 5.782 5.269 0.513 17668 1390 1 4 . 1 1 46 46 THR C C 51 174.684 174.684 173.421 1.263 17668 1391 1 4 . 1 1 46 46 THR CA C 51 61.248 61.248 61.331 -0.083 17668 1392 1 4 . 1 1 46 46 THR CB C 51 70.265 70.265 69.775 0.490 17668 1393 1 4 . 1 1 46 46 THR H H 51 8.930 8.930 8.928 0.002 17668 1394 1 4 . 1 1 47 47 TYR N N 52 124.648 124.648 124.043 0.605 17668 1395 1 4 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.282 0.009 17668 1396 1 4 . 1 1 47 47 TYR C C 52 171.408 171.408 172.767 -1.359 17668 1397 1 4 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.324 -0.079 17668 1398 1 4 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.574 0.180 17668 1399 1 4 . 1 1 47 47 TYR H H 52 9.603 9.603 8.681 0.922 17668 1400 1 4 . 1 1 48 48 ASP N N 53 119.180 119.180 121.971 -2.791 17668 1401 1 4 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.145 -0.180 17668 1402 1 4 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.586 -0.577 17668 1403 1 4 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.782 -1.224 17668 1404 1 4 . 1 1 48 48 ASP H H 53 8.481 8.481 8.837 -0.356 17668 1405 1 4 . 1 1 49 49 PRO HA H 54 5.373 5.373 5.081 0.292 17668 1406 1 4 . 1 1 49 49 PRO C C 54 178.311 178.311 176.533 1.778 17668 1407 1 4 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.968 -0.705 17668 1408 1 4 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.753 0.490 17668 1409 1 4 . 1 1 50 50 LYS N N 55 116.992 116.992 117.591 -0.599 17668 1410 1 4 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.419 -0.299 17668 1411 1 4 . 1 1 50 50 LYS C C 55 177.802 177.802 178.188 -0.386 17668 1412 1 4 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.908 0.818 17668 1413 1 4 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.464 -1.599 17668 1414 1 4 . 1 1 50 50 LYS H H 55 8.284 8.284 7.650 0.634 17668 1415 1 4 . 1 1 51 51 GLN N N 56 115.352 115.352 118.910 -3.558 17668 1416 1 4 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.135 0.176 17668 1417 1 4 . 1 1 51 51 GLN C C 56 175.031 175.031 176.779 -1.748 17668 1418 1 4 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.426 -1.670 17668 1419 1 4 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.309 3.443 17668 1420 1 4 . 1 1 51 51 GLN H H 56 7.864 7.864 8.684 -0.820 17668 1421 1 4 . 1 1 52 52 VAL N N 57 120.273 120.273 109.239 11.034 17668 1422 1 4 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.536 -0.143 17668 1423 1 4 . 1 1 52 52 VAL C C 57 170.718 170.718 173.575 -2.857 17668 1424 1 4 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.620 0.152 17668 1425 1 4 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.200 0.028 17668 1426 1 4 . 1 1 52 52 VAL H H 57 8.172 8.172 8.196 -0.024 17668 1427 1 4 . 1 1 53 53 SER N N 58 116.992 116.992 113.372 3.620 17668 1428 1 4 . 1 1 53 53 SER C C 58 175.377 175.377 174.584 0.793 17668 1429 1 4 . 1 1 53 53 SER CA C 58 55.251 55.251 56.329 -1.078 17668 1430 1 4 . 1 1 53 53 SER CB C 58 66.750 66.750 65.227 1.523 17668 1431 1 4 . 1 1 53 53 SER H H 58 7.611 7.611 8.188 -0.577 17668 1432 1 4 . 1 1 54 54 GLU N N 59 120.820 120.820 122.544 -1.724 17668 1433 1 4 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.643 -0.285 17668 1434 1 4 . 1 1 54 54 GLU C C 59 178.308 178.308 178.480 -0.172 17668 1435 1 4 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.772 0.971 17668 1436 1 4 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.327 0.913 17668 1437 1 4 . 1 1 54 54 GLU H H 59 8.930 8.930 8.570 0.360 17668 1438 1 4 . 1 1 55 55 ILE N N 60 118.086 118.086 119.941 -1.855 17668 1439 1 4 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.535 0.203 17668 1440 1 4 . 1 1 55 55 ILE C C 60 177.448 177.448 177.897 -0.449 17668 1441 1 4 . 1 1 55 55 ILE CA C 60 63.749 63.749 65.135 -1.386 17668 1442 1 4 . 1 1 55 55 ILE CB C 60 37.515 37.515 37.391 0.124 17668 1443 1 4 . 1 1 55 55 ILE H H 60 7.583 7.583 7.894 -0.311 17668 1444 1 4 . 1 1 56 56 THR N N 61 119.727 119.727 114.224 5.503 17668 1445 1 4 . 1 1 56 56 THR HA H 61 3.766 3.766 3.981 -0.215 17668 1446 1 4 . 1 1 56 56 THR C C 61 177.104 177.104 176.458 0.646 17668 1447 1 4 . 1 1 56 56 THR CA C 61 66.264 66.264 67.118 -0.854 17668 1448 1 4 . 1 1 56 56 THR CB C 61 68.245 68.245 68.502 -0.257 17668 1449 1 4 . 1 1 56 56 THR H H 61 7.471 7.471 7.920 -0.449 17668 1450 1 4 . 1 1 57 57 ILE N N 62 121.367 121.367 121.522 -0.155 17668 1451 1 4 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.833 -0.802 17668 1452 1 4 . 1 1 57 57 ILE C C 62 176.756 176.756 176.527 0.229 17668 1453 1 4 . 1 1 57 57 ILE CA C 62 65.760 65.760 63.083 2.677 17668 1454 1 4 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.639 0.612 17668 1455 1 4 . 1 1 57 57 ILE H H 62 7.259 7.259 7.271 -0.012 17668 1456 1 4 . 1 1 58 58 GLN N N 63 117.539 117.539 120.563 -3.024 17668 1457 1 4 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.885 -0.283 17668 1458 1 4 . 1 1 58 58 GLN C C 63 179.172 179.172 178.287 0.885 17668 1459 1 4 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.661 0.094 17668 1460 1 4 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.533 -0.799 17668 1461 1 4 . 1 1 58 58 GLN H H 63 7.976 7.976 8.510 -0.534 17668 1462 1 4 . 1 1 59 59 GLU N N 64 119.180 119.180 118.024 1.156 17668 1463 1 4 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.056 -0.182 17668 1464 1 4 . 1 1 59 59 GLU C C 64 179.866 179.866 179.041 0.825 17668 1465 1 4 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.281 -0.022 17668 1466 1 4 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.190 0.510 17668 1467 1 4 . 1 1 59 59 GLU H H 64 8.622 8.622 8.234 0.388 17668 1468 1 4 . 1 1 60 60 ARG N N 65 119.727 119.727 120.177 -0.450 17668 1469 1 4 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.227 -0.134 17668 1470 1 4 . 1 1 60 60 ARG C C 65 178.310 178.310 178.759 -0.449 17668 1471 1 4 . 1 1 60 60 ARG CA C 65 57.256 57.256 57.821 -0.565 17668 1472 1 4 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.483 -0.735 17668 1473 1 4 . 1 1 60 60 ARG H H 65 7.891 7.891 7.471 0.420 17668 1474 1 4 . 1 1 61 61 ILE N N 66 118.086 118.086 120.220 -2.134 17668 1475 1 4 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.749 -0.202 17668 1476 1 4 . 1 1 61 61 ILE C C 66 178.311 178.311 177.469 0.842 17668 1477 1 4 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.081 -0.336 17668 1478 1 4 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.951 -0.270 17668 1479 1 4 . 1 1 61 61 ILE H H 66 7.443 7.443 8.062 -0.619 17668 1480 1 4 . 1 1 62 62 ALA N N 67 121.914 121.914 121.872 0.042 17668 1481 1 4 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.523 0.006 17668 1482 1 4 . 1 1 62 62 ALA C C 67 182.626 182.626 180.196 2.430 17668 1483 1 4 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.470 -0.220 17668 1484 1 4 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.381 -0.646 17668 1485 1 4 . 1 1 62 62 ALA H H 67 8.116 8.116 8.468 -0.352 17668 1486 1 4 . 1 1 63 63 ALA N N 68 121.367 121.367 121.505 -0.138 17668 1487 1 4 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.128 -0.116 17668 1488 1 4 . 1 1 63 63 ALA C C 68 179.690 179.690 178.725 0.965 17668 1489 1 4 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.247 0.012 17668 1490 1 4 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.351 -0.130 17668 1491 1 4 . 1 1 63 63 ALA H H 68 7.948 7.948 7.964 -0.016 17668 1492 1 4 . 1 1 64 64 LEU N N 69 116.445 116.445 117.854 -1.409 17668 1493 1 4 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.160 -0.013 17668 1494 1 4 . 1 1 64 64 LEU C C 69 176.931 176.931 177.373 -0.442 17668 1495 1 4 . 1 1 64 64 LEU CA C 69 55.245 55.245 55.215 0.030 17668 1496 1 4 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.893 1.348 17668 1497 1 4 . 1 1 64 64 LEU H H 69 7.247 7.247 7.766 -0.519 17668 1498 1 4 . 1 1 65 65 GLY N N 70 103.867 103.867 105.533 -1.666 17668 1499 1 4 . 1 1 65 65 GLY C C 70 173.651 173.651 174.478 -0.827 17668 1500 1 4 . 1 1 65 65 GLY CA C 70 44.472 44.472 45.077 -0.605 17668 1501 1 4 . 1 1 65 65 GLY H H 70 7.668 7.668 7.682 -0.014 17668 1502 1 4 . 1 1 66 66 TYR N N 71 119.180 119.180 119.040 0.140 17668 1503 1 4 . 1 1 66 66 TYR C C 71 174.513 174.513 175.497 -0.984 17668 1504 1 4 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.753 0.267 17668 1505 1 4 . 1 1 66 66 TYR CB C 71 39.502 39.502 39.864 -0.362 17668 1506 1 4 . 1 1 66 66 TYR H H 71 6.798 6.798 7.424 -0.626 17668 1507 1 4 . 1 1 67 67 THR N N 72 109.883 109.883 112.266 -2.383 17668 1508 1 4 . 1 1 67 67 THR C C 72 173.998 173.998 172.823 1.175 17668 1509 1 4 . 1 1 67 67 THR CA C 72 60.249 60.249 61.893 -1.644 17668 1510 1 4 . 1 1 67 67 THR CB C 72 71.254 71.254 71.522 -0.268 17668 1511 1 4 . 1 1 67 67 THR H H 72 8.144 8.144 8.193 -0.049 17668 1512 1 4 . 1 1 68 68 LEU N N 73 122.461 122.461 124.759 -2.298 17668 1513 1 4 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.422 0.624 17668 1514 1 4 . 1 1 68 68 LEU C C 73 174.168 174.168 176.077 -1.909 17668 1515 1 4 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.963 -0.711 17668 1516 1 4 . 1 1 68 68 LEU CB C 73 43.743 43.743 44.166 -0.423 17668 1517 1 4 . 1 1 68 68 LEU H H 73 8.397 8.397 8.672 -0.275 17668 1518 1 4 . 1 1 69 69 ALA N N 74 125.195 125.195 126.888 -1.693 17668 1519 1 4 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.614 -0.276 17668 1520 1 4 . 1 1 69 69 ALA C C 74 176.931 176.931 176.467 0.464 17668 1521 1 4 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.268 3.986 17668 1522 1 4 . 1 1 69 69 ALA CB C 74 18.225 18.225 19.676 -1.451 17668 1523 1 4 . 1 1 69 69 ALA H H 74 8.200 8.200 8.329 -0.129 17668 1524 1 4 . 1 1 70 70 GLU N N 75 120.820 120.820 121.082 -0.262 17668 1525 1 4 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.525 -0.051 17668 1526 1 4 . 1 1 70 70 GLU CA C 75 54.458 54.458 53.436 1.022 17668 1527 1 4 . 1 1 70 70 GLU CB C 75 29.591 29.591 30.005 -0.414 17668 1528 1 4 . 1 1 70 70 GLU H H 75 8.397 8.397 8.215 0.182 17668 1529 1 5 . 1 1 2 2 LEU N N 7 119.727 119.727 117.929 1.798 17668 1530 1 5 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.648 -0.310 17668 1531 1 5 . 1 1 2 2 LEU C C 7 176.410 176.410 176.437 -0.027 17668 1532 1 5 . 1 1 2 2 LEU CA C 7 54.010 54.010 55.022 -1.012 17668 1533 1 5 . 1 1 2 2 LEU CB C 7 43.226 43.226 42.307 0.919 17668 1534 1 5 . 1 1 2 2 LEU H H 7 7.919 7.919 8.354 -0.435 17668 1535 1 5 . 1 1 3 3 LYS N N 8 123.008 123.008 119.692 3.316 17668 1536 1 5 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.637 -0.272 17668 1537 1 5 . 1 1 3 3 LYS C C 8 174.512 174.512 174.514 -0.002 17668 1538 1 5 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.642 0.099 17668 1539 1 5 . 1 1 3 3 LYS CB C 8 35.723 35.723 34.400 1.323 17668 1540 1 5 . 1 1 3 3 LYS H H 8 8.650 8.650 8.611 0.039 17668 1541 1 5 . 1 1 4 4 THR N N 9 120.273 120.273 116.629 3.644 17668 1542 1 5 . 1 1 4 4 THR HA H 9 5.372 5.372 5.014 0.358 17668 1543 1 5 . 1 1 4 4 THR C C 9 174.170 174.170 173.851 0.319 17668 1544 1 5 . 1 1 4 4 THR CA C 9 61.756 61.756 61.226 0.530 17668 1545 1 5 . 1 1 4 4 THR CB C 9 70.757 70.757 69.730 1.027 17668 1546 1 5 . 1 1 4 4 THR H H 9 8.481 8.481 8.338 0.143 17668 1547 1 5 . 1 1 5 5 GLN N N 10 126.836 126.836 121.925 4.911 17668 1548 1 5 . 1 1 5 5 GLN C C 10 173.651 173.651 173.323 0.328 17668 1549 1 5 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.298 -1.062 17668 1550 1 5 . 1 1 5 5 GLN CB C 10 34.484 34.484 31.470 3.014 17668 1551 1 5 . 1 1 5 5 GLN H H 10 9.295 9.295 8.363 0.932 17668 1552 1 5 . 1 1 6 6 GLN N N 11 121.367 121.367 119.816 1.551 17668 1553 1 5 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.337 0.309 17668 1554 1 5 . 1 1 6 6 GLN C C 11 176.069 176.069 175.471 0.598 17668 1555 1 5 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.876 -1.116 17668 1556 1 5 . 1 1 6 6 GLN CB C 11 31.237 31.237 32.510 -1.273 17668 1557 1 5 . 1 1 6 6 GLN H H 11 8.425 8.425 8.493 -0.068 17668 1558 1 5 . 1 1 7 7 MET N N 12 120.273 120.273 116.022 4.251 17668 1559 1 5 . 1 1 7 7 MET C C 12 173.824 173.824 173.986 -0.162 17668 1560 1 5 . 1 1 7 7 MET CA C 12 54.598 54.598 55.191 -0.593 17668 1561 1 5 . 1 1 7 7 MET CB C 12 37.258 37.258 36.550 0.709 17668 1562 1 5 . 1 1 7 7 MET H H 12 9.294 9.294 8.805 0.489 17668 1563 1 5 . 1 1 8 8 GLN N N 13 122.461 122.461 120.159 2.302 17668 1564 1 5 . 1 1 8 8 GLN C C 13 174.863 174.863 174.220 0.643 17668 1565 1 5 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.075 -0.322 17668 1566 1 5 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.084 0.159 17668 1567 1 5 . 1 1 8 8 GLN H H 13 8.790 8.790 8.323 0.467 17668 1568 1 5 . 1 1 9 9 VAL N N 14 126.289 126.289 121.979 4.310 17668 1569 1 5 . 1 1 9 9 VAL C C 14 176.586 176.586 175.409 1.177 17668 1570 1 5 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.811 0.444 17668 1571 1 5 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.657 -2.190 17668 1572 1 5 . 1 1 9 9 VAL H H 14 8.930 8.930 8.720 0.210 17668 1573 1 5 . 1 1 10 10 GLY N N 15 117.539 117.539 111.308 6.231 17668 1574 1 5 . 1 1 10 10 GLY C C 15 173.997 173.997 174.101 -0.104 17668 1575 1 5 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.299 -0.054 17668 1576 1 5 . 1 1 10 10 GLY H H 15 9.351 9.351 8.970 0.381 17668 1577 1 5 . 1 1 11 11 GLY N N 16 107.149 107.149 113.576 -6.427 17668 1578 1 5 . 1 1 11 11 GLY C C 16 176.067 176.067 173.903 2.164 17668 1579 1 5 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.493 -0.237 17668 1580 1 5 . 1 1 11 11 GLY H H 16 8.284 8.284 8.685 -0.401 17668 1581 1 5 . 1 1 12 12 MET N N 17 118.633 118.633 118.895 -0.262 17668 1582 1 5 . 1 1 12 12 MET C C 17 177.102 177.102 176.107 0.995 17668 1583 1 5 . 1 1 12 12 MET CA C 17 57.740 57.740 54.666 3.074 17668 1584 1 5 . 1 1 12 12 MET CB C 17 34.243 34.243 33.572 0.672 17668 1585 1 5 . 1 1 12 12 MET H H 17 8.509 8.509 7.983 0.526 17668 1586 1 5 . 1 1 13 13 ARG N N 18 126.836 126.836 120.323 6.513 17668 1587 1 5 . 1 1 13 13 ARG C C 18 175.032 175.032 175.178 -0.146 17668 1588 1 5 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.249 0.990 17668 1589 1 5 . 1 1 13 13 ARG CB C 18 32.744 32.744 27.204 5.540 17668 1590 1 5 . 1 1 13 13 ARG H H 18 10.782 10.782 7.946 2.836 17668 1591 1 5 . 1 1 14 14 CYS N N 19 114.805 114.805 119.712 -4.907 17668 1592 1 5 . 1 1 14 14 CYS CA C 19 56.217 56.217 57.759 -1.542 17668 1593 1 5 . 1 1 14 14 CYS CB C 19 30.413 30.413 30.324 0.089 17668 1594 1 5 . 1 1 14 14 CYS H H 19 8.425 8.425 8.194 0.231 17668 1595 1 5 . 1 1 15 15 ALA CA C 20 51.257 51.257 54.925 -3.668 17668 1596 1 5 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.908 0.339 17668 1597 1 5 . 1 1 16 16 ALA N N 21 118.906 118.906 120.861 -1.955 17668 1598 1 5 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.029 0.118 17668 1599 1 5 . 1 1 16 16 ALA C C 21 180.553 180.553 179.095 1.458 17668 1600 1 5 . 1 1 16 16 ALA CA C 21 54.756 54.756 54.850 -0.094 17668 1601 1 5 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.112 0.121 17668 1602 1 5 . 1 1 17 17 CYS N N 22 121.914 121.914 117.698 4.216 17668 1603 1 5 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.343 -0.522 17668 1604 1 5 . 1 1 17 17 CYS C C 22 177.966 177.966 176.973 0.993 17668 1605 1 5 . 1 1 17 17 CYS CA C 22 64.748 64.748 60.621 4.127 17668 1606 1 5 . 1 1 17 17 CYS CB C 22 29.245 29.245 26.415 2.830 17668 1607 1 5 . 1 1 17 17 CYS H H 22 7.640 7.640 7.551 0.089 17668 1608 1 5 . 1 1 18 18 ALA N N 23 119.180 119.180 123.414 -4.234 17668 1609 1 5 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.974 -0.371 17668 1610 1 5 . 1 1 18 18 ALA C C 23 179.173 179.173 178.902 0.271 17668 1611 1 5 . 1 1 18 18 ALA CA C 23 55.258 55.258 55.245 0.013 17668 1612 1 5 . 1 1 18 18 ALA CB C 23 18.741 18.741 17.954 0.787 17668 1613 1 5 . 1 1 18 18 ALA H H 23 6.629 6.629 8.542 -1.913 17668 1614 1 5 . 1 1 19 19 SER N N 24 112.618 112.618 112.720 -0.102 17668 1615 1 5 . 1 1 19 19 SER HA H 24 4.147 4.147 4.254 -0.107 17668 1616 1 5 . 1 1 19 19 SER C C 24 176.764 176.764 176.528 0.236 17668 1617 1 5 . 1 1 19 19 SER CA C 24 61.259 61.259 61.749 -0.490 17668 1618 1 5 . 1 1 19 19 SER CB C 24 62.754 62.754 62.991 -0.237 17668 1619 1 5 . 1 1 19 19 SER H H 24 7.752 7.752 7.984 -0.232 17668 1620 1 5 . 1 1 20 20 SER N N 25 116.992 116.992 119.275 -2.283 17668 1621 1 5 . 1 1 20 20 SER HA H 25 3.521 3.521 4.307 -0.786 17668 1622 1 5 . 1 1 20 20 SER C C 25 177.448 177.448 176.289 1.159 17668 1623 1 5 . 1 1 20 20 SER CA C 25 61.870 61.870 61.065 0.805 17668 1624 1 5 . 1 1 20 20 SER CB C 25 62.751 62.751 63.310 -0.559 17668 1625 1 5 . 1 1 20 20 SER H H 25 7.989 7.989 7.591 0.398 17668 1626 1 5 . 1 1 21 21 ILE N N 26 122.461 122.461 123.339 -0.878 17668 1627 1 5 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.791 -0.461 17668 1628 1 5 . 1 1 21 21 ILE C C 26 176.930 176.930 177.353 -0.423 17668 1629 1 5 . 1 1 21 21 ILE CA C 26 66.255 66.255 64.746 1.509 17668 1630 1 5 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.050 0.187 17668 1631 1 5 . 1 1 21 21 ILE H H 26 7.583 7.583 7.971 -0.388 17668 1632 1 5 . 1 1 22 22 GLU N N 27 116.992 116.992 118.600 -1.608 17668 1633 1 5 . 1 1 22 22 GLU HA H 27 3.466 3.466 4.014 -0.548 17668 1634 1 5 . 1 1 22 22 GLU C C 27 178.916 178.916 179.246 -0.330 17668 1635 1 5 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.182 1.571 17668 1636 1 5 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.356 0.351 17668 1637 1 5 . 1 1 22 22 GLU H H 27 8.004 8.004 8.515 -0.511 17668 1638 1 5 . 1 1 23 23 ARG N N 28 114.805 114.805 119.180 -4.375 17668 1639 1 5 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.180 -0.224 17668 1640 1 5 . 1 1 23 23 ARG C C 28 179.517 179.517 177.525 1.992 17668 1641 1 5 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.383 0.369 17668 1642 1 5 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.046 0.700 17668 1643 1 5 . 1 1 23 23 ARG H H 28 8.256 8.256 7.629 0.627 17668 1644 1 5 . 1 1 24 24 ALA N N 29 118.633 118.633 121.307 -2.674 17668 1645 1 5 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.274 -0.317 17668 1646 1 5 . 1 1 24 24 ALA C C 29 181.073 181.073 178.890 2.183 17668 1647 1 5 . 1 1 24 24 ALA CA C 29 54.749 54.749 54.066 0.683 17668 1648 1 5 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.918 -0.189 17668 1649 1 5 . 1 1 24 24 ALA H H 29 7.555 7.555 7.637 -0.082 17668 1650 1 5 . 1 1 25 25 LEU N N 30 115.899 115.899 119.809 -3.910 17668 1651 1 5 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.122 -0.138 17668 1652 1 5 . 1 1 25 25 LEU C C 30 178.658 178.658 177.942 0.716 17668 1653 1 5 . 1 1 25 25 LEU CA C 30 57.221 57.221 56.993 0.228 17668 1654 1 5 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.977 -0.729 17668 1655 1 5 . 1 1 25 25 LEU H H 30 7.976 7.976 8.520 -0.544 17668 1656 1 5 . 1 1 26 26 GLU N N 31 115.899 115.899 115.900 -0.001 17668 1657 1 5 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.223 -0.485 17668 1658 1 5 . 1 1 26 26 GLU C C 31 177.793 177.793 177.501 0.292 17668 1659 1 5 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.875 0.852 17668 1660 1 5 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.782 -0.541 17668 1661 1 5 . 1 1 26 26 GLU H H 31 8.116 8.116 7.882 0.234 17668 1662 1 5 . 1 1 27 27 ARG N N 32 114.258 114.258 118.825 -4.567 17668 1663 1 5 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.413 -0.266 17668 1664 1 5 . 1 1 27 27 ARG C C 32 176.757 176.757 176.962 -0.205 17668 1665 1 5 . 1 1 27 27 ARG CA C 32 56.250 56.250 56.491 -0.241 17668 1666 1 5 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.617 -0.873 17668 1667 1 5 . 1 1 27 27 ARG H H 32 6.854 6.854 7.696 -0.842 17668 1668 1 5 . 1 1 28 28 LEU N N 33 123.008 123.008 122.254 0.754 17668 1669 1 5 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.117 0.085 17668 1670 1 5 . 1 1 28 28 LEU C C 33 176.412 176.412 176.792 -0.380 17668 1671 1 5 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.251 -1.002 17668 1672 1 5 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.039 -0.300 17668 1673 1 5 . 1 1 28 28 LEU H H 33 7.501 7.501 7.635 -0.134 17668 1674 1 5 . 1 1 29 29 LYS N N 34 127.383 127.383 122.709 4.674 17668 1675 1 5 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.147 -0.273 17668 1676 1 5 . 1 1 29 29 LYS C C 34 176.412 176.412 177.904 -1.492 17668 1677 1 5 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.639 1.603 17668 1678 1 5 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.823 -1.077 17668 1679 1 5 . 1 1 29 29 LYS H H 34 8.341 8.341 8.184 0.157 17668 1680 1 5 . 1 1 30 30 GLY N N 35 111.524 111.524 108.290 3.234 17668 1681 1 5 . 1 1 30 30 GLY C C 35 175.715 175.715 174.616 1.099 17668 1682 1 5 . 1 1 30 30 GLY CA C 35 45.488 45.488 46.148 -0.660 17668 1683 1 5 . 1 1 30 30 GLY H H 35 8.509 8.509 8.687 -0.178 17668 1684 1 5 . 1 1 31 31 VAL N N 36 122.461 122.461 121.963 0.498 17668 1685 1 5 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.003 -0.129 17668 1686 1 5 . 1 1 31 31 VAL C C 36 175.032 175.032 174.918 0.114 17668 1687 1 5 . 1 1 31 31 VAL CA C 36 63.757 63.757 63.683 0.074 17668 1688 1 5 . 1 1 31 31 VAL CB C 36 31.250 31.250 32.058 -0.808 17668 1689 1 5 . 1 1 31 31 VAL H H 36 7.892 7.892 7.846 0.046 17668 1690 1 5 . 1 1 32 32 ALA N N 37 131.758 131.758 129.830 1.928 17668 1691 1 5 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.673 -0.308 17668 1692 1 5 . 1 1 32 32 ALA C C 37 177.619 177.619 176.578 1.041 17668 1693 1 5 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.193 1.053 17668 1694 1 5 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.502 -0.780 17668 1695 1 5 . 1 1 32 32 ALA H H 37 9.042 9.042 8.892 0.150 17668 1696 1 5 . 1 1 33 33 GLU N N 38 114.258 114.258 117.721 -3.463 17668 1697 1 5 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.569 -0.068 17668 1698 1 5 . 1 1 33 33 GLU C C 38 173.651 173.651 173.921 -0.270 17668 1699 1 5 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.693 -1.115 17668 1700 1 5 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.668 0.998 17668 1701 1 5 . 1 1 33 33 GLU H H 38 7.555 7.555 7.831 -0.276 17668 1702 1 5 . 1 1 34 34 ALA N N 39 125.742 125.742 125.833 -0.091 17668 1703 1 5 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.244 -0.143 17668 1704 1 5 . 1 1 34 34 ALA C C 39 175.033 175.033 175.821 -0.788 17668 1705 1 5 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.380 -0.100 17668 1706 1 5 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.442 0.795 17668 1707 1 5 . 1 1 34 34 ALA H H 39 9.014 9.014 8.301 0.713 17668 1708 1 5 . 1 1 35 35 SER N N 40 113.711 113.711 114.881 -1.170 17668 1709 1 5 . 1 1 35 35 SER HA H 40 4.855 4.855 4.941 -0.086 17668 1710 1 5 . 1 1 35 35 SER C C 40 173.824 173.824 173.466 0.358 17668 1711 1 5 . 1 1 35 35 SER CA C 40 56.254 56.254 57.911 -1.657 17668 1712 1 5 . 1 1 35 35 SER CB C 40 65.255 65.255 65.740 -0.485 17668 1713 1 5 . 1 1 35 35 SER H H 40 8.481 8.481 8.863 -0.382 17668 1714 1 5 . 1 1 36 36 VAL N N 41 129.570 129.570 126.045 3.525 17668 1715 1 5 . 1 1 36 36 VAL C C 41 175.204 175.204 176.490 -1.286 17668 1716 1 5 . 1 1 36 36 VAL CA C 41 60.265 60.265 62.029 -1.764 17668 1717 1 5 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.494 1.249 17668 1718 1 5 . 1 1 36 36 VAL H H 41 10.164 10.164 9.525 0.639 17668 1719 1 5 . 1 1 37 37 THR N N 42 123.008 123.008 125.539 -2.531 17668 1720 1 5 . 1 1 37 37 THR HA H 42 4.392 4.392 4.451 -0.059 17668 1721 1 5 . 1 1 37 37 THR C C 42 175.030 175.030 174.884 0.146 17668 1722 1 5 . 1 1 37 37 THR CA C 42 60.760 60.760 61.967 -1.207 17668 1723 1 5 . 1 1 37 37 THR CB C 42 69.255 69.255 68.854 0.401 17668 1724 1 5 . 1 1 37 37 THR H H 42 8.453 8.453 8.959 -0.506 17668 1725 1 5 . 1 1 38 38 VAL N N 43 128.476 128.476 127.969 0.507 17668 1726 1 5 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.614 -0.312 17668 1727 1 5 . 1 1 38 38 VAL C C 43 176.067 176.067 177.613 -1.546 17668 1728 1 5 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.928 -2.660 17668 1729 1 5 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.517 0.710 17668 1730 1 5 . 1 1 38 38 VAL H H 43 8.789 8.789 8.791 -0.002 17668 1731 1 5 . 1 1 39 39 ALA N N 44 119.180 119.180 120.808 -1.628 17668 1732 1 5 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.095 -0.111 17668 1733 1 5 . 1 1 39 39 ALA C C 44 179.167 179.167 178.116 1.051 17668 1734 1 5 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.889 0.336 17668 1735 1 5 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.741 0.254 17668 1736 1 5 . 1 1 39 39 ALA H H 44 8.509 8.509 8.130 0.379 17668 1737 1 5 . 1 1 40 40 THR N N 45 135.586 135.586 105.193 30.393 17668 1738 1 5 . 1 1 40 40 THR HA H 45 4.338 4.338 4.335 0.003 17668 1739 1 5 . 1 1 40 40 THR C C 45 176.237 176.237 175.470 0.767 17668 1740 1 5 . 1 1 40 40 THR CA C 45 60.254 60.254 61.492 -1.238 17668 1741 1 5 . 1 1 40 40 THR CB C 45 70.261 70.261 70.529 -0.268 17668 1742 1 5 . 1 1 40 40 THR H H 45 6.713 6.713 7.502 -0.789 17668 1743 1 5 . 1 1 41 41 GLY N N 46 110.977 110.977 111.824 -0.847 17668 1744 1 5 . 1 1 41 41 GLY C C 46 172.096 172.096 174.704 -2.608 17668 1745 1 5 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.715 0.510 17668 1746 1 5 . 1 1 41 41 GLY H H 46 7.835 7.835 8.133 -0.298 17668 1747 1 5 . 1 1 42 42 ARG N N 47 118.086 118.086 117.850 0.236 17668 1748 1 5 . 1 1 42 42 ARG C C 47 175.032 175.032 174.564 0.468 17668 1749 1 5 . 1 1 42 42 ARG CA C 47 56.250 56.250 55.965 0.285 17668 1750 1 5 . 1 1 42 42 ARG CB C 47 31.739 31.739 32.068 -0.329 17668 1751 1 5 . 1 1 42 42 ARG H H 47 7.303 7.303 7.359 -0.056 17668 1752 1 5 . 1 1 43 43 LEU N N 48 129.023 129.023 120.790 8.233 17668 1753 1 5 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.318 -0.299 17668 1754 1 5 . 1 1 43 43 LEU C C 48 175.033 175.033 175.914 -0.881 17668 1755 1 5 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.330 -0.080 17668 1756 1 5 . 1 1 43 43 LEU CB C 48 45.081 45.081 47.031 -1.950 17668 1757 1 5 . 1 1 43 43 LEU H H 48 8.986 8.986 8.851 0.135 17668 1758 1 5 . 1 1 44 44 THR N N 49 123.008 123.008 117.979 5.029 17668 1759 1 5 . 1 1 44 44 THR HA H 49 4.964 4.964 5.306 -0.342 17668 1760 1 5 . 1 1 44 44 THR C C 49 173.475 173.475 172.595 0.880 17668 1761 1 5 . 1 1 44 44 THR CA C 49 61.752 61.752 61.728 0.024 17668 1762 1 5 . 1 1 44 44 THR CB C 49 69.756 69.756 71.367 -1.611 17668 1763 1 5 . 1 1 44 44 THR H H 49 9.154 9.154 8.185 0.969 17668 1764 1 5 . 1 1 45 45 VAL N N 50 125.195 125.195 125.586 -0.391 17668 1765 1 5 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.948 0.234 17668 1766 1 5 . 1 1 45 45 VAL C C 50 172.614 172.614 173.292 -0.678 17668 1767 1 5 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.387 -1.625 17668 1768 1 5 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.910 -0.458 17668 1769 1 5 . 1 1 45 45 VAL H H 50 9.071 9.071 9.217 -0.146 17668 1770 1 5 . 1 1 46 46 THR N N 51 124.648 124.648 124.636 0.012 17668 1771 1 5 . 1 1 46 46 THR HA H 51 5.782 5.782 5.154 0.628 17668 1772 1 5 . 1 1 46 46 THR C C 51 174.684 174.684 173.329 1.355 17668 1773 1 5 . 1 1 46 46 THR CA C 51 61.248 61.248 60.889 0.359 17668 1774 1 5 . 1 1 46 46 THR CB C 51 70.265 70.265 69.945 0.319 17668 1775 1 5 . 1 1 46 46 THR H H 51 8.930 8.930 9.053 -0.123 17668 1776 1 5 . 1 1 47 47 TYR N N 52 124.648 124.648 123.587 1.061 17668 1777 1 5 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.327 -0.036 17668 1778 1 5 . 1 1 47 47 TYR C C 52 171.408 171.408 172.895 -1.487 17668 1779 1 5 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.541 -0.296 17668 1780 1 5 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.119 0.635 17668 1781 1 5 . 1 1 47 47 TYR H H 52 9.603 9.603 8.538 1.065 17668 1782 1 5 . 1 1 48 48 ASP N N 53 119.180 119.180 120.897 -1.717 17668 1783 1 5 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.107 -0.142 17668 1784 1 5 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.415 -0.406 17668 1785 1 5 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.074 -1.516 17668 1786 1 5 . 1 1 48 48 ASP H H 53 8.481 8.481 8.279 0.202 17668 1787 1 5 . 1 1 49 49 PRO HA H 54 5.373 5.373 5.022 0.351 17668 1788 1 5 . 1 1 49 49 PRO C C 54 178.311 178.311 176.513 1.798 17668 1789 1 5 . 1 1 49 49 PRO CA C 54 63.263 63.263 64.005 -0.742 17668 1790 1 5 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.849 0.394 17668 1791 1 5 . 1 1 50 50 LYS N N 55 116.992 116.992 117.485 -0.493 17668 1792 1 5 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.490 -0.370 17668 1793 1 5 . 1 1 50 50 LYS C C 55 177.802 177.802 177.997 -0.195 17668 1794 1 5 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.746 0.980 17668 1795 1 5 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.793 -1.928 17668 1796 1 5 . 1 1 50 50 LYS H H 55 8.284 8.284 7.711 0.573 17668 1797 1 5 . 1 1 51 51 GLN N N 56 115.352 115.352 117.673 -2.321 17668 1798 1 5 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.224 0.087 17668 1799 1 5 . 1 1 51 51 GLN C C 56 175.031 175.031 176.376 -1.345 17668 1800 1 5 . 1 1 51 51 GLN CA C 56 56.756 56.756 57.925 -1.169 17668 1801 1 5 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.396 3.356 17668 1802 1 5 . 1 1 51 51 GLN H H 56 7.864 7.864 8.806 -0.942 17668 1803 1 5 . 1 1 52 52 VAL N N 57 120.273 120.273 109.525 10.748 17668 1804 1 5 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.411 -0.018 17668 1805 1 5 . 1 1 52 52 VAL C C 57 170.718 170.718 173.846 -3.128 17668 1806 1 5 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.995 -0.223 17668 1807 1 5 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.760 -0.531 17668 1808 1 5 . 1 1 52 52 VAL H H 57 8.172 8.172 7.757 0.415 17668 1809 1 5 . 1 1 53 53 SER N N 58 116.992 116.992 113.066 3.926 17668 1810 1 5 . 1 1 53 53 SER C C 58 175.377 175.377 175.316 0.061 17668 1811 1 5 . 1 1 53 53 SER CA C 58 55.251 55.251 56.847 -1.597 17668 1812 1 5 . 1 1 53 53 SER CB C 58 66.750 66.750 66.580 0.170 17668 1813 1 5 . 1 1 53 53 SER H H 58 7.611 7.611 7.900 -0.289 17668 1814 1 5 . 1 1 54 54 GLU N N 59 120.820 120.820 121.345 -0.525 17668 1815 1 5 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.846 -0.488 17668 1816 1 5 . 1 1 54 54 GLU C C 59 178.308 178.308 178.285 0.023 17668 1817 1 5 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.620 1.123 17668 1818 1 5 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.558 0.682 17668 1819 1 5 . 1 1 54 54 GLU H H 59 8.930 8.930 8.603 0.327 17668 1820 1 5 . 1 1 55 55 ILE N N 60 118.086 118.086 120.108 -2.022 17668 1821 1 5 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.664 0.074 17668 1822 1 5 . 1 1 55 55 ILE C C 60 177.448 177.448 178.217 -0.769 17668 1823 1 5 . 1 1 55 55 ILE CA C 60 63.749 63.749 63.994 -0.245 17668 1824 1 5 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.747 0.768 17668 1825 1 5 . 1 1 55 55 ILE H H 60 7.583 7.583 7.480 0.103 17668 1826 1 5 . 1 1 56 56 THR N N 61 119.727 119.727 114.449 5.278 17668 1827 1 5 . 1 1 56 56 THR HA H 61 3.766 3.766 3.968 -0.202 17668 1828 1 5 . 1 1 56 56 THR C C 61 177.104 177.104 175.800 1.304 17668 1829 1 5 . 1 1 56 56 THR CA C 61 66.264 66.264 66.951 -0.687 17668 1830 1 5 . 1 1 56 56 THR CB C 61 68.245 68.245 68.523 -0.278 17668 1831 1 5 . 1 1 56 56 THR H H 61 7.471 7.471 7.949 -0.478 17668 1832 1 5 . 1 1 57 57 ILE N N 62 121.367 121.367 119.660 1.707 17668 1833 1 5 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.971 -0.940 17668 1834 1 5 . 1 1 57 57 ILE C C 62 176.756 176.756 176.645 0.111 17668 1835 1 5 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.245 3.515 17668 1836 1 5 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.138 0.113 17668 1837 1 5 . 1 1 57 57 ILE H H 62 7.259 7.259 7.289 -0.030 17668 1838 1 5 . 1 1 58 58 GLN N N 63 117.539 117.539 121.788 -4.249 17668 1839 1 5 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.817 -0.215 17668 1840 1 5 . 1 1 58 58 GLN C C 63 179.172 179.172 178.204 0.968 17668 1841 1 5 . 1 1 58 58 GLN CA C 63 59.755 59.755 60.033 -0.278 17668 1842 1 5 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.639 -0.905 17668 1843 1 5 . 1 1 58 58 GLN H H 63 7.976 7.976 8.758 -0.782 17668 1844 1 5 . 1 1 59 59 GLU N N 64 119.180 119.180 116.719 2.461 17668 1845 1 5 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.070 -0.196 17668 1846 1 5 . 1 1 59 59 GLU C C 64 179.866 179.866 178.949 0.917 17668 1847 1 5 . 1 1 59 59 GLU CA C 64 59.259 59.259 58.861 0.398 17668 1848 1 5 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.231 0.469 17668 1849 1 5 . 1 1 59 59 GLU H H 64 8.622 8.622 8.310 0.312 17668 1850 1 5 . 1 1 60 60 ARG N N 65 119.727 119.727 120.355 -0.628 17668 1851 1 5 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.248 -0.155 17668 1852 1 5 . 1 1 60 60 ARG C C 65 178.310 178.310 178.324 -0.014 17668 1853 1 5 . 1 1 60 60 ARG CA C 65 57.256 57.256 57.799 -0.543 17668 1854 1 5 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.942 -1.194 17668 1855 1 5 . 1 1 60 60 ARG H H 65 7.891 7.891 7.338 0.553 17668 1856 1 5 . 1 1 61 61 ILE N N 66 118.086 118.086 120.495 -2.409 17668 1857 1 5 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.762 -0.215 17668 1858 1 5 . 1 1 61 61 ILE C C 66 178.311 178.311 177.879 0.432 17668 1859 1 5 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.737 -0.993 17668 1860 1 5 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.989 -0.307 17668 1861 1 5 . 1 1 61 61 ILE H H 66 7.443 7.443 8.353 -0.910 17668 1862 1 5 . 1 1 62 62 ALA N N 67 121.914 121.914 121.307 0.607 17668 1863 1 5 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.411 0.118 17668 1864 1 5 . 1 1 62 62 ALA C C 67 182.626 182.626 178.933 3.693 17668 1865 1 5 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.541 -0.291 17668 1866 1 5 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.501 -0.766 17668 1867 1 5 . 1 1 62 62 ALA H H 67 8.116 8.116 8.484 -0.368 17668 1868 1 5 . 1 1 63 63 ALA N N 68 121.367 121.367 120.566 0.801 17668 1869 1 5 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.134 -0.122 17668 1870 1 5 . 1 1 63 63 ALA C C 68 179.690 179.690 179.218 0.472 17668 1871 1 5 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.133 0.126 17668 1872 1 5 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.383 -0.162 17668 1873 1 5 . 1 1 63 63 ALA H H 68 7.948 7.948 7.501 0.447 17668 1874 1 5 . 1 1 64 64 LEU N N 69 116.445 116.445 116.922 -0.477 17668 1875 1 5 . 1 1 64 64 LEU HA H 69 4.147 4.147 3.978 0.169 17668 1876 1 5 . 1 1 64 64 LEU C C 69 176.931 176.931 176.915 0.016 17668 1877 1 5 . 1 1 64 64 LEU CA C 69 55.245 55.245 55.714 -0.469 17668 1878 1 5 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.553 1.688 17668 1879 1 5 . 1 1 64 64 LEU H H 69 7.247 7.247 7.488 -0.241 17668 1880 1 5 . 1 1 65 65 GLY N N 70 103.867 103.867 103.184 0.683 17668 1881 1 5 . 1 1 65 65 GLY C C 70 173.651 173.651 173.852 -0.201 17668 1882 1 5 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.373 0.099 17668 1883 1 5 . 1 1 65 65 GLY H H 70 7.668 7.668 7.099 0.569 17668 1884 1 5 . 1 1 66 66 TYR N N 71 119.180 119.180 117.724 1.456 17668 1885 1 5 . 1 1 66 66 TYR C C 71 174.513 174.513 174.675 -0.162 17668 1886 1 5 . 1 1 66 66 TYR CA C 71 57.020 57.020 55.277 1.743 17668 1887 1 5 . 1 1 66 66 TYR CB C 71 39.502 39.502 40.044 -0.542 17668 1888 1 5 . 1 1 66 66 TYR H H 71 6.798 6.798 7.498 -0.700 17668 1889 1 5 . 1 1 67 67 THR N N 72 109.883 109.883 112.350 -2.467 17668 1890 1 5 . 1 1 67 67 THR C C 72 173.998 173.998 172.829 1.169 17668 1891 1 5 . 1 1 67 67 THR CA C 72 60.249 60.249 60.902 -0.653 17668 1892 1 5 . 1 1 67 67 THR CB C 72 71.254 71.254 70.430 0.824 17668 1893 1 5 . 1 1 67 67 THR H H 72 8.144 8.144 8.359 -0.215 17668 1894 1 5 . 1 1 68 68 LEU N N 73 122.461 122.461 119.307 3.154 17668 1895 1 5 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.400 -0.354 17668 1896 1 5 . 1 1 68 68 LEU C C 73 174.168 174.168 175.057 -0.889 17668 1897 1 5 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.181 0.071 17668 1898 1 5 . 1 1 68 68 LEU CB C 73 43.743 43.743 46.451 -2.708 17668 1899 1 5 . 1 1 68 68 LEU H H 73 8.397 8.397 8.353 0.044 17668 1900 1 5 . 1 1 69 69 ALA N N 74 125.195 125.195 123.141 2.054 17668 1901 1 5 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.731 -0.393 17668 1902 1 5 . 1 1 69 69 ALA C C 74 176.931 176.931 175.700 1.231 17668 1903 1 5 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.884 3.370 17668 1904 1 5 . 1 1 69 69 ALA CB C 74 18.225 18.225 21.373 -3.148 17668 1905 1 5 . 1 1 69 69 ALA H H 74 8.200 8.200 8.693 -0.493 17668 1906 1 5 . 1 1 70 70 GLU N N 75 120.820 120.820 124.685 -3.865 17668 1907 1 5 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.802 -0.328 17668 1908 1 5 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.147 2.311 17668 1909 1 5 . 1 1 70 70 GLU CB C 75 29.591 29.591 30.877 -1.286 17668 1910 1 5 . 1 1 70 70 GLU H H 75 8.397 8.397 8.656 -0.259 17668 1911 1 6 . 1 1 2 2 LEU N N 7 119.727 119.727 120.813 -1.086 17668 1912 1 6 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.595 -0.257 17668 1913 1 6 . 1 1 2 2 LEU C C 7 176.410 176.410 176.400 0.010 17668 1914 1 6 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.404 -0.394 17668 1915 1 6 . 1 1 2 2 LEU CB C 7 43.226 43.226 42.893 0.333 17668 1916 1 6 . 1 1 2 2 LEU H H 7 7.919 7.919 8.271 -0.352 17668 1917 1 6 . 1 1 3 3 LYS N N 8 123.008 123.008 120.741 2.267 17668 1918 1 6 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.708 -0.343 17668 1919 1 6 . 1 1 3 3 LYS C C 8 174.512 174.512 175.747 -1.235 17668 1920 1 6 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.301 0.440 17668 1921 1 6 . 1 1 3 3 LYS CB C 8 35.723 35.723 34.054 1.669 17668 1922 1 6 . 1 1 3 3 LYS H H 8 8.650 8.650 8.532 0.118 17668 1923 1 6 . 1 1 4 4 THR N N 9 120.273 120.273 121.193 -0.920 17668 1924 1 6 . 1 1 4 4 THR HA H 9 5.372 5.372 4.618 0.754 17668 1925 1 6 . 1 1 4 4 THR C C 9 174.170 174.170 174.467 -0.297 17668 1926 1 6 . 1 1 4 4 THR CA C 9 61.756 61.756 63.045 -1.289 17668 1927 1 6 . 1 1 4 4 THR CB C 9 70.757 70.757 69.491 1.266 17668 1928 1 6 . 1 1 4 4 THR H H 9 8.481 8.481 8.429 0.052 17668 1929 1 6 . 1 1 5 5 GLN N N 10 126.836 126.836 125.104 1.732 17668 1930 1 6 . 1 1 5 5 GLN C C 10 173.651 173.651 173.576 0.075 17668 1931 1 6 . 1 1 5 5 GLN CA C 10 54.236 54.236 54.885 -0.649 17668 1932 1 6 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.768 1.716 17668 1933 1 6 . 1 1 5 5 GLN H H 10 9.295 9.295 8.489 0.806 17668 1934 1 6 . 1 1 6 6 GLN N N 11 121.367 121.367 123.118 -1.751 17668 1935 1 6 . 1 1 6 6 GLN HA H 11 5.646 5.646 4.792 0.854 17668 1936 1 6 . 1 1 6 6 GLN C C 11 176.069 176.069 175.160 0.909 17668 1937 1 6 . 1 1 6 6 GLN CA C 11 53.760 53.760 56.095 -2.335 17668 1938 1 6 . 1 1 6 6 GLN CB C 11 31.237 31.237 30.241 0.996 17668 1939 1 6 . 1 1 6 6 GLN H H 11 8.425 8.425 8.641 -0.216 17668 1940 1 6 . 1 1 7 7 MET N N 12 120.273 120.273 123.791 -3.518 17668 1941 1 6 . 1 1 7 7 MET C C 12 173.824 173.824 174.005 -0.181 17668 1942 1 6 . 1 1 7 7 MET CA C 12 54.598 54.598 54.651 -0.053 17668 1943 1 6 . 1 1 7 7 MET CB C 12 37.258 37.258 36.714 0.544 17668 1944 1 6 . 1 1 7 7 MET H H 12 9.294 9.294 9.025 0.269 17668 1945 1 6 . 1 1 8 8 GLN N N 13 122.461 122.461 125.190 -2.729 17668 1946 1 6 . 1 1 8 8 GLN C C 13 174.863 174.863 174.140 0.723 17668 1947 1 6 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.935 -1.182 17668 1948 1 6 . 1 1 8 8 GLN CB C 13 30.243 30.243 29.822 0.421 17668 1949 1 6 . 1 1 8 8 GLN H H 13 8.790 8.790 8.406 0.384 17668 1950 1 6 . 1 1 9 9 VAL N N 14 126.289 126.289 122.115 4.174 17668 1951 1 6 . 1 1 9 9 VAL C C 14 176.586 176.586 175.563 1.023 17668 1952 1 6 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.925 0.330 17668 1953 1 6 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.847 -2.380 17668 1954 1 6 . 1 1 9 9 VAL H H 14 8.930 8.930 8.262 0.668 17668 1955 1 6 . 1 1 10 10 GLY N N 15 117.539 117.539 111.697 5.842 17668 1956 1 6 . 1 1 10 10 GLY C C 15 173.997 173.997 173.905 0.092 17668 1957 1 6 . 1 1 10 10 GLY CA C 15 44.245 44.245 43.913 0.332 17668 1958 1 6 . 1 1 10 10 GLY H H 15 9.351 9.351 8.615 0.736 17668 1959 1 6 . 1 1 11 11 GLY N N 16 107.149 107.149 111.576 -4.427 17668 1960 1 6 . 1 1 11 11 GLY C C 16 176.067 176.067 174.142 1.925 17668 1961 1 6 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.954 -0.698 17668 1962 1 6 . 1 1 11 11 GLY H H 16 8.284 8.284 8.548 -0.264 17668 1963 1 6 . 1 1 12 12 MET N N 17 118.633 118.633 119.225 -0.592 17668 1964 1 6 . 1 1 12 12 MET C C 17 177.102 177.102 175.785 1.317 17668 1965 1 6 . 1 1 12 12 MET CA C 17 57.740 57.740 55.773 1.966 17668 1966 1 6 . 1 1 12 12 MET CB C 17 34.243 34.243 32.817 1.426 17668 1967 1 6 . 1 1 12 12 MET H H 17 8.509 8.509 7.730 0.779 17668 1968 1 6 . 1 1 13 13 ARG N N 18 126.836 126.836 121.317 5.519 17668 1969 1 6 . 1 1 13 13 ARG C C 18 175.032 175.032 175.224 -0.192 17668 1970 1 6 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.688 0.551 17668 1971 1 6 . 1 1 13 13 ARG CB C 18 32.744 32.744 27.893 4.851 17668 1972 1 6 . 1 1 13 13 ARG H H 18 10.782 10.782 7.873 2.909 17668 1973 1 6 . 1 1 14 14 CYS N N 19 114.805 114.805 120.875 -6.070 17668 1974 1 6 . 1 1 14 14 CYS CA C 19 56.217 56.217 57.912 -1.695 17668 1975 1 6 . 1 1 14 14 CYS CB C 19 30.413 30.413 29.984 0.429 17668 1976 1 6 . 1 1 14 14 CYS H H 19 8.425 8.425 7.845 0.580 17668 1977 1 6 . 1 1 15 15 ALA CA C 20 51.257 51.257 53.656 -2.399 17668 1978 1 6 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.718 0.529 17668 1979 1 6 . 1 1 16 16 ALA N N 21 118.906 118.906 127.268 -8.362 17668 1980 1 6 . 1 1 16 16 ALA HA H 21 4.147 4.147 3.994 0.153 17668 1981 1 6 . 1 1 16 16 ALA C C 21 180.553 180.553 179.084 1.469 17668 1982 1 6 . 1 1 16 16 ALA CA C 21 54.756 54.756 53.859 0.897 17668 1983 1 6 . 1 1 16 16 ALA CB C 21 18.233 18.233 17.328 0.905 17668 1984 1 6 . 1 1 17 17 CYS N N 22 121.914 121.914 119.081 2.833 17668 1985 1 6 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.293 -0.472 17668 1986 1 6 . 1 1 17 17 CYS C C 22 177.966 177.966 176.987 0.979 17668 1987 1 6 . 1 1 17 17 CYS CA C 22 64.748 64.748 62.270 2.478 17668 1988 1 6 . 1 1 17 17 CYS CB C 22 29.245 29.245 27.262 1.983 17668 1989 1 6 . 1 1 17 17 CYS H H 22 7.640 7.640 7.973 -0.333 17668 1990 1 6 . 1 1 18 18 ALA N N 23 119.180 119.180 122.806 -3.626 17668 1991 1 6 . 1 1 18 18 ALA HA H 23 3.603 3.603 4.142 -0.539 17668 1992 1 6 . 1 1 18 18 ALA C C 23 179.173 179.173 178.192 0.981 17668 1993 1 6 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.381 0.877 17668 1994 1 6 . 1 1 18 18 ALA CB C 23 18.741 18.741 17.938 0.803 17668 1995 1 6 . 1 1 18 18 ALA H H 23 6.629 6.629 8.530 -1.901 17668 1996 1 6 . 1 1 19 19 SER N N 24 112.618 112.618 112.651 -0.033 17668 1997 1 6 . 1 1 19 19 SER HA H 24 4.147 4.147 4.224 -0.077 17668 1998 1 6 . 1 1 19 19 SER C C 24 176.764 176.764 176.394 0.370 17668 1999 1 6 . 1 1 19 19 SER CA C 24 61.259 61.259 60.530 0.729 17668 2000 1 6 . 1 1 19 19 SER CB C 24 62.754 62.754 62.883 -0.129 17668 2001 1 6 . 1 1 19 19 SER H H 24 7.752 7.752 8.306 -0.554 17668 2002 1 6 . 1 1 20 20 SER N N 25 116.992 116.992 118.579 -1.587 17668 2003 1 6 . 1 1 20 20 SER HA H 25 3.521 3.521 4.380 -0.859 17668 2004 1 6 . 1 1 20 20 SER C C 25 177.448 177.448 175.545 1.903 17668 2005 1 6 . 1 1 20 20 SER CA C 25 61.870 61.870 60.652 1.218 17668 2006 1 6 . 1 1 20 20 SER CB C 25 62.751 62.751 63.251 -0.500 17668 2007 1 6 . 1 1 20 20 SER H H 25 7.989 7.989 7.716 0.273 17668 2008 1 6 . 1 1 21 21 ILE N N 26 122.461 122.461 122.991 -0.530 17668 2009 1 6 . 1 1 21 21 ILE HA H 26 3.330 3.330 4.015 -0.685 17668 2010 1 6 . 1 1 21 21 ILE C C 26 176.930 176.930 177.108 -0.178 17668 2011 1 6 . 1 1 21 21 ILE CA C 26 66.255 66.255 63.617 2.639 17668 2012 1 6 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.524 -0.287 17668 2013 1 6 . 1 1 21 21 ILE H H 26 7.583 7.583 7.669 -0.086 17668 2014 1 6 . 1 1 22 22 GLU N N 27 116.992 116.992 119.730 -2.738 17668 2015 1 6 . 1 1 22 22 GLU HA H 27 3.466 3.466 4.033 -0.567 17668 2016 1 6 . 1 1 22 22 GLU C C 27 178.916 178.916 178.831 0.085 17668 2017 1 6 . 1 1 22 22 GLU CA C 27 60.753 60.753 58.982 1.771 17668 2018 1 6 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.826 -0.119 17668 2019 1 6 . 1 1 22 22 GLU H H 27 8.004 8.004 8.423 -0.419 17668 2020 1 6 . 1 1 23 23 ARG N N 28 114.805 114.805 119.291 -4.486 17668 2021 1 6 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.098 -0.142 17668 2022 1 6 . 1 1 23 23 ARG C C 28 179.517 179.517 178.553 0.964 17668 2023 1 6 . 1 1 23 23 ARG CA C 28 58.752 58.752 59.242 -0.490 17668 2024 1 6 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.240 0.506 17668 2025 1 6 . 1 1 23 23 ARG H H 28 8.256 8.256 7.759 0.497 17668 2026 1 6 . 1 1 24 24 ALA N N 29 118.633 118.633 120.856 -2.223 17668 2027 1 6 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.198 -0.241 17668 2028 1 6 . 1 1 24 24 ALA C C 29 181.073 181.073 179.251 1.822 17668 2029 1 6 . 1 1 24 24 ALA CA C 29 54.749 54.749 54.135 0.614 17668 2030 1 6 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.370 0.359 17668 2031 1 6 . 1 1 24 24 ALA H H 29 7.555 7.555 7.859 -0.304 17668 2032 1 6 . 1 1 25 25 LEU N N 30 115.899 115.899 119.904 -4.005 17668 2033 1 6 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.086 -0.102 17668 2034 1 6 . 1 1 25 25 LEU C C 30 178.658 178.658 177.620 1.038 17668 2035 1 6 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.074 0.147 17668 2036 1 6 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.949 -0.701 17668 2037 1 6 . 1 1 25 25 LEU H H 30 7.976 7.976 7.875 0.101 17668 2038 1 6 . 1 1 26 26 GLU N N 31 115.899 115.899 115.383 0.516 17668 2039 1 6 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.229 -0.491 17668 2040 1 6 . 1 1 26 26 GLU C C 31 177.793 177.793 177.827 -0.034 17668 2041 1 6 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.831 0.896 17668 2042 1 6 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.863 -0.622 17668 2043 1 6 . 1 1 26 26 GLU H H 31 8.116 8.116 8.079 0.037 17668 2044 1 6 . 1 1 27 27 ARG N N 32 114.258 114.258 118.338 -4.080 17668 2045 1 6 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.504 -0.357 17668 2046 1 6 . 1 1 27 27 ARG C C 32 176.757 176.757 176.804 -0.047 17668 2047 1 6 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.888 0.362 17668 2048 1 6 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.902 -1.158 17668 2049 1 6 . 1 1 27 27 ARG H H 32 6.854 6.854 7.844 -0.990 17668 2050 1 6 . 1 1 28 28 LEU N N 33 123.008 123.008 121.153 1.855 17668 2051 1 6 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.221 -0.019 17668 2052 1 6 . 1 1 28 28 LEU C C 33 176.412 176.412 176.530 -0.118 17668 2053 1 6 . 1 1 28 28 LEU CA C 33 54.249 54.249 54.957 -0.708 17668 2054 1 6 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.596 -0.857 17668 2055 1 6 . 1 1 28 28 LEU H H 33 7.501 7.501 7.454 0.047 17668 2056 1 6 . 1 1 29 29 LYS N N 34 127.383 127.383 120.817 6.566 17668 2057 1 6 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.342 -0.468 17668 2058 1 6 . 1 1 29 29 LYS C C 34 176.412 176.412 177.710 -1.298 17668 2059 1 6 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.477 1.764 17668 2060 1 6 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.495 -0.749 17668 2061 1 6 . 1 1 29 29 LYS H H 34 8.341 8.341 8.632 -0.291 17668 2062 1 6 . 1 1 30 30 GLY N N 35 111.524 111.524 111.030 0.494 17668 2063 1 6 . 1 1 30 30 GLY C C 35 175.715 175.715 172.950 2.765 17668 2064 1 6 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.861 -0.374 17668 2065 1 6 . 1 1 30 30 GLY H H 35 8.509 8.509 8.927 -0.418 17668 2066 1 6 . 1 1 31 31 VAL N N 36 122.461 122.461 117.160 5.301 17668 2067 1 6 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.828 -0.954 17668 2068 1 6 . 1 1 31 31 VAL C C 36 175.032 175.032 173.686 1.346 17668 2069 1 6 . 1 1 31 31 VAL CA C 36 63.757 63.757 60.438 3.319 17668 2070 1 6 . 1 1 31 31 VAL CB C 36 31.250 31.250 33.141 -1.891 17668 2071 1 6 . 1 1 31 31 VAL H H 36 7.892 7.892 7.437 0.455 17668 2072 1 6 . 1 1 32 32 ALA N N 37 131.758 131.758 131.458 0.300 17668 2073 1 6 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.661 -0.296 17668 2074 1 6 . 1 1 32 32 ALA C C 37 177.619 177.619 176.985 0.634 17668 2075 1 6 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.362 0.884 17668 2076 1 6 . 1 1 32 32 ALA CB C 37 20.722 20.722 20.807 -0.085 17668 2077 1 6 . 1 1 32 32 ALA H H 37 9.042 9.042 8.804 0.238 17668 2078 1 6 . 1 1 33 33 GLU N N 38 114.258 114.258 119.019 -4.761 17668 2079 1 6 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.545 -0.044 17668 2080 1 6 . 1 1 33 33 GLU C C 38 173.651 173.651 174.035 -0.384 17668 2081 1 6 . 1 1 33 33 GLU CA C 38 55.577 55.577 57.021 -1.444 17668 2082 1 6 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.200 1.466 17668 2083 1 6 . 1 1 33 33 GLU H H 38 7.555 7.555 7.784 -0.229 17668 2084 1 6 . 1 1 34 34 ALA N N 39 125.742 125.742 127.282 -1.540 17668 2085 1 6 . 1 1 34 34 ALA HA H 39 5.101 5.101 4.864 0.237 17668 2086 1 6 . 1 1 34 34 ALA C C 39 175.033 175.033 175.468 -0.435 17668 2087 1 6 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.083 0.197 17668 2088 1 6 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.372 0.865 17668 2089 1 6 . 1 1 34 34 ALA H H 39 9.014 9.014 8.243 0.771 17668 2090 1 6 . 1 1 35 35 SER N N 40 113.711 113.711 115.910 -2.199 17668 2091 1 6 . 1 1 35 35 SER HA H 40 4.855 4.855 5.140 -0.285 17668 2092 1 6 . 1 1 35 35 SER C C 40 173.824 173.824 173.631 0.193 17668 2093 1 6 . 1 1 35 35 SER CA C 40 56.254 56.254 57.805 -1.551 17668 2094 1 6 . 1 1 35 35 SER CB C 40 65.255 65.255 65.962 -0.707 17668 2095 1 6 . 1 1 35 35 SER H H 40 8.481 8.481 8.856 -0.375 17668 2096 1 6 . 1 1 36 36 VAL N N 41 129.570 129.570 122.961 6.609 17668 2097 1 6 . 1 1 36 36 VAL C C 41 175.204 175.204 175.522 -0.318 17668 2098 1 6 . 1 1 36 36 VAL CA C 41 60.265 60.265 60.623 -0.358 17668 2099 1 6 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.065 1.678 17668 2100 1 6 . 1 1 36 36 VAL H H 41 10.164 10.164 9.191 0.973 17668 2101 1 6 . 1 1 37 37 THR N N 42 123.008 123.008 120.476 2.532 17668 2102 1 6 . 1 1 37 37 THR HA H 42 4.392 4.392 4.635 -0.243 17668 2103 1 6 . 1 1 37 37 THR C C 42 175.030 175.030 174.490 0.540 17668 2104 1 6 . 1 1 37 37 THR CA C 42 60.760 60.760 61.008 -0.248 17668 2105 1 6 . 1 1 37 37 THR CB C 42 69.255 69.255 70.542 -1.287 17668 2106 1 6 . 1 1 37 37 THR H H 42 8.453 8.453 8.428 0.025 17668 2107 1 6 . 1 1 38 38 VAL N N 43 128.476 128.476 127.836 0.640 17668 2108 1 6 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.675 -0.373 17668 2109 1 6 . 1 1 38 38 VAL C C 43 176.067 176.067 177.620 -1.553 17668 2110 1 6 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.333 -2.065 17668 2111 1 6 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.367 0.860 17668 2112 1 6 . 1 1 38 38 VAL H H 43 8.789 8.789 8.821 -0.032 17668 2113 1 6 . 1 1 39 39 ALA N N 44 119.180 119.180 120.583 -1.403 17668 2114 1 6 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.187 -0.203 17668 2115 1 6 . 1 1 39 39 ALA C C 44 179.167 179.167 178.260 0.907 17668 2116 1 6 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.901 0.324 17668 2117 1 6 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.817 0.178 17668 2118 1 6 . 1 1 39 39 ALA H H 44 8.509 8.509 8.190 0.319 17668 2119 1 6 . 1 1 40 40 THR N N 45 135.586 135.586 105.383 30.203 17668 2120 1 6 . 1 1 40 40 THR HA H 45 4.338 4.338 4.258 0.080 17668 2121 1 6 . 1 1 40 40 THR C C 45 176.237 176.237 175.067 1.170 17668 2122 1 6 . 1 1 40 40 THR CA C 45 60.254 60.254 61.524 -1.270 17668 2123 1 6 . 1 1 40 40 THR CB C 45 70.261 70.261 70.080 0.181 17668 2124 1 6 . 1 1 40 40 THR H H 45 6.713 6.713 7.541 -0.828 17668 2125 1 6 . 1 1 41 41 GLY N N 46 110.977 110.977 111.782 -0.805 17668 2126 1 6 . 1 1 41 41 GLY C C 46 172.096 172.096 173.948 -1.852 17668 2127 1 6 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.624 0.601 17668 2128 1 6 . 1 1 41 41 GLY H H 46 7.835 7.835 7.883 -0.048 17668 2129 1 6 . 1 1 42 42 ARG N N 47 118.086 118.086 116.525 1.561 17668 2130 1 6 . 1 1 42 42 ARG C C 47 175.032 175.032 173.794 1.238 17668 2131 1 6 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.307 1.943 17668 2132 1 6 . 1 1 42 42 ARG CB C 47 31.739 31.739 33.273 -1.534 17668 2133 1 6 . 1 1 42 42 ARG H H 47 7.303 7.303 7.602 -0.299 17668 2134 1 6 . 1 1 43 43 LEU N N 48 129.023 129.023 118.806 10.217 17668 2135 1 6 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.125 -0.106 17668 2136 1 6 . 1 1 43 43 LEU C C 48 175.033 175.033 175.208 -0.175 17668 2137 1 6 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.931 -0.681 17668 2138 1 6 . 1 1 43 43 LEU CB C 48 45.081 45.081 47.197 -2.115 17668 2139 1 6 . 1 1 43 43 LEU H H 48 8.986 8.986 8.588 0.398 17668 2140 1 6 . 1 1 44 44 THR N N 49 123.008 123.008 117.607 5.401 17668 2141 1 6 . 1 1 44 44 THR HA H 49 4.964 4.964 5.369 -0.405 17668 2142 1 6 . 1 1 44 44 THR C C 49 173.475 173.475 172.621 0.854 17668 2143 1 6 . 1 1 44 44 THR CA C 49 61.752 61.752 61.795 -0.043 17668 2144 1 6 . 1 1 44 44 THR CB C 49 69.756 69.756 71.238 -1.482 17668 2145 1 6 . 1 1 44 44 THR H H 49 9.154 9.154 8.379 0.775 17668 2146 1 6 . 1 1 45 45 VAL N N 50 125.195 125.195 125.153 0.042 17668 2147 1 6 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.518 0.664 17668 2148 1 6 . 1 1 45 45 VAL C C 50 172.614 172.614 173.495 -0.881 17668 2149 1 6 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.745 -1.984 17668 2150 1 6 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.483 -1.031 17668 2151 1 6 . 1 1 45 45 VAL H H 50 9.071 9.071 9.277 -0.206 17668 2152 1 6 . 1 1 46 46 THR N N 51 124.648 124.648 125.723 -1.075 17668 2153 1 6 . 1 1 46 46 THR HA H 51 5.782 5.782 5.254 0.528 17668 2154 1 6 . 1 1 46 46 THR C C 51 174.684 174.684 173.117 1.567 17668 2155 1 6 . 1 1 46 46 THR CA C 51 61.248 61.248 61.068 0.180 17668 2156 1 6 . 1 1 46 46 THR CB C 51 70.265 70.265 69.101 1.164 17668 2157 1 6 . 1 1 46 46 THR H H 51 8.930 8.930 8.233 0.697 17668 2158 1 6 . 1 1 47 47 TYR N N 52 124.648 124.648 124.323 0.325 17668 2159 1 6 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.571 -0.280 17668 2160 1 6 . 1 1 47 47 TYR C C 52 171.408 171.408 173.237 -1.829 17668 2161 1 6 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.076 0.169 17668 2162 1 6 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.311 0.443 17668 2163 1 6 . 1 1 47 47 TYR H H 52 9.603 9.603 8.293 1.310 17668 2164 1 6 . 1 1 48 48 ASP N N 53 119.180 119.180 118.639 0.541 17668 2165 1 6 . 1 1 48 48 ASP HA H 53 4.965 4.965 4.903 0.062 17668 2166 1 6 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.589 -0.580 17668 2167 1 6 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.188 -0.630 17668 2168 1 6 . 1 1 48 48 ASP H H 53 8.481 8.481 8.196 0.285 17668 2169 1 6 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.639 0.734 17668 2170 1 6 . 1 1 49 49 PRO C C 54 178.311 178.311 176.225 2.086 17668 2171 1 6 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.456 -0.193 17668 2172 1 6 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.973 0.270 17668 2173 1 6 . 1 1 50 50 LYS N N 55 116.992 116.992 118.703 -1.711 17668 2174 1 6 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.490 -0.370 17668 2175 1 6 . 1 1 50 50 LYS C C 55 177.802 177.802 177.923 -0.121 17668 2176 1 6 . 1 1 50 50 LYS CA C 55 57.726 57.726 57.122 0.604 17668 2177 1 6 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.844 -1.979 17668 2178 1 6 . 1 1 50 50 LYS H H 55 8.284 8.284 8.237 0.047 17668 2179 1 6 . 1 1 51 51 GLN N N 56 115.352 115.352 118.204 -2.852 17668 2180 1 6 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.424 -0.113 17668 2181 1 6 . 1 1 51 51 GLN C C 56 175.031 175.031 175.912 -0.881 17668 2182 1 6 . 1 1 51 51 GLN CA C 56 56.756 56.756 57.219 -0.463 17668 2183 1 6 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.228 3.524 17668 2184 1 6 . 1 1 51 51 GLN H H 56 7.864 7.864 8.902 -1.038 17668 2185 1 6 . 1 1 52 52 VAL N N 57 120.273 120.273 112.951 7.322 17668 2186 1 6 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.503 -0.110 17668 2187 1 6 . 1 1 52 52 VAL C C 57 170.718 170.718 174.211 -3.493 17668 2188 1 6 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.126 0.646 17668 2189 1 6 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.352 -0.124 17668 2190 1 6 . 1 1 52 52 VAL H H 57 8.172 8.172 8.430 -0.258 17668 2191 1 6 . 1 1 53 53 SER N N 58 116.992 116.992 111.526 5.466 17668 2192 1 6 . 1 1 53 53 SER C C 58 175.377 175.377 175.432 -0.055 17668 2193 1 6 . 1 1 53 53 SER CA C 58 55.251 55.251 57.697 -2.446 17668 2194 1 6 . 1 1 53 53 SER CB C 58 66.750 66.750 64.740 2.010 17668 2195 1 6 . 1 1 53 53 SER H H 58 7.611 7.611 8.017 -0.406 17668 2196 1 6 . 1 1 54 54 GLU N N 59 120.820 120.820 121.265 -0.445 17668 2197 1 6 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.695 -0.337 17668 2198 1 6 . 1 1 54 54 GLU C C 59 178.308 178.308 177.553 0.755 17668 2199 1 6 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.600 1.143 17668 2200 1 6 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.743 0.497 17668 2201 1 6 . 1 1 54 54 GLU H H 59 8.930 8.930 8.907 0.023 17668 2202 1 6 . 1 1 55 55 ILE N N 60 118.086 118.086 120.783 -2.697 17668 2203 1 6 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.725 0.013 17668 2204 1 6 . 1 1 55 55 ILE C C 60 177.448 177.448 178.214 -0.766 17668 2205 1 6 . 1 1 55 55 ILE CA C 60 63.749 63.749 63.035 0.714 17668 2206 1 6 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.425 1.090 17668 2207 1 6 . 1 1 55 55 ILE H H 60 7.583 7.583 7.556 0.027 17668 2208 1 6 . 1 1 56 56 THR N N 61 119.727 119.727 114.905 4.822 17668 2209 1 6 . 1 1 56 56 THR HA H 61 3.766 3.766 3.960 -0.194 17668 2210 1 6 . 1 1 56 56 THR C C 61 177.104 177.104 175.898 1.206 17668 2211 1 6 . 1 1 56 56 THR CA C 61 66.264 66.264 66.353 -0.089 17668 2212 1 6 . 1 1 56 56 THR CB C 61 68.245 68.245 68.768 -0.523 17668 2213 1 6 . 1 1 56 56 THR H H 61 7.471 7.471 7.992 -0.521 17668 2214 1 6 . 1 1 57 57 ILE N N 62 121.367 121.367 119.505 1.862 17668 2215 1 6 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.131 -1.100 17668 2216 1 6 . 1 1 57 57 ILE C C 62 176.756 176.756 176.439 0.317 17668 2217 1 6 . 1 1 57 57 ILE CA C 62 65.760 65.760 61.552 4.208 17668 2218 1 6 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.618 -0.367 17668 2219 1 6 . 1 1 57 57 ILE H H 62 7.259 7.259 7.354 -0.095 17668 2220 1 6 . 1 1 58 58 GLN N N 63 117.539 117.539 121.469 -3.930 17668 2221 1 6 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.857 -0.255 17668 2222 1 6 . 1 1 58 58 GLN C C 63 179.172 179.172 177.969 1.203 17668 2223 1 6 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.994 -0.239 17668 2224 1 6 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.563 -0.829 17668 2225 1 6 . 1 1 58 58 GLN H H 63 7.976 7.976 8.670 -0.694 17668 2226 1 6 . 1 1 59 59 GLU N N 64 119.180 119.180 117.020 2.160 17668 2227 1 6 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.158 -0.284 17668 2228 1 6 . 1 1 59 59 GLU C C 64 179.866 179.866 177.795 2.071 17668 2229 1 6 . 1 1 59 59 GLU CA C 64 59.259 59.259 58.105 1.155 17668 2230 1 6 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.251 0.449 17668 2231 1 6 . 1 1 59 59 GLU H H 64 8.622 8.622 7.752 0.870 17668 2232 1 6 . 1 1 60 60 ARG N N 65 119.727 119.727 119.931 -0.204 17668 2233 1 6 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.322 -0.229 17668 2234 1 6 . 1 1 60 60 ARG C C 65 178.310 178.310 177.965 0.345 17668 2235 1 6 . 1 1 60 60 ARG CA C 65 57.256 57.256 57.644 -0.388 17668 2236 1 6 . 1 1 60 60 ARG CB C 65 28.748 28.748 30.884 -2.136 17668 2237 1 6 . 1 1 60 60 ARG H H 65 7.891 7.891 7.365 0.526 17668 2238 1 6 . 1 1 61 61 ILE N N 66 118.086 118.086 120.735 -2.649 17668 2239 1 6 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.575 -0.028 17668 2240 1 6 . 1 1 61 61 ILE C C 66 178.311 178.311 177.494 0.817 17668 2241 1 6 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.845 -1.100 17668 2242 1 6 . 1 1 61 61 ILE CB C 66 37.681 37.681 38.078 -0.397 17668 2243 1 6 . 1 1 61 61 ILE H H 66 7.443 7.443 8.389 -0.946 17668 2244 1 6 . 1 1 62 62 ALA N N 67 121.914 121.914 120.064 1.850 17668 2245 1 6 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.491 0.038 17668 2246 1 6 . 1 1 62 62 ALA C C 67 182.626 182.626 178.673 3.953 17668 2247 1 6 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.065 0.185 17668 2248 1 6 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.569 -0.834 17668 2249 1 6 . 1 1 62 62 ALA H H 67 8.116 8.116 8.414 -0.298 17668 2250 1 6 . 1 1 63 63 ALA N N 68 121.367 121.367 120.821 0.546 17668 2251 1 6 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.175 -0.163 17668 2252 1 6 . 1 1 63 63 ALA C C 68 179.690 179.690 178.796 0.894 17668 2253 1 6 . 1 1 63 63 ALA CA C 68 54.259 54.259 53.981 0.278 17668 2254 1 6 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.708 -0.487 17668 2255 1 6 . 1 1 63 63 ALA H H 68 7.948 7.948 7.297 0.651 17668 2256 1 6 . 1 1 64 64 LEU N N 69 116.445 116.445 116.887 -0.442 17668 2257 1 6 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.023 0.124 17668 2258 1 6 . 1 1 64 64 LEU C C 69 176.931 176.931 176.955 -0.024 17668 2259 1 6 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.941 0.303 17668 2260 1 6 . 1 1 64 64 LEU CB C 69 43.241 43.241 40.529 2.712 17668 2261 1 6 . 1 1 64 64 LEU H H 69 7.247 7.247 7.743 -0.496 17668 2262 1 6 . 1 1 65 65 GLY N N 70 103.867 103.867 104.943 -1.076 17668 2263 1 6 . 1 1 65 65 GLY C C 70 173.651 173.651 174.964 -1.313 17668 2264 1 6 . 1 1 65 65 GLY CA C 70 44.472 44.472 45.397 -0.925 17668 2265 1 6 . 1 1 65 65 GLY H H 70 7.668 7.668 7.216 0.452 17668 2266 1 6 . 1 1 66 66 TYR N N 71 119.180 119.180 118.759 0.421 17668 2267 1 6 . 1 1 66 66 TYR C C 71 174.513 174.513 175.586 -1.073 17668 2268 1 6 . 1 1 66 66 TYR CA C 71 57.020 57.020 55.644 1.376 17668 2269 1 6 . 1 1 66 66 TYR CB C 71 39.502 39.502 39.171 0.331 17668 2270 1 6 . 1 1 66 66 TYR H H 71 6.798 6.798 7.541 -0.743 17668 2271 1 6 . 1 1 67 67 THR N N 72 109.883 109.883 111.611 -1.728 17668 2272 1 6 . 1 1 67 67 THR C C 72 173.998 173.998 172.911 1.087 17668 2273 1 6 . 1 1 67 67 THR CA C 72 60.249 60.249 60.959 -0.710 17668 2274 1 6 . 1 1 67 67 THR CB C 72 71.254 71.254 70.422 0.832 17668 2275 1 6 . 1 1 67 67 THR H H 72 8.144 8.144 8.627 -0.483 17668 2276 1 6 . 1 1 68 68 LEU N N 73 122.461 122.461 118.331 4.130 17668 2277 1 6 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.596 -0.550 17668 2278 1 6 . 1 1 68 68 LEU C C 73 174.168 174.168 174.667 -0.499 17668 2279 1 6 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.099 0.153 17668 2280 1 6 . 1 1 68 68 LEU CB C 73 43.743 43.743 46.527 -2.784 17668 2281 1 6 . 1 1 68 68 LEU H H 73 8.397 8.397 8.405 -0.008 17668 2282 1 6 . 1 1 69 69 ALA N N 74 125.195 125.195 120.658 4.537 17668 2283 1 6 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.643 -0.305 17668 2284 1 6 . 1 1 69 69 ALA C C 74 176.931 176.931 175.054 1.877 17668 2285 1 6 . 1 1 69 69 ALA CA C 74 55.254 55.254 52.276 2.978 17668 2286 1 6 . 1 1 69 69 ALA CB C 74 18.225 18.225 22.454 -4.229 17668 2287 1 6 . 1 1 69 69 ALA H H 74 8.200 8.200 8.506 -0.306 17668 2288 1 6 . 1 1 70 70 GLU N N 75 120.820 120.820 122.172 -1.352 17668 2289 1 6 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.929 -0.455 17668 2290 1 6 . 1 1 70 70 GLU CA C 75 54.458 54.458 53.368 1.090 17668 2291 1 6 . 1 1 70 70 GLU CB C 75 29.591 29.591 32.606 -3.015 17668 2292 1 6 . 1 1 70 70 GLU H H 75 8.397 8.397 8.752 -0.355 17668 2293 1 7 . 1 1 2 2 LEU N N 7 119.727 119.727 118.530 1.197 17668 2294 1 7 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.889 -0.551 17668 2295 1 7 . 1 1 2 2 LEU C C 7 176.410 176.410 176.366 0.044 17668 2296 1 7 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.109 -0.099 17668 2297 1 7 . 1 1 2 2 LEU CB C 7 43.226 43.226 42.559 0.667 17668 2298 1 7 . 1 1 2 2 LEU H H 7 7.919 7.919 8.447 -0.528 17668 2299 1 7 . 1 1 3 3 LYS N N 8 123.008 123.008 121.184 1.824 17668 2300 1 7 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.656 -0.291 17668 2301 1 7 . 1 1 3 3 LYS C C 8 174.512 174.512 174.915 -0.403 17668 2302 1 7 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.250 0.491 17668 2303 1 7 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.022 0.701 17668 2304 1 7 . 1 1 3 3 LYS H H 8 8.650 8.650 8.681 -0.031 17668 2305 1 7 . 1 1 4 4 THR N N 9 120.273 120.273 115.696 4.577 17668 2306 1 7 . 1 1 4 4 THR HA H 9 5.372 5.372 4.537 0.835 17668 2307 1 7 . 1 1 4 4 THR C C 9 174.170 174.170 174.280 -0.110 17668 2308 1 7 . 1 1 4 4 THR CA C 9 61.756 61.756 62.404 -0.648 17668 2309 1 7 . 1 1 4 4 THR CB C 9 70.757 70.757 69.535 1.222 17668 2310 1 7 . 1 1 4 4 THR H H 9 8.481 8.481 8.273 0.208 17668 2311 1 7 . 1 1 5 5 GLN N N 10 126.836 126.836 123.434 3.402 17668 2312 1 7 . 1 1 5 5 GLN C C 10 173.651 173.651 173.247 0.404 17668 2313 1 7 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.762 -1.526 17668 2314 1 7 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.260 2.224 17668 2315 1 7 . 1 1 5 5 GLN H H 10 9.295 9.295 8.222 1.073 17668 2316 1 7 . 1 1 6 6 GLN N N 11 121.367 121.367 125.726 -4.359 17668 2317 1 7 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.007 0.639 17668 2318 1 7 . 1 1 6 6 GLN C C 11 176.069 176.069 174.556 1.513 17668 2319 1 7 . 1 1 6 6 GLN CA C 11 53.760 53.760 55.496 -1.736 17668 2320 1 7 . 1 1 6 6 GLN CB C 11 31.237 31.237 30.759 0.477 17668 2321 1 7 . 1 1 6 6 GLN H H 11 8.425 8.425 8.640 -0.215 17668 2322 1 7 . 1 1 7 7 MET N N 12 120.273 120.273 124.974 -4.701 17668 2323 1 7 . 1 1 7 7 MET C C 12 173.824 173.824 173.963 -0.139 17668 2324 1 7 . 1 1 7 7 MET CA C 12 54.598 54.598 54.715 -0.117 17668 2325 1 7 . 1 1 7 7 MET CB C 12 37.258 37.258 37.247 0.011 17668 2326 1 7 . 1 1 7 7 MET H H 12 9.294 9.294 8.963 0.331 17668 2327 1 7 . 1 1 8 8 GLN N N 13 122.461 122.461 121.260 1.201 17668 2328 1 7 . 1 1 8 8 GLN C C 13 174.863 174.863 174.236 0.627 17668 2329 1 7 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.149 -0.396 17668 2330 1 7 . 1 1 8 8 GLN CB C 13 30.243 30.243 31.836 -1.593 17668 2331 1 7 . 1 1 8 8 GLN H H 13 8.790 8.790 8.942 -0.152 17668 2332 1 7 . 1 1 9 9 VAL N N 14 126.289 126.289 122.048 4.241 17668 2333 1 7 . 1 1 9 9 VAL C C 14 176.586 176.586 174.283 2.303 17668 2334 1 7 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.844 0.411 17668 2335 1 7 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.464 -1.997 17668 2336 1 7 . 1 1 9 9 VAL H H 14 8.930 8.930 8.608 0.322 17668 2337 1 7 . 1 1 10 10 GLY N N 15 117.539 117.539 115.289 2.250 17668 2338 1 7 . 1 1 10 10 GLY C C 15 173.997 173.997 173.397 0.600 17668 2339 1 7 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.204 0.041 17668 2340 1 7 . 1 1 10 10 GLY H H 15 9.351 9.351 8.972 0.379 17668 2341 1 7 . 1 1 11 11 GLY N N 16 107.149 107.149 112.609 -5.460 17668 2342 1 7 . 1 1 11 11 GLY C C 16 176.067 176.067 173.491 2.576 17668 2343 1 7 . 1 1 11 11 GLY CA C 16 45.256 45.256 44.993 0.263 17668 2344 1 7 . 1 1 11 11 GLY H H 16 8.284 8.284 8.279 0.005 17668 2345 1 7 . 1 1 12 12 MET N N 17 118.633 118.633 124.032 -5.399 17668 2346 1 7 . 1 1 12 12 MET C C 17 177.102 177.102 173.949 3.153 17668 2347 1 7 . 1 1 12 12 MET CA C 17 57.740 57.740 55.586 2.154 17668 2348 1 7 . 1 1 12 12 MET CB C 17 34.243 34.243 32.057 2.186 17668 2349 1 7 . 1 1 12 12 MET H H 17 8.509 8.509 7.769 0.740 17668 2350 1 7 . 1 1 13 13 ARG N N 18 126.836 126.836 121.063 5.773 17668 2351 1 7 . 1 1 13 13 ARG C C 18 175.032 175.032 175.128 -0.096 17668 2352 1 7 . 1 1 13 13 ARG CA C 18 57.239 57.239 55.286 1.953 17668 2353 1 7 . 1 1 13 13 ARG CB C 18 32.744 32.744 30.588 2.156 17668 2354 1 7 . 1 1 13 13 ARG H H 18 10.782 10.782 8.177 2.605 17668 2355 1 7 . 1 1 14 14 CYS N N 19 114.805 114.805 121.429 -6.624 17668 2356 1 7 . 1 1 14 14 CYS CA C 19 56.217 56.217 59.865 -3.648 17668 2357 1 7 . 1 1 14 14 CYS CB C 19 30.413 30.413 28.069 2.344 17668 2358 1 7 . 1 1 14 14 CYS H H 19 8.425 8.425 8.561 -0.136 17668 2359 1 7 . 1 1 15 15 ALA CA C 20 51.257 51.257 52.854 -1.597 17668 2360 1 7 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.601 0.646 17668 2361 1 7 . 1 1 16 16 ALA N N 21 118.906 118.906 121.208 -2.302 17668 2362 1 7 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.289 -0.142 17668 2363 1 7 . 1 1 16 16 ALA C C 21 180.553 180.553 179.295 1.258 17668 2364 1 7 . 1 1 16 16 ALA CA C 21 54.756 54.756 53.354 1.402 17668 2365 1 7 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.989 -0.756 17668 2366 1 7 . 1 1 17 17 CYS N N 22 121.914 121.914 117.779 4.135 17668 2367 1 7 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.181 -0.360 17668 2368 1 7 . 1 1 17 17 CYS C C 22 177.966 177.966 176.831 1.135 17668 2369 1 7 . 1 1 17 17 CYS CA C 22 64.748 64.748 61.544 3.204 17668 2370 1 7 . 1 1 17 17 CYS CB C 22 29.245 29.245 25.902 3.343 17668 2371 1 7 . 1 1 17 17 CYS H H 22 7.640 7.640 8.606 -0.966 17668 2372 1 7 . 1 1 18 18 ALA N N 23 119.180 119.180 123.442 -4.262 17668 2373 1 7 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.993 -0.390 17668 2374 1 7 . 1 1 18 18 ALA C C 23 179.173 179.173 178.839 0.334 17668 2375 1 7 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.683 0.575 17668 2376 1 7 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.150 0.591 17668 2377 1 7 . 1 1 18 18 ALA H H 23 6.629 6.629 8.626 -1.997 17668 2378 1 7 . 1 1 19 19 SER N N 24 112.618 112.618 114.481 -1.863 17668 2379 1 7 . 1 1 19 19 SER HA H 24 4.147 4.147 4.146 0.001 17668 2380 1 7 . 1 1 19 19 SER C C 24 176.764 176.764 176.584 0.180 17668 2381 1 7 . 1 1 19 19 SER CA C 24 61.259 61.259 62.047 -0.788 17668 2382 1 7 . 1 1 19 19 SER CB C 24 62.754 62.754 62.931 -0.177 17668 2383 1 7 . 1 1 19 19 SER H H 24 7.752 7.752 8.428 -0.676 17668 2384 1 7 . 1 1 20 20 SER N N 25 116.992 116.992 117.657 -0.665 17668 2385 1 7 . 1 1 20 20 SER HA H 25 3.521 3.521 4.379 -0.858 17668 2386 1 7 . 1 1 20 20 SER C C 25 177.448 177.448 175.631 1.817 17668 2387 1 7 . 1 1 20 20 SER CA C 25 61.870 61.870 61.139 0.730 17668 2388 1 7 . 1 1 20 20 SER CB C 25 62.751 62.751 63.058 -0.307 17668 2389 1 7 . 1 1 20 20 SER H H 25 7.989 7.989 7.982 0.007 17668 2390 1 7 . 1 1 21 21 ILE N N 26 122.461 122.461 123.519 -1.058 17668 2391 1 7 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.847 -0.517 17668 2392 1 7 . 1 1 21 21 ILE C C 26 176.930 176.930 177.343 -0.413 17668 2393 1 7 . 1 1 21 21 ILE CA C 26 66.255 66.255 64.894 1.361 17668 2394 1 7 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.256 -0.019 17668 2395 1 7 . 1 1 21 21 ILE H H 26 7.583 7.583 7.805 -0.222 17668 2396 1 7 . 1 1 22 22 GLU N N 27 116.992 116.992 120.200 -3.208 17668 2397 1 7 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.907 -0.441 17668 2398 1 7 . 1 1 22 22 GLU C C 27 178.916 178.916 179.326 -0.410 17668 2399 1 7 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.747 1.006 17668 2400 1 7 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.504 0.203 17668 2401 1 7 . 1 1 22 22 GLU H H 27 8.004 8.004 8.421 -0.417 17668 2402 1 7 . 1 1 23 23 ARG N N 28 114.805 114.805 118.263 -3.458 17668 2403 1 7 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.130 -0.174 17668 2404 1 7 . 1 1 23 23 ARG C C 28 179.517 179.517 176.975 2.542 17668 2405 1 7 . 1 1 23 23 ARG CA C 28 58.752 58.752 57.754 0.998 17668 2406 1 7 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.037 0.709 17668 2407 1 7 . 1 1 23 23 ARG H H 28 8.256 8.256 8.401 -0.145 17668 2408 1 7 . 1 1 24 24 ALA N N 29 118.633 118.633 120.317 -1.684 17668 2409 1 7 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.280 -0.323 17668 2410 1 7 . 1 1 24 24 ALA C C 29 181.073 181.073 179.926 1.147 17668 2411 1 7 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.959 0.790 17668 2412 1 7 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.733 -0.003 17668 2413 1 7 . 1 1 24 24 ALA H H 29 7.555 7.555 7.437 0.118 17668 2414 1 7 . 1 1 25 25 LEU N N 30 115.899 115.899 120.727 -4.828 17668 2415 1 7 . 1 1 25 25 LEU HA H 30 3.984 3.984 3.978 0.006 17668 2416 1 7 . 1 1 25 25 LEU C C 30 178.658 178.658 178.998 -0.340 17668 2417 1 7 . 1 1 25 25 LEU CA C 30 57.221 57.221 58.119 -0.898 17668 2418 1 7 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.419 -0.171 17668 2419 1 7 . 1 1 25 25 LEU H H 30 7.976 7.976 8.595 -0.619 17668 2420 1 7 . 1 1 26 26 GLU N N 31 115.899 115.899 114.401 1.498 17668 2421 1 7 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.156 -0.418 17668 2422 1 7 . 1 1 26 26 GLU C C 31 177.793 177.793 178.102 -0.309 17668 2423 1 7 . 1 1 26 26 GLU CA C 31 58.727 58.727 58.387 0.340 17668 2424 1 7 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.165 0.076 17668 2425 1 7 . 1 1 26 26 GLU H H 31 8.116 8.116 8.253 -0.137 17668 2426 1 7 . 1 1 27 27 ARG N N 32 114.258 114.258 117.814 -3.556 17668 2427 1 7 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.429 -0.282 17668 2428 1 7 . 1 1 27 27 ARG C C 32 176.757 176.757 177.375 -0.618 17668 2429 1 7 . 1 1 27 27 ARG CA C 32 56.250 56.250 56.329 -0.079 17668 2430 1 7 . 1 1 27 27 ARG CB C 32 30.744 30.744 30.831 -0.087 17668 2431 1 7 . 1 1 27 27 ARG H H 32 6.854 6.854 8.139 -1.285 17668 2432 1 7 . 1 1 28 28 LEU N N 33 123.008 123.008 119.535 3.473 17668 2433 1 7 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.146 0.056 17668 2434 1 7 . 1 1 28 28 LEU C C 33 176.412 176.412 176.798 -0.386 17668 2435 1 7 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.586 -1.337 17668 2436 1 7 . 1 1 28 28 LEU CB C 33 41.739 41.739 41.926 -0.187 17668 2437 1 7 . 1 1 28 28 LEU H H 33 7.501 7.501 7.474 0.027 17668 2438 1 7 . 1 1 29 29 LYS N N 34 127.383 127.383 116.569 10.814 17668 2439 1 7 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.082 -0.208 17668 2440 1 7 . 1 1 29 29 LYS C C 34 176.412 176.412 177.561 -1.149 17668 2441 1 7 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.577 1.665 17668 2442 1 7 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.295 -0.549 17668 2443 1 7 . 1 1 29 29 LYS H H 34 8.341 8.341 7.793 0.548 17668 2444 1 7 . 1 1 30 30 GLY N N 35 111.524 111.524 108.868 2.656 17668 2445 1 7 . 1 1 30 30 GLY C C 35 175.715 175.715 174.837 0.878 17668 2446 1 7 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.997 -0.509 17668 2447 1 7 . 1 1 30 30 GLY H H 35 8.509 8.509 8.707 -0.198 17668 2448 1 7 . 1 1 31 31 VAL N N 36 122.461 122.461 118.343 4.118 17668 2449 1 7 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.425 -0.551 17668 2450 1 7 . 1 1 31 31 VAL C C 36 175.032 175.032 174.652 0.380 17668 2451 1 7 . 1 1 31 31 VAL CA C 36 63.757 63.757 61.873 1.884 17668 2452 1 7 . 1 1 31 31 VAL CB C 36 31.250 31.250 32.200 -0.950 17668 2453 1 7 . 1 1 31 31 VAL H H 36 7.892 7.892 7.646 0.246 17668 2454 1 7 . 1 1 32 32 ALA N N 37 131.758 131.758 126.564 5.194 17668 2455 1 7 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.751 -0.386 17668 2456 1 7 . 1 1 32 32 ALA C C 37 177.619 177.619 176.817 0.802 17668 2457 1 7 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.042 1.204 17668 2458 1 7 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.742 -1.020 17668 2459 1 7 . 1 1 32 32 ALA H H 37 9.042 9.042 8.921 0.121 17668 2460 1 7 . 1 1 33 33 GLU N N 38 114.258 114.258 117.738 -3.480 17668 2461 1 7 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.569 -0.068 17668 2462 1 7 . 1 1 33 33 GLU C C 38 173.651 173.651 173.858 -0.207 17668 2463 1 7 . 1 1 33 33 GLU CA C 38 55.577 55.577 55.995 -0.418 17668 2464 1 7 . 1 1 33 33 GLU CB C 38 33.666 33.666 33.901 -0.235 17668 2465 1 7 . 1 1 33 33 GLU H H 38 7.555 7.555 7.742 -0.187 17668 2466 1 7 . 1 1 34 34 ALA N N 39 125.742 125.742 124.119 1.623 17668 2467 1 7 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.069 0.032 17668 2468 1 7 . 1 1 34 34 ALA C C 39 175.033 175.033 175.872 -0.839 17668 2469 1 7 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.562 -0.282 17668 2470 1 7 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.383 0.854 17668 2471 1 7 . 1 1 34 34 ALA H H 39 9.014 9.014 8.347 0.667 17668 2472 1 7 . 1 1 35 35 SER N N 40 113.711 113.711 117.215 -3.504 17668 2473 1 7 . 1 1 35 35 SER HA H 40 4.855 4.855 4.902 -0.047 17668 2474 1 7 . 1 1 35 35 SER C C 40 173.824 173.824 173.893 -0.069 17668 2475 1 7 . 1 1 35 35 SER CA C 40 56.254 56.254 57.383 -1.129 17668 2476 1 7 . 1 1 35 35 SER CB C 40 65.255 65.255 64.895 0.360 17668 2477 1 7 . 1 1 35 35 SER H H 40 8.481 8.481 8.617 -0.136 17668 2478 1 7 . 1 1 36 36 VAL N N 41 129.570 129.570 122.137 7.433 17668 2479 1 7 . 1 1 36 36 VAL C C 41 175.204 175.204 175.755 -0.551 17668 2480 1 7 . 1 1 36 36 VAL CA C 41 60.265 60.265 60.666 -0.401 17668 2481 1 7 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.827 0.916 17668 2482 1 7 . 1 1 36 36 VAL H H 41 10.164 10.164 8.588 1.576 17668 2483 1 7 . 1 1 37 37 THR N N 42 123.008 123.008 123.072 -0.064 17668 2484 1 7 . 1 1 37 37 THR HA H 42 4.392 4.392 4.686 -0.294 17668 2485 1 7 . 1 1 37 37 THR C C 42 175.030 175.030 173.971 1.059 17668 2486 1 7 . 1 1 37 37 THR CA C 42 60.760 60.760 61.730 -0.970 17668 2487 1 7 . 1 1 37 37 THR CB C 42 69.255 69.255 69.508 -0.253 17668 2488 1 7 . 1 1 37 37 THR H H 42 8.453 8.453 8.455 -0.002 17668 2489 1 7 . 1 1 38 38 VAL N N 43 128.476 128.476 127.724 0.752 17668 2490 1 7 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.717 -0.415 17668 2491 1 7 . 1 1 38 38 VAL C C 43 176.067 176.067 177.428 -1.361 17668 2492 1 7 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.697 -2.429 17668 2493 1 7 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.618 0.609 17668 2494 1 7 . 1 1 38 38 VAL H H 43 8.789 8.789 8.874 -0.085 17668 2495 1 7 . 1 1 39 39 ALA N N 44 119.180 119.180 122.855 -3.675 17668 2496 1 7 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.194 -0.210 17668 2497 1 7 . 1 1 39 39 ALA C C 44 179.167 179.167 178.931 0.236 17668 2498 1 7 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.517 0.708 17668 2499 1 7 . 1 1 39 39 ALA CB C 44 18.995 18.995 17.708 1.287 17668 2500 1 7 . 1 1 39 39 ALA H H 44 8.509 8.509 8.288 0.221 17668 2501 1 7 . 1 1 40 40 THR N N 45 135.586 135.586 111.979 23.607 17668 2502 1 7 . 1 1 40 40 THR HA H 45 4.338 4.338 4.282 0.056 17668 2503 1 7 . 1 1 40 40 THR C C 45 176.237 176.237 175.145 1.092 17668 2504 1 7 . 1 1 40 40 THR CA C 45 60.254 60.254 62.397 -2.143 17668 2505 1 7 . 1 1 40 40 THR CB C 45 70.261 70.261 69.089 1.172 17668 2506 1 7 . 1 1 40 40 THR H H 45 6.713 6.713 7.939 -1.226 17668 2507 1 7 . 1 1 41 41 GLY N N 46 110.977 110.977 111.059 -0.082 17668 2508 1 7 . 1 1 41 41 GLY C C 46 172.096 172.096 172.909 -0.813 17668 2509 1 7 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.746 0.479 17668 2510 1 7 . 1 1 41 41 GLY H H 46 7.835 7.835 7.717 0.118 17668 2511 1 7 . 1 1 42 42 ARG N N 47 118.086 118.086 118.380 -0.294 17668 2512 1 7 . 1 1 42 42 ARG C C 47 175.032 175.032 173.587 1.445 17668 2513 1 7 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.442 1.808 17668 2514 1 7 . 1 1 42 42 ARG CB C 47 31.739 31.739 33.441 -1.702 17668 2515 1 7 . 1 1 42 42 ARG H H 47 7.303 7.303 8.049 -0.746 17668 2516 1 7 . 1 1 43 43 LEU N N 48 129.023 129.023 119.230 9.793 17668 2517 1 7 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.240 -0.221 17668 2518 1 7 . 1 1 43 43 LEU C C 48 175.033 175.033 175.763 -0.730 17668 2519 1 7 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.443 -0.193 17668 2520 1 7 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.755 -1.674 17668 2521 1 7 . 1 1 43 43 LEU H H 48 8.986 8.986 8.341 0.645 17668 2522 1 7 . 1 1 44 44 THR N N 49 123.008 123.008 118.215 4.793 17668 2523 1 7 . 1 1 44 44 THR HA H 49 4.964 4.964 5.312 -0.348 17668 2524 1 7 . 1 1 44 44 THR C C 49 173.475 173.475 172.944 0.531 17668 2525 1 7 . 1 1 44 44 THR CA C 49 61.752 61.752 61.645 0.107 17668 2526 1 7 . 1 1 44 44 THR CB C 49 69.756 69.756 70.768 -1.012 17668 2527 1 7 . 1 1 44 44 THR H H 49 9.154 9.154 8.471 0.683 17668 2528 1 7 . 1 1 45 45 VAL N N 50 125.195 125.195 126.503 -1.308 17668 2529 1 7 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.904 0.278 17668 2530 1 7 . 1 1 45 45 VAL C C 50 172.614 172.614 173.599 -0.985 17668 2531 1 7 . 1 1 45 45 VAL CA C 50 58.762 58.762 59.626 -0.864 17668 2532 1 7 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.909 -0.457 17668 2533 1 7 . 1 1 45 45 VAL H H 50 9.071 9.071 9.290 -0.219 17668 2534 1 7 . 1 1 46 46 THR N N 51 124.648 124.648 125.177 -0.529 17668 2535 1 7 . 1 1 46 46 THR HA H 51 5.782 5.782 5.218 0.564 17668 2536 1 7 . 1 1 46 46 THR C C 51 174.684 174.684 173.775 0.909 17668 2537 1 7 . 1 1 46 46 THR CA C 51 61.248 61.248 61.225 0.023 17668 2538 1 7 . 1 1 46 46 THR CB C 51 70.265 70.265 69.358 0.907 17668 2539 1 7 . 1 1 46 46 THR H H 51 8.930 8.930 9.047 -0.117 17668 2540 1 7 . 1 1 47 47 TYR N N 52 124.648 124.648 122.551 2.097 17668 2541 1 7 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.235 0.056 17668 2542 1 7 . 1 1 47 47 TYR C C 52 171.408 171.408 172.911 -1.503 17668 2543 1 7 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.941 -0.696 17668 2544 1 7 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.087 0.667 17668 2545 1 7 . 1 1 47 47 TYR H H 52 9.603 9.603 8.835 0.768 17668 2546 1 7 . 1 1 48 48 ASP N N 53 119.180 119.180 121.938 -2.758 17668 2547 1 7 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.361 -0.396 17668 2548 1 7 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.517 -0.509 17668 2549 1 7 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.628 -2.070 17668 2550 1 7 . 1 1 48 48 ASP H H 53 8.481 8.481 8.432 0.049 17668 2551 1 7 . 1 1 49 49 PRO HA H 54 5.373 5.373 5.016 0.357 17668 2552 1 7 . 1 1 49 49 PRO C C 54 178.311 178.311 176.698 1.613 17668 2553 1 7 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.961 -0.697 17668 2554 1 7 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.865 0.378 17668 2555 1 7 . 1 1 50 50 LYS N N 55 116.992 116.992 117.252 -0.260 17668 2556 1 7 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.486 -0.366 17668 2557 1 7 . 1 1 50 50 LYS C C 55 177.802 177.802 177.613 0.189 17668 2558 1 7 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.693 1.033 17668 2559 1 7 . 1 1 50 50 LYS CB C 55 31.865 31.865 34.426 -2.561 17668 2560 1 7 . 1 1 50 50 LYS H H 55 8.284 8.284 8.125 0.159 17668 2561 1 7 . 1 1 51 51 GLN N N 56 115.352 115.352 118.753 -3.401 17668 2562 1 7 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.205 0.106 17668 2563 1 7 . 1 1 51 51 GLN C C 56 175.031 175.031 176.653 -1.622 17668 2564 1 7 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.715 -1.958 17668 2565 1 7 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.147 3.605 17668 2566 1 7 . 1 1 51 51 GLN H H 56 7.864 7.864 8.794 -0.930 17668 2567 1 7 . 1 1 52 52 VAL N N 57 120.273 120.273 110.759 9.514 17668 2568 1 7 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.395 -0.002 17668 2569 1 7 . 1 1 52 52 VAL C C 57 170.718 170.718 173.855 -3.137 17668 2570 1 7 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.882 -0.110 17668 2571 1 7 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.364 -0.136 17668 2572 1 7 . 1 1 52 52 VAL H H 57 8.172 8.172 8.009 0.163 17668 2573 1 7 . 1 1 53 53 SER N N 58 116.992 116.992 113.895 3.097 17668 2574 1 7 . 1 1 53 53 SER C C 58 175.377 175.377 174.642 0.735 17668 2575 1 7 . 1 1 53 53 SER CA C 58 55.251 55.251 57.572 -2.321 17668 2576 1 7 . 1 1 53 53 SER CB C 58 66.750 66.750 64.365 2.385 17668 2577 1 7 . 1 1 53 53 SER H H 58 7.611 7.611 7.834 -0.223 17668 2578 1 7 . 1 1 54 54 GLU N N 59 120.820 120.820 120.950 -0.130 17668 2579 1 7 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.836 -0.478 17668 2580 1 7 . 1 1 54 54 GLU C C 59 178.308 178.308 177.758 0.550 17668 2581 1 7 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.471 1.272 17668 2582 1 7 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.925 0.315 17668 2583 1 7 . 1 1 54 54 GLU H H 59 8.930 8.930 8.614 0.316 17668 2584 1 7 . 1 1 55 55 ILE N N 60 118.086 118.086 120.277 -2.191 17668 2585 1 7 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.744 -0.006 17668 2586 1 7 . 1 1 55 55 ILE C C 60 177.448 177.448 178.240 -0.792 17668 2587 1 7 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.003 -0.254 17668 2588 1 7 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.732 0.783 17668 2589 1 7 . 1 1 55 55 ILE H H 60 7.583 7.583 7.696 -0.113 17668 2590 1 7 . 1 1 56 56 THR N N 61 119.727 119.727 114.798 4.929 17668 2591 1 7 . 1 1 56 56 THR HA H 61 3.766 3.766 4.026 -0.260 17668 2592 1 7 . 1 1 56 56 THR C C 61 177.104 177.104 176.474 0.630 17668 2593 1 7 . 1 1 56 56 THR CA C 61 66.264 66.264 66.813 -0.549 17668 2594 1 7 . 1 1 56 56 THR CB C 61 68.245 68.245 68.436 -0.190 17668 2595 1 7 . 1 1 56 56 THR H H 61 7.471 7.471 7.586 -0.115 17668 2596 1 7 . 1 1 57 57 ILE N N 62 121.367 121.367 120.543 0.824 17668 2597 1 7 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.977 -0.946 17668 2598 1 7 . 1 1 57 57 ILE C C 62 176.756 176.756 176.604 0.152 17668 2599 1 7 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.286 3.474 17668 2600 1 7 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.774 0.477 17668 2601 1 7 . 1 1 57 57 ILE H H 62 7.259 7.259 7.352 -0.093 17668 2602 1 7 . 1 1 58 58 GLN N N 63 117.539 117.539 121.255 -3.716 17668 2603 1 7 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.850 -0.248 17668 2604 1 7 . 1 1 58 58 GLN C C 63 179.172 179.172 178.070 1.102 17668 2605 1 7 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.906 -0.151 17668 2606 1 7 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.437 -0.703 17668 2607 1 7 . 1 1 58 58 GLN H H 63 7.976 7.976 8.627 -0.651 17668 2608 1 7 . 1 1 59 59 GLU N N 64 119.180 119.180 117.108 2.072 17668 2609 1 7 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.054 -0.180 17668 2610 1 7 . 1 1 59 59 GLU C C 64 179.866 179.866 178.465 1.401 17668 2611 1 7 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.021 0.238 17668 2612 1 7 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.232 0.468 17668 2613 1 7 . 1 1 59 59 GLU H H 64 8.622 8.622 8.183 0.439 17668 2614 1 7 . 1 1 60 60 ARG N N 65 119.727 119.727 119.117 0.610 17668 2615 1 7 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.280 -0.187 17668 2616 1 7 . 1 1 60 60 ARG C C 65 178.310 178.310 178.235 0.075 17668 2617 1 7 . 1 1 60 60 ARG CA C 65 57.256 57.256 57.344 -0.088 17668 2618 1 7 . 1 1 60 60 ARG CB C 65 28.748 28.748 30.679 -1.931 17668 2619 1 7 . 1 1 60 60 ARG H H 65 7.891 7.891 7.240 0.651 17668 2620 1 7 . 1 1 61 61 ILE N N 66 118.086 118.086 120.335 -2.249 17668 2621 1 7 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.762 -0.215 17668 2622 1 7 . 1 1 61 61 ILE C C 66 178.311 178.311 177.637 0.674 17668 2623 1 7 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.167 -0.422 17668 2624 1 7 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.863 -0.182 17668 2625 1 7 . 1 1 61 61 ILE H H 66 7.443 7.443 8.459 -1.016 17668 2626 1 7 . 1 1 62 62 ALA N N 67 121.914 121.914 121.632 0.282 17668 2627 1 7 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.321 0.208 17668 2628 1 7 . 1 1 62 62 ALA C C 67 182.626 182.626 178.712 3.914 17668 2629 1 7 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.762 -0.512 17668 2630 1 7 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.509 -0.774 17668 2631 1 7 . 1 1 62 62 ALA H H 67 8.116 8.116 8.437 -0.321 17668 2632 1 7 . 1 1 63 63 ALA N N 68 121.367 121.367 119.746 1.621 17668 2633 1 7 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.207 -0.195 17668 2634 1 7 . 1 1 63 63 ALA C C 68 179.690 179.690 179.018 0.672 17668 2635 1 7 . 1 1 63 63 ALA CA C 68 54.259 54.259 53.450 0.808 17668 2636 1 7 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.448 -0.227 17668 2637 1 7 . 1 1 63 63 ALA H H 68 7.948 7.948 7.213 0.735 17668 2638 1 7 . 1 1 64 64 LEU N N 69 116.445 116.445 117.396 -0.951 17668 2639 1 7 . 1 1 64 64 LEU HA H 69 4.147 4.147 3.847 0.300 17668 2640 1 7 . 1 1 64 64 LEU C C 69 176.931 176.931 177.140 -0.209 17668 2641 1 7 . 1 1 64 64 LEU CA C 69 55.245 55.245 55.911 -0.666 17668 2642 1 7 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.947 1.294 17668 2643 1 7 . 1 1 64 64 LEU H H 69 7.247 7.247 7.742 -0.495 17668 2644 1 7 . 1 1 65 65 GLY N N 70 103.867 103.867 101.825 2.042 17668 2645 1 7 . 1 1 65 65 GLY C C 70 173.651 173.651 174.519 -0.868 17668 2646 1 7 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.418 0.054 17668 2647 1 7 . 1 1 65 65 GLY H H 70 7.668 7.668 7.014 0.654 17668 2648 1 7 . 1 1 66 66 TYR N N 71 119.180 119.180 119.788 -0.608 17668 2649 1 7 . 1 1 66 66 TYR C C 71 174.513 174.513 175.882 -1.369 17668 2650 1 7 . 1 1 66 66 TYR CA C 71 57.020 57.020 55.317 1.703 17668 2651 1 7 . 1 1 66 66 TYR CB C 71 39.502 39.502 40.556 -1.054 17668 2652 1 7 . 1 1 66 66 TYR H H 71 6.798 6.798 7.433 -0.635 17668 2653 1 7 . 1 1 67 67 THR N N 72 109.883 109.883 111.954 -2.071 17668 2654 1 7 . 1 1 67 67 THR C C 72 173.998 173.998 173.292 0.706 17668 2655 1 7 . 1 1 67 67 THR CA C 72 60.249 60.249 61.145 -0.896 17668 2656 1 7 . 1 1 67 67 THR CB C 72 71.254 71.254 70.992 0.262 17668 2657 1 7 . 1 1 67 67 THR H H 72 8.144 8.144 8.745 -0.601 17668 2658 1 7 . 1 1 68 68 LEU N N 73 122.461 122.461 115.994 6.467 17668 2659 1 7 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.038 0.008 17668 2660 1 7 . 1 1 68 68 LEU C C 73 174.168 174.168 174.590 -0.422 17668 2661 1 7 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.962 -0.710 17668 2662 1 7 . 1 1 68 68 LEU CB C 73 43.743 43.743 45.825 -2.082 17668 2663 1 7 . 1 1 68 68 LEU H H 73 8.397 8.397 8.557 -0.160 17668 2664 1 7 . 1 1 69 69 ALA N N 74 125.195 125.195 120.506 4.689 17668 2665 1 7 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.747 -0.409 17668 2666 1 7 . 1 1 69 69 ALA C C 74 176.931 176.931 175.135 1.796 17668 2667 1 7 . 1 1 69 69 ALA CA C 74 55.254 55.254 52.097 3.157 17668 2668 1 7 . 1 1 69 69 ALA CB C 74 18.225 18.225 22.288 -4.062 17668 2669 1 7 . 1 1 69 69 ALA H H 74 8.200 8.200 8.570 -0.370 17668 2670 1 7 . 1 1 70 70 GLU N N 75 120.820 120.820 122.688 -1.868 17668 2671 1 7 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.866 -0.392 17668 2672 1 7 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.697 1.761 17668 2673 1 7 . 1 1 70 70 GLU CB C 75 29.591 29.591 31.446 -1.855 17668 2674 1 7 . 1 1 70 70 GLU H H 75 8.397 8.397 8.783 -0.386 17668 2675 1 8 . 1 1 2 2 LEU N N 7 119.727 119.727 119.590 0.137 17668 2676 1 8 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.669 -0.331 17668 2677 1 8 . 1 1 2 2 LEU C C 7 176.410 176.410 175.084 1.326 17668 2678 1 8 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.628 -0.618 17668 2679 1 8 . 1 1 2 2 LEU CB C 7 43.226 43.226 44.144 -0.918 17668 2680 1 8 . 1 1 2 2 LEU H H 7 7.919 7.919 7.895 0.024 17668 2681 1 8 . 1 1 3 3 LYS N N 8 123.008 123.008 121.529 1.479 17668 2682 1 8 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.351 0.014 17668 2683 1 8 . 1 1 3 3 LYS C C 8 174.512 174.512 175.901 -1.389 17668 2684 1 8 . 1 1 3 3 LYS CA C 8 54.741 54.741 56.237 -1.496 17668 2685 1 8 . 1 1 3 3 LYS CB C 8 35.723 35.723 33.035 2.688 17668 2686 1 8 . 1 1 3 3 LYS H H 8 8.650 8.650 8.543 0.107 17668 2687 1 8 . 1 1 4 4 THR N N 9 120.273 120.273 117.215 3.058 17668 2688 1 8 . 1 1 4 4 THR HA H 9 5.372 5.372 4.756 0.616 17668 2689 1 8 . 1 1 4 4 THR C C 9 174.170 174.170 173.839 0.331 17668 2690 1 8 . 1 1 4 4 THR CA C 9 61.756 61.756 60.600 1.156 17668 2691 1 8 . 1 1 4 4 THR CB C 9 70.757 70.757 69.982 0.775 17668 2692 1 8 . 1 1 4 4 THR H H 9 8.481 8.481 8.225 0.256 17668 2693 1 8 . 1 1 5 5 GLN N N 10 126.836 126.836 120.735 6.101 17668 2694 1 8 . 1 1 5 5 GLN C C 10 173.651 173.651 173.182 0.469 17668 2695 1 8 . 1 1 5 5 GLN CA C 10 54.236 54.236 54.920 -0.684 17668 2696 1 8 . 1 1 5 5 GLN CB C 10 34.484 34.484 30.696 3.788 17668 2697 1 8 . 1 1 5 5 GLN H H 10 9.295 9.295 8.424 0.871 17668 2698 1 8 . 1 1 6 6 GLN N N 11 121.367 121.367 123.194 -1.827 17668 2699 1 8 . 1 1 6 6 GLN HA H 11 5.646 5.646 4.780 0.866 17668 2700 1 8 . 1 1 6 6 GLN C C 11 176.069 176.069 174.916 1.153 17668 2701 1 8 . 1 1 6 6 GLN CA C 11 53.760 53.760 55.728 -1.968 17668 2702 1 8 . 1 1 6 6 GLN CB C 11 31.237 31.237 30.253 0.984 17668 2703 1 8 . 1 1 6 6 GLN H H 11 8.425 8.425 8.642 -0.217 17668 2704 1 8 . 1 1 7 7 MET N N 12 120.273 120.273 125.879 -5.606 17668 2705 1 8 . 1 1 7 7 MET C C 12 173.824 173.824 174.040 -0.216 17668 2706 1 8 . 1 1 7 7 MET CA C 12 54.598 54.598 54.579 0.019 17668 2707 1 8 . 1 1 7 7 MET CB C 12 37.258 37.258 36.966 0.292 17668 2708 1 8 . 1 1 7 7 MET H H 12 9.294 9.294 8.876 0.418 17668 2709 1 8 . 1 1 8 8 GLN N N 13 122.461 122.461 121.872 0.589 17668 2710 1 8 . 1 1 8 8 GLN C C 13 174.863 174.863 174.184 0.679 17668 2711 1 8 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.738 0.015 17668 2712 1 8 . 1 1 8 8 GLN CB C 13 30.243 30.243 32.548 -2.305 17668 2713 1 8 . 1 1 8 8 GLN H H 13 8.790 8.790 8.909 -0.119 17668 2714 1 8 . 1 1 9 9 VAL N N 14 126.289 126.289 118.987 7.302 17668 2715 1 8 . 1 1 9 9 VAL C C 14 176.586 176.586 174.993 1.593 17668 2716 1 8 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.524 0.731 17668 2717 1 8 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.475 -2.008 17668 2718 1 8 . 1 1 9 9 VAL H H 14 8.930 8.930 8.683 0.247 17668 2719 1 8 . 1 1 10 10 GLY N N 15 117.539 117.539 115.314 2.225 17668 2720 1 8 . 1 1 10 10 GLY C C 15 173.997 173.997 174.361 -0.364 17668 2721 1 8 . 1 1 10 10 GLY CA C 15 44.245 44.245 45.281 -1.036 17668 2722 1 8 . 1 1 10 10 GLY H H 15 9.351 9.351 8.846 0.505 17668 2723 1 8 . 1 1 11 11 GLY N N 16 107.149 107.149 110.577 -3.428 17668 2724 1 8 . 1 1 11 11 GLY C C 16 176.067 176.067 175.105 0.962 17668 2725 1 8 . 1 1 11 11 GLY CA C 16 45.256 45.256 44.960 0.296 17668 2726 1 8 . 1 1 11 11 GLY H H 16 8.284 8.284 8.180 0.104 17668 2727 1 8 . 1 1 12 12 MET N N 17 118.633 118.633 119.146 -0.513 17668 2728 1 8 . 1 1 12 12 MET C C 17 177.102 177.102 176.748 0.354 17668 2729 1 8 . 1 1 12 12 MET CA C 17 57.740 57.740 57.522 0.218 17668 2730 1 8 . 1 1 12 12 MET CB C 17 34.243 34.243 32.165 2.078 17668 2731 1 8 . 1 1 12 12 MET H H 17 8.509 8.509 7.926 0.583 17668 2732 1 8 . 1 1 13 13 ARG N N 18 126.836 126.836 117.101 9.735 17668 2733 1 8 . 1 1 13 13 ARG C C 18 175.032 175.032 176.868 -1.836 17668 2734 1 8 . 1 1 13 13 ARG CA C 18 57.239 57.239 57.495 -0.256 17668 2735 1 8 . 1 1 13 13 ARG CB C 18 32.744 32.744 29.096 3.648 17668 2736 1 8 . 1 1 13 13 ARG H H 18 10.782 10.782 7.994 2.788 17668 2737 1 8 . 1 1 14 14 CYS N N 19 114.805 114.805 117.640 -2.835 17668 2738 1 8 . 1 1 14 14 CYS CA C 19 56.217 56.217 61.944 -5.728 17668 2739 1 8 . 1 1 14 14 CYS CB C 19 30.413 30.413 27.783 2.630 17668 2740 1 8 . 1 1 14 14 CYS H H 19 8.425 8.425 7.851 0.574 17668 2741 1 8 . 1 1 15 15 ALA CA C 20 51.257 51.257 51.607 -0.350 17668 2742 1 8 . 1 1 15 15 ALA CB C 20 19.247 19.247 19.930 -0.683 17668 2743 1 8 . 1 1 16 16 ALA N N 21 118.906 118.906 121.026 -2.120 17668 2744 1 8 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.256 -0.109 17668 2745 1 8 . 1 1 16 16 ALA C C 21 180.553 180.553 179.013 1.540 17668 2746 1 8 . 1 1 16 16 ALA CA C 21 54.756 54.756 52.965 1.792 17668 2747 1 8 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.145 0.088 17668 2748 1 8 . 1 1 17 17 CYS N N 22 121.914 121.914 117.222 4.692 17668 2749 1 8 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.126 -0.305 17668 2750 1 8 . 1 1 17 17 CYS C C 22 177.966 177.966 176.171 1.795 17668 2751 1 8 . 1 1 17 17 CYS CA C 22 64.748 64.748 61.402 3.346 17668 2752 1 8 . 1 1 17 17 CYS CB C 22 29.245 29.245 25.807 3.438 17668 2753 1 8 . 1 1 17 17 CYS H H 22 7.640 7.640 8.537 -0.897 17668 2754 1 8 . 1 1 18 18 ALA N N 23 119.180 119.180 123.114 -3.934 17668 2755 1 8 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.911 -0.308 17668 2756 1 8 . 1 1 18 18 ALA C C 23 179.173 179.173 179.369 -0.196 17668 2757 1 8 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.672 0.586 17668 2758 1 8 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.026 0.715 17668 2759 1 8 . 1 1 18 18 ALA H H 23 6.629 6.629 8.418 -1.789 17668 2760 1 8 . 1 1 19 19 SER N N 24 112.618 112.618 113.844 -1.226 17668 2761 1 8 . 1 1 19 19 SER HA H 24 4.147 4.147 4.141 0.006 17668 2762 1 8 . 1 1 19 19 SER C C 24 176.764 176.764 176.530 0.234 17668 2763 1 8 . 1 1 19 19 SER CA C 24 61.259 61.259 61.536 -0.277 17668 2764 1 8 . 1 1 19 19 SER CB C 24 62.754 62.754 63.012 -0.258 17668 2765 1 8 . 1 1 19 19 SER H H 24 7.752 7.752 8.372 -0.620 17668 2766 1 8 . 1 1 20 20 SER N N 25 116.992 116.992 116.772 0.220 17668 2767 1 8 . 1 1 20 20 SER HA H 25 3.521 3.521 4.356 -0.835 17668 2768 1 8 . 1 1 20 20 SER C C 25 177.448 177.448 175.055 2.393 17668 2769 1 8 . 1 1 20 20 SER CA C 25 61.870 61.870 61.054 0.816 17668 2770 1 8 . 1 1 20 20 SER CB C 25 62.751 62.751 63.006 -0.255 17668 2771 1 8 . 1 1 20 20 SER H H 25 7.989 7.989 7.755 0.234 17668 2772 1 8 . 1 1 21 21 ILE N N 26 122.461 122.461 121.777 0.684 17668 2773 1 8 . 1 1 21 21 ILE HA H 26 3.330 3.330 4.046 -0.716 17668 2774 1 8 . 1 1 21 21 ILE C C 26 176.930 176.930 177.690 -0.760 17668 2775 1 8 . 1 1 21 21 ILE CA C 26 66.255 66.255 62.128 4.127 17668 2776 1 8 . 1 1 21 21 ILE CB C 26 38.237 38.237 37.629 0.608 17668 2777 1 8 . 1 1 21 21 ILE H H 26 7.583 7.583 7.320 0.263 17668 2778 1 8 . 1 1 22 22 GLU N N 27 116.992 116.992 121.266 -4.274 17668 2779 1 8 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.904 -0.438 17668 2780 1 8 . 1 1 22 22 GLU C C 27 178.916 178.916 178.858 0.058 17668 2781 1 8 . 1 1 22 22 GLU CA C 27 60.753 60.753 60.187 0.566 17668 2782 1 8 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.646 0.061 17668 2783 1 8 . 1 1 22 22 GLU H H 27 8.004 8.004 8.598 -0.594 17668 2784 1 8 . 1 1 23 23 ARG N N 28 114.805 114.805 118.531 -3.726 17668 2785 1 8 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.045 -0.089 17668 2786 1 8 . 1 1 23 23 ARG C C 28 179.517 179.517 176.975 2.542 17668 2787 1 8 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.676 0.076 17668 2788 1 8 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.331 0.415 17668 2789 1 8 . 1 1 23 23 ARG H H 28 8.256 8.256 8.242 0.014 17668 2790 1 8 . 1 1 24 24 ALA N N 29 118.633 118.633 119.689 -1.056 17668 2791 1 8 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.302 -0.345 17668 2792 1 8 . 1 1 24 24 ALA C C 29 181.073 181.073 179.075 1.998 17668 2793 1 8 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.931 0.818 17668 2794 1 8 . 1 1 24 24 ALA CB C 29 18.729 18.729 19.446 -0.717 17668 2795 1 8 . 1 1 24 24 ALA H H 29 7.555 7.555 7.355 0.200 17668 2796 1 8 . 1 1 25 25 LEU N N 30 115.899 115.899 120.815 -4.916 17668 2797 1 8 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.132 -0.148 17668 2798 1 8 . 1 1 25 25 LEU C C 30 178.658 178.658 178.488 0.170 17668 2799 1 8 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.459 -0.238 17668 2800 1 8 . 1 1 25 25 LEU CB C 30 41.248 41.248 42.120 -0.872 17668 2801 1 8 . 1 1 25 25 LEU H H 30 7.976 7.976 8.433 -0.457 17668 2802 1 8 . 1 1 26 26 GLU N N 31 115.899 115.899 116.306 -0.407 17668 2803 1 8 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.153 -0.415 17668 2804 1 8 . 1 1 26 26 GLU C C 31 177.793 177.793 177.949 -0.156 17668 2805 1 8 . 1 1 26 26 GLU CA C 31 58.727 58.727 58.119 0.608 17668 2806 1 8 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.675 -0.434 17668 2807 1 8 . 1 1 26 26 GLU H H 31 8.116 8.116 8.435 -0.319 17668 2808 1 8 . 1 1 27 27 ARG N N 32 114.258 114.258 117.040 -2.782 17668 2809 1 8 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.446 -0.299 17668 2810 1 8 . 1 1 27 27 ARG C C 32 176.757 176.757 176.837 -0.080 17668 2811 1 8 . 1 1 27 27 ARG CA C 32 56.250 56.250 56.305 -0.055 17668 2812 1 8 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.770 -1.026 17668 2813 1 8 . 1 1 27 27 ARG H H 32 6.854 6.854 7.834 -0.980 17668 2814 1 8 . 1 1 28 28 LEU N N 33 123.008 123.008 122.762 0.246 17668 2815 1 8 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.103 0.099 17668 2816 1 8 . 1 1 28 28 LEU C C 33 176.412 176.412 176.881 -0.469 17668 2817 1 8 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.685 -1.436 17668 2818 1 8 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.018 -0.279 17668 2819 1 8 . 1 1 28 28 LEU H H 33 7.501 7.501 7.769 -0.268 17668 2820 1 8 . 1 1 29 29 LYS N N 34 127.383 127.383 123.285 4.098 17668 2821 1 8 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.181 -0.307 17668 2822 1 8 . 1 1 29 29 LYS C C 34 176.412 176.412 177.981 -1.569 17668 2823 1 8 . 1 1 29 29 LYS CA C 34 58.242 58.242 57.009 1.233 17668 2824 1 8 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.870 -1.125 17668 2825 1 8 . 1 1 29 29 LYS H H 34 8.341 8.341 8.202 0.139 17668 2826 1 8 . 1 1 30 30 GLY N N 35 111.524 111.524 109.649 1.875 17668 2827 1 8 . 1 1 30 30 GLY C C 35 175.715 175.715 174.398 1.317 17668 2828 1 8 . 1 1 30 30 GLY CA C 35 45.488 45.488 46.049 -0.561 17668 2829 1 8 . 1 1 30 30 GLY H H 35 8.509 8.509 8.661 -0.152 17668 2830 1 8 . 1 1 31 31 VAL N N 36 122.461 122.461 122.072 0.389 17668 2831 1 8 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.155 -0.281 17668 2832 1 8 . 1 1 31 31 VAL C C 36 175.032 175.032 174.993 0.039 17668 2833 1 8 . 1 1 31 31 VAL CA C 36 63.757 63.757 62.536 1.221 17668 2834 1 8 . 1 1 31 31 VAL CB C 36 31.250 31.250 32.610 -1.360 17668 2835 1 8 . 1 1 31 31 VAL H H 36 7.892 7.892 7.559 0.333 17668 2836 1 8 . 1 1 32 32 ALA N N 37 131.758 131.758 130.958 0.800 17668 2837 1 8 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.643 -0.278 17668 2838 1 8 . 1 1 32 32 ALA C C 37 177.619 177.619 176.592 1.027 17668 2839 1 8 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.195 1.051 17668 2840 1 8 . 1 1 32 32 ALA CB C 37 20.722 20.722 20.590 0.132 17668 2841 1 8 . 1 1 32 32 ALA H H 37 9.042 9.042 8.710 0.332 17668 2842 1 8 . 1 1 33 33 GLU N N 38 114.258 114.258 116.872 -2.614 17668 2843 1 8 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.421 0.080 17668 2844 1 8 . 1 1 33 33 GLU C C 38 173.651 173.651 173.798 -0.147 17668 2845 1 8 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.979 -1.402 17668 2846 1 8 . 1 1 33 33 GLU CB C 38 33.666 33.666 31.991 1.675 17668 2847 1 8 . 1 1 33 33 GLU H H 38 7.555 7.555 8.040 -0.485 17668 2848 1 8 . 1 1 34 34 ALA N N 39 125.742 125.742 126.820 -1.078 17668 2849 1 8 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.050 0.051 17668 2850 1 8 . 1 1 34 34 ALA C C 39 175.033 175.033 175.323 -0.290 17668 2851 1 8 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.828 -0.548 17668 2852 1 8 . 1 1 34 34 ALA CB C 39 23.237 23.237 21.875 1.362 17668 2853 1 8 . 1 1 34 34 ALA H H 39 9.014 9.014 8.371 0.643 17668 2854 1 8 . 1 1 35 35 SER N N 40 113.711 113.711 116.083 -2.372 17668 2855 1 8 . 1 1 35 35 SER HA H 40 4.855 4.855 5.182 -0.327 17668 2856 1 8 . 1 1 35 35 SER C C 40 173.824 173.824 173.396 0.428 17668 2857 1 8 . 1 1 35 35 SER CA C 40 56.254 56.254 57.600 -1.346 17668 2858 1 8 . 1 1 35 35 SER CB C 40 65.255 65.255 66.014 -0.759 17668 2859 1 8 . 1 1 35 35 SER H H 40 8.481 8.481 8.653 -0.172 17668 2860 1 8 . 1 1 36 36 VAL N N 41 129.570 129.570 122.414 7.156 17668 2861 1 8 . 1 1 36 36 VAL C C 41 175.204 175.204 175.493 -0.289 17668 2862 1 8 . 1 1 36 36 VAL CA C 41 60.265 60.265 61.242 -0.978 17668 2863 1 8 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.489 1.254 17668 2864 1 8 . 1 1 36 36 VAL H H 41 10.164 10.164 9.330 0.834 17668 2865 1 8 . 1 1 37 37 THR N N 42 123.008 123.008 120.905 2.103 17668 2866 1 8 . 1 1 37 37 THR HA H 42 4.392 4.392 4.642 -0.250 17668 2867 1 8 . 1 1 37 37 THR C C 42 175.030 175.030 174.526 0.504 17668 2868 1 8 . 1 1 37 37 THR CA C 42 60.760 60.760 61.075 -0.315 17668 2869 1 8 . 1 1 37 37 THR CB C 42 69.255 69.255 69.174 0.081 17668 2870 1 8 . 1 1 37 37 THR H H 42 8.453 8.453 8.510 -0.057 17668 2871 1 8 . 1 1 38 38 VAL N N 43 128.476 128.476 124.627 3.849 17668 2872 1 8 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.667 -0.365 17668 2873 1 8 . 1 1 38 38 VAL C C 43 176.067 176.067 176.844 -0.777 17668 2874 1 8 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.023 -1.755 17668 2875 1 8 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.570 0.657 17668 2876 1 8 . 1 1 38 38 VAL H H 43 8.789 8.789 8.517 0.272 17668 2877 1 8 . 1 1 39 39 ALA N N 44 119.180 119.180 119.697 -0.517 17668 2878 1 8 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.228 -0.244 17668 2879 1 8 . 1 1 39 39 ALA C C 44 179.167 179.167 178.169 0.998 17668 2880 1 8 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.161 1.064 17668 2881 1 8 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.923 0.072 17668 2882 1 8 . 1 1 39 39 ALA H H 44 8.509 8.509 8.006 0.503 17668 2883 1 8 . 1 1 40 40 THR N N 45 135.586 135.586 105.874 29.712 17668 2884 1 8 . 1 1 40 40 THR HA H 45 4.338 4.338 4.398 -0.060 17668 2885 1 8 . 1 1 40 40 THR C C 45 176.237 176.237 175.096 1.141 17668 2886 1 8 . 1 1 40 40 THR CA C 45 60.254 60.254 61.411 -1.157 17668 2887 1 8 . 1 1 40 40 THR CB C 45 70.261 70.261 71.091 -0.830 17668 2888 1 8 . 1 1 40 40 THR H H 45 6.713 6.713 7.514 -0.801 17668 2889 1 8 . 1 1 41 41 GLY N N 46 110.977 110.977 111.692 -0.715 17668 2890 1 8 . 1 1 41 41 GLY C C 46 172.096 172.096 173.337 -1.241 17668 2891 1 8 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.637 0.588 17668 2892 1 8 . 1 1 41 41 GLY H H 46 7.835 7.835 8.160 -0.325 17668 2893 1 8 . 1 1 42 42 ARG N N 47 118.086 118.086 117.431 0.655 17668 2894 1 8 . 1 1 42 42 ARG C C 47 175.032 175.032 174.034 0.998 17668 2895 1 8 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.428 1.822 17668 2896 1 8 . 1 1 42 42 ARG CB C 47 31.739 31.739 34.220 -2.481 17668 2897 1 8 . 1 1 42 42 ARG H H 47 7.303 7.303 7.933 -0.630 17668 2898 1 8 . 1 1 43 43 LEU N N 48 129.023 129.023 117.811 11.212 17668 2899 1 8 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.065 -0.046 17668 2900 1 8 . 1 1 43 43 LEU C C 48 175.033 175.033 175.388 -0.355 17668 2901 1 8 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.731 -0.481 17668 2902 1 8 . 1 1 43 43 LEU CB C 48 45.081 45.081 47.284 -2.203 17668 2903 1 8 . 1 1 43 43 LEU H H 48 8.986 8.986 8.862 0.124 17668 2904 1 8 . 1 1 44 44 THR N N 49 123.008 123.008 117.326 5.682 17668 2905 1 8 . 1 1 44 44 THR HA H 49 4.964 4.964 5.273 -0.309 17668 2906 1 8 . 1 1 44 44 THR C C 49 173.475 173.475 172.508 0.967 17668 2907 1 8 . 1 1 44 44 THR CA C 49 61.752 61.752 61.682 0.070 17668 2908 1 8 . 1 1 44 44 THR CB C 49 69.756 69.756 71.443 -1.687 17668 2909 1 8 . 1 1 44 44 THR H H 49 9.154 9.154 8.332 0.822 17668 2910 1 8 . 1 1 45 45 VAL N N 50 125.195 125.195 125.275 -0.080 17668 2911 1 8 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.805 0.377 17668 2912 1 8 . 1 1 45 45 VAL C C 50 172.614 172.614 173.518 -0.904 17668 2913 1 8 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.343 -1.581 17668 2914 1 8 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.004 -0.552 17668 2915 1 8 . 1 1 45 45 VAL H H 50 9.071 9.071 9.096 -0.025 17668 2916 1 8 . 1 1 46 46 THR N N 51 124.648 124.648 125.457 -0.809 17668 2917 1 8 . 1 1 46 46 THR HA H 51 5.782 5.782 5.115 0.667 17668 2918 1 8 . 1 1 46 46 THR C C 51 174.684 174.684 173.429 1.255 17668 2919 1 8 . 1 1 46 46 THR CA C 51 61.248 61.248 61.250 -0.002 17668 2920 1 8 . 1 1 46 46 THR CB C 51 70.265 70.265 69.421 0.844 17668 2921 1 8 . 1 1 46 46 THR H H 51 8.930 8.930 9.038 -0.108 17668 2922 1 8 . 1 1 47 47 TYR N N 52 124.648 124.648 123.606 1.042 17668 2923 1 8 . 1 1 47 47 TYR HA H 52 5.291 5.291 4.982 0.309 17668 2924 1 8 . 1 1 47 47 TYR C C 52 171.408 171.408 172.822 -1.414 17668 2925 1 8 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.756 -0.511 17668 2926 1 8 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.285 0.469 17668 2927 1 8 . 1 1 47 47 TYR H H 52 9.603 9.603 8.391 1.212 17668 2928 1 8 . 1 1 48 48 ASP N N 53 119.180 119.180 121.245 -2.065 17668 2929 1 8 . 1 1 48 48 ASP HA H 53 4.965 4.965 4.991 -0.026 17668 2930 1 8 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.366 -0.357 17668 2931 1 8 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.042 -1.484 17668 2932 1 8 . 1 1 48 48 ASP H H 53 8.481 8.481 8.931 -0.450 17668 2933 1 8 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.929 0.444 17668 2934 1 8 . 1 1 49 49 PRO C C 54 178.311 178.311 176.350 1.961 17668 2935 1 8 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.975 -0.712 17668 2936 1 8 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.847 0.396 17668 2937 1 8 . 1 1 50 50 LYS N N 55 116.992 116.992 117.630 -0.638 17668 2938 1 8 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.494 -0.374 17668 2939 1 8 . 1 1 50 50 LYS C C 55 177.802 177.802 177.727 0.075 17668 2940 1 8 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.454 1.272 17668 2941 1 8 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.875 -2.010 17668 2942 1 8 . 1 1 50 50 LYS H H 55 8.284 8.284 7.894 0.390 17668 2943 1 8 . 1 1 51 51 GLN N N 56 115.352 115.352 118.809 -3.457 17668 2944 1 8 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.249 0.062 17668 2945 1 8 . 1 1 51 51 GLN C C 56 175.031 175.031 176.813 -1.782 17668 2946 1 8 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.101 -1.345 17668 2947 1 8 . 1 1 51 51 GLN CB C 56 33.752 33.752 29.964 3.788 17668 2948 1 8 . 1 1 51 51 GLN H H 56 7.864 7.864 8.661 -0.797 17668 2949 1 8 . 1 1 52 52 VAL N N 57 120.273 120.273 111.491 8.782 17668 2950 1 8 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.510 -0.117 17668 2951 1 8 . 1 1 52 52 VAL C C 57 170.718 170.718 173.778 -3.060 17668 2952 1 8 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.725 0.047 17668 2953 1 8 . 1 1 52 52 VAL CB C 57 34.228 34.228 33.777 0.451 17668 2954 1 8 . 1 1 52 52 VAL H H 57 8.172 8.172 8.169 0.003 17668 2955 1 8 . 1 1 53 53 SER N N 58 116.992 116.992 112.997 3.995 17668 2956 1 8 . 1 1 53 53 SER C C 58 175.377 175.377 174.998 0.379 17668 2957 1 8 . 1 1 53 53 SER CA C 58 55.251 55.251 57.763 -2.512 17668 2958 1 8 . 1 1 53 53 SER CB C 58 66.750 66.750 65.809 0.941 17668 2959 1 8 . 1 1 53 53 SER H H 58 7.611 7.611 8.105 -0.494 17668 2960 1 8 . 1 1 54 54 GLU N N 59 120.820 120.820 120.850 -0.030 17668 2961 1 8 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.702 -0.344 17668 2962 1 8 . 1 1 54 54 GLU C C 59 178.308 178.308 177.936 0.372 17668 2963 1 8 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.639 1.104 17668 2964 1 8 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.886 0.354 17668 2965 1 8 . 1 1 54 54 GLU H H 59 8.930 8.930 8.686 0.244 17668 2966 1 8 . 1 1 55 55 ILE N N 60 118.086 118.086 120.562 -2.476 17668 2967 1 8 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.690 0.048 17668 2968 1 8 . 1 1 55 55 ILE C C 60 177.448 177.448 178.053 -0.605 17668 2969 1 8 . 1 1 55 55 ILE CA C 60 63.749 63.749 63.842 -0.093 17668 2970 1 8 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.716 0.799 17668 2971 1 8 . 1 1 55 55 ILE H H 60 7.583 7.583 7.987 -0.404 17668 2972 1 8 . 1 1 56 56 THR N N 61 119.727 119.727 114.268 5.459 17668 2973 1 8 . 1 1 56 56 THR HA H 61 3.766 3.766 4.132 -0.366 17668 2974 1 8 . 1 1 56 56 THR C C 61 177.104 177.104 175.402 1.702 17668 2975 1 8 . 1 1 56 56 THR CA C 61 66.264 66.264 66.475 -0.211 17668 2976 1 8 . 1 1 56 56 THR CB C 61 68.245 68.245 68.722 -0.476 17668 2977 1 8 . 1 1 56 56 THR H H 61 7.471 7.471 7.606 -0.135 17668 2978 1 8 . 1 1 57 57 ILE N N 62 121.367 121.367 118.681 2.686 17668 2979 1 8 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.142 -1.111 17668 2980 1 8 . 1 1 57 57 ILE C C 62 176.756 176.756 176.669 0.087 17668 2981 1 8 . 1 1 57 57 ILE CA C 62 65.760 65.760 61.433 4.327 17668 2982 1 8 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.704 -0.453 17668 2983 1 8 . 1 1 57 57 ILE H H 62 7.259 7.259 7.357 -0.098 17668 2984 1 8 . 1 1 58 58 GLN N N 63 117.539 117.539 120.629 -3.090 17668 2985 1 8 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.869 -0.267 17668 2986 1 8 . 1 1 58 58 GLN C C 63 179.172 179.172 178.563 0.609 17668 2987 1 8 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.459 0.296 17668 2988 1 8 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.071 -0.337 17668 2989 1 8 . 1 1 58 58 GLN H H 63 7.976 7.976 8.635 -0.659 17668 2990 1 8 . 1 1 59 59 GLU N N 64 119.180 119.180 118.448 0.732 17668 2991 1 8 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.022 -0.148 17668 2992 1 8 . 1 1 59 59 GLU C C 64 179.866 179.866 178.298 1.568 17668 2993 1 8 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.082 0.177 17668 2994 1 8 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.500 0.200 17668 2995 1 8 . 1 1 59 59 GLU H H 64 8.622 8.622 8.328 0.294 17668 2996 1 8 . 1 1 60 60 ARG N N 65 119.727 119.727 118.820 0.907 17668 2997 1 8 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.340 -0.247 17668 2998 1 8 . 1 1 60 60 ARG C C 65 178.310 178.310 178.047 0.263 17668 2999 1 8 . 1 1 60 60 ARG CA C 65 57.256 57.256 57.448 -0.192 17668 3000 1 8 . 1 1 60 60 ARG CB C 65 28.748 28.748 30.602 -1.854 17668 3001 1 8 . 1 1 60 60 ARG H H 65 7.891 7.891 7.337 0.554 17668 3002 1 8 . 1 1 61 61 ILE N N 66 118.086 118.086 120.317 -2.231 17668 3003 1 8 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.782 -0.235 17668 3004 1 8 . 1 1 61 61 ILE C C 66 178.311 178.311 177.407 0.904 17668 3005 1 8 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.474 -0.729 17668 3006 1 8 . 1 1 61 61 ILE CB C 66 37.681 37.681 38.126 -0.445 17668 3007 1 8 . 1 1 61 61 ILE H H 66 7.443 7.443 8.469 -1.026 17668 3008 1 8 . 1 1 62 62 ALA N N 67 121.914 121.914 121.501 0.413 17668 3009 1 8 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.500 0.029 17668 3010 1 8 . 1 1 62 62 ALA C C 67 182.626 182.626 179.047 3.579 17668 3011 1 8 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.336 -0.086 17668 3012 1 8 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.684 -0.949 17668 3013 1 8 . 1 1 62 62 ALA H H 67 8.116 8.116 8.151 -0.035 17668 3014 1 8 . 1 1 63 63 ALA N N 68 121.367 121.367 120.887 0.480 17668 3015 1 8 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.237 -0.225 17668 3016 1 8 . 1 1 63 63 ALA C C 68 179.690 179.690 179.115 0.575 17668 3017 1 8 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.127 0.132 17668 3018 1 8 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.456 -0.235 17668 3019 1 8 . 1 1 63 63 ALA H H 68 7.948 7.948 7.232 0.716 17668 3020 1 8 . 1 1 64 64 LEU N N 69 116.445 116.445 117.471 -1.026 17668 3021 1 8 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.199 -0.052 17668 3022 1 8 . 1 1 64 64 LEU C C 69 176.931 176.931 177.926 -0.995 17668 3023 1 8 . 1 1 64 64 LEU CA C 69 55.245 55.245 55.720 -0.475 17668 3024 1 8 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.583 1.658 17668 3025 1 8 . 1 1 64 64 LEU H H 69 7.247 7.247 7.865 -0.618 17668 3026 1 8 . 1 1 65 65 GLY N N 70 103.867 103.867 104.744 -0.877 17668 3027 1 8 . 1 1 65 65 GLY C C 70 173.651 173.651 174.643 -0.992 17668 3028 1 8 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.831 -0.359 17668 3029 1 8 . 1 1 65 65 GLY H H 70 7.668 7.668 7.716 -0.048 17668 3030 1 8 . 1 1 66 66 TYR N N 71 119.180 119.180 120.482 -1.302 17668 3031 1 8 . 1 1 66 66 TYR C C 71 174.513 174.513 174.821 -0.308 17668 3032 1 8 . 1 1 66 66 TYR CA C 71 57.020 57.020 57.064 -0.044 17668 3033 1 8 . 1 1 66 66 TYR CB C 71 39.502 39.502 39.725 -0.223 17668 3034 1 8 . 1 1 66 66 TYR H H 71 6.798 6.798 7.718 -0.920 17668 3035 1 8 . 1 1 67 67 THR N N 72 109.883 109.883 113.989 -4.106 17668 3036 1 8 . 1 1 67 67 THR C C 72 173.998 173.998 173.460 0.538 17668 3037 1 8 . 1 1 67 67 THR CA C 72 60.249 60.249 61.909 -1.660 17668 3038 1 8 . 1 1 67 67 THR CB C 72 71.254 71.254 70.258 0.996 17668 3039 1 8 . 1 1 67 67 THR H H 72 8.144 8.144 8.330 -0.186 17668 3040 1 8 . 1 1 68 68 LEU N N 73 122.461 122.461 124.039 -1.578 17668 3041 1 8 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.012 0.034 17668 3042 1 8 . 1 1 68 68 LEU C C 73 174.168 174.168 175.707 -1.539 17668 3043 1 8 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.847 -0.596 17668 3044 1 8 . 1 1 68 68 LEU CB C 73 43.743 43.743 43.177 0.566 17668 3045 1 8 . 1 1 68 68 LEU H H 73 8.397 8.397 8.651 -0.254 17668 3046 1 8 . 1 1 69 69 ALA N N 74 125.195 125.195 121.811 3.384 17668 3047 1 8 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.585 -0.247 17668 3048 1 8 . 1 1 69 69 ALA C C 74 176.931 176.931 175.093 1.838 17668 3049 1 8 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.426 3.828 17668 3050 1 8 . 1 1 69 69 ALA CB C 74 18.225 18.225 22.524 -4.299 17668 3051 1 8 . 1 1 69 69 ALA H H 74 8.200 8.200 8.631 -0.431 17668 3052 1 8 . 1 1 70 70 GLU N N 75 120.820 120.820 122.454 -1.634 17668 3053 1 8 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.663 -0.189 17668 3054 1 8 . 1 1 70 70 GLU CA C 75 54.458 54.458 53.155 1.303 17668 3055 1 8 . 1 1 70 70 GLU CB C 75 29.591 29.591 32.694 -3.103 17668 3056 1 8 . 1 1 70 70 GLU H H 75 8.397 8.397 8.631 -0.234 17668 3057 1 9 . 1 1 2 2 LEU N N 7 119.727 119.727 123.615 -3.888 17668 3058 1 9 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.288 0.050 17668 3059 1 9 . 1 1 2 2 LEU C C 7 176.410 176.410 176.802 -0.392 17668 3060 1 9 . 1 1 2 2 LEU CA C 7 54.010 54.010 55.072 -1.062 17668 3061 1 9 . 1 1 2 2 LEU CB C 7 43.226 43.226 42.911 0.315 17668 3062 1 9 . 1 1 2 2 LEU H H 7 7.919 7.919 8.479 -0.560 17668 3063 1 9 . 1 1 3 3 LYS N N 8 123.008 123.008 125.479 -2.471 17668 3064 1 9 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.460 -0.095 17668 3065 1 9 . 1 1 3 3 LYS C C 8 174.512 174.512 175.180 -0.668 17668 3066 1 9 . 1 1 3 3 LYS CA C 8 54.741 54.741 55.011 -0.270 17668 3067 1 9 . 1 1 3 3 LYS CB C 8 35.723 35.723 34.416 1.307 17668 3068 1 9 . 1 1 3 3 LYS H H 8 8.650 8.650 8.042 0.608 17668 3069 1 9 . 1 1 4 4 THR N N 9 120.273 120.273 118.127 2.146 17668 3070 1 9 . 1 1 4 4 THR HA H 9 5.372 5.372 5.034 0.338 17668 3071 1 9 . 1 1 4 4 THR C C 9 174.170 174.170 173.893 0.277 17668 3072 1 9 . 1 1 4 4 THR CA C 9 61.756 61.756 61.625 0.131 17668 3073 1 9 . 1 1 4 4 THR CB C 9 70.757 70.757 70.385 0.372 17668 3074 1 9 . 1 1 4 4 THR H H 9 8.481 8.481 8.241 0.240 17668 3075 1 9 . 1 1 5 5 GLN N N 10 126.836 126.836 123.525 3.311 17668 3076 1 9 . 1 1 5 5 GLN C C 10 173.651 173.651 173.291 0.360 17668 3077 1 9 . 1 1 5 5 GLN CA C 10 54.236 54.236 54.504 -0.268 17668 3078 1 9 . 1 1 5 5 GLN CB C 10 34.484 34.484 33.153 1.331 17668 3079 1 9 . 1 1 5 5 GLN H H 10 9.295 9.295 8.578 0.717 17668 3080 1 9 . 1 1 6 6 GLN N N 11 121.367 121.367 124.458 -3.091 17668 3081 1 9 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.166 0.480 17668 3082 1 9 . 1 1 6 6 GLN C C 11 176.069 176.069 174.645 1.424 17668 3083 1 9 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.367 -0.607 17668 3084 1 9 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.549 -0.312 17668 3085 1 9 . 1 1 6 6 GLN H H 11 8.425 8.425 8.613 -0.188 17668 3086 1 9 . 1 1 7 7 MET N N 12 120.273 120.273 123.090 -2.817 17668 3087 1 9 . 1 1 7 7 MET C C 12 173.824 173.824 174.135 -0.311 17668 3088 1 9 . 1 1 7 7 MET CA C 12 54.598 54.598 53.522 1.076 17668 3089 1 9 . 1 1 7 7 MET CB C 12 37.258 37.258 36.476 0.782 17668 3090 1 9 . 1 1 7 7 MET H H 12 9.294 9.294 8.348 0.946 17668 3091 1 9 . 1 1 8 8 GLN N N 13 122.461 122.461 121.366 1.095 17668 3092 1 9 . 1 1 8 8 GLN C C 13 174.863 174.863 174.152 0.711 17668 3093 1 9 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.451 0.302 17668 3094 1 9 . 1 1 8 8 GLN CB C 13 30.243 30.243 29.813 0.430 17668 3095 1 9 . 1 1 8 8 GLN H H 13 8.790 8.790 8.707 0.083 17668 3096 1 9 . 1 1 9 9 VAL N N 14 126.289 126.289 124.398 1.891 17668 3097 1 9 . 1 1 9 9 VAL C C 14 176.586 176.586 176.015 0.571 17668 3098 1 9 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.904 0.352 17668 3099 1 9 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.283 -1.816 17668 3100 1 9 . 1 1 9 9 VAL H H 14 8.930 8.930 8.645 0.285 17668 3101 1 9 . 1 1 10 10 GLY N N 15 117.539 117.539 113.376 4.163 17668 3102 1 9 . 1 1 10 10 GLY C C 15 173.997 173.997 174.525 -0.528 17668 3103 1 9 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.544 -0.299 17668 3104 1 9 . 1 1 10 10 GLY H H 15 9.351 9.351 8.792 0.559 17668 3105 1 9 . 1 1 11 11 GLY N N 16 107.149 107.149 113.389 -6.240 17668 3106 1 9 . 1 1 11 11 GLY C C 16 176.067 176.067 174.999 1.068 17668 3107 1 9 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.988 -0.732 17668 3108 1 9 . 1 1 11 11 GLY H H 16 8.284 8.284 8.710 -0.426 17668 3109 1 9 . 1 1 12 12 MET N N 17 118.633 118.633 119.314 -0.681 17668 3110 1 9 . 1 1 12 12 MET C C 17 177.102 177.102 175.869 1.233 17668 3111 1 9 . 1 1 12 12 MET CA C 17 57.740 57.740 54.559 3.181 17668 3112 1 9 . 1 1 12 12 MET CB C 17 34.243 34.243 32.185 2.058 17668 3113 1 9 . 1 1 12 12 MET H H 17 8.509 8.509 7.933 0.576 17668 3114 1 9 . 1 1 13 13 ARG N N 18 126.836 126.836 121.171 5.665 17668 3115 1 9 . 1 1 13 13 ARG C C 18 175.032 175.032 175.610 -0.578 17668 3116 1 9 . 1 1 13 13 ARG CA C 18 57.239 57.239 57.700 -0.461 17668 3117 1 9 . 1 1 13 13 ARG CB C 18 32.744 32.744 29.957 2.787 17668 3118 1 9 . 1 1 13 13 ARG H H 18 10.782 10.782 7.955 2.827 17668 3119 1 9 . 1 1 14 14 CYS N N 19 114.805 114.805 121.011 -6.206 17668 3120 1 9 . 1 1 14 14 CYS CA C 19 56.217 56.217 59.214 -2.997 17668 3121 1 9 . 1 1 14 14 CYS CB C 19 30.413 30.413 27.967 2.446 17668 3122 1 9 . 1 1 14 14 CYS H H 19 8.425 8.425 8.126 0.299 17668 3123 1 9 . 1 1 15 15 ALA CA C 20 51.257 51.257 55.299 -4.042 17668 3124 1 9 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.986 0.261 17668 3125 1 9 . 1 1 16 16 ALA N N 21 118.906 118.906 120.103 -1.197 17668 3126 1 9 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.197 -0.050 17668 3127 1 9 . 1 1 16 16 ALA C C 21 180.553 180.553 178.905 1.648 17668 3128 1 9 . 1 1 16 16 ALA CA C 21 54.756 54.756 54.215 0.541 17668 3129 1 9 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.031 0.202 17668 3130 1 9 . 1 1 17 17 CYS N N 22 121.914 121.914 116.638 5.276 17668 3131 1 9 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.478 -0.657 17668 3132 1 9 . 1 1 17 17 CYS C C 22 177.966 177.966 177.199 0.767 17668 3133 1 9 . 1 1 17 17 CYS CA C 22 64.748 64.748 60.618 4.130 17668 3134 1 9 . 1 1 17 17 CYS CB C 22 29.245 29.245 28.914 0.331 17668 3135 1 9 . 1 1 17 17 CYS H H 22 7.640 7.640 7.533 0.107 17668 3136 1 9 . 1 1 18 18 ALA N N 23 119.180 119.180 124.191 -5.011 17668 3137 1 9 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.833 -0.230 17668 3138 1 9 . 1 1 18 18 ALA C C 23 179.173 179.173 178.678 0.495 17668 3139 1 9 . 1 1 18 18 ALA CA C 23 55.258 55.258 55.156 0.102 17668 3140 1 9 . 1 1 18 18 ALA CB C 23 18.741 18.741 17.924 0.817 17668 3141 1 9 . 1 1 18 18 ALA H H 23 6.629 6.629 8.652 -2.023 17668 3142 1 9 . 1 1 19 19 SER N N 24 112.618 112.618 113.741 -1.123 17668 3143 1 9 . 1 1 19 19 SER HA H 24 4.147 4.147 4.202 -0.055 17668 3144 1 9 . 1 1 19 19 SER C C 24 176.764 176.764 176.915 -0.151 17668 3145 1 9 . 1 1 19 19 SER CA C 24 61.259 61.259 62.044 -0.785 17668 3146 1 9 . 1 1 19 19 SER CB C 24 62.754 62.754 62.817 -0.063 17668 3147 1 9 . 1 1 19 19 SER H H 24 7.752 7.752 8.244 -0.492 17668 3148 1 9 . 1 1 20 20 SER N N 25 116.992 116.992 118.813 -1.821 17668 3149 1 9 . 1 1 20 20 SER HA H 25 3.521 3.521 4.217 -0.696 17668 3150 1 9 . 1 1 20 20 SER C C 25 177.448 177.448 175.814 1.634 17668 3151 1 9 . 1 1 20 20 SER CA C 25 61.870 61.870 61.251 0.619 17668 3152 1 9 . 1 1 20 20 SER CB C 25 62.751 62.751 63.148 -0.397 17668 3153 1 9 . 1 1 20 20 SER H H 25 7.989 7.989 7.701 0.288 17668 3154 1 9 . 1 1 21 21 ILE N N 26 122.461 122.461 122.324 0.137 17668 3155 1 9 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.955 -0.625 17668 3156 1 9 . 1 1 21 21 ILE C C 26 176.930 176.930 177.356 -0.426 17668 3157 1 9 . 1 1 21 21 ILE CA C 26 66.255 66.255 63.783 2.472 17668 3158 1 9 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.177 0.060 17668 3159 1 9 . 1 1 21 21 ILE H H 26 7.583 7.583 7.455 0.128 17668 3160 1 9 . 1 1 22 22 GLU N N 27 116.992 116.992 120.035 -3.043 17668 3161 1 9 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.962 -0.496 17668 3162 1 9 . 1 1 22 22 GLU C C 27 178.916 178.916 178.851 0.065 17668 3163 1 9 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.731 1.022 17668 3164 1 9 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.754 -0.047 17668 3165 1 9 . 1 1 22 22 GLU H H 27 8.004 8.004 8.525 -0.521 17668 3166 1 9 . 1 1 23 23 ARG N N 28 114.805 114.805 119.087 -4.282 17668 3167 1 9 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.128 -0.172 17668 3168 1 9 . 1 1 23 23 ARG C C 28 179.517 179.517 177.786 1.731 17668 3169 1 9 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.774 -0.022 17668 3170 1 9 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.262 0.484 17668 3171 1 9 . 1 1 23 23 ARG H H 28 8.256 8.256 7.964 0.292 17668 3172 1 9 . 1 1 24 24 ALA N N 29 118.633 118.633 121.308 -2.675 17668 3173 1 9 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.285 -0.328 17668 3174 1 9 . 1 1 24 24 ALA C C 29 181.073 181.073 179.005 2.068 17668 3175 1 9 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.517 1.232 17668 3176 1 9 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.987 -0.258 17668 3177 1 9 . 1 1 24 24 ALA H H 29 7.555 7.555 7.759 -0.204 17668 3178 1 9 . 1 1 25 25 LEU N N 30 115.899 115.899 120.917 -5.018 17668 3179 1 9 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.023 -0.039 17668 3180 1 9 . 1 1 25 25 LEU C C 30 178.658 178.658 178.813 -0.155 17668 3181 1 9 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.917 -0.696 17668 3182 1 9 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.983 -0.735 17668 3183 1 9 . 1 1 25 25 LEU H H 30 7.976 7.976 8.131 -0.155 17668 3184 1 9 . 1 1 26 26 GLU N N 31 115.899 115.899 114.906 0.993 17668 3185 1 9 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.173 -0.435 17668 3186 1 9 . 1 1 26 26 GLU C C 31 177.793 177.793 177.308 0.485 17668 3187 1 9 . 1 1 26 26 GLU CA C 31 58.727 58.727 58.239 0.488 17668 3188 1 9 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.387 -0.146 17668 3189 1 9 . 1 1 26 26 GLU H H 31 8.116 8.116 7.823 0.293 17668 3190 1 9 . 1 1 27 27 ARG N N 32 114.258 114.258 117.989 -3.731 17668 3191 1 9 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.448 -0.301 17668 3192 1 9 . 1 1 27 27 ARG C C 32 176.757 176.757 176.998 -0.241 17668 3193 1 9 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.007 1.243 17668 3194 1 9 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.087 -0.343 17668 3195 1 9 . 1 1 27 27 ARG H H 32 6.854 6.854 7.718 -0.864 17668 3196 1 9 . 1 1 28 28 LEU N N 33 123.008 123.008 122.933 0.075 17668 3197 1 9 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.197 0.005 17668 3198 1 9 . 1 1 28 28 LEU C C 33 176.412 176.412 176.714 -0.302 17668 3199 1 9 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.002 -0.753 17668 3200 1 9 . 1 1 28 28 LEU CB C 33 41.739 41.739 41.783 -0.044 17668 3201 1 9 . 1 1 28 28 LEU H H 33 7.501 7.501 7.525 -0.024 17668 3202 1 9 . 1 1 29 29 LYS N N 34 127.383 127.383 126.136 1.247 17668 3203 1 9 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.121 -0.247 17668 3204 1 9 . 1 1 29 29 LYS C C 34 176.412 176.412 177.338 -0.926 17668 3205 1 9 . 1 1 29 29 LYS CA C 34 58.242 58.242 57.273 0.969 17668 3206 1 9 . 1 1 29 29 LYS CB C 34 31.746 31.746 31.966 -0.220 17668 3207 1 9 . 1 1 29 29 LYS H H 34 8.341 8.341 8.568 -0.227 17668 3208 1 9 . 1 1 30 30 GLY N N 35 111.524 111.524 112.900 -1.376 17668 3209 1 9 . 1 1 30 30 GLY C C 35 175.715 175.715 173.493 2.222 17668 3210 1 9 . 1 1 30 30 GLY CA C 35 45.488 45.488 44.835 0.653 17668 3211 1 9 . 1 1 30 30 GLY H H 35 8.509 8.509 8.468 0.041 17668 3212 1 9 . 1 1 31 31 VAL N N 36 122.461 122.461 121.719 0.742 17668 3213 1 9 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.045 -0.171 17668 3214 1 9 . 1 1 31 31 VAL C C 36 175.032 175.032 174.811 0.221 17668 3215 1 9 . 1 1 31 31 VAL CA C 36 63.757 63.757 63.353 0.404 17668 3216 1 9 . 1 1 31 31 VAL CB C 36 31.250 31.250 32.205 -0.955 17668 3217 1 9 . 1 1 31 31 VAL H H 36 7.892 7.892 7.634 0.258 17668 3218 1 9 . 1 1 32 32 ALA N N 37 131.758 131.758 130.442 1.316 17668 3219 1 9 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.605 -0.240 17668 3220 1 9 . 1 1 32 32 ALA C C 37 177.619 177.619 177.021 0.598 17668 3221 1 9 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.337 0.909 17668 3222 1 9 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.370 -0.648 17668 3223 1 9 . 1 1 32 32 ALA H H 37 9.042 9.042 8.911 0.131 17668 3224 1 9 . 1 1 33 33 GLU N N 38 114.258 114.258 117.770 -3.512 17668 3225 1 9 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.508 -0.007 17668 3226 1 9 . 1 1 33 33 GLU C C 38 173.651 173.651 174.037 -0.386 17668 3227 1 9 . 1 1 33 33 GLU CA C 38 55.577 55.577 57.040 -1.463 17668 3228 1 9 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.635 1.031 17668 3229 1 9 . 1 1 33 33 GLU H H 38 7.555 7.555 7.857 -0.302 17668 3230 1 9 . 1 1 34 34 ALA N N 39 125.742 125.742 126.517 -0.775 17668 3231 1 9 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.304 -0.203 17668 3232 1 9 . 1 1 34 34 ALA C C 39 175.033 175.033 175.635 -0.602 17668 3233 1 9 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.069 0.211 17668 3234 1 9 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.562 0.675 17668 3235 1 9 . 1 1 34 34 ALA H H 39 9.014 9.014 8.425 0.589 17668 3236 1 9 . 1 1 35 35 SER N N 40 113.711 113.711 114.321 -0.610 17668 3237 1 9 . 1 1 35 35 SER HA H 40 4.855 4.855 4.801 0.054 17668 3238 1 9 . 1 1 35 35 SER C C 40 173.824 173.824 172.943 0.881 17668 3239 1 9 . 1 1 35 35 SER CA C 40 56.254 56.254 58.461 -2.207 17668 3240 1 9 . 1 1 35 35 SER CB C 40 65.255 65.255 65.354 -0.099 17668 3241 1 9 . 1 1 35 35 SER H H 40 8.481 8.481 8.559 -0.078 17668 3242 1 9 . 1 1 36 36 VAL N N 41 129.570 129.570 127.492 2.078 17668 3243 1 9 . 1 1 36 36 VAL C C 41 175.204 175.204 176.471 -1.267 17668 3244 1 9 . 1 1 36 36 VAL CA C 41 60.265 60.265 62.243 -1.978 17668 3245 1 9 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.249 1.494 17668 3246 1 9 . 1 1 36 36 VAL H H 41 10.164 10.164 9.509 0.655 17668 3247 1 9 . 1 1 37 37 THR N N 42 123.008 123.008 124.491 -1.483 17668 3248 1 9 . 1 1 37 37 THR HA H 42 4.392 4.392 4.446 -0.054 17668 3249 1 9 . 1 1 37 37 THR C C 42 175.030 175.030 175.078 -0.048 17668 3250 1 9 . 1 1 37 37 THR CA C 42 60.760 60.760 62.207 -1.447 17668 3251 1 9 . 1 1 37 37 THR CB C 42 69.255 69.255 68.506 0.749 17668 3252 1 9 . 1 1 37 37 THR H H 42 8.453 8.453 8.883 -0.430 17668 3253 1 9 . 1 1 38 38 VAL N N 43 128.476 128.476 128.187 0.289 17668 3254 1 9 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.701 -0.399 17668 3255 1 9 . 1 1 38 38 VAL C C 43 176.067 176.067 177.393 -1.326 17668 3256 1 9 . 1 1 38 38 VAL CA C 43 63.268 63.268 66.169 -2.901 17668 3257 1 9 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.371 0.856 17668 3258 1 9 . 1 1 38 38 VAL H H 43 8.789 8.789 8.814 -0.025 17668 3259 1 9 . 1 1 39 39 ALA N N 44 119.180 119.180 120.640 -1.460 17668 3260 1 9 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.169 -0.185 17668 3261 1 9 . 1 1 39 39 ALA C C 44 179.167 179.167 178.072 1.095 17668 3262 1 9 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.584 0.641 17668 3263 1 9 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.432 0.563 17668 3264 1 9 . 1 1 39 39 ALA H H 44 8.509 8.509 8.501 0.008 17668 3265 1 9 . 1 1 40 40 THR N N 45 135.586 135.586 106.918 28.668 17668 3266 1 9 . 1 1 40 40 THR HA H 45 4.338 4.338 4.422 -0.084 17668 3267 1 9 . 1 1 40 40 THR C C 45 176.237 176.237 176.026 0.211 17668 3268 1 9 . 1 1 40 40 THR CA C 45 60.254 60.254 62.059 -1.805 17668 3269 1 9 . 1 1 40 40 THR CB C 45 70.261 70.261 71.695 -1.434 17668 3270 1 9 . 1 1 40 40 THR H H 45 6.713 6.713 7.582 -0.869 17668 3271 1 9 . 1 1 41 41 GLY N N 46 110.977 110.977 111.924 -0.947 17668 3272 1 9 . 1 1 41 41 GLY C C 46 172.096 172.096 174.218 -2.122 17668 3273 1 9 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.289 0.936 17668 3274 1 9 . 1 1 41 41 GLY H H 46 7.835 7.835 8.404 -0.569 17668 3275 1 9 . 1 1 42 42 ARG N N 47 118.086 118.086 118.532 -0.446 17668 3276 1 9 . 1 1 42 42 ARG C C 47 175.032 175.032 174.708 0.324 17668 3277 1 9 . 1 1 42 42 ARG CA C 47 56.250 56.250 56.185 0.065 17668 3278 1 9 . 1 1 42 42 ARG CB C 47 31.739 31.739 31.912 -0.173 17668 3279 1 9 . 1 1 42 42 ARG H H 47 7.303 7.303 7.277 0.026 17668 3280 1 9 . 1 1 43 43 LEU N N 48 129.023 129.023 121.628 7.395 17668 3281 1 9 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.186 -0.167 17668 3282 1 9 . 1 1 43 43 LEU C C 48 175.033 175.033 176.195 -1.162 17668 3283 1 9 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.595 -0.345 17668 3284 1 9 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.548 -1.467 17668 3285 1 9 . 1 1 43 43 LEU H H 48 8.986 8.986 8.342 0.644 17668 3286 1 9 . 1 1 44 44 THR N N 49 123.008 123.008 117.561 5.447 17668 3287 1 9 . 1 1 44 44 THR HA H 49 4.964 4.964 5.283 -0.319 17668 3288 1 9 . 1 1 44 44 THR C C 49 173.475 173.475 172.570 0.905 17668 3289 1 9 . 1 1 44 44 THR CA C 49 61.752 61.752 61.976 -0.224 17668 3290 1 9 . 1 1 44 44 THR CB C 49 69.756 69.756 71.502 -1.746 17668 3291 1 9 . 1 1 44 44 THR H H 49 9.154 9.154 8.201 0.953 17668 3292 1 9 . 1 1 45 45 VAL N N 50 125.195 125.195 126.121 -0.926 17668 3293 1 9 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.795 0.387 17668 3294 1 9 . 1 1 45 45 VAL C C 50 172.614 172.614 173.514 -0.900 17668 3295 1 9 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.251 -1.489 17668 3296 1 9 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.950 -0.498 17668 3297 1 9 . 1 1 45 45 VAL H H 50 9.071 9.071 9.239 -0.168 17668 3298 1 9 . 1 1 46 46 THR N N 51 124.648 124.648 126.206 -1.558 17668 3299 1 9 . 1 1 46 46 THR HA H 51 5.782 5.782 5.224 0.557 17668 3300 1 9 . 1 1 46 46 THR C C 51 174.684 174.684 174.015 0.669 17668 3301 1 9 . 1 1 46 46 THR CA C 51 61.248 61.248 61.609 -0.361 17668 3302 1 9 . 1 1 46 46 THR CB C 51 70.265 70.265 69.631 0.634 17668 3303 1 9 . 1 1 46 46 THR H H 51 8.930 8.930 8.954 -0.024 17668 3304 1 9 . 1 1 47 47 TYR N N 52 124.648 124.648 123.002 1.646 17668 3305 1 9 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.114 0.177 17668 3306 1 9 . 1 1 47 47 TYR C C 52 171.408 171.408 172.937 -1.529 17668 3307 1 9 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.466 -0.221 17668 3308 1 9 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.153 0.601 17668 3309 1 9 . 1 1 47 47 TYR H H 52 9.603 9.603 8.872 0.731 17668 3310 1 9 . 1 1 48 48 ASP N N 53 119.180 119.180 121.799 -2.619 17668 3311 1 9 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.062 -0.097 17668 3312 1 9 . 1 1 48 48 ASP CA C 53 50.009 50.009 51.316 -1.307 17668 3313 1 9 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.580 -1.022 17668 3314 1 9 . 1 1 48 48 ASP H H 53 8.481 8.481 8.578 -0.097 17668 3315 1 9 . 1 1 49 49 PRO HA H 54 5.373 5.373 5.069 0.304 17668 3316 1 9 . 1 1 49 49 PRO C C 54 178.311 178.311 176.718 1.593 17668 3317 1 9 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.666 -0.403 17668 3318 1 9 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.793 0.451 17668 3319 1 9 . 1 1 50 50 LYS N N 55 116.992 116.992 117.736 -0.744 17668 3320 1 9 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.426 -0.306 17668 3321 1 9 . 1 1 50 50 LYS C C 55 177.802 177.802 178.031 -0.229 17668 3322 1 9 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.811 0.915 17668 3323 1 9 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.862 -1.997 17668 3324 1 9 . 1 1 50 50 LYS H H 55 8.284 8.284 8.245 0.039 17668 3325 1 9 . 1 1 51 51 GLN N N 56 115.352 115.352 118.624 -3.272 17668 3326 1 9 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.208 0.103 17668 3327 1 9 . 1 1 51 51 GLN C C 56 175.031 175.031 176.841 -1.810 17668 3328 1 9 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.217 -1.461 17668 3329 1 9 . 1 1 51 51 GLN CB C 56 33.752 33.752 29.930 3.822 17668 3330 1 9 . 1 1 51 51 GLN H H 56 7.864 7.864 8.567 -0.703 17668 3331 1 9 . 1 1 52 52 VAL N N 57 120.273 120.273 110.961 9.312 17668 3332 1 9 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.456 -0.063 17668 3333 1 9 . 1 1 52 52 VAL C C 57 170.718 170.718 173.635 -2.917 17668 3334 1 9 . 1 1 52 52 VAL CA C 57 59.772 59.772 60.108 -0.336 17668 3335 1 9 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.760 -0.532 17668 3336 1 9 . 1 1 52 52 VAL H H 57 8.172 8.172 8.250 -0.078 17668 3337 1 9 . 1 1 53 53 SER N N 58 116.992 116.992 113.295 3.697 17668 3338 1 9 . 1 1 53 53 SER C C 58 175.377 175.377 174.866 0.511 17668 3339 1 9 . 1 1 53 53 SER CA C 58 55.251 55.251 56.754 -1.503 17668 3340 1 9 . 1 1 53 53 SER CB C 58 66.750 66.750 66.150 0.600 17668 3341 1 9 . 1 1 53 53 SER H H 58 7.611 7.611 7.860 -0.249 17668 3342 1 9 . 1 1 54 54 GLU N N 59 120.820 120.820 121.517 -0.697 17668 3343 1 9 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.863 -0.505 17668 3344 1 9 . 1 1 54 54 GLU C C 59 178.308 178.308 177.489 0.819 17668 3345 1 9 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.713 1.030 17668 3346 1 9 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.560 0.680 17668 3347 1 9 . 1 1 54 54 GLU H H 59 8.930 8.930 8.694 0.236 17668 3348 1 9 . 1 1 55 55 ILE N N 60 118.086 118.086 120.751 -2.665 17668 3349 1 9 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.711 0.027 17668 3350 1 9 . 1 1 55 55 ILE C C 60 177.448 177.448 178.098 -0.650 17668 3351 1 9 . 1 1 55 55 ILE CA C 60 63.749 63.749 63.816 -0.068 17668 3352 1 9 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.693 0.822 17668 3353 1 9 . 1 1 55 55 ILE H H 60 7.583 7.583 7.451 0.132 17668 3354 1 9 . 1 1 56 56 THR N N 61 119.727 119.727 114.457 5.270 17668 3355 1 9 . 1 1 56 56 THR HA H 61 3.766 3.766 4.015 -0.249 17668 3356 1 9 . 1 1 56 56 THR C C 61 177.104 177.104 176.562 0.542 17668 3357 1 9 . 1 1 56 56 THR CA C 61 66.264 66.264 66.622 -0.358 17668 3358 1 9 . 1 1 56 56 THR CB C 61 68.245 68.245 68.745 -0.500 17668 3359 1 9 . 1 1 56 56 THR H H 61 7.471 7.471 7.739 -0.268 17668 3360 1 9 . 1 1 57 57 ILE N N 62 121.367 121.367 121.036 0.331 17668 3361 1 9 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.921 -0.890 17668 3362 1 9 . 1 1 57 57 ILE C C 62 176.756 176.756 176.518 0.238 17668 3363 1 9 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.340 3.421 17668 3364 1 9 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.888 0.363 17668 3365 1 9 . 1 1 57 57 ILE H H 62 7.259 7.259 7.361 -0.102 17668 3366 1 9 . 1 1 58 58 GLN N N 63 117.539 117.539 120.667 -3.128 17668 3367 1 9 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.839 -0.237 17668 3368 1 9 . 1 1 58 58 GLN C C 63 179.172 179.172 178.126 1.046 17668 3369 1 9 . 1 1 58 58 GLN CA C 63 59.755 59.755 60.030 -0.275 17668 3370 1 9 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.468 -0.735 17668 3371 1 9 . 1 1 58 58 GLN H H 63 7.976 7.976 8.075 -0.099 17668 3372 1 9 . 1 1 59 59 GLU N N 64 119.180 119.180 118.291 0.889 17668 3373 1 9 . 1 1 59 59 GLU HA H 64 3.874 3.874 3.963 -0.089 17668 3374 1 9 . 1 1 59 59 GLU C C 64 179.866 179.866 179.024 0.842 17668 3375 1 9 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.136 0.123 17668 3376 1 9 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.277 0.423 17668 3377 1 9 . 1 1 59 59 GLU H H 64 8.622 8.622 7.739 0.883 17668 3378 1 9 . 1 1 60 60 ARG N N 65 119.727 119.727 120.040 -0.313 17668 3379 1 9 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.142 -0.049 17668 3380 1 9 . 1 1 60 60 ARG C C 65 178.310 178.310 178.710 -0.400 17668 3381 1 9 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.137 -0.881 17668 3382 1 9 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.433 -0.685 17668 3383 1 9 . 1 1 60 60 ARG H H 65 7.891 7.891 7.782 0.109 17668 3384 1 9 . 1 1 61 61 ILE N N 66 118.086 118.086 119.713 -1.627 17668 3385 1 9 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.772 -0.225 17668 3386 1 9 . 1 1 61 61 ILE C C 66 178.311 178.311 177.787 0.524 17668 3387 1 9 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.520 -0.775 17668 3388 1 9 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.977 -0.296 17668 3389 1 9 . 1 1 61 61 ILE H H 66 7.443 7.443 7.936 -0.493 17668 3390 1 9 . 1 1 62 62 ALA N N 67 121.914 121.914 121.692 0.222 17668 3391 1 9 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.493 0.036 17668 3392 1 9 . 1 1 62 62 ALA C C 67 182.626 182.626 180.232 2.394 17668 3393 1 9 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.464 -0.214 17668 3394 1 9 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.488 -0.753 17668 3395 1 9 . 1 1 62 62 ALA H H 67 8.116 8.116 8.162 -0.046 17668 3396 1 9 . 1 1 63 63 ALA N N 68 121.367 121.367 121.560 -0.193 17668 3397 1 9 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.148 -0.136 17668 3398 1 9 . 1 1 63 63 ALA C C 68 179.690 179.690 178.704 0.986 17668 3399 1 9 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.501 -0.242 17668 3400 1 9 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.791 -0.570 17668 3401 1 9 . 1 1 63 63 ALA H H 68 7.948 7.948 8.162 -0.214 17668 3402 1 9 . 1 1 64 64 LEU N N 69 116.445 116.445 116.673 -0.228 17668 3403 1 9 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.427 -0.280 17668 3404 1 9 . 1 1 64 64 LEU C C 69 176.931 176.931 176.946 -0.015 17668 3405 1 9 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.141 1.104 17668 3406 1 9 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.179 2.062 17668 3407 1 9 . 1 1 64 64 LEU H H 69 7.247 7.247 7.506 -0.259 17668 3408 1 9 . 1 1 65 65 GLY N N 70 103.867 103.867 106.307 -2.440 17668 3409 1 9 . 1 1 65 65 GLY C C 70 173.651 173.651 173.524 0.127 17668 3410 1 9 . 1 1 65 65 GLY CA C 70 44.472 44.472 45.310 -0.838 17668 3411 1 9 . 1 1 65 65 GLY H H 70 7.668 7.668 7.557 0.111 17668 3412 1 9 . 1 1 66 66 TYR N N 71 119.180 119.180 117.591 1.589 17668 3413 1 9 . 1 1 66 66 TYR C C 71 174.513 174.513 174.898 -0.385 17668 3414 1 9 . 1 1 66 66 TYR CA C 71 57.020 57.020 55.766 1.254 17668 3415 1 9 . 1 1 66 66 TYR CB C 71 39.502 39.502 41.203 -1.700 17668 3416 1 9 . 1 1 66 66 TYR H H 71 6.798 6.798 7.336 -0.538 17668 3417 1 9 . 1 1 67 67 THR N N 72 109.883 109.883 111.832 -1.949 17668 3418 1 9 . 1 1 67 67 THR C C 72 173.998 173.998 173.115 0.883 17668 3419 1 9 . 1 1 67 67 THR CA C 72 60.249 60.249 61.060 -0.811 17668 3420 1 9 . 1 1 67 67 THR CB C 72 71.254 71.254 71.126 0.128 17668 3421 1 9 . 1 1 67 67 THR H H 72 8.144 8.144 8.312 -0.168 17668 3422 1 9 . 1 1 68 68 LEU N N 73 122.461 122.461 116.969 5.492 17668 3423 1 9 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.321 -0.275 17668 3424 1 9 . 1 1 68 68 LEU C C 73 174.168 174.168 174.889 -0.721 17668 3425 1 9 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.758 -0.506 17668 3426 1 9 . 1 1 68 68 LEU CB C 73 43.743 43.743 46.228 -2.485 17668 3427 1 9 . 1 1 68 68 LEU H H 73 8.397 8.397 8.363 0.034 17668 3428 1 9 . 1 1 69 69 ALA N N 74 125.195 125.195 123.589 1.606 17668 3429 1 9 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.801 -0.463 17668 3430 1 9 . 1 1 69 69 ALA C C 74 176.931 176.931 175.649 1.282 17668 3431 1 9 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.526 3.728 17668 3432 1 9 . 1 1 69 69 ALA CB C 74 18.225 18.225 21.400 -3.175 17668 3433 1 9 . 1 1 69 69 ALA H H 74 8.200 8.200 8.849 -0.649 17668 3434 1 9 . 1 1 70 70 GLU N N 75 120.820 120.820 125.067 -4.247 17668 3435 1 9 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.809 -0.335 17668 3436 1 9 . 1 1 70 70 GLU CA C 75 54.458 54.458 51.984 2.474 17668 3437 1 9 . 1 1 70 70 GLU CB C 75 29.591 29.591 32.370 -2.779 17668 3438 1 9 . 1 1 70 70 GLU H H 75 8.397 8.397 8.642 -0.245 17668 3439 1 10 . 1 1 2 2 LEU N N 7 119.727 119.727 118.298 1.429 17668 3440 1 10 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.455 -0.117 17668 3441 1 10 . 1 1 2 2 LEU C C 7 176.410 176.410 176.252 0.158 17668 3442 1 10 . 1 1 2 2 LEU CA C 7 54.010 54.010 55.192 -1.182 17668 3443 1 10 . 1 1 2 2 LEU CB C 7 43.226 43.226 42.312 0.914 17668 3444 1 10 . 1 1 2 2 LEU H H 7 7.919 7.919 8.497 -0.578 17668 3445 1 10 . 1 1 3 3 LYS N N 8 123.008 123.008 121.543 1.465 17668 3446 1 10 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.624 -0.259 17668 3447 1 10 . 1 1 3 3 LYS C C 8 174.512 174.512 174.840 -0.328 17668 3448 1 10 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.461 0.280 17668 3449 1 10 . 1 1 3 3 LYS CB C 8 35.723 35.723 34.965 0.758 17668 3450 1 10 . 1 1 3 3 LYS H H 8 8.650 8.650 8.136 0.514 17668 3451 1 10 . 1 1 4 4 THR N N 9 120.273 120.273 116.380 3.893 17668 3452 1 10 . 1 1 4 4 THR HA H 9 5.372 5.372 4.244 1.128 17668 3453 1 10 . 1 1 4 4 THR C C 9 174.170 174.170 174.248 -0.078 17668 3454 1 10 . 1 1 4 4 THR CA C 9 61.756 61.756 63.032 -1.276 17668 3455 1 10 . 1 1 4 4 THR CB C 9 70.757 70.757 69.248 1.509 17668 3456 1 10 . 1 1 4 4 THR H H 9 8.481 8.481 8.337 0.144 17668 3457 1 10 . 1 1 5 5 GLN N N 10 126.836 126.836 124.234 2.602 17668 3458 1 10 . 1 1 5 5 GLN C C 10 173.651 173.651 173.502 0.149 17668 3459 1 10 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.407 -1.171 17668 3460 1 10 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.221 2.263 17668 3461 1 10 . 1 1 5 5 GLN H H 10 9.295 9.295 8.386 0.909 17668 3462 1 10 . 1 1 6 6 GLN N N 11 121.367 121.367 124.485 -3.118 17668 3463 1 10 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.408 0.238 17668 3464 1 10 . 1 1 6 6 GLN C C 11 176.069 176.069 175.193 0.876 17668 3465 1 10 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.588 -0.828 17668 3466 1 10 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.686 -0.449 17668 3467 1 10 . 1 1 6 6 GLN H H 11 8.425 8.425 8.634 -0.209 17668 3468 1 10 . 1 1 7 7 MET N N 12 120.273 120.273 117.969 2.304 17668 3469 1 10 . 1 1 7 7 MET C C 12 173.824 173.824 174.125 -0.301 17668 3470 1 10 . 1 1 7 7 MET CA C 12 54.598 54.598 54.392 0.206 17668 3471 1 10 . 1 1 7 7 MET CB C 12 37.258 37.258 36.236 1.022 17668 3472 1 10 . 1 1 7 7 MET H H 12 9.294 9.294 8.253 1.041 17668 3473 1 10 . 1 1 8 8 GLN N N 13 122.461 122.461 118.579 3.882 17668 3474 1 10 . 1 1 8 8 GLN C C 13 174.863 174.863 174.444 0.419 17668 3475 1 10 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.367 -0.614 17668 3476 1 10 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.860 -0.617 17668 3477 1 10 . 1 1 8 8 GLN H H 13 8.790 8.790 8.347 0.443 17668 3478 1 10 . 1 1 9 9 VAL N N 14 126.289 126.289 120.054 6.235 17668 3479 1 10 . 1 1 9 9 VAL C C 14 176.586 176.586 176.280 0.306 17668 3480 1 10 . 1 1 9 9 VAL CA C 14 61.255 61.255 59.745 1.510 17668 3481 1 10 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.136 -1.669 17668 3482 1 10 . 1 1 9 9 VAL H H 14 8.930 8.930 8.745 0.185 17668 3483 1 10 . 1 1 10 10 GLY N N 15 117.539 117.539 115.897 1.642 17668 3484 1 10 . 1 1 10 10 GLY C C 15 173.997 173.997 174.422 -0.425 17668 3485 1 10 . 1 1 10 10 GLY CA C 15 44.245 44.245 45.252 -1.007 17668 3486 1 10 . 1 1 10 10 GLY H H 15 9.351 9.351 8.693 0.658 17668 3487 1 10 . 1 1 11 11 GLY N N 16 107.149 107.149 108.514 -1.365 17668 3488 1 10 . 1 1 11 11 GLY C C 16 176.067 176.067 175.179 0.888 17668 3489 1 10 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.086 0.170 17668 3490 1 10 . 1 1 11 11 GLY H H 16 8.284 8.284 7.811 0.473 17668 3491 1 10 . 1 1 12 12 MET N N 17 118.633 118.633 117.252 1.381 17668 3492 1 10 . 1 1 12 12 MET C C 17 177.102 177.102 175.867 1.235 17668 3493 1 10 . 1 1 12 12 MET CA C 17 57.740 57.740 55.595 2.145 17668 3494 1 10 . 1 1 12 12 MET CB C 17 34.243 34.243 31.690 2.553 17668 3495 1 10 . 1 1 12 12 MET H H 17 8.509 8.509 7.823 0.686 17668 3496 1 10 . 1 1 13 13 ARG N N 18 126.836 126.836 120.299 6.537 17668 3497 1 10 . 1 1 13 13 ARG C C 18 175.032 175.032 175.686 -0.654 17668 3498 1 10 . 1 1 13 13 ARG CA C 18 57.239 57.239 57.000 0.239 17668 3499 1 10 . 1 1 13 13 ARG CB C 18 32.744 32.744 30.321 2.423 17668 3500 1 10 . 1 1 13 13 ARG H H 18 10.782 10.782 7.958 2.824 17668 3501 1 10 . 1 1 14 14 CYS N N 19 114.805 114.805 117.883 -3.078 17668 3502 1 10 . 1 1 14 14 CYS CA C 19 56.217 56.217 59.904 -3.687 17668 3503 1 10 . 1 1 14 14 CYS CB C 19 30.413 30.413 26.175 4.238 17668 3504 1 10 . 1 1 14 14 CYS H H 19 8.425 8.425 8.583 -0.158 17668 3505 1 10 . 1 1 15 15 ALA CA C 20 51.257 51.257 52.381 -1.124 17668 3506 1 10 . 1 1 15 15 ALA CB C 20 19.247 19.247 19.370 -0.123 17668 3507 1 10 . 1 1 16 16 ALA N N 21 118.906 118.906 121.445 -2.539 17668 3508 1 10 . 1 1 16 16 ALA HA H 21 4.147 4.147 3.928 0.219 17668 3509 1 10 . 1 1 16 16 ALA C C 21 180.553 180.553 178.629 1.924 17668 3510 1 10 . 1 1 16 16 ALA CA C 21 54.756 54.756 53.841 0.915 17668 3511 1 10 . 1 1 16 16 ALA CB C 21 18.233 18.233 16.958 1.275 17668 3512 1 10 . 1 1 17 17 CYS N N 22 121.914 121.914 118.848 3.066 17668 3513 1 10 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.124 -0.303 17668 3514 1 10 . 1 1 17 17 CYS C C 22 177.966 177.966 176.150 1.816 17668 3515 1 10 . 1 1 17 17 CYS CA C 22 64.748 64.748 62.264 2.484 17668 3516 1 10 . 1 1 17 17 CYS CB C 22 29.245 29.245 26.673 2.572 17668 3517 1 10 . 1 1 17 17 CYS H H 22 7.640 7.640 8.654 -1.014 17668 3518 1 10 . 1 1 18 18 ALA N N 23 119.180 119.180 121.946 -2.766 17668 3519 1 10 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.991 -0.388 17668 3520 1 10 . 1 1 18 18 ALA C C 23 179.173 179.173 179.187 -0.014 17668 3521 1 10 . 1 1 18 18 ALA CA C 23 55.258 55.258 55.142 0.116 17668 3522 1 10 . 1 1 18 18 ALA CB C 23 18.741 18.741 17.995 0.746 17668 3523 1 10 . 1 1 18 18 ALA H H 23 6.629 6.629 8.638 -2.009 17668 3524 1 10 . 1 1 19 19 SER N N 24 112.618 112.618 113.300 -0.682 17668 3525 1 10 . 1 1 19 19 SER HA H 24 4.147 4.147 4.315 -0.168 17668 3526 1 10 . 1 1 19 19 SER C C 24 176.764 176.764 176.709 0.055 17668 3527 1 10 . 1 1 19 19 SER CA C 24 61.259 61.259 61.392 -0.133 17668 3528 1 10 . 1 1 19 19 SER CB C 24 62.754 62.754 63.622 -0.868 17668 3529 1 10 . 1 1 19 19 SER H H 24 7.752 7.752 8.070 -0.318 17668 3530 1 10 . 1 1 20 20 SER N N 25 116.992 116.992 120.033 -3.041 17668 3531 1 10 . 1 1 20 20 SER HA H 25 3.521 3.521 4.204 -0.683 17668 3532 1 10 . 1 1 20 20 SER C C 25 177.448 177.448 176.385 1.063 17668 3533 1 10 . 1 1 20 20 SER CA C 25 61.870 61.870 61.672 0.198 17668 3534 1 10 . 1 1 20 20 SER CB C 25 62.751 62.751 63.169 -0.418 17668 3535 1 10 . 1 1 20 20 SER H H 25 7.989 7.989 7.754 0.235 17668 3536 1 10 . 1 1 21 21 ILE N N 26 122.461 122.461 121.251 1.210 17668 3537 1 10 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.832 -0.502 17668 3538 1 10 . 1 1 21 21 ILE C C 26 176.930 176.930 177.267 -0.337 17668 3539 1 10 . 1 1 21 21 ILE CA C 26 66.255 66.255 64.373 1.882 17668 3540 1 10 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.208 0.029 17668 3541 1 10 . 1 1 21 21 ILE H H 26 7.583 7.583 8.421 -0.838 17668 3542 1 10 . 1 1 22 22 GLU N N 27 116.992 116.992 119.704 -2.712 17668 3543 1 10 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.958 -0.492 17668 3544 1 10 . 1 1 22 22 GLU C C 27 178.916 178.916 178.909 0.007 17668 3545 1 10 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.347 1.406 17668 3546 1 10 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.575 0.132 17668 3547 1 10 . 1 1 22 22 GLU H H 27 8.004 8.004 7.677 0.327 17668 3548 1 10 . 1 1 23 23 ARG N N 28 114.805 114.805 119.147 -4.342 17668 3549 1 10 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.031 -0.075 17668 3550 1 10 . 1 1 23 23 ARG C C 28 179.517 179.517 177.300 2.217 17668 3551 1 10 . 1 1 23 23 ARG CA C 28 58.752 58.752 59.069 -0.317 17668 3552 1 10 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.318 0.428 17668 3553 1 10 . 1 1 23 23 ARG H H 28 8.256 8.256 8.387 -0.131 17668 3554 1 10 . 1 1 24 24 ALA N N 29 118.633 118.633 120.369 -1.736 17668 3555 1 10 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.321 -0.364 17668 3556 1 10 . 1 1 24 24 ALA C C 29 181.073 181.073 180.017 1.056 17668 3557 1 10 . 1 1 24 24 ALA CA C 29 54.749 54.749 54.136 0.613 17668 3558 1 10 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.751 -0.022 17668 3559 1 10 . 1 1 24 24 ALA H H 29 7.555 7.555 7.462 0.093 17668 3560 1 10 . 1 1 25 25 LEU N N 30 115.899 115.899 120.897 -4.998 17668 3561 1 10 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.063 -0.079 17668 3562 1 10 . 1 1 25 25 LEU C C 30 178.658 178.658 178.351 0.307 17668 3563 1 10 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.278 -0.056 17668 3564 1 10 . 1 1 25 25 LEU CB C 30 41.248 41.248 42.057 -0.809 17668 3565 1 10 . 1 1 25 25 LEU H H 30 7.976 7.976 8.390 -0.414 17668 3566 1 10 . 1 1 26 26 GLU N N 31 115.899 115.899 116.143 -0.244 17668 3567 1 10 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.094 -0.356 17668 3568 1 10 . 1 1 26 26 GLU C C 31 177.793 177.793 177.557 0.236 17668 3569 1 10 . 1 1 26 26 GLU CA C 31 58.727 58.727 58.245 0.482 17668 3570 1 10 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.990 -0.749 17668 3571 1 10 . 1 1 26 26 GLU H H 31 8.116 8.116 7.949 0.167 17668 3572 1 10 . 1 1 27 27 ARG N N 32 114.258 114.258 116.147 -1.889 17668 3573 1 10 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.541 -0.394 17668 3574 1 10 . 1 1 27 27 ARG C C 32 176.757 176.757 176.459 0.298 17668 3575 1 10 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.714 0.536 17668 3576 1 10 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.857 -1.113 17668 3577 1 10 . 1 1 27 27 ARG H H 32 6.854 6.854 7.597 -0.743 17668 3578 1 10 . 1 1 28 28 LEU N N 33 123.008 123.008 123.920 -0.912 17668 3579 1 10 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.212 -0.010 17668 3580 1 10 . 1 1 28 28 LEU C C 33 176.412 176.412 177.012 -0.600 17668 3581 1 10 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.137 -0.888 17668 3582 1 10 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.348 -0.609 17668 3583 1 10 . 1 1 28 28 LEU H H 33 7.501 7.501 7.669 -0.168 17668 3584 1 10 . 1 1 29 29 LYS N N 34 127.383 127.383 124.556 2.827 17668 3585 1 10 . 1 1 29 29 LYS HA H 34 3.874 3.874 3.988 -0.114 17668 3586 1 10 . 1 1 29 29 LYS C C 34 176.412 176.412 177.547 -1.135 17668 3587 1 10 . 1 1 29 29 LYS CA C 34 58.242 58.242 58.036 0.206 17668 3588 1 10 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.472 -0.726 17668 3589 1 10 . 1 1 29 29 LYS H H 34 8.341 8.341 8.560 -0.219 17668 3590 1 10 . 1 1 30 30 GLY N N 35 111.524 111.524 110.830 0.694 17668 3591 1 10 . 1 1 30 30 GLY C C 35 175.715 175.715 173.278 2.437 17668 3592 1 10 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.601 -0.113 17668 3593 1 10 . 1 1 30 30 GLY H H 35 8.509 8.509 8.619 -0.110 17668 3594 1 10 . 1 1 31 31 VAL N N 36 122.461 122.461 119.156 3.305 17668 3595 1 10 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.612 -0.738 17668 3596 1 10 . 1 1 31 31 VAL C C 36 175.032 175.032 174.344 0.688 17668 3597 1 10 . 1 1 31 31 VAL CA C 36 63.757 63.757 61.298 2.459 17668 3598 1 10 . 1 1 31 31 VAL CB C 36 31.250 31.250 33.348 -2.098 17668 3599 1 10 . 1 1 31 31 VAL H H 36 7.892 7.892 7.648 0.244 17668 3600 1 10 . 1 1 32 32 ALA N N 37 131.758 131.758 129.915 1.843 17668 3601 1 10 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.552 -0.187 17668 3602 1 10 . 1 1 32 32 ALA C C 37 177.619 177.619 176.914 0.705 17668 3603 1 10 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.701 0.545 17668 3604 1 10 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.295 -0.573 17668 3605 1 10 . 1 1 32 32 ALA H H 37 9.042 9.042 9.075 -0.033 17668 3606 1 10 . 1 1 33 33 GLU N N 38 114.258 114.258 116.921 -2.663 17668 3607 1 10 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.593 -0.092 17668 3608 1 10 . 1 1 33 33 GLU C C 38 173.651 173.651 173.785 -0.134 17668 3609 1 10 . 1 1 33 33 GLU CA C 38 55.577 55.577 55.571 0.006 17668 3610 1 10 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.651 1.015 17668 3611 1 10 . 1 1 33 33 GLU H H 38 7.555 7.555 7.708 -0.153 17668 3612 1 10 . 1 1 34 34 ALA N N 39 125.742 125.742 124.224 1.518 17668 3613 1 10 . 1 1 34 34 ALA HA H 39 5.101 5.101 4.854 0.247 17668 3614 1 10 . 1 1 34 34 ALA C C 39 175.033 175.033 175.481 -0.448 17668 3615 1 10 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.780 -0.500 17668 3616 1 10 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.153 1.084 17668 3617 1 10 . 1 1 34 34 ALA H H 39 9.014 9.014 8.653 0.361 17668 3618 1 10 . 1 1 35 35 SER N N 40 113.711 113.711 115.405 -1.694 17668 3619 1 10 . 1 1 35 35 SER HA H 40 4.855 4.855 4.900 -0.045 17668 3620 1 10 . 1 1 35 35 SER C C 40 173.824 173.824 172.692 1.132 17668 3621 1 10 . 1 1 35 35 SER CA C 40 56.254 56.254 57.861 -1.607 17668 3622 1 10 . 1 1 35 35 SER CB C 40 65.255 65.255 65.044 0.211 17668 3623 1 10 . 1 1 35 35 SER H H 40 8.481 8.481 8.985 -0.504 17668 3624 1 10 . 1 1 36 36 VAL N N 41 129.570 129.570 126.087 3.483 17668 3625 1 10 . 1 1 36 36 VAL C C 41 175.204 175.204 176.154 -0.950 17668 3626 1 10 . 1 1 36 36 VAL CA C 41 60.265 60.265 61.312 -1.047 17668 3627 1 10 . 1 1 36 36 VAL CB C 41 33.743 33.743 31.796 1.948 17668 3628 1 10 . 1 1 36 36 VAL H H 41 10.164 10.164 9.484 0.680 17668 3629 1 10 . 1 1 37 37 THR N N 42 123.008 123.008 125.542 -2.534 17668 3630 1 10 . 1 1 37 37 THR HA H 42 4.392 4.392 4.359 0.033 17668 3631 1 10 . 1 1 37 37 THR C C 42 175.030 175.030 175.262 -0.232 17668 3632 1 10 . 1 1 37 37 THR CA C 42 60.760 60.760 62.603 -1.843 17668 3633 1 10 . 1 1 37 37 THR CB C 42 69.255 69.255 68.771 0.484 17668 3634 1 10 . 1 1 37 37 THR H H 42 8.453 8.453 8.928 -0.475 17668 3635 1 10 . 1 1 38 38 VAL N N 43 128.476 128.476 129.361 -0.885 17668 3636 1 10 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.718 -0.416 17668 3637 1 10 . 1 1 38 38 VAL C C 43 176.067 176.067 177.533 -1.466 17668 3638 1 10 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.990 -2.722 17668 3639 1 10 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.759 0.468 17668 3640 1 10 . 1 1 38 38 VAL H H 43 8.789 8.789 8.542 0.247 17668 3641 1 10 . 1 1 39 39 ALA N N 44 119.180 119.180 121.693 -2.513 17668 3642 1 10 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.116 -0.132 17668 3643 1 10 . 1 1 39 39 ALA C C 44 179.167 179.167 178.499 0.668 17668 3644 1 10 . 1 1 39 39 ALA CA C 44 55.225 55.225 55.194 0.031 17668 3645 1 10 . 1 1 39 39 ALA CB C 44 18.995 18.995 17.813 1.182 17668 3646 1 10 . 1 1 39 39 ALA H H 44 8.509 8.509 8.264 0.245 17668 3647 1 10 . 1 1 40 40 THR N N 45 135.586 135.586 107.235 28.351 17668 3648 1 10 . 1 1 40 40 THR HA H 45 4.338 4.338 4.297 0.041 17668 3649 1 10 . 1 1 40 40 THR C C 45 176.237 176.237 175.264 0.973 17668 3650 1 10 . 1 1 40 40 THR CA C 45 60.254 60.254 62.102 -1.848 17668 3651 1 10 . 1 1 40 40 THR CB C 45 70.261 70.261 69.403 0.858 17668 3652 1 10 . 1 1 40 40 THR H H 45 6.713 6.713 7.810 -1.097 17668 3653 1 10 . 1 1 41 41 GLY N N 46 110.977 110.977 112.189 -1.212 17668 3654 1 10 . 1 1 41 41 GLY C C 46 172.096 172.096 172.884 -0.788 17668 3655 1 10 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.514 0.711 17668 3656 1 10 . 1 1 41 41 GLY H H 46 7.835 7.835 7.864 -0.029 17668 3657 1 10 . 1 1 42 42 ARG N N 47 118.086 118.086 116.321 1.765 17668 3658 1 10 . 1 1 42 42 ARG C C 47 175.032 175.032 173.275 1.757 17668 3659 1 10 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.470 1.780 17668 3660 1 10 . 1 1 42 42 ARG CB C 47 31.739 31.739 33.113 -1.374 17668 3661 1 10 . 1 1 42 42 ARG H H 47 7.303 7.303 7.974 -0.671 17668 3662 1 10 . 1 1 43 43 LEU N N 48 129.023 129.023 119.896 9.127 17668 3663 1 10 . 1 1 43 43 LEU HA H 48 5.019 5.019 4.927 0.092 17668 3664 1 10 . 1 1 43 43 LEU C C 48 175.033 175.033 175.464 -0.431 17668 3665 1 10 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.691 -0.441 17668 3666 1 10 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.681 -1.600 17668 3667 1 10 . 1 1 43 43 LEU H H 48 8.986 8.986 8.362 0.624 17668 3668 1 10 . 1 1 44 44 THR N N 49 123.008 123.008 119.216 3.792 17668 3669 1 10 . 1 1 44 44 THR HA H 49 4.964 4.964 5.288 -0.324 17668 3670 1 10 . 1 1 44 44 THR C C 49 173.475 173.475 172.577 0.898 17668 3671 1 10 . 1 1 44 44 THR CA C 49 61.752 61.752 62.025 -0.273 17668 3672 1 10 . 1 1 44 44 THR CB C 49 69.756 69.756 71.006 -1.250 17668 3673 1 10 . 1 1 44 44 THR H H 49 9.154 9.154 8.360 0.794 17668 3674 1 10 . 1 1 45 45 VAL N N 50 125.195 125.195 126.602 -1.407 17668 3675 1 10 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.797 0.385 17668 3676 1 10 . 1 1 45 45 VAL C C 50 172.614 172.614 173.189 -0.575 17668 3677 1 10 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.242 -1.480 17668 3678 1 10 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.324 -0.872 17668 3679 1 10 . 1 1 45 45 VAL H H 50 9.071 9.071 9.376 -0.305 17668 3680 1 10 . 1 1 46 46 THR N N 51 124.648 124.648 125.538 -0.890 17668 3681 1 10 . 1 1 46 46 THR HA H 51 5.782 5.782 5.080 0.702 17668 3682 1 10 . 1 1 46 46 THR C C 51 174.684 174.684 173.641 1.043 17668 3683 1 10 . 1 1 46 46 THR CA C 51 61.248 61.248 61.212 0.036 17668 3684 1 10 . 1 1 46 46 THR CB C 51 70.265 70.265 68.660 1.605 17668 3685 1 10 . 1 1 46 46 THR H H 51 8.930 8.930 8.984 -0.054 17668 3686 1 10 . 1 1 47 47 TYR N N 52 124.648 124.648 124.718 -0.070 17668 3687 1 10 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.348 -0.057 17668 3688 1 10 . 1 1 47 47 TYR C C 52 171.408 171.408 173.341 -1.933 17668 3689 1 10 . 1 1 47 47 TYR CA C 52 55.245 55.245 54.666 0.579 17668 3690 1 10 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.352 0.402 17668 3691 1 10 . 1 1 47 47 TYR H H 52 9.603 9.603 7.997 1.606 17668 3692 1 10 . 1 1 48 48 ASP N N 53 119.180 119.180 121.221 -2.041 17668 3693 1 10 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.306 -0.341 17668 3694 1 10 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.439 -0.430 17668 3695 1 10 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.607 -1.049 17668 3696 1 10 . 1 1 48 48 ASP H H 53 8.481 8.481 8.542 -0.061 17668 3697 1 10 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.782 0.591 17668 3698 1 10 . 1 1 49 49 PRO C C 54 178.311 178.311 176.647 1.664 17668 3699 1 10 . 1 1 49 49 PRO CA C 54 63.263 63.263 64.438 -1.175 17668 3700 1 10 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.871 0.372 17668 3701 1 10 . 1 1 50 50 LYS N N 55 116.992 116.992 116.470 0.522 17668 3702 1 10 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.412 -0.292 17668 3703 1 10 . 1 1 50 50 LYS C C 55 177.802 177.802 177.709 0.093 17668 3704 1 10 . 1 1 50 50 LYS CA C 55 57.726 57.726 57.023 0.703 17668 3705 1 10 . 1 1 50 50 LYS CB C 55 31.865 31.865 32.736 -0.871 17668 3706 1 10 . 1 1 50 50 LYS H H 55 8.284 8.284 7.933 0.351 17668 3707 1 10 . 1 1 51 51 GLN N N 56 115.352 115.352 118.539 -3.187 17668 3708 1 10 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.223 0.088 17668 3709 1 10 . 1 1 51 51 GLN C C 56 175.031 175.031 176.658 -1.627 17668 3710 1 10 . 1 1 51 51 GLN CA C 56 56.756 56.756 57.718 -0.962 17668 3711 1 10 . 1 1 51 51 GLN CB C 56 33.752 33.752 29.838 3.914 17668 3712 1 10 . 1 1 51 51 GLN H H 56 7.864 7.864 8.228 -0.364 17668 3713 1 10 . 1 1 52 52 VAL N N 57 120.273 120.273 111.253 9.020 17668 3714 1 10 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.468 -0.075 17668 3715 1 10 . 1 1 52 52 VAL C C 57 170.718 170.718 173.673 -2.955 17668 3716 1 10 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.995 -0.223 17668 3717 1 10 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.810 -0.582 17668 3718 1 10 . 1 1 52 52 VAL H H 57 8.172 8.172 8.219 -0.047 17668 3719 1 10 . 1 1 53 53 SER N N 58 116.992 116.992 113.683 3.309 17668 3720 1 10 . 1 1 53 53 SER C C 58 175.377 175.377 175.249 0.128 17668 3721 1 10 . 1 1 53 53 SER CA C 58 55.251 55.251 56.582 -1.331 17668 3722 1 10 . 1 1 53 53 SER CB C 58 66.750 66.750 66.248 0.502 17668 3723 1 10 . 1 1 53 53 SER H H 58 7.611 7.611 8.028 -0.417 17668 3724 1 10 . 1 1 54 54 GLU N N 59 120.820 120.820 121.305 -0.485 17668 3725 1 10 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.910 -0.552 17668 3726 1 10 . 1 1 54 54 GLU C C 59 178.308 178.308 178.021 0.287 17668 3727 1 10 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.568 1.175 17668 3728 1 10 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.803 0.437 17668 3729 1 10 . 1 1 54 54 GLU H H 59 8.930 8.930 8.824 0.106 17668 3730 1 10 . 1 1 55 55 ILE N N 60 118.086 118.086 121.507 -3.421 17668 3731 1 10 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.575 0.163 17668 3732 1 10 . 1 1 55 55 ILE C C 60 177.448 177.448 177.940 -0.492 17668 3733 1 10 . 1 1 55 55 ILE CA C 60 63.749 63.749 65.406 -1.657 17668 3734 1 10 . 1 1 55 55 ILE CB C 60 37.515 37.515 37.753 -0.238 17668 3735 1 10 . 1 1 55 55 ILE H H 60 7.583 7.583 7.783 -0.200 17668 3736 1 10 . 1 1 56 56 THR N N 61 119.727 119.727 114.376 5.351 17668 3737 1 10 . 1 1 56 56 THR HA H 61 3.766 3.766 3.936 -0.170 17668 3738 1 10 . 1 1 56 56 THR C C 61 177.104 177.104 175.530 1.574 17668 3739 1 10 . 1 1 56 56 THR CA C 61 66.264 66.264 66.641 -0.377 17668 3740 1 10 . 1 1 56 56 THR CB C 61 68.245 68.245 68.624 -0.378 17668 3741 1 10 . 1 1 56 56 THR H H 61 7.471 7.471 7.737 -0.266 17668 3742 1 10 . 1 1 57 57 ILE N N 62 121.367 121.367 119.196 2.171 17668 3743 1 10 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.058 -1.027 17668 3744 1 10 . 1 1 57 57 ILE C C 62 176.756 176.756 176.544 0.212 17668 3745 1 10 . 1 1 57 57 ILE CA C 62 65.760 65.760 61.608 4.152 17668 3746 1 10 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.291 -0.041 17668 3747 1 10 . 1 1 57 57 ILE H H 62 7.259 7.259 7.158 0.101 17668 3748 1 10 . 1 1 58 58 GLN N N 63 117.539 117.539 121.752 -4.213 17668 3749 1 10 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.921 -0.319 17668 3750 1 10 . 1 1 58 58 GLN C C 63 179.172 179.172 178.100 1.072 17668 3751 1 10 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.768 -0.013 17668 3752 1 10 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.625 -0.891 17668 3753 1 10 . 1 1 58 58 GLN H H 63 7.976 7.976 8.578 -0.602 17668 3754 1 10 . 1 1 59 59 GLU N N 64 119.180 119.180 117.328 1.852 17668 3755 1 10 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.154 -0.280 17668 3756 1 10 . 1 1 59 59 GLU C C 64 179.866 179.866 177.412 2.454 17668 3757 1 10 . 1 1 59 59 GLU CA C 64 59.259 59.259 57.865 1.394 17668 3758 1 10 . 1 1 59 59 GLU CB C 64 29.700 29.700 28.939 0.762 17668 3759 1 10 . 1 1 59 59 GLU H H 64 8.622 8.622 8.215 0.407 17668 3760 1 10 . 1 1 60 60 ARG N N 65 119.727 119.727 118.964 0.763 17668 3761 1 10 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.488 -0.395 17668 3762 1 10 . 1 1 60 60 ARG C C 65 178.310 178.310 177.693 0.617 17668 3763 1 10 . 1 1 60 60 ARG CA C 65 57.256 57.256 56.771 0.485 17668 3764 1 10 . 1 1 60 60 ARG CB C 65 28.748 28.748 31.233 -2.485 17668 3765 1 10 . 1 1 60 60 ARG H H 65 7.891 7.891 7.514 0.377 17668 3766 1 10 . 1 1 61 61 ILE N N 66 118.086 118.086 121.751 -3.665 17668 3767 1 10 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.817 -0.270 17668 3768 1 10 . 1 1 61 61 ILE C C 66 178.311 178.311 177.617 0.694 17668 3769 1 10 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.820 -1.075 17668 3770 1 10 . 1 1 61 61 ILE CB C 66 37.681 37.681 38.111 -0.430 17668 3771 1 10 . 1 1 61 61 ILE H H 66 7.443 7.443 8.655 -1.212 17668 3772 1 10 . 1 1 62 62 ALA N N 67 121.914 121.914 121.686 0.228 17668 3773 1 10 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.450 0.079 17668 3774 1 10 . 1 1 62 62 ALA C C 67 182.626 182.626 178.962 3.664 17668 3775 1 10 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.298 -0.049 17668 3776 1 10 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.496 -0.761 17668 3777 1 10 . 1 1 62 62 ALA H H 67 8.116 8.116 8.275 -0.159 17668 3778 1 10 . 1 1 63 63 ALA N N 68 121.367 121.367 120.889 0.478 17668 3779 1 10 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.177 -0.165 17668 3780 1 10 . 1 1 63 63 ALA C C 68 179.690 179.690 179.025 0.665 17668 3781 1 10 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.203 0.056 17668 3782 1 10 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.613 -0.392 17668 3783 1 10 . 1 1 63 63 ALA H H 68 7.948 7.948 7.557 0.391 17668 3784 1 10 . 1 1 64 64 LEU N N 69 116.445 116.445 117.462 -1.017 17668 3785 1 10 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.206 -0.059 17668 3786 1 10 . 1 1 64 64 LEU C C 69 176.931 176.931 177.224 -0.293 17668 3787 1 10 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.738 0.507 17668 3788 1 10 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.373 1.868 17668 3789 1 10 . 1 1 64 64 LEU H H 69 7.247 7.247 7.878 -0.631 17668 3790 1 10 . 1 1 65 65 GLY N N 70 103.867 103.867 103.543 0.324 17668 3791 1 10 . 1 1 65 65 GLY C C 70 173.651 173.651 174.261 -0.610 17668 3792 1 10 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.511 -0.039 17668 3793 1 10 . 1 1 65 65 GLY H H 70 7.668 7.668 7.321 0.347 17668 3794 1 10 . 1 1 66 66 TYR N N 71 119.180 119.180 120.206 -1.026 17668 3795 1 10 . 1 1 66 66 TYR C C 71 174.513 174.513 175.488 -0.975 17668 3796 1 10 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.711 0.309 17668 3797 1 10 . 1 1 66 66 TYR CB C 71 39.502 39.502 39.240 0.262 17668 3798 1 10 . 1 1 66 66 TYR H H 71 6.798 6.798 7.712 -0.914 17668 3799 1 10 . 1 1 67 67 THR N N 72 109.883 109.883 111.262 -1.379 17668 3800 1 10 . 1 1 67 67 THR C C 72 173.998 173.998 173.143 0.855 17668 3801 1 10 . 1 1 67 67 THR CA C 72 60.249 60.249 60.201 0.048 17668 3802 1 10 . 1 1 67 67 THR CB C 72 71.254 71.254 70.955 0.299 17668 3803 1 10 . 1 1 67 67 THR H H 72 8.144 8.144 8.231 -0.087 17668 3804 1 10 . 1 1 68 68 LEU N N 73 122.461 122.461 116.873 5.588 17668 3805 1 10 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.258 -0.212 17668 3806 1 10 . 1 1 68 68 LEU C C 73 174.168 174.168 175.251 -1.083 17668 3807 1 10 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.510 -0.258 17668 3808 1 10 . 1 1 68 68 LEU CB C 73 43.743 43.743 46.746 -3.003 17668 3809 1 10 . 1 1 68 68 LEU H H 73 8.397 8.397 8.417 -0.020 17668 3810 1 10 . 1 1 69 69 ALA N N 74 125.195 125.195 121.519 3.676 17668 3811 1 10 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.724 -0.386 17668 3812 1 10 . 1 1 69 69 ALA C C 74 176.931 176.931 175.546 1.385 17668 3813 1 10 . 1 1 69 69 ALA CA C 74 55.254 55.254 52.303 2.951 17668 3814 1 10 . 1 1 69 69 ALA CB C 74 18.225 18.225 21.448 -3.223 17668 3815 1 10 . 1 1 69 69 ALA H H 74 8.200 8.200 8.686 -0.486 17668 3816 1 10 . 1 1 70 70 GLU N N 75 120.820 120.820 124.812 -3.992 17668 3817 1 10 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.889 -0.415 17668 3818 1 10 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.033 2.425 17668 3819 1 10 . 1 1 70 70 GLU CB C 75 29.591 29.591 30.957 -1.366 17668 3820 1 10 . 1 1 70 70 GLU H H 75 8.397 8.397 8.946 -0.549 17668 3821 1 11 . 1 1 2 2 LEU N N 7 119.727 119.727 117.826 1.901 17668 3822 1 11 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.820 -0.482 17668 3823 1 11 . 1 1 2 2 LEU C C 7 176.410 176.410 176.274 0.136 17668 3824 1 11 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.942 -0.932 17668 3825 1 11 . 1 1 2 2 LEU CB C 7 43.226 43.226 42.653 0.573 17668 3826 1 11 . 1 1 2 2 LEU H H 7 7.919 7.919 8.389 -0.470 17668 3827 1 11 . 1 1 3 3 LYS N N 8 123.008 123.008 119.611 3.397 17668 3828 1 11 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.574 -0.209 17668 3829 1 11 . 1 1 3 3 LYS C C 8 174.512 174.512 174.641 -0.129 17668 3830 1 11 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.671 0.070 17668 3831 1 11 . 1 1 3 3 LYS CB C 8 35.723 35.723 34.626 1.097 17668 3832 1 11 . 1 1 3 3 LYS H H 8 8.650 8.650 8.507 0.143 17668 3833 1 11 . 1 1 4 4 THR N N 9 120.273 120.273 116.339 3.934 17668 3834 1 11 . 1 1 4 4 THR HA H 9 5.372 5.372 4.365 1.007 17668 3835 1 11 . 1 1 4 4 THR C C 9 174.170 174.170 174.249 -0.079 17668 3836 1 11 . 1 1 4 4 THR CA C 9 61.756 61.756 63.014 -1.258 17668 3837 1 11 . 1 1 4 4 THR CB C 9 70.757 70.757 69.368 1.389 17668 3838 1 11 . 1 1 4 4 THR H H 9 8.481 8.481 8.311 0.170 17668 3839 1 11 . 1 1 5 5 GLN N N 10 126.836 126.836 125.602 1.234 17668 3840 1 11 . 1 1 5 5 GLN C C 10 173.651 173.651 173.162 0.489 17668 3841 1 11 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.235 -0.999 17668 3842 1 11 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.263 2.221 17668 3843 1 11 . 1 1 5 5 GLN H H 10 9.295 9.295 8.127 1.168 17668 3844 1 11 . 1 1 6 6 GLN N N 11 121.367 121.367 125.953 -4.586 17668 3845 1 11 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.314 0.332 17668 3846 1 11 . 1 1 6 6 GLN C C 11 176.069 176.069 175.207 0.862 17668 3847 1 11 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.666 -0.906 17668 3848 1 11 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.311 -0.074 17668 3849 1 11 . 1 1 6 6 GLN H H 11 8.425 8.425 8.454 -0.029 17668 3850 1 11 . 1 1 7 7 MET N N 12 120.273 120.273 121.777 -1.504 17668 3851 1 11 . 1 1 7 7 MET C C 12 173.824 173.824 174.346 -0.522 17668 3852 1 11 . 1 1 7 7 MET CA C 12 54.598 54.598 54.374 0.224 17668 3853 1 11 . 1 1 7 7 MET CB C 12 37.258 37.258 36.656 0.602 17668 3854 1 11 . 1 1 7 7 MET H H 12 9.294 9.294 9.133 0.161 17668 3855 1 11 . 1 1 8 8 GLN N N 13 122.461 122.461 118.057 4.404 17668 3856 1 11 . 1 1 8 8 GLN C C 13 174.863 174.863 174.971 -0.108 17668 3857 1 11 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.561 0.192 17668 3858 1 11 . 1 1 8 8 GLN CB C 13 30.243 30.243 31.823 -1.579 17668 3859 1 11 . 1 1 8 8 GLN H H 13 8.790 8.790 8.279 0.511 17668 3860 1 11 . 1 1 9 9 VAL N N 14 126.289 126.289 118.791 7.498 17668 3861 1 11 . 1 1 9 9 VAL C C 14 176.586 176.586 173.608 2.978 17668 3862 1 11 . 1 1 9 9 VAL CA C 14 61.255 61.255 61.194 0.061 17668 3863 1 11 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.153 -1.686 17668 3864 1 11 . 1 1 9 9 VAL H H 14 8.930 8.930 7.939 0.991 17668 3865 1 11 . 1 1 10 10 GLY N N 15 117.539 117.539 113.546 3.993 17668 3866 1 11 . 1 1 10 10 GLY C C 15 173.997 173.997 174.183 -0.186 17668 3867 1 11 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.606 -0.361 17668 3868 1 11 . 1 1 10 10 GLY H H 15 9.351 9.351 8.945 0.406 17668 3869 1 11 . 1 1 11 11 GLY N N 16 107.149 107.149 111.731 -4.582 17668 3870 1 11 . 1 1 11 11 GLY C C 16 176.067 176.067 174.497 1.570 17668 3871 1 11 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.445 -0.189 17668 3872 1 11 . 1 1 11 11 GLY H H 16 8.284 8.284 8.513 -0.229 17668 3873 1 11 . 1 1 12 12 MET N N 17 118.633 118.633 124.232 -5.599 17668 3874 1 11 . 1 1 12 12 MET C C 17 177.102 177.102 174.765 2.337 17668 3875 1 11 . 1 1 12 12 MET CA C 17 57.740 57.740 55.854 1.886 17668 3876 1 11 . 1 1 12 12 MET CB C 17 34.243 34.243 31.832 2.411 17668 3877 1 11 . 1 1 12 12 MET H H 17 8.509 8.509 7.347 1.162 17668 3878 1 11 . 1 1 13 13 ARG N N 18 126.836 126.836 122.171 4.665 17668 3879 1 11 . 1 1 13 13 ARG C C 18 175.032 175.032 175.437 -0.405 17668 3880 1 11 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.254 0.985 17668 3881 1 11 . 1 1 13 13 ARG CB C 18 32.744 32.744 31.493 1.251 17668 3882 1 11 . 1 1 13 13 ARG H H 18 10.782 10.782 8.232 2.550 17668 3883 1 11 . 1 1 14 14 CYS N N 19 114.805 114.805 119.064 -4.259 17668 3884 1 11 . 1 1 14 14 CYS CA C 19 56.217 56.217 58.706 -2.490 17668 3885 1 11 . 1 1 14 14 CYS CB C 19 30.413 30.413 28.650 1.763 17668 3886 1 11 . 1 1 14 14 CYS H H 19 8.425 8.425 8.246 0.179 17668 3887 1 11 . 1 1 15 15 ALA CA C 20 51.257 51.257 53.234 -1.977 17668 3888 1 11 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.960 0.287 17668 3889 1 11 . 1 1 16 16 ALA N N 21 118.906 118.906 124.333 -5.427 17668 3890 1 11 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.018 0.129 17668 3891 1 11 . 1 1 16 16 ALA C C 21 180.553 180.553 177.878 2.675 17668 3892 1 11 . 1 1 16 16 ALA CA C 21 54.756 54.756 53.412 1.344 17668 3893 1 11 . 1 1 16 16 ALA CB C 21 18.233 18.233 17.180 1.053 17668 3894 1 11 . 1 1 17 17 CYS N N 22 121.914 121.914 117.722 4.192 17668 3895 1 11 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.428 -0.607 17668 3896 1 11 . 1 1 17 17 CYS C C 22 177.966 177.966 176.713 1.253 17668 3897 1 11 . 1 1 17 17 CYS CA C 22 64.748 64.748 60.334 4.414 17668 3898 1 11 . 1 1 17 17 CYS CB C 22 29.245 29.245 27.755 1.490 17668 3899 1 11 . 1 1 17 17 CYS H H 22 7.640 7.640 7.830 -0.190 17668 3900 1 11 . 1 1 18 18 ALA N N 23 119.180 119.180 123.289 -4.109 17668 3901 1 11 . 1 1 18 18 ALA HA H 23 3.603 3.603 4.096 -0.493 17668 3902 1 11 . 1 1 18 18 ALA C C 23 179.173 179.173 178.484 0.689 17668 3903 1 11 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.482 0.776 17668 3904 1 11 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.136 0.605 17668 3905 1 11 . 1 1 18 18 ALA H H 23 6.629 6.629 8.573 -1.944 17668 3906 1 11 . 1 1 19 19 SER N N 24 112.618 112.618 114.625 -2.007 17668 3907 1 11 . 1 1 19 19 SER HA H 24 4.147 4.147 4.103 0.044 17668 3908 1 11 . 1 1 19 19 SER C C 24 176.764 176.764 176.526 0.238 17668 3909 1 11 . 1 1 19 19 SER CA C 24 61.259 61.259 62.009 -0.750 17668 3910 1 11 . 1 1 19 19 SER CB C 24 62.754 62.754 62.942 -0.188 17668 3911 1 11 . 1 1 19 19 SER H H 24 7.752 7.752 8.187 -0.435 17668 3912 1 11 . 1 1 20 20 SER N N 25 116.992 116.992 117.811 -0.819 17668 3913 1 11 . 1 1 20 20 SER HA H 25 3.521 3.521 4.320 -0.799 17668 3914 1 11 . 1 1 20 20 SER C C 25 177.448 177.448 175.835 1.613 17668 3915 1 11 . 1 1 20 20 SER CA C 25 61.870 61.870 60.894 0.976 17668 3916 1 11 . 1 1 20 20 SER CB C 25 62.751 62.751 63.015 -0.264 17668 3917 1 11 . 1 1 20 20 SER H H 25 7.989 7.989 7.739 0.250 17668 3918 1 11 . 1 1 21 21 ILE N N 26 122.461 122.461 123.267 -0.806 17668 3919 1 11 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.964 -0.634 17668 3920 1 11 . 1 1 21 21 ILE C C 26 176.930 176.930 177.118 -0.188 17668 3921 1 11 . 1 1 21 21 ILE CA C 26 66.255 66.255 64.512 1.743 17668 3922 1 11 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.468 -0.230 17668 3923 1 11 . 1 1 21 21 ILE H H 26 7.583 7.583 8.007 -0.424 17668 3924 1 11 . 1 1 22 22 GLU N N 27 116.992 116.992 120.121 -3.129 17668 3925 1 11 . 1 1 22 22 GLU HA H 27 3.466 3.466 4.025 -0.559 17668 3926 1 11 . 1 1 22 22 GLU C C 27 178.916 178.916 179.243 -0.327 17668 3927 1 11 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.323 1.430 17668 3928 1 11 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.511 0.196 17668 3929 1 11 . 1 1 22 22 GLU H H 27 8.004 8.004 8.414 -0.410 17668 3930 1 11 . 1 1 23 23 ARG N N 28 114.805 114.805 117.564 -2.759 17668 3931 1 11 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.174 -0.218 17668 3932 1 11 . 1 1 23 23 ARG C C 28 179.517 179.517 176.849 2.668 17668 3933 1 11 . 1 1 23 23 ARG CA C 28 58.752 58.752 57.327 1.425 17668 3934 1 11 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.349 0.397 17668 3935 1 11 . 1 1 23 23 ARG H H 28 8.256 8.256 8.184 0.072 17668 3936 1 11 . 1 1 24 24 ALA N N 29 118.633 118.633 120.923 -2.290 17668 3937 1 11 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.471 -0.514 17668 3938 1 11 . 1 1 24 24 ALA C C 29 181.073 181.073 178.994 2.079 17668 3939 1 11 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.317 1.432 17668 3940 1 11 . 1 1 24 24 ALA CB C 29 18.729 18.729 19.886 -1.157 17668 3941 1 11 . 1 1 24 24 ALA H H 29 7.555 7.555 7.743 -0.188 17668 3942 1 11 . 1 1 25 25 LEU N N 30 115.899 115.899 119.833 -3.934 17668 3943 1 11 . 1 1 25 25 LEU HA H 30 3.984 3.984 3.992 -0.008 17668 3944 1 11 . 1 1 25 25 LEU C C 30 178.658 178.658 177.280 1.378 17668 3945 1 11 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.752 -0.531 17668 3946 1 11 . 1 1 25 25 LEU CB C 30 41.248 41.248 42.295 -1.047 17668 3947 1 11 . 1 1 25 25 LEU H H 30 7.976 7.976 8.392 -0.416 17668 3948 1 11 . 1 1 26 26 GLU N N 31 115.899 115.899 113.575 2.324 17668 3949 1 11 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.175 -0.437 17668 3950 1 11 . 1 1 26 26 GLU C C 31 177.793 177.793 177.806 -0.013 17668 3951 1 11 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.611 1.116 17668 3952 1 11 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.632 -0.391 17668 3953 1 11 . 1 1 26 26 GLU H H 31 8.116 8.116 8.185 -0.069 17668 3954 1 11 . 1 1 27 27 ARG N N 32 114.258 114.258 118.473 -4.215 17668 3955 1 11 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.370 -0.223 17668 3956 1 11 . 1 1 27 27 ARG C C 32 176.757 176.757 176.902 -0.145 17668 3957 1 11 . 1 1 27 27 ARG CA C 32 56.250 56.250 56.253 -0.003 17668 3958 1 11 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.244 -0.500 17668 3959 1 11 . 1 1 27 27 ARG H H 32 6.854 6.854 7.946 -1.092 17668 3960 1 11 . 1 1 28 28 LEU N N 33 123.008 123.008 120.912 2.096 17668 3961 1 11 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.211 -0.009 17668 3962 1 11 . 1 1 28 28 LEU C C 33 176.412 176.412 176.834 -0.422 17668 3963 1 11 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.256 -1.007 17668 3964 1 11 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.093 -0.354 17668 3965 1 11 . 1 1 28 28 LEU H H 33 7.501 7.501 7.680 -0.179 17668 3966 1 11 . 1 1 29 29 LYS N N 34 127.383 127.383 121.000 6.383 17668 3967 1 11 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.459 -0.585 17668 3968 1 11 . 1 1 29 29 LYS C C 34 176.412 176.412 177.448 -1.036 17668 3969 1 11 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.191 2.051 17668 3970 1 11 . 1 1 29 29 LYS CB C 34 31.746 31.746 33.139 -1.393 17668 3971 1 11 . 1 1 29 29 LYS H H 34 8.341 8.341 8.487 -0.146 17668 3972 1 11 . 1 1 30 30 GLY N N 35 111.524 111.524 109.377 2.147 17668 3973 1 11 . 1 1 30 30 GLY C C 35 175.715 175.715 173.184 2.531 17668 3974 1 11 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.632 -0.144 17668 3975 1 11 . 1 1 30 30 GLY H H 35 8.509 8.509 8.861 -0.352 17668 3976 1 11 . 1 1 31 31 VAL N N 36 122.461 122.461 118.345 4.116 17668 3977 1 11 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.762 -0.888 17668 3978 1 11 . 1 1 31 31 VAL C C 36 175.032 175.032 174.194 0.838 17668 3979 1 11 . 1 1 31 31 VAL CA C 36 63.757 63.757 60.254 3.503 17668 3980 1 11 . 1 1 31 31 VAL CB C 36 31.250 31.250 33.290 -2.040 17668 3981 1 11 . 1 1 31 31 VAL H H 36 7.892 7.892 7.513 0.379 17668 3982 1 11 . 1 1 32 32 ALA N N 37 131.758 131.758 130.407 1.351 17668 3983 1 11 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.755 -0.390 17668 3984 1 11 . 1 1 32 32 ALA C C 37 177.619 177.619 176.492 1.127 17668 3985 1 11 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.443 0.803 17668 3986 1 11 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.123 -0.401 17668 3987 1 11 . 1 1 32 32 ALA H H 37 9.042 9.042 9.051 -0.009 17668 3988 1 11 . 1 1 33 33 GLU N N 38 114.258 114.258 115.330 -1.072 17668 3989 1 11 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.536 -0.035 17668 3990 1 11 . 1 1 33 33 GLU C C 38 173.651 173.651 173.881 -0.230 17668 3991 1 11 . 1 1 33 33 GLU CA C 38 55.577 55.577 55.988 -0.411 17668 3992 1 11 . 1 1 33 33 GLU CB C 38 33.666 33.666 31.491 2.175 17668 3993 1 11 . 1 1 33 33 GLU H H 38 7.555 7.555 7.828 -0.273 17668 3994 1 11 . 1 1 34 34 ALA N N 39 125.742 125.742 123.988 1.754 17668 3995 1 11 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.104 -0.003 17668 3996 1 11 . 1 1 34 34 ALA C C 39 175.033 175.033 175.895 -0.862 17668 3997 1 11 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.552 -0.272 17668 3998 1 11 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.157 1.080 17668 3999 1 11 . 1 1 34 34 ALA H H 39 9.014 9.014 8.494 0.520 17668 4000 1 11 . 1 1 35 35 SER N N 40 113.711 113.711 113.512 0.199 17668 4001 1 11 . 1 1 35 35 SER HA H 40 4.855 4.855 4.691 0.164 17668 4002 1 11 . 1 1 35 35 SER C C 40 173.824 173.824 172.996 0.828 17668 4003 1 11 . 1 1 35 35 SER CA C 40 56.254 56.254 58.743 -2.489 17668 4004 1 11 . 1 1 35 35 SER CB C 40 65.255 65.255 65.739 -0.484 17668 4005 1 11 . 1 1 35 35 SER H H 40 8.481 8.481 8.720 -0.239 17668 4006 1 11 . 1 1 36 36 VAL N N 41 129.570 129.570 125.076 4.494 17668 4007 1 11 . 1 1 36 36 VAL C C 41 175.204 175.204 176.062 -0.858 17668 4008 1 11 . 1 1 36 36 VAL CA C 41 60.265 60.265 62.139 -1.874 17668 4009 1 11 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.892 0.851 17668 4010 1 11 . 1 1 36 36 VAL H H 41 10.164 10.164 8.760 1.404 17668 4011 1 11 . 1 1 37 37 THR N N 42 123.008 123.008 124.379 -1.371 17668 4012 1 11 . 1 1 37 37 THR HA H 42 4.392 4.392 4.618 -0.226 17668 4013 1 11 . 1 1 37 37 THR C C 42 175.030 175.030 174.620 0.410 17668 4014 1 11 . 1 1 37 37 THR CA C 42 60.760 60.760 61.163 -0.403 17668 4015 1 11 . 1 1 37 37 THR CB C 42 69.255 69.255 69.007 0.248 17668 4016 1 11 . 1 1 37 37 THR H H 42 8.453 8.453 8.884 -0.431 17668 4017 1 11 . 1 1 38 38 VAL N N 43 128.476 128.476 126.990 1.486 17668 4018 1 11 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.619 -0.317 17668 4019 1 11 . 1 1 38 38 VAL C C 43 176.067 176.067 177.431 -1.364 17668 4020 1 11 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.579 -2.311 17668 4021 1 11 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.850 0.377 17668 4022 1 11 . 1 1 38 38 VAL H H 43 8.789 8.789 8.636 0.153 17668 4023 1 11 . 1 1 39 39 ALA N N 44 119.180 119.180 118.499 0.681 17668 4024 1 11 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.106 -0.122 17668 4025 1 11 . 1 1 39 39 ALA C C 44 179.167 179.167 178.021 1.146 17668 4026 1 11 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.244 0.981 17668 4027 1 11 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.706 0.290 17668 4028 1 11 . 1 1 39 39 ALA H H 44 8.509 8.509 8.541 -0.032 17668 4029 1 11 . 1 1 40 40 THR N N 45 135.586 135.586 106.367 29.219 17668 4030 1 11 . 1 1 40 40 THR HA H 45 4.338 4.338 4.388 -0.050 17668 4031 1 11 . 1 1 40 40 THR C C 45 176.237 176.237 175.665 0.572 17668 4032 1 11 . 1 1 40 40 THR CA C 45 60.254 60.254 61.893 -1.639 17668 4033 1 11 . 1 1 40 40 THR CB C 45 70.261 70.261 72.060 -1.799 17668 4034 1 11 . 1 1 40 40 THR H H 45 6.713 6.713 7.403 -0.690 17668 4035 1 11 . 1 1 41 41 GLY N N 46 110.977 110.977 112.114 -1.137 17668 4036 1 11 . 1 1 41 41 GLY C C 46 172.096 172.096 172.846 -0.750 17668 4037 1 11 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.348 0.877 17668 4038 1 11 . 1 1 41 41 GLY H H 46 7.835 7.835 8.158 -0.323 17668 4039 1 11 . 1 1 42 42 ARG N N 47 118.086 118.086 118.924 -0.838 17668 4040 1 11 . 1 1 42 42 ARG C C 47 175.032 175.032 173.828 1.204 17668 4041 1 11 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.555 1.695 17668 4042 1 11 . 1 1 42 42 ARG CB C 47 31.739 31.739 35.255 -3.516 17668 4043 1 11 . 1 1 42 42 ARG H H 47 7.303 7.303 8.249 -0.946 17668 4044 1 11 . 1 1 43 43 LEU N N 48 129.023 129.023 120.737 8.286 17668 4045 1 11 . 1 1 43 43 LEU HA H 48 5.019 5.019 4.912 0.107 17668 4046 1 11 . 1 1 43 43 LEU C C 48 175.033 175.033 174.413 0.620 17668 4047 1 11 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.915 -0.665 17668 4048 1 11 . 1 1 43 43 LEU CB C 48 45.081 45.081 47.161 -2.080 17668 4049 1 11 . 1 1 43 43 LEU H H 48 8.986 8.986 8.888 0.098 17668 4050 1 11 . 1 1 44 44 THR N N 49 123.008 123.008 120.461 2.547 17668 4051 1 11 . 1 1 44 44 THR HA H 49 4.964 4.964 5.372 -0.408 17668 4052 1 11 . 1 1 44 44 THR C C 49 173.475 173.475 172.710 0.765 17668 4053 1 11 . 1 1 44 44 THR CA C 49 61.752 61.752 61.723 0.029 17668 4054 1 11 . 1 1 44 44 THR CB C 49 69.756 69.756 70.772 -1.016 17668 4055 1 11 . 1 1 44 44 THR H H 49 9.154 9.154 8.646 0.508 17668 4056 1 11 . 1 1 45 45 VAL N N 50 125.195 125.195 125.709 -0.514 17668 4057 1 11 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.754 0.428 17668 4058 1 11 . 1 1 45 45 VAL C C 50 172.614 172.614 173.396 -0.782 17668 4059 1 11 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.441 -1.679 17668 4060 1 11 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.782 -0.330 17668 4061 1 11 . 1 1 45 45 VAL H H 50 9.071 9.071 9.164 -0.093 17668 4062 1 11 . 1 1 46 46 THR N N 51 124.648 124.648 125.000 -0.352 17668 4063 1 11 . 1 1 46 46 THR HA H 51 5.782 5.782 4.892 0.890 17668 4064 1 11 . 1 1 46 46 THR C C 51 174.684 174.684 173.626 1.058 17668 4065 1 11 . 1 1 46 46 THR CA C 51 61.248 61.248 61.771 -0.523 17668 4066 1 11 . 1 1 46 46 THR CB C 51 70.265 70.265 68.889 1.376 17668 4067 1 11 . 1 1 46 46 THR H H 51 8.930 8.930 9.046 -0.116 17668 4068 1 11 . 1 1 47 47 TYR N N 52 124.648 124.648 124.623 0.025 17668 4069 1 11 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.442 -0.151 17668 4070 1 11 . 1 1 47 47 TYR C C 52 171.408 171.408 173.217 -1.809 17668 4071 1 11 . 1 1 47 47 TYR CA C 52 55.245 55.245 54.463 0.782 17668 4072 1 11 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.070 0.684 17668 4073 1 11 . 1 1 47 47 TYR H H 52 9.603 9.603 8.110 1.493 17668 4074 1 11 . 1 1 48 48 ASP N N 53 119.180 119.180 120.871 -1.691 17668 4075 1 11 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.130 -0.165 17668 4076 1 11 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.970 -0.961 17668 4077 1 11 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.232 -1.674 17668 4078 1 11 . 1 1 48 48 ASP H H 53 8.481 8.481 8.226 0.255 17668 4079 1 11 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.915 0.458 17668 4080 1 11 . 1 1 49 49 PRO C C 54 178.311 178.311 176.702 1.609 17668 4081 1 11 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.983 -0.721 17668 4082 1 11 . 1 1 49 49 PRO CB C 54 32.243 32.243 32.016 0.227 17668 4083 1 11 . 1 1 50 50 LYS N N 55 116.992 116.992 118.539 -1.547 17668 4084 1 11 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.403 -0.283 17668 4085 1 11 . 1 1 50 50 LYS C C 55 177.802 177.802 178.115 -0.313 17668 4086 1 11 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.992 0.734 17668 4087 1 11 . 1 1 50 50 LYS CB C 55 31.865 31.865 34.083 -2.218 17668 4088 1 11 . 1 1 50 50 LYS H H 55 8.284 8.284 8.434 -0.150 17668 4089 1 11 . 1 1 51 51 GLN N N 56 115.352 115.352 118.208 -2.856 17668 4090 1 11 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.159 0.152 17668 4091 1 11 . 1 1 51 51 GLN C C 56 175.031 175.031 176.249 -1.218 17668 4092 1 11 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.639 -1.883 17668 4093 1 11 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.232 3.521 17668 4094 1 11 . 1 1 51 51 GLN H H 56 7.864 7.864 8.846 -0.982 17668 4095 1 11 . 1 1 52 52 VAL N N 57 120.273 120.273 110.034 10.239 17668 4096 1 11 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.471 -0.078 17668 4097 1 11 . 1 1 52 52 VAL C C 57 170.718 170.718 173.484 -2.766 17668 4098 1 11 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.637 0.135 17668 4099 1 11 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.566 -0.338 17668 4100 1 11 . 1 1 52 52 VAL H H 57 8.172 8.172 7.756 0.416 17668 4101 1 11 . 1 1 53 53 SER N N 58 116.992 116.992 113.503 3.489 17668 4102 1 11 . 1 1 53 53 SER C C 58 175.377 175.377 175.253 0.124 17668 4103 1 11 . 1 1 53 53 SER CA C 58 55.251 55.251 56.864 -1.613 17668 4104 1 11 . 1 1 53 53 SER CB C 58 66.750 66.750 65.706 1.044 17668 4105 1 11 . 1 1 53 53 SER H H 58 7.611 7.611 7.868 -0.257 17668 4106 1 11 . 1 1 54 54 GLU N N 59 120.820 120.820 120.794 0.026 17668 4107 1 11 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.966 -0.608 17668 4108 1 11 . 1 1 54 54 GLU C C 59 178.308 178.308 178.234 0.074 17668 4109 1 11 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.316 1.427 17668 4110 1 11 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.490 0.750 17668 4111 1 11 . 1 1 54 54 GLU H H 59 8.930 8.930 8.738 0.192 17668 4112 1 11 . 1 1 55 55 ILE N N 60 118.086 118.086 119.897 -1.811 17668 4113 1 11 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.756 -0.018 17668 4114 1 11 . 1 1 55 55 ILE C C 60 177.448 177.448 178.153 -0.705 17668 4115 1 11 . 1 1 55 55 ILE CA C 60 63.749 63.749 63.611 0.138 17668 4116 1 11 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.761 0.754 17668 4117 1 11 . 1 1 55 55 ILE H H 60 7.583 7.583 7.581 0.002 17668 4118 1 11 . 1 1 56 56 THR N N 61 119.727 119.727 114.152 5.575 17668 4119 1 11 . 1 1 56 56 THR HA H 61 3.766 3.766 4.077 -0.311 17668 4120 1 11 . 1 1 56 56 THR C C 61 177.104 177.104 175.490 1.614 17668 4121 1 11 . 1 1 56 56 THR CA C 61 66.264 66.264 65.950 0.314 17668 4122 1 11 . 1 1 56 56 THR CB C 61 68.245 68.245 68.991 -0.746 17668 4123 1 11 . 1 1 56 56 THR H H 61 7.471 7.471 7.651 -0.180 17668 4124 1 11 . 1 1 57 57 ILE N N 62 121.367 121.367 118.221 3.146 17668 4125 1 11 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.296 -1.265 17668 4126 1 11 . 1 1 57 57 ILE C C 62 176.756 176.756 176.038 0.718 17668 4127 1 11 . 1 1 57 57 ILE CA C 62 65.760 65.760 60.822 4.938 17668 4128 1 11 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.983 -0.731 17668 4129 1 11 . 1 1 57 57 ILE H H 62 7.259 7.259 7.680 -0.421 17668 4130 1 11 . 1 1 58 58 GLN N N 63 117.539 117.539 122.113 -4.574 17668 4131 1 11 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.829 -0.227 17668 4132 1 11 . 1 1 58 58 GLN C C 63 179.172 179.172 177.922 1.250 17668 4133 1 11 . 1 1 58 58 GLN CA C 63 59.755 59.755 60.530 -0.775 17668 4134 1 11 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.822 -1.088 17668 4135 1 11 . 1 1 58 58 GLN H H 63 7.976 7.976 8.837 -0.861 17668 4136 1 11 . 1 1 59 59 GLU N N 64 119.180 119.180 118.004 1.176 17668 4137 1 11 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.026 -0.152 17668 4138 1 11 . 1 1 59 59 GLU C C 64 179.866 179.866 178.897 0.969 17668 4139 1 11 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.232 0.027 17668 4140 1 11 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.036 0.664 17668 4141 1 11 . 1 1 59 59 GLU H H 64 8.622 8.622 8.025 0.597 17668 4142 1 11 . 1 1 60 60 ARG N N 65 119.727 119.727 121.047 -1.320 17668 4143 1 11 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.127 -0.034 17668 4144 1 11 . 1 1 60 60 ARG C C 65 178.310 178.310 178.489 -0.179 17668 4145 1 11 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.238 -0.982 17668 4146 1 11 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.403 -0.655 17668 4147 1 11 . 1 1 60 60 ARG H H 65 7.891 7.891 8.053 -0.162 17668 4148 1 11 . 1 1 61 61 ILE N N 66 118.086 118.086 119.529 -1.443 17668 4149 1 11 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.776 -0.229 17668 4150 1 11 . 1 1 61 61 ILE C C 66 178.311 178.311 177.558 0.753 17668 4151 1 11 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.090 -0.345 17668 4152 1 11 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.851 -0.170 17668 4153 1 11 . 1 1 61 61 ILE H H 66 7.443 7.443 8.096 -0.653 17668 4154 1 11 . 1 1 62 62 ALA N N 67 121.914 121.914 122.099 -0.185 17668 4155 1 11 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.445 0.084 17668 4156 1 11 . 1 1 62 62 ALA C C 67 182.626 182.626 180.271 2.355 17668 4157 1 11 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.598 -0.348 17668 4158 1 11 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.424 -0.688 17668 4159 1 11 . 1 1 62 62 ALA H H 67 8.116 8.116 8.296 -0.180 17668 4160 1 11 . 1 1 63 63 ALA N N 68 121.367 121.367 121.465 -0.098 17668 4161 1 11 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.134 -0.122 17668 4162 1 11 . 1 1 63 63 ALA C C 68 179.690 179.690 179.096 0.594 17668 4163 1 11 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.163 0.095 17668 4164 1 11 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.516 -0.295 17668 4165 1 11 . 1 1 63 63 ALA H H 68 7.948 7.948 7.825 0.123 17668 4166 1 11 . 1 1 64 64 LEU N N 69 116.445 116.445 116.489 -0.044 17668 4167 1 11 . 1 1 64 64 LEU HA H 69 4.147 4.147 3.948 0.199 17668 4168 1 11 . 1 1 64 64 LEU C C 69 176.931 176.931 177.112 -0.181 17668 4169 1 11 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.963 0.282 17668 4170 1 11 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.707 1.534 17668 4171 1 11 . 1 1 64 64 LEU H H 69 7.247 7.247 7.429 -0.182 17668 4172 1 11 . 1 1 65 65 GLY N N 70 103.867 103.867 104.771 -0.904 17668 4173 1 11 . 1 1 65 65 GLY C C 70 173.651 173.651 174.673 -1.022 17668 4174 1 11 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.878 -0.406 17668 4175 1 11 . 1 1 65 65 GLY H H 70 7.668 7.668 7.492 0.176 17668 4176 1 11 . 1 1 66 66 TYR N N 71 119.180 119.180 119.980 -0.800 17668 4177 1 11 . 1 1 66 66 TYR C C 71 174.513 174.513 175.366 -0.853 17668 4178 1 11 . 1 1 66 66 TYR CA C 71 57.020 57.020 55.344 1.676 17668 4179 1 11 . 1 1 66 66 TYR CB C 71 39.502 39.502 39.754 -0.252 17668 4180 1 11 . 1 1 66 66 TYR H H 71 6.798 6.798 7.202 -0.404 17668 4181 1 11 . 1 1 67 67 THR N N 72 109.883 109.883 111.227 -1.344 17668 4182 1 11 . 1 1 67 67 THR C C 72 173.998 173.998 173.644 0.354 17668 4183 1 11 . 1 1 67 67 THR CA C 72 60.249 60.249 61.208 -0.959 17668 4184 1 11 . 1 1 67 67 THR CB C 72 71.254 71.254 70.694 0.560 17668 4185 1 11 . 1 1 67 67 THR H H 72 8.144 8.144 8.661 -0.517 17668 4186 1 11 . 1 1 68 68 LEU N N 73 122.461 122.461 124.231 -1.770 17668 4187 1 11 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.531 0.515 17668 4188 1 11 . 1 1 68 68 LEU C C 73 174.168 174.168 175.465 -1.297 17668 4189 1 11 . 1 1 68 68 LEU CA C 73 53.252 53.252 54.812 -1.560 17668 4190 1 11 . 1 1 68 68 LEU CB C 73 43.743 43.743 43.132 0.611 17668 4191 1 11 . 1 1 68 68 LEU H H 73 8.397 8.397 8.818 -0.421 17668 4192 1 11 . 1 1 69 69 ALA N N 74 125.195 125.195 124.003 1.192 17668 4193 1 11 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.654 -0.316 17668 4194 1 11 . 1 1 69 69 ALA C C 74 176.931 176.931 175.980 0.951 17668 4195 1 11 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.720 3.534 17668 4196 1 11 . 1 1 69 69 ALA CB C 74 18.225 18.225 19.893 -1.668 17668 4197 1 11 . 1 1 69 69 ALA H H 74 8.200 8.200 8.540 -0.340 17668 4198 1 11 . 1 1 70 70 GLU N N 75 120.820 120.820 124.253 -3.433 17668 4199 1 11 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.794 -0.320 17668 4200 1 11 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.164 2.294 17668 4201 1 11 . 1 1 70 70 GLU CB C 75 29.591 29.591 30.826 -1.235 17668 4202 1 11 . 1 1 70 70 GLU H H 75 8.397 8.397 8.524 -0.127 17668 4203 1 12 . 1 1 2 2 LEU N N 7 119.727 119.727 120.449 -0.722 17668 4204 1 12 . 1 1 2 2 LEU HA H 7 4.338 4.338 5.201 -0.863 17668 4205 1 12 . 1 1 2 2 LEU C C 7 176.410 176.410 175.827 0.583 17668 4206 1 12 . 1 1 2 2 LEU CA C 7 54.010 54.010 53.645 0.365 17668 4207 1 12 . 1 1 2 2 LEU CB C 7 43.226 43.226 45.241 -2.015 17668 4208 1 12 . 1 1 2 2 LEU H H 7 7.919 7.919 8.119 -0.200 17668 4209 1 12 . 1 1 3 3 LYS N N 8 123.008 123.008 119.941 3.067 17668 4210 1 12 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.658 -0.293 17668 4211 1 12 . 1 1 3 3 LYS C C 8 174.512 174.512 175.684 -1.172 17668 4212 1 12 . 1 1 3 3 LYS CA C 8 54.741 54.741 55.367 -0.626 17668 4213 1 12 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.569 0.154 17668 4214 1 12 . 1 1 3 3 LYS H H 8 8.650 8.650 8.332 0.318 17668 4215 1 12 . 1 1 4 4 THR N N 9 120.273 120.273 118.265 2.008 17668 4216 1 12 . 1 1 4 4 THR HA H 9 5.372 5.372 4.770 0.602 17668 4217 1 12 . 1 1 4 4 THR C C 9 174.170 174.170 174.288 -0.118 17668 4218 1 12 . 1 1 4 4 THR CA C 9 61.756 61.756 62.405 -0.649 17668 4219 1 12 . 1 1 4 4 THR CB C 9 70.757 70.757 69.804 0.953 17668 4220 1 12 . 1 1 4 4 THR H H 9 8.481 8.481 8.361 0.120 17668 4221 1 12 . 1 1 5 5 GLN N N 10 126.836 126.836 123.222 3.614 17668 4222 1 12 . 1 1 5 5 GLN C C 10 173.651 173.651 173.732 -0.081 17668 4223 1 12 . 1 1 5 5 GLN CA C 10 54.236 54.236 54.991 -0.755 17668 4224 1 12 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.372 2.112 17668 4225 1 12 . 1 1 5 5 GLN H H 10 9.295 9.295 8.588 0.707 17668 4226 1 12 . 1 1 6 6 GLN N N 11 121.367 121.367 123.436 -2.069 17668 4227 1 12 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.313 0.333 17668 4228 1 12 . 1 1 6 6 GLN C C 11 176.069 176.069 175.467 0.602 17668 4229 1 12 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.577 -0.817 17668 4230 1 12 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.977 -0.740 17668 4231 1 12 . 1 1 6 6 GLN H H 11 8.425 8.425 8.760 -0.335 17668 4232 1 12 . 1 1 7 7 MET N N 12 120.273 120.273 116.941 3.332 17668 4233 1 12 . 1 1 7 7 MET C C 12 173.824 173.824 174.163 -0.339 17668 4234 1 12 . 1 1 7 7 MET CA C 12 54.598 54.598 54.366 0.232 17668 4235 1 12 . 1 1 7 7 MET CB C 12 37.258 37.258 36.975 0.283 17668 4236 1 12 . 1 1 7 7 MET H H 12 9.294 9.294 8.726 0.568 17668 4237 1 12 . 1 1 8 8 GLN N N 13 122.461 122.461 120.096 2.365 17668 4238 1 12 . 1 1 8 8 GLN C C 13 174.863 174.863 174.373 0.490 17668 4239 1 12 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.661 0.092 17668 4240 1 12 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.984 -0.741 17668 4241 1 12 . 1 1 8 8 GLN H H 13 8.790 8.790 8.651 0.139 17668 4242 1 12 . 1 1 9 9 VAL N N 14 126.289 126.289 121.243 5.046 17668 4243 1 12 . 1 1 9 9 VAL C C 14 176.586 176.586 174.755 1.831 17668 4244 1 12 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.760 0.495 17668 4245 1 12 . 1 1 9 9 VAL CB C 14 33.467 33.467 34.583 -1.116 17668 4246 1 12 . 1 1 9 9 VAL H H 14 8.930 8.930 8.515 0.415 17668 4247 1 12 . 1 1 10 10 GLY N N 15 117.539 117.539 116.321 1.218 17668 4248 1 12 . 1 1 10 10 GLY C C 15 173.997 173.997 173.644 0.353 17668 4249 1 12 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.868 -0.623 17668 4250 1 12 . 1 1 10 10 GLY H H 15 9.351 9.351 8.895 0.456 17668 4251 1 12 . 1 1 11 11 GLY N N 16 107.149 107.149 111.058 -3.909 17668 4252 1 12 . 1 1 11 11 GLY C C 16 176.067 176.067 174.534 1.533 17668 4253 1 12 . 1 1 11 11 GLY CA C 16 45.256 45.256 44.926 0.330 17668 4254 1 12 . 1 1 11 11 GLY H H 16 8.284 8.284 7.693 0.591 17668 4255 1 12 . 1 1 12 12 MET N N 17 118.633 118.633 119.622 -0.989 17668 4256 1 12 . 1 1 12 12 MET C C 17 177.102 177.102 176.250 0.852 17668 4257 1 12 . 1 1 12 12 MET CA C 17 57.740 57.740 57.320 0.420 17668 4258 1 12 . 1 1 12 12 MET CB C 17 34.243 34.243 32.567 1.676 17668 4259 1 12 . 1 1 12 12 MET H H 17 8.509 8.509 7.470 1.039 17668 4260 1 12 . 1 1 13 13 ARG N N 18 126.836 126.836 115.154 11.682 17668 4261 1 12 . 1 1 13 13 ARG C C 18 175.032 175.032 176.111 -1.079 17668 4262 1 12 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.804 0.435 17668 4263 1 12 . 1 1 13 13 ARG CB C 18 32.744 32.744 28.216 4.528 17668 4264 1 12 . 1 1 13 13 ARG H H 18 10.782 10.782 8.106 2.676 17668 4265 1 12 . 1 1 14 14 CYS N N 19 114.805 114.805 117.957 -3.152 17668 4266 1 12 . 1 1 14 14 CYS CA C 19 56.217 56.217 57.423 -1.206 17668 4267 1 12 . 1 1 14 14 CYS CB C 19 30.413 30.413 28.840 1.573 17668 4268 1 12 . 1 1 14 14 CYS H H 19 8.425 8.425 7.314 1.111 17668 4269 1 12 . 1 1 15 15 ALA CA C 20 51.257 51.257 54.093 -2.837 17668 4270 1 12 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.400 0.847 17668 4271 1 12 . 1 1 16 16 ALA N N 21 118.906 118.906 118.311 0.595 17668 4272 1 12 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.405 -0.258 17668 4273 1 12 . 1 1 16 16 ALA C C 21 180.553 180.553 178.470 2.083 17668 4274 1 12 . 1 1 16 16 ALA CA C 21 54.756 54.756 51.985 2.771 17668 4275 1 12 . 1 1 16 16 ALA CB C 21 18.233 18.233 19.078 -0.845 17668 4276 1 12 . 1 1 17 17 CYS N N 22 121.914 121.914 119.656 2.258 17668 4277 1 12 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.166 -0.345 17668 4278 1 12 . 1 1 17 17 CYS C C 22 177.966 177.966 175.847 2.119 17668 4279 1 12 . 1 1 17 17 CYS CA C 22 64.748 64.748 60.944 3.804 17668 4280 1 12 . 1 1 17 17 CYS CB C 22 29.245 29.245 26.343 2.901 17668 4281 1 12 . 1 1 17 17 CYS H H 22 7.640 7.640 8.419 -0.779 17668 4282 1 12 . 1 1 18 18 ALA N N 23 119.180 119.180 121.595 -2.415 17668 4283 1 12 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.996 -0.393 17668 4284 1 12 . 1 1 18 18 ALA C C 23 179.173 179.173 179.042 0.131 17668 4285 1 12 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.831 0.427 17668 4286 1 12 . 1 1 18 18 ALA CB C 23 18.741 18.741 17.883 0.859 17668 4287 1 12 . 1 1 18 18 ALA H H 23 6.629 6.629 8.717 -2.088 17668 4288 1 12 . 1 1 19 19 SER N N 24 112.618 112.618 115.211 -2.593 17668 4289 1 12 . 1 1 19 19 SER HA H 24 4.147 4.147 4.156 -0.009 17668 4290 1 12 . 1 1 19 19 SER C C 24 176.764 176.764 176.623 0.141 17668 4291 1 12 . 1 1 19 19 SER CA C 24 61.259 61.259 61.524 -0.265 17668 4292 1 12 . 1 1 19 19 SER CB C 24 62.754 62.754 63.435 -0.681 17668 4293 1 12 . 1 1 19 19 SER H H 24 7.752 7.752 8.170 -0.418 17668 4294 1 12 . 1 1 20 20 SER N N 25 116.992 116.992 119.333 -2.341 17668 4295 1 12 . 1 1 20 20 SER HA H 25 3.521 3.521 4.181 -0.660 17668 4296 1 12 . 1 1 20 20 SER C C 25 177.448 177.448 176.430 1.018 17668 4297 1 12 . 1 1 20 20 SER CA C 25 61.870 61.870 61.566 0.303 17668 4298 1 12 . 1 1 20 20 SER CB C 25 62.751 62.751 63.065 -0.314 17668 4299 1 12 . 1 1 20 20 SER H H 25 7.989 7.989 7.991 -0.002 17668 4300 1 12 . 1 1 21 21 ILE N N 26 122.461 122.461 122.739 -0.278 17668 4301 1 12 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.806 -0.476 17668 4302 1 12 . 1 1 21 21 ILE C C 26 176.930 176.930 177.193 -0.263 17668 4303 1 12 . 1 1 21 21 ILE CA C 26 66.255 66.255 65.568 0.687 17668 4304 1 12 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.014 0.223 17668 4305 1 12 . 1 1 21 21 ILE H H 26 7.583 7.583 8.459 -0.876 17668 4306 1 12 . 1 1 22 22 GLU N N 27 116.992 116.992 119.433 -2.441 17668 4307 1 12 . 1 1 22 22 GLU HA H 27 3.466 3.466 4.087 -0.621 17668 4308 1 12 . 1 1 22 22 GLU C C 27 178.916 178.916 178.914 0.002 17668 4309 1 12 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.205 1.548 17668 4310 1 12 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.888 -0.181 17668 4311 1 12 . 1 1 22 22 GLU H H 27 8.004 8.004 7.676 0.328 17668 4312 1 12 . 1 1 23 23 ARG N N 28 114.805 114.805 116.856 -2.051 17668 4313 1 12 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.163 -0.207 17668 4314 1 12 . 1 1 23 23 ARG C C 28 179.517 179.517 177.359 2.158 17668 4315 1 12 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.662 0.090 17668 4316 1 12 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.150 0.596 17668 4317 1 12 . 1 1 23 23 ARG H H 28 8.256 8.256 8.259 -0.003 17668 4318 1 12 . 1 1 24 24 ALA N N 29 118.633 118.633 121.040 -2.407 17668 4319 1 12 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.353 -0.396 17668 4320 1 12 . 1 1 24 24 ALA C C 29 181.073 181.073 178.882 2.191 17668 4321 1 12 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.690 1.059 17668 4322 1 12 . 1 1 24 24 ALA CB C 29 18.729 18.729 19.578 -0.849 17668 4323 1 12 . 1 1 24 24 ALA H H 29 7.555 7.555 7.418 0.137 17668 4324 1 12 . 1 1 25 25 LEU N N 30 115.899 115.899 119.630 -3.731 17668 4325 1 12 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.284 -0.300 17668 4326 1 12 . 1 1 25 25 LEU C C 30 178.658 178.658 176.604 2.054 17668 4327 1 12 . 1 1 25 25 LEU CA C 30 57.221 57.221 55.586 1.635 17668 4328 1 12 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.927 -0.679 17668 4329 1 12 . 1 1 25 25 LEU H H 30 7.976 7.976 8.223 -0.247 17668 4330 1 12 . 1 1 26 26 GLU N N 31 115.899 115.899 114.337 1.562 17668 4331 1 12 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.263 -0.525 17668 4332 1 12 . 1 1 26 26 GLU C C 31 177.793 177.793 177.080 0.713 17668 4333 1 12 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.134 1.593 17668 4334 1 12 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.422 -0.182 17668 4335 1 12 . 1 1 26 26 GLU H H 31 8.116 8.116 8.231 -0.115 17668 4336 1 12 . 1 1 27 27 ARG N N 32 114.258 114.258 118.469 -4.211 17668 4337 1 12 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.487 -0.340 17668 4338 1 12 . 1 1 27 27 ARG C C 32 176.757 176.757 176.821 -0.064 17668 4339 1 12 . 1 1 27 27 ARG CA C 32 56.250 56.250 56.902 -0.652 17668 4340 1 12 . 1 1 27 27 ARG CB C 32 30.744 30.744 32.421 -1.677 17668 4341 1 12 . 1 1 27 27 ARG H H 32 6.854 6.854 8.080 -1.226 17668 4342 1 12 . 1 1 28 28 LEU N N 33 123.008 123.008 119.694 3.314 17668 4343 1 12 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.531 -0.329 17668 4344 1 12 . 1 1 28 28 LEU C C 33 176.412 176.412 176.111 0.301 17668 4345 1 12 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.086 -0.837 17668 4346 1 12 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.536 -0.797 17668 4347 1 12 . 1 1 28 28 LEU H H 33 7.501 7.501 7.943 -0.442 17668 4348 1 12 . 1 1 29 29 LYS N N 34 127.383 127.383 120.493 6.890 17668 4349 1 12 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.061 -0.187 17668 4350 1 12 . 1 1 29 29 LYS C C 34 176.412 176.412 176.482 -0.070 17668 4351 1 12 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.274 1.968 17668 4352 1 12 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.959 -1.213 17668 4353 1 12 . 1 1 29 29 LYS H H 34 8.341 8.341 8.716 -0.375 17668 4354 1 12 . 1 1 30 30 GLY N N 35 111.524 111.524 112.759 -1.235 17668 4355 1 12 . 1 1 30 30 GLY C C 35 175.715 175.715 173.629 2.086 17668 4356 1 12 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.118 0.370 17668 4357 1 12 . 1 1 30 30 GLY H H 35 8.509 8.509 8.805 -0.296 17668 4358 1 12 . 1 1 31 31 VAL N N 36 122.461 122.461 122.083 0.378 17668 4359 1 12 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.544 -0.670 17668 4360 1 12 . 1 1 31 31 VAL C C 36 175.032 175.032 175.050 -0.018 17668 4361 1 12 . 1 1 31 31 VAL CA C 36 63.757 63.757 61.767 1.990 17668 4362 1 12 . 1 1 31 31 VAL CB C 36 31.250 31.250 33.343 -2.093 17668 4363 1 12 . 1 1 31 31 VAL H H 36 7.892 7.892 8.002 -0.110 17668 4364 1 12 . 1 1 32 32 ALA N N 37 131.758 131.758 130.962 0.796 17668 4365 1 12 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.509 -0.144 17668 4366 1 12 . 1 1 32 32 ALA C C 37 177.619 177.619 176.961 0.658 17668 4367 1 12 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.718 0.528 17668 4368 1 12 . 1 1 32 32 ALA CB C 37 20.722 20.722 20.259 0.463 17668 4369 1 12 . 1 1 32 32 ALA H H 37 9.042 9.042 8.810 0.232 17668 4370 1 12 . 1 1 33 33 GLU N N 38 114.258 114.258 117.600 -3.342 17668 4371 1 12 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.488 0.013 17668 4372 1 12 . 1 1 33 33 GLU C C 38 173.651 173.651 173.862 -0.211 17668 4373 1 12 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.944 -1.367 17668 4374 1 12 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.071 1.595 17668 4375 1 12 . 1 1 33 33 GLU H H 38 7.555 7.555 7.570 -0.015 17668 4376 1 12 . 1 1 34 34 ALA N N 39 125.742 125.742 126.681 -0.939 17668 4377 1 12 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.139 -0.038 17668 4378 1 12 . 1 1 34 34 ALA C C 39 175.033 175.033 175.707 -0.674 17668 4379 1 12 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.332 -0.052 17668 4380 1 12 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.161 1.076 17668 4381 1 12 . 1 1 34 34 ALA H H 39 9.014 9.014 8.449 0.565 17668 4382 1 12 . 1 1 35 35 SER N N 40 113.711 113.711 114.939 -1.228 17668 4383 1 12 . 1 1 35 35 SER HA H 40 4.855 4.855 4.779 0.076 17668 4384 1 12 . 1 1 35 35 SER C C 40 173.824 173.824 172.351 1.473 17668 4385 1 12 . 1 1 35 35 SER CA C 40 56.254 56.254 57.889 -1.635 17668 4386 1 12 . 1 1 35 35 SER CB C 40 65.255 65.255 66.413 -1.158 17668 4387 1 12 . 1 1 35 35 SER H H 40 8.481 8.481 8.866 -0.385 17668 4388 1 12 . 1 1 36 36 VAL N N 41 129.570 129.570 120.066 9.504 17668 4389 1 12 . 1 1 36 36 VAL C C 41 175.204 175.204 175.551 -0.347 17668 4390 1 12 . 1 1 36 36 VAL CA C 41 60.265 60.265 60.024 0.241 17668 4391 1 12 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.931 0.812 17668 4392 1 12 . 1 1 36 36 VAL H H 41 10.164 10.164 8.446 1.718 17668 4393 1 12 . 1 1 37 37 THR N N 42 123.008 123.008 122.427 0.581 17668 4394 1 12 . 1 1 37 37 THR HA H 42 4.392 4.392 4.717 -0.325 17668 4395 1 12 . 1 1 37 37 THR C C 42 175.030 175.030 174.453 0.577 17668 4396 1 12 . 1 1 37 37 THR CA C 42 60.760 60.760 62.220 -1.460 17668 4397 1 12 . 1 1 37 37 THR CB C 42 69.255 69.255 69.976 -0.721 17668 4398 1 12 . 1 1 37 37 THR H H 42 8.453 8.453 8.846 -0.393 17668 4399 1 12 . 1 1 38 38 VAL N N 43 128.476 128.476 127.122 1.354 17668 4400 1 12 . 1 1 38 38 VAL HA H 43 3.302 3.302 4.039 -0.737 17668 4401 1 12 . 1 1 38 38 VAL C C 43 176.067 176.067 176.927 -0.860 17668 4402 1 12 . 1 1 38 38 VAL CA C 43 63.268 63.268 63.999 -0.731 17668 4403 1 12 . 1 1 38 38 VAL CB C 43 32.227 32.227 32.092 0.135 17668 4404 1 12 . 1 1 38 38 VAL H H 43 8.789 8.789 8.687 0.102 17668 4405 1 12 . 1 1 39 39 ALA N N 44 119.180 119.180 123.593 -4.413 17668 4406 1 12 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.182 -0.198 17668 4407 1 12 . 1 1 39 39 ALA C C 44 179.167 179.167 178.717 0.450 17668 4408 1 12 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.461 0.764 17668 4409 1 12 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.115 0.880 17668 4410 1 12 . 1 1 39 39 ALA H H 44 8.509 8.509 8.207 0.302 17668 4411 1 12 . 1 1 40 40 THR N N 45 135.586 135.586 105.757 29.829 17668 4412 1 12 . 1 1 40 40 THR HA H 45 4.338 4.338 4.344 -0.006 17668 4413 1 12 . 1 1 40 40 THR C C 45 176.237 176.237 174.724 1.513 17668 4414 1 12 . 1 1 40 40 THR CA C 45 60.254 60.254 61.302 -1.048 17668 4415 1 12 . 1 1 40 40 THR CB C 45 70.261 70.261 69.605 0.657 17668 4416 1 12 . 1 1 40 40 THR H H 45 6.713 6.713 7.771 -1.058 17668 4417 1 12 . 1 1 41 41 GLY N N 46 110.977 110.977 111.553 -0.576 17668 4418 1 12 . 1 1 41 41 GLY C C 46 172.096 172.096 172.836 -0.740 17668 4419 1 12 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.179 1.046 17668 4420 1 12 . 1 1 41 41 GLY H H 46 7.835 7.835 7.740 0.095 17668 4421 1 12 . 1 1 42 42 ARG N N 47 118.086 118.086 118.342 -0.256 17668 4422 1 12 . 1 1 42 42 ARG C C 47 175.032 175.032 173.393 1.639 17668 4423 1 12 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.484 1.766 17668 4424 1 12 . 1 1 42 42 ARG CB C 47 31.739 31.739 33.512 -1.773 17668 4425 1 12 . 1 1 42 42 ARG H H 47 7.303 7.303 8.279 -0.976 17668 4426 1 12 . 1 1 43 43 LEU N N 48 129.023 129.023 120.860 8.163 17668 4427 1 12 . 1 1 43 43 LEU HA H 48 5.019 5.019 4.995 0.024 17668 4428 1 12 . 1 1 43 43 LEU C C 48 175.033 175.033 175.501 -0.468 17668 4429 1 12 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.249 0.001 17668 4430 1 12 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.504 -1.423 17668 4431 1 12 . 1 1 43 43 LEU H H 48 8.986 8.986 8.754 0.232 17668 4432 1 12 . 1 1 44 44 THR N N 49 123.008 123.008 118.357 4.651 17668 4433 1 12 . 1 1 44 44 THR HA H 49 4.964 4.964 5.240 -0.276 17668 4434 1 12 . 1 1 44 44 THR C C 49 173.475 173.475 172.828 0.647 17668 4435 1 12 . 1 1 44 44 THR CA C 49 61.752 61.752 61.643 0.109 17668 4436 1 12 . 1 1 44 44 THR CB C 49 69.756 69.756 70.730 -0.974 17668 4437 1 12 . 1 1 44 44 THR H H 49 9.154 9.154 8.650 0.504 17668 4438 1 12 . 1 1 45 45 VAL N N 50 125.195 125.195 127.266 -2.071 17668 4439 1 12 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.762 0.420 17668 4440 1 12 . 1 1 45 45 VAL C C 50 172.614 172.614 173.385 -0.771 17668 4441 1 12 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.801 -2.039 17668 4442 1 12 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.438 -0.986 17668 4443 1 12 . 1 1 45 45 VAL H H 50 9.071 9.071 9.318 -0.247 17668 4444 1 12 . 1 1 46 46 THR N N 51 124.648 124.648 125.535 -0.887 17668 4445 1 12 . 1 1 46 46 THR HA H 51 5.782 5.782 5.319 0.463 17668 4446 1 12 . 1 1 46 46 THR C C 51 174.684 174.684 173.449 1.235 17668 4447 1 12 . 1 1 46 46 THR CA C 51 61.248 61.248 61.216 0.032 17668 4448 1 12 . 1 1 46 46 THR CB C 51 70.265 70.265 69.755 0.510 17668 4449 1 12 . 1 1 46 46 THR H H 51 8.930 8.930 8.855 0.075 17668 4450 1 12 . 1 1 47 47 TYR N N 52 124.648 124.648 123.070 1.578 17668 4451 1 12 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.435 -0.144 17668 4452 1 12 . 1 1 47 47 TYR C C 52 171.408 171.408 172.891 -1.483 17668 4453 1 12 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.397 -0.152 17668 4454 1 12 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.170 0.584 17668 4455 1 12 . 1 1 47 47 TYR H H 52 9.603 9.603 8.528 1.075 17668 4456 1 12 . 1 1 48 48 ASP N N 53 119.180 119.180 121.311 -2.131 17668 4457 1 12 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.184 -0.219 17668 4458 1 12 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.198 -0.189 17668 4459 1 12 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.526 -1.968 17668 4460 1 12 . 1 1 48 48 ASP H H 53 8.481 8.481 8.330 0.151 17668 4461 1 12 . 1 1 49 49 PRO HA H 54 5.373 5.373 5.183 0.190 17668 4462 1 12 . 1 1 49 49 PRO C C 54 178.311 178.311 176.901 1.410 17668 4463 1 12 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.687 -0.424 17668 4464 1 12 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.765 0.478 17668 4465 1 12 . 1 1 50 50 LYS N N 55 116.992 116.992 118.368 -1.376 17668 4466 1 12 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.419 -0.299 17668 4467 1 12 . 1 1 50 50 LYS C C 55 177.802 177.802 178.095 -0.293 17668 4468 1 12 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.857 0.869 17668 4469 1 12 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.388 -1.523 17668 4470 1 12 . 1 1 50 50 LYS H H 55 8.284 8.284 7.996 0.288 17668 4471 1 12 . 1 1 51 51 GLN N N 56 115.352 115.352 119.206 -3.854 17668 4472 1 12 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.214 0.097 17668 4473 1 12 . 1 1 51 51 GLN C C 56 175.031 175.031 176.586 -1.555 17668 4474 1 12 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.643 -1.887 17668 4475 1 12 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.121 3.631 17668 4476 1 12 . 1 1 51 51 GLN H H 56 7.864 7.864 8.714 -0.850 17668 4477 1 12 . 1 1 52 52 VAL N N 57 120.273 120.273 110.742 9.531 17668 4478 1 12 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.516 -0.123 17668 4479 1 12 . 1 1 52 52 VAL C C 57 170.718 170.718 173.858 -3.140 17668 4480 1 12 . 1 1 52 52 VAL CA C 57 59.772 59.772 60.342 -0.570 17668 4481 1 12 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.523 -0.295 17668 4482 1 12 . 1 1 52 52 VAL H H 57 8.172 8.172 8.026 0.146 17668 4483 1 12 . 1 1 53 53 SER N N 58 116.992 116.992 115.727 1.265 17668 4484 1 12 . 1 1 53 53 SER C C 58 175.377 175.377 174.710 0.667 17668 4485 1 12 . 1 1 53 53 SER CA C 58 55.251 55.251 57.459 -2.208 17668 4486 1 12 . 1 1 53 53 SER CB C 58 66.750 66.750 65.549 1.201 17668 4487 1 12 . 1 1 53 53 SER H H 58 7.611 7.611 8.307 -0.696 17668 4488 1 12 . 1 1 54 54 GLU N N 59 120.820 120.820 123.817 -2.997 17668 4489 1 12 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.868 -0.510 17668 4490 1 12 . 1 1 54 54 GLU C C 59 178.308 178.308 177.639 0.669 17668 4491 1 12 . 1 1 54 54 GLU CA C 59 59.743 59.743 59.257 0.486 17668 4492 1 12 . 1 1 54 54 GLU CB C 59 29.240 29.240 29.454 -0.214 17668 4493 1 12 . 1 1 54 54 GLU H H 59 8.930 8.930 8.815 0.115 17668 4494 1 12 . 1 1 55 55 ILE N N 60 118.086 118.086 119.313 -1.227 17668 4495 1 12 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.840 -0.102 17668 4496 1 12 . 1 1 55 55 ILE C C 60 177.448 177.448 178.392 -0.944 17668 4497 1 12 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.585 -0.836 17668 4498 1 12 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.982 0.533 17668 4499 1 12 . 1 1 55 55 ILE H H 60 7.583 7.583 8.111 -0.528 17668 4500 1 12 . 1 1 56 56 THR N N 61 119.727 119.727 114.809 4.918 17668 4501 1 12 . 1 1 56 56 THR HA H 61 3.766 3.766 4.063 -0.297 17668 4502 1 12 . 1 1 56 56 THR C C 61 177.104 177.104 176.702 0.402 17668 4503 1 12 . 1 1 56 56 THR CA C 61 66.264 66.264 66.739 -0.475 17668 4504 1 12 . 1 1 56 56 THR CB C 61 68.245 68.245 68.421 -0.176 17668 4505 1 12 . 1 1 56 56 THR H H 61 7.471 7.471 7.964 -0.493 17668 4506 1 12 . 1 1 57 57 ILE N N 62 121.367 121.367 121.997 -0.630 17668 4507 1 12 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.987 -0.957 17668 4508 1 12 . 1 1 57 57 ILE C C 62 176.756 176.756 176.439 0.317 17668 4509 1 12 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.214 3.546 17668 4510 1 12 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.893 0.358 17668 4511 1 12 . 1 1 57 57 ILE H H 62 7.259 7.259 7.470 -0.211 17668 4512 1 12 . 1 1 58 58 GLN N N 63 117.539 117.539 121.890 -4.351 17668 4513 1 12 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.817 -0.215 17668 4514 1 12 . 1 1 58 58 GLN C C 63 179.172 179.172 178.165 1.007 17668 4515 1 12 . 1 1 58 58 GLN CA C 63 59.755 59.755 60.056 -0.301 17668 4516 1 12 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.763 -1.029 17668 4517 1 12 . 1 1 58 58 GLN H H 63 7.976 7.976 8.660 -0.684 17668 4518 1 12 . 1 1 59 59 GLU N N 64 119.180 119.180 118.186 0.994 17668 4519 1 12 . 1 1 59 59 GLU HA H 64 3.874 3.874 3.941 -0.067 17668 4520 1 12 . 1 1 59 59 GLU C C 64 179.866 179.866 179.171 0.695 17668 4521 1 12 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.287 -0.028 17668 4522 1 12 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.306 0.394 17668 4523 1 12 . 1 1 59 59 GLU H H 64 8.622 8.622 8.428 0.194 17668 4524 1 12 . 1 1 60 60 ARG N N 65 119.727 119.727 120.014 -0.287 17668 4525 1 12 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.169 -0.076 17668 4526 1 12 . 1 1 60 60 ARG C C 65 178.310 178.310 178.516 -0.206 17668 4527 1 12 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.210 -0.954 17668 4528 1 12 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.596 -0.848 17668 4529 1 12 . 1 1 60 60 ARG H H 65 7.891 7.891 7.525 0.366 17668 4530 1 12 . 1 1 61 61 ILE N N 66 118.086 118.086 119.543 -1.457 17668 4531 1 12 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.831 -0.284 17668 4532 1 12 . 1 1 61 61 ILE C C 66 178.311 178.311 177.745 0.566 17668 4533 1 12 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.317 -0.571 17668 4534 1 12 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.968 -0.287 17668 4535 1 12 . 1 1 61 61 ILE H H 66 7.443 7.443 8.016 -0.573 17668 4536 1 12 . 1 1 62 62 ALA N N 67 121.914 121.914 122.254 -0.340 17668 4537 1 12 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.455 0.074 17668 4538 1 12 . 1 1 62 62 ALA C C 67 182.626 182.626 180.136 2.490 17668 4539 1 12 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.620 -0.370 17668 4540 1 12 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.330 -0.595 17668 4541 1 12 . 1 1 62 62 ALA H H 67 8.116 8.116 8.539 -0.423 17668 4542 1 12 . 1 1 63 63 ALA N N 68 121.367 121.367 121.840 -0.473 17668 4543 1 12 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.150 -0.138 17668 4544 1 12 . 1 1 63 63 ALA C C 68 179.690 179.690 179.219 0.471 17668 4545 1 12 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.198 0.061 17668 4546 1 12 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.554 -0.333 17668 4547 1 12 . 1 1 63 63 ALA H H 68 7.948 7.948 7.557 0.391 17668 4548 1 12 . 1 1 64 64 LEU N N 69 116.445 116.445 116.059 0.386 17668 4549 1 12 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.065 0.082 17668 4550 1 12 . 1 1 64 64 LEU C C 69 176.931 176.931 176.818 0.113 17668 4551 1 12 . 1 1 64 64 LEU CA C 69 55.245 55.245 55.320 -0.075 17668 4552 1 12 . 1 1 64 64 LEU CB C 69 43.241 43.241 42.031 1.210 17668 4553 1 12 . 1 1 64 64 LEU H H 69 7.247 7.247 7.684 -0.437 17668 4554 1 12 . 1 1 65 65 GLY N N 70 103.867 103.867 103.348 0.519 17668 4555 1 12 . 1 1 65 65 GLY C C 70 173.651 173.651 174.264 -0.613 17668 4556 1 12 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.428 0.044 17668 4557 1 12 . 1 1 65 65 GLY H H 70 7.668 7.668 7.289 0.379 17668 4558 1 12 . 1 1 66 66 TYR N N 71 119.180 119.180 119.571 -0.391 17668 4559 1 12 . 1 1 66 66 TYR C C 71 174.513 174.513 175.019 -0.506 17668 4560 1 12 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.063 0.957 17668 4561 1 12 . 1 1 66 66 TYR CB C 71 39.502 39.502 40.291 -0.789 17668 4562 1 12 . 1 1 66 66 TYR H H 71 6.798 6.798 7.830 -1.032 17668 4563 1 12 . 1 1 67 67 THR N N 72 109.883 109.883 113.411 -3.528 17668 4564 1 12 . 1 1 67 67 THR C C 72 173.998 173.998 172.995 1.003 17668 4565 1 12 . 1 1 67 67 THR CA C 72 60.249 60.249 62.032 -1.783 17668 4566 1 12 . 1 1 67 67 THR CB C 72 71.254 71.254 70.678 0.576 17668 4567 1 12 . 1 1 67 67 THR H H 72 8.144 8.144 8.314 -0.170 17668 4568 1 12 . 1 1 68 68 LEU N N 73 122.461 122.461 121.423 1.038 17668 4569 1 12 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.515 -0.469 17668 4570 1 12 . 1 1 68 68 LEU C C 73 174.168 174.168 175.246 -1.078 17668 4571 1 12 . 1 1 68 68 LEU CA C 73 53.252 53.252 52.413 0.839 17668 4572 1 12 . 1 1 68 68 LEU CB C 73 43.743 43.743 44.769 -1.026 17668 4573 1 12 . 1 1 68 68 LEU H H 73 8.397 8.397 8.488 -0.091 17668 4574 1 12 . 1 1 69 69 ALA N N 74 125.195 125.195 119.787 5.408 17668 4575 1 12 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.736 -0.398 17668 4576 1 12 . 1 1 69 69 ALA C C 74 176.931 176.931 175.051 1.880 17668 4577 1 12 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.699 3.555 17668 4578 1 12 . 1 1 69 69 ALA CB C 74 18.225 18.225 22.051 -3.826 17668 4579 1 12 . 1 1 69 69 ALA H H 74 8.200 8.200 8.577 -0.377 17668 4580 1 12 . 1 1 70 70 GLU N N 75 120.820 120.820 123.445 -2.625 17668 4581 1 12 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.827 -0.353 17668 4582 1 12 . 1 1 70 70 GLU CA C 75 54.458 54.458 51.829 2.629 17668 4583 1 12 . 1 1 70 70 GLU CB C 75 29.591 29.591 31.260 -1.669 17668 4584 1 12 . 1 1 70 70 GLU H H 75 8.397 8.397 8.868 -0.471 17668 4585 1 13 . 1 1 2 2 LEU N N 7 119.727 119.727 119.622 0.105 17668 4586 1 13 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.790 -0.452 17668 4587 1 13 . 1 1 2 2 LEU C C 7 176.410 176.410 176.145 0.265 17668 4588 1 13 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.023 -0.013 17668 4589 1 13 . 1 1 2 2 LEU CB C 7 43.226 43.226 43.629 -0.403 17668 4590 1 13 . 1 1 2 2 LEU H H 7 7.919 7.919 8.229 -0.310 17668 4591 1 13 . 1 1 3 3 LYS N N 8 123.008 123.008 119.256 3.752 17668 4592 1 13 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.564 -0.199 17668 4593 1 13 . 1 1 3 3 LYS C C 8 174.512 174.512 175.545 -1.033 17668 4594 1 13 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.901 -0.160 17668 4595 1 13 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.076 0.647 17668 4596 1 13 . 1 1 3 3 LYS H H 8 8.650 8.650 8.255 0.395 17668 4597 1 13 . 1 1 4 4 THR N N 9 120.273 120.273 119.718 0.555 17668 4598 1 13 . 1 1 4 4 THR HA H 9 5.372 5.372 4.741 0.631 17668 4599 1 13 . 1 1 4 4 THR C C 9 174.170 174.170 174.357 -0.187 17668 4600 1 13 . 1 1 4 4 THR CA C 9 61.756 61.756 62.081 -0.325 17668 4601 1 13 . 1 1 4 4 THR CB C 9 70.757 70.757 69.260 1.498 17668 4602 1 13 . 1 1 4 4 THR H H 9 8.481 8.481 8.455 0.026 17668 4603 1 13 . 1 1 5 5 GLN N N 10 126.836 126.836 124.082 2.754 17668 4604 1 13 . 1 1 5 5 GLN C C 10 173.651 173.651 173.336 0.315 17668 4605 1 13 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.164 -0.928 17668 4606 1 13 . 1 1 5 5 GLN CB C 10 34.484 34.484 31.557 2.927 17668 4607 1 13 . 1 1 5 5 GLN H H 10 9.295 9.295 8.689 0.606 17668 4608 1 13 . 1 1 6 6 GLN N N 11 121.367 121.367 119.245 2.122 17668 4609 1 13 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.396 0.250 17668 4610 1 13 . 1 1 6 6 GLN C C 11 176.069 176.069 175.731 0.338 17668 4611 1 13 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.539 -0.779 17668 4612 1 13 . 1 1 6 6 GLN CB C 11 31.237 31.237 32.540 -1.303 17668 4613 1 13 . 1 1 6 6 GLN H H 11 8.425 8.425 8.468 -0.043 17668 4614 1 13 . 1 1 7 7 MET N N 12 120.273 120.273 114.643 5.630 17668 4615 1 13 . 1 1 7 7 MET C C 12 173.824 173.824 173.767 0.057 17668 4616 1 13 . 1 1 7 7 MET CA C 12 54.598 54.598 54.732 -0.134 17668 4617 1 13 . 1 1 7 7 MET CB C 12 37.258 37.258 35.539 1.719 17668 4618 1 13 . 1 1 7 7 MET H H 12 9.294 9.294 8.124 1.170 17668 4619 1 13 . 1 1 8 8 GLN N N 13 122.461 122.461 119.759 2.702 17668 4620 1 13 . 1 1 8 8 GLN C C 13 174.863 174.863 175.117 -0.254 17668 4621 1 13 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.922 -1.169 17668 4622 1 13 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.058 0.185 17668 4623 1 13 . 1 1 8 8 GLN H H 13 8.790 8.790 8.165 0.625 17668 4624 1 13 . 1 1 9 9 VAL N N 14 126.289 126.289 120.921 5.368 17668 4625 1 13 . 1 1 9 9 VAL C C 14 176.586 176.586 175.144 1.442 17668 4626 1 13 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.475 0.780 17668 4627 1 13 . 1 1 9 9 VAL CB C 14 33.467 33.467 36.291 -2.824 17668 4628 1 13 . 1 1 9 9 VAL H H 14 8.930 8.930 8.308 0.622 17668 4629 1 13 . 1 1 10 10 GLY N N 15 117.539 117.539 109.714 7.825 17668 4630 1 13 . 1 1 10 10 GLY C C 15 173.997 173.997 175.669 -1.672 17668 4631 1 13 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.403 -0.158 17668 4632 1 13 . 1 1 10 10 GLY H H 15 9.351 9.351 7.858 1.493 17668 4633 1 13 . 1 1 11 11 GLY N N 16 107.149 107.149 107.513 -0.364 17668 4634 1 13 . 1 1 11 11 GLY C C 16 176.067 176.067 174.727 1.340 17668 4635 1 13 . 1 1 11 11 GLY CA C 16 45.256 45.256 44.916 0.340 17668 4636 1 13 . 1 1 11 11 GLY H H 16 8.284 8.284 8.517 -0.233 17668 4637 1 13 . 1 1 12 12 MET N N 17 118.633 118.633 117.540 1.093 17668 4638 1 13 . 1 1 12 12 MET C C 17 177.102 177.102 176.656 0.446 17668 4639 1 13 . 1 1 12 12 MET CA C 17 57.740 57.740 57.441 0.299 17668 4640 1 13 . 1 1 12 12 MET CB C 17 34.243 34.243 31.720 2.523 17668 4641 1 13 . 1 1 12 12 MET H H 17 8.509 8.509 7.343 1.166 17668 4642 1 13 . 1 1 13 13 ARG N N 18 126.836 126.836 118.349 8.487 17668 4643 1 13 . 1 1 13 13 ARG C C 18 175.032 175.032 176.931 -1.899 17668 4644 1 13 . 1 1 13 13 ARG CA C 18 57.239 57.239 57.019 0.220 17668 4645 1 13 . 1 1 13 13 ARG CB C 18 32.744 32.744 29.190 3.554 17668 4646 1 13 . 1 1 13 13 ARG H H 18 10.782 10.782 7.973 2.808 17668 4647 1 13 . 1 1 14 14 CYS N N 19 114.805 114.805 121.004 -6.199 17668 4648 1 13 . 1 1 14 14 CYS CA C 19 56.217 56.217 60.837 -4.620 17668 4649 1 13 . 1 1 14 14 CYS CB C 19 30.413 30.413 28.389 2.024 17668 4650 1 13 . 1 1 14 14 CYS H H 19 8.425 8.425 7.697 0.728 17668 4651 1 13 . 1 1 15 15 ALA CA C 20 51.257 51.257 53.702 -2.445 17668 4652 1 13 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.503 0.744 17668 4653 1 13 . 1 1 16 16 ALA N N 21 118.906 118.906 125.289 -6.383 17668 4654 1 13 . 1 1 16 16 ALA HA H 21 4.147 4.147 3.952 0.195 17668 4655 1 13 . 1 1 16 16 ALA C C 21 180.553 180.553 178.877 1.676 17668 4656 1 13 . 1 1 16 16 ALA CA C 21 54.756 54.756 53.313 1.443 17668 4657 1 13 . 1 1 16 16 ALA CB C 21 18.233 18.233 16.928 1.305 17668 4658 1 13 . 1 1 17 17 CYS N N 22 121.914 121.914 118.762 3.152 17668 4659 1 13 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.158 -0.337 17668 4660 1 13 . 1 1 17 17 CYS C C 22 177.966 177.966 176.387 1.579 17668 4661 1 13 . 1 1 17 17 CYS CA C 22 64.748 64.748 62.520 2.228 17668 4662 1 13 . 1 1 17 17 CYS CB C 22 29.245 29.245 27.645 1.600 17668 4663 1 13 . 1 1 17 17 CYS H H 22 7.640 7.640 8.029 -0.389 17668 4664 1 13 . 1 1 18 18 ALA N N 23 119.180 119.180 122.870 -3.690 17668 4665 1 13 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.941 -0.338 17668 4666 1 13 . 1 1 18 18 ALA C C 23 179.173 179.173 179.308 -0.135 17668 4667 1 13 . 1 1 18 18 ALA CA C 23 55.258 55.258 55.365 -0.107 17668 4668 1 13 . 1 1 18 18 ALA CB C 23 18.741 18.741 17.940 0.801 17668 4669 1 13 . 1 1 18 18 ALA H H 23 6.629 6.629 8.253 -1.624 17668 4670 1 13 . 1 1 19 19 SER N N 24 112.618 112.618 113.541 -0.923 17668 4671 1 13 . 1 1 19 19 SER HA H 24 4.147 4.147 4.331 -0.184 17668 4672 1 13 . 1 1 19 19 SER C C 24 176.764 176.764 176.884 -0.120 17668 4673 1 13 . 1 1 19 19 SER CA C 24 61.259 61.259 61.702 -0.443 17668 4674 1 13 . 1 1 19 19 SER CB C 24 62.754 62.754 62.784 -0.030 17668 4675 1 13 . 1 1 19 19 SER H H 24 7.752 7.752 8.031 -0.279 17668 4676 1 13 . 1 1 20 20 SER N N 25 116.992 116.992 119.315 -2.323 17668 4677 1 13 . 1 1 20 20 SER HA H 25 3.521 3.521 4.252 -0.731 17668 4678 1 13 . 1 1 20 20 SER C C 25 177.448 177.448 176.088 1.360 17668 4679 1 13 . 1 1 20 20 SER CA C 25 61.870 61.870 61.282 0.588 17668 4680 1 13 . 1 1 20 20 SER CB C 25 62.751 62.751 62.807 -0.056 17668 4681 1 13 . 1 1 20 20 SER H H 25 7.989 7.989 7.485 0.504 17668 4682 1 13 . 1 1 21 21 ILE N N 26 122.461 122.461 122.625 -0.164 17668 4683 1 13 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.938 -0.608 17668 4684 1 13 . 1 1 21 21 ILE C C 26 176.930 176.930 177.627 -0.697 17668 4685 1 13 . 1 1 21 21 ILE CA C 26 66.255 66.255 62.905 3.350 17668 4686 1 13 . 1 1 21 21 ILE CB C 26 38.237 38.237 37.047 1.190 17668 4687 1 13 . 1 1 21 21 ILE H H 26 7.583 7.583 7.585 -0.002 17668 4688 1 13 . 1 1 22 22 GLU N N 27 116.992 116.992 119.651 -2.659 17668 4689 1 13 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.992 -0.526 17668 4690 1 13 . 1 1 22 22 GLU C C 27 178.916 178.916 178.613 0.303 17668 4691 1 13 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.289 1.464 17668 4692 1 13 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.850 -0.143 17668 4693 1 13 . 1 1 22 22 GLU H H 27 8.004 8.004 8.471 -0.467 17668 4694 1 13 . 1 1 23 23 ARG N N 28 114.805 114.805 118.627 -3.822 17668 4695 1 13 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.222 -0.266 17668 4696 1 13 . 1 1 23 23 ARG C C 28 179.517 179.517 178.477 1.040 17668 4697 1 13 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.822 -0.070 17668 4698 1 13 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.712 0.034 17668 4699 1 13 . 1 1 23 23 ARG H H 28 8.256 8.256 8.093 0.163 17668 4700 1 13 . 1 1 24 24 ALA N N 29 118.633 118.633 123.598 -4.965 17668 4701 1 13 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.101 -0.144 17668 4702 1 13 . 1 1 24 24 ALA C C 29 181.073 181.073 179.446 1.627 17668 4703 1 13 . 1 1 24 24 ALA CA C 29 54.749 54.749 54.789 -0.040 17668 4704 1 13 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.160 0.569 17668 4705 1 13 . 1 1 24 24 ALA H H 29 7.555 7.555 7.728 -0.173 17668 4706 1 13 . 1 1 25 25 LEU N N 30 115.899 115.899 118.014 -2.115 17668 4707 1 13 . 1 1 25 25 LEU HA H 30 3.984 3.984 3.991 -0.007 17668 4708 1 13 . 1 1 25 25 LEU C C 30 178.658 178.658 177.620 1.038 17668 4709 1 13 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.406 -0.185 17668 4710 1 13 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.733 -0.485 17668 4711 1 13 . 1 1 25 25 LEU H H 30 7.976 7.976 8.158 -0.182 17668 4712 1 13 . 1 1 26 26 GLU N N 31 115.899 115.899 117.268 -1.369 17668 4713 1 13 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.155 -0.417 17668 4714 1 13 . 1 1 26 26 GLU C C 31 177.793 177.793 179.236 -1.443 17668 4715 1 13 . 1 1 26 26 GLU CA C 31 58.727 58.727 58.516 0.211 17668 4716 1 13 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.545 -0.304 17668 4717 1 13 . 1 1 26 26 GLU H H 31 8.116 8.116 7.951 0.165 17668 4718 1 13 . 1 1 27 27 ARG N N 32 114.258 114.258 119.249 -4.991 17668 4719 1 13 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.125 0.022 17668 4720 1 13 . 1 1 27 27 ARG C C 32 176.757 176.757 177.900 -1.143 17668 4721 1 13 . 1 1 27 27 ARG CA C 32 56.250 56.250 57.247 -0.997 17668 4722 1 13 . 1 1 27 27 ARG CB C 32 30.744 30.744 29.687 1.057 17668 4723 1 13 . 1 1 27 27 ARG H H 32 6.854 6.854 7.550 -0.696 17668 4724 1 13 . 1 1 28 28 LEU N N 33 123.008 123.008 117.983 5.025 17668 4725 1 13 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.192 0.010 17668 4726 1 13 . 1 1 28 28 LEU C C 33 176.412 176.412 177.113 -0.701 17668 4727 1 13 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.823 -1.574 17668 4728 1 13 . 1 1 28 28 LEU CB C 33 41.739 41.739 41.825 -0.086 17668 4729 1 13 . 1 1 28 28 LEU H H 33 7.501 7.501 7.914 -0.413 17668 4730 1 13 . 1 1 29 29 LYS N N 34 127.383 127.383 114.785 12.598 17668 4731 1 13 . 1 1 29 29 LYS HA H 34 3.874 3.874 3.968 -0.094 17668 4732 1 13 . 1 1 29 29 LYS C C 34 176.412 176.412 177.299 -0.887 17668 4733 1 13 . 1 1 29 29 LYS CA C 34 58.242 58.242 57.859 0.383 17668 4734 1 13 . 1 1 29 29 LYS CB C 34 31.746 31.746 30.574 1.172 17668 4735 1 13 . 1 1 29 29 LYS H H 34 8.341 8.341 7.752 0.589 17668 4736 1 13 . 1 1 30 30 GLY N N 35 111.524 111.524 105.890 5.634 17668 4737 1 13 . 1 1 30 30 GLY C C 35 175.715 175.715 173.014 2.701 17668 4738 1 13 . 1 1 30 30 GLY CA C 35 45.488 45.488 44.670 0.818 17668 4739 1 13 . 1 1 30 30 GLY H H 35 8.509 8.509 8.539 -0.030 17668 4740 1 13 . 1 1 31 31 VAL N N 36 122.461 122.461 115.449 7.012 17668 4741 1 13 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.594 -0.720 17668 4742 1 13 . 1 1 31 31 VAL C C 36 175.032 175.032 173.916 1.116 17668 4743 1 13 . 1 1 31 31 VAL CA C 36 63.757 63.757 59.909 3.848 17668 4744 1 13 . 1 1 31 31 VAL CB C 36 31.250 31.250 34.940 -3.689 17668 4745 1 13 . 1 1 31 31 VAL H H 36 7.892 7.892 7.385 0.507 17668 4746 1 13 . 1 1 32 32 ALA N N 37 131.758 131.758 126.810 4.948 17668 4747 1 13 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.593 -0.228 17668 4748 1 13 . 1 1 32 32 ALA C C 37 177.619 177.619 177.696 -0.077 17668 4749 1 13 . 1 1 32 32 ALA CA C 37 53.246 53.246 53.108 0.137 17668 4750 1 13 . 1 1 32 32 ALA CB C 37 20.722 20.722 20.116 0.606 17668 4751 1 13 . 1 1 32 32 ALA H H 37 9.042 9.042 8.883 0.159 17668 4752 1 13 . 1 1 33 33 GLU N N 38 114.258 114.258 117.174 -2.916 17668 4753 1 13 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.614 -0.113 17668 4754 1 13 . 1 1 33 33 GLU C C 38 173.651 173.651 174.008 -0.357 17668 4755 1 13 . 1 1 33 33 GLU CA C 38 55.577 55.577 55.926 -0.349 17668 4756 1 13 . 1 1 33 33 GLU CB C 38 33.666 33.666 33.558 0.108 17668 4757 1 13 . 1 1 33 33 GLU H H 38 7.555 7.555 7.748 -0.193 17668 4758 1 13 . 1 1 34 34 ALA N N 39 125.742 125.742 124.718 1.024 17668 4759 1 13 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.099 0.002 17668 4760 1 13 . 1 1 34 34 ALA C C 39 175.033 175.033 175.558 -0.525 17668 4761 1 13 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.719 -0.439 17668 4762 1 13 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.064 1.173 17668 4763 1 13 . 1 1 34 34 ALA H H 39 9.014 9.014 8.329 0.685 17668 4764 1 13 . 1 1 35 35 SER N N 40 113.711 113.711 116.219 -2.508 17668 4765 1 13 . 1 1 35 35 SER HA H 40 4.855 4.855 4.851 0.004 17668 4766 1 13 . 1 1 35 35 SER C C 40 173.824 173.824 173.177 0.647 17668 4767 1 13 . 1 1 35 35 SER CA C 40 56.254 56.254 57.871 -1.617 17668 4768 1 13 . 1 1 35 35 SER CB C 40 65.255 65.255 65.811 -0.557 17668 4769 1 13 . 1 1 35 35 SER H H 40 8.481 8.481 8.771 -0.290 17668 4770 1 13 . 1 1 36 36 VAL N N 41 129.570 129.570 128.262 1.308 17668 4771 1 13 . 1 1 36 36 VAL C C 41 175.204 175.204 176.190 -0.986 17668 4772 1 13 . 1 1 36 36 VAL CA C 41 60.265 60.265 61.787 -1.522 17668 4773 1 13 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.113 1.630 17668 4774 1 13 . 1 1 36 36 VAL H H 41 10.164 10.164 9.638 0.526 17668 4775 1 13 . 1 1 37 37 THR N N 42 123.008 123.008 125.492 -2.484 17668 4776 1 13 . 1 1 37 37 THR HA H 42 4.392 4.392 4.473 -0.081 17668 4777 1 13 . 1 1 37 37 THR C C 42 175.030 175.030 174.614 0.416 17668 4778 1 13 . 1 1 37 37 THR CA C 42 60.760 60.760 61.818 -1.058 17668 4779 1 13 . 1 1 37 37 THR CB C 42 69.255 69.255 68.823 0.431 17668 4780 1 13 . 1 1 37 37 THR H H 42 8.453 8.453 8.928 -0.475 17668 4781 1 13 . 1 1 38 38 VAL N N 43 128.476 128.476 127.317 1.159 17668 4782 1 13 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.813 -0.511 17668 4783 1 13 . 1 1 38 38 VAL C C 43 176.067 176.067 176.329 -0.262 17668 4784 1 13 . 1 1 38 38 VAL CA C 43 63.268 63.268 64.723 -1.455 17668 4785 1 13 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.802 0.425 17668 4786 1 13 . 1 1 38 38 VAL H H 43 8.789 8.789 8.541 0.248 17668 4787 1 13 . 1 1 39 39 ALA N N 44 119.180 119.180 120.716 -1.536 17668 4788 1 13 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.118 -0.134 17668 4789 1 13 . 1 1 39 39 ALA C C 44 179.167 179.167 178.597 0.570 17668 4790 1 13 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.488 0.737 17668 4791 1 13 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.460 0.535 17668 4792 1 13 . 1 1 39 39 ALA H H 44 8.509 8.509 8.262 0.247 17668 4793 1 13 . 1 1 40 40 THR N N 45 135.586 135.586 107.405 28.181 17668 4794 1 13 . 1 1 40 40 THR HA H 45 4.338 4.338 4.297 0.041 17668 4795 1 13 . 1 1 40 40 THR C C 45 176.237 176.237 175.988 0.249 17668 4796 1 13 . 1 1 40 40 THR CA C 45 60.254 60.254 61.641 -1.387 17668 4797 1 13 . 1 1 40 40 THR CB C 45 70.261 70.261 70.191 0.070 17668 4798 1 13 . 1 1 40 40 THR H H 45 6.713 6.713 7.746 -1.033 17668 4799 1 13 . 1 1 41 41 GLY N N 46 110.977 110.977 111.883 -0.906 17668 4800 1 13 . 1 1 41 41 GLY C C 46 172.096 172.096 172.968 -0.872 17668 4801 1 13 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.055 1.170 17668 4802 1 13 . 1 1 41 41 GLY H H 46 7.835 7.835 8.279 -0.444 17668 4803 1 13 . 1 1 42 42 ARG N N 47 118.086 118.086 117.259 0.827 17668 4804 1 13 . 1 1 42 42 ARG C C 47 175.032 175.032 173.896 1.136 17668 4805 1 13 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.397 1.853 17668 4806 1 13 . 1 1 42 42 ARG CB C 47 31.739 31.739 34.502 -2.763 17668 4807 1 13 . 1 1 42 42 ARG H H 47 7.303 7.303 7.925 -0.622 17668 4808 1 13 . 1 1 43 43 LEU N N 48 129.023 129.023 120.481 8.542 17668 4809 1 13 . 1 1 43 43 LEU HA H 48 5.019 5.019 4.908 0.111 17668 4810 1 13 . 1 1 43 43 LEU C C 48 175.033 175.033 175.546 -0.513 17668 4811 1 13 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.425 -0.175 17668 4812 1 13 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.491 -1.410 17668 4813 1 13 . 1 1 43 43 LEU H H 48 8.986 8.986 8.176 0.810 17668 4814 1 13 . 1 1 44 44 THR N N 49 123.008 123.008 117.466 5.542 17668 4815 1 13 . 1 1 44 44 THR HA H 49 4.964 4.964 5.318 -0.354 17668 4816 1 13 . 1 1 44 44 THR C C 49 173.475 173.475 172.767 0.708 17668 4817 1 13 . 1 1 44 44 THR CA C 49 61.752 61.752 61.486 0.266 17668 4818 1 13 . 1 1 44 44 THR CB C 49 69.756 69.756 71.115 -1.359 17668 4819 1 13 . 1 1 44 44 THR H H 49 9.154 9.154 8.288 0.866 17668 4820 1 13 . 1 1 45 45 VAL N N 50 125.195 125.195 125.200 -0.005 17668 4821 1 13 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.984 0.198 17668 4822 1 13 . 1 1 45 45 VAL C C 50 172.614 172.614 173.336 -0.722 17668 4823 1 13 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.058 -1.296 17668 4824 1 13 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.718 -0.266 17668 4825 1 13 . 1 1 45 45 VAL H H 50 9.071 9.071 9.264 -0.193 17668 4826 1 13 . 1 1 46 46 THR N N 51 124.648 124.648 124.141 0.507 17668 4827 1 13 . 1 1 46 46 THR HA H 51 5.782 5.782 5.431 0.351 17668 4828 1 13 . 1 1 46 46 THR C C 51 174.684 174.684 173.578 1.106 17668 4829 1 13 . 1 1 46 46 THR CA C 51 61.248 61.248 61.097 0.151 17668 4830 1 13 . 1 1 46 46 THR CB C 51 70.265 70.265 69.577 0.688 17668 4831 1 13 . 1 1 46 46 THR H H 51 8.930 8.930 8.901 0.029 17668 4832 1 13 . 1 1 47 47 TYR N N 52 124.648 124.648 122.954 1.694 17668 4833 1 13 . 1 1 47 47 TYR HA H 52 5.291 5.291 4.850 0.441 17668 4834 1 13 . 1 1 47 47 TYR C C 52 171.408 171.408 172.565 -1.157 17668 4835 1 13 . 1 1 47 47 TYR CA C 52 55.245 55.245 56.179 -0.934 17668 4836 1 13 . 1 1 47 47 TYR CB C 52 41.754 41.754 40.444 1.310 17668 4837 1 13 . 1 1 47 47 TYR H H 52 9.603 9.603 8.549 1.054 17668 4838 1 13 . 1 1 48 48 ASP N N 53 119.180 119.180 121.649 -2.469 17668 4839 1 13 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.044 -0.079 17668 4840 1 13 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.385 -0.376 17668 4841 1 13 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.922 -1.364 17668 4842 1 13 . 1 1 48 48 ASP H H 53 8.481 8.481 9.108 -0.627 17668 4843 1 13 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.872 0.501 17668 4844 1 13 . 1 1 49 49 PRO C C 54 178.311 178.311 176.539 1.772 17668 4845 1 13 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.958 -0.695 17668 4846 1 13 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.957 0.286 17668 4847 1 13 . 1 1 50 50 LYS N N 55 116.992 116.992 117.740 -0.748 17668 4848 1 13 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.477 -0.357 17668 4849 1 13 . 1 1 50 50 LYS C C 55 177.802 177.802 177.852 -0.050 17668 4850 1 13 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.723 1.003 17668 4851 1 13 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.516 -1.651 17668 4852 1 13 . 1 1 50 50 LYS H H 55 8.284 8.284 8.357 -0.073 17668 4853 1 13 . 1 1 51 51 GLN N N 56 115.352 115.352 118.634 -3.282 17668 4854 1 13 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.247 0.064 17668 4855 1 13 . 1 1 51 51 GLN C C 56 175.031 175.031 176.871 -1.840 17668 4856 1 13 . 1 1 51 51 GLN CA C 56 56.756 56.756 57.576 -0.820 17668 4857 1 13 . 1 1 51 51 GLN CB C 56 33.752 33.752 29.673 4.079 17668 4858 1 13 . 1 1 51 51 GLN H H 56 7.864 7.864 8.444 -0.580 17668 4859 1 13 . 1 1 52 52 VAL N N 57 120.273 120.273 112.560 7.713 17668 4860 1 13 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.480 -0.087 17668 4861 1 13 . 1 1 52 52 VAL C C 57 170.718 170.718 173.881 -3.163 17668 4862 1 13 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.915 -0.143 17668 4863 1 13 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.753 -0.525 17668 4864 1 13 . 1 1 52 52 VAL H H 57 8.172 8.172 7.992 0.180 17668 4865 1 13 . 1 1 53 53 SER N N 58 116.992 116.992 113.133 3.859 17668 4866 1 13 . 1 1 53 53 SER C C 58 175.377 175.377 175.746 -0.369 17668 4867 1 13 . 1 1 53 53 SER CA C 58 55.251 55.251 57.066 -1.815 17668 4868 1 13 . 1 1 53 53 SER CB C 58 66.750 66.750 66.216 0.534 17668 4869 1 13 . 1 1 53 53 SER H H 58 7.611 7.611 8.087 -0.476 17668 4870 1 13 . 1 1 54 54 GLU N N 59 120.820 120.820 122.120 -1.300 17668 4871 1 13 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.758 -0.400 17668 4872 1 13 . 1 1 54 54 GLU C C 59 178.308 178.308 178.187 0.121 17668 4873 1 13 . 1 1 54 54 GLU CA C 59 59.743 59.743 59.856 -0.113 17668 4874 1 13 . 1 1 54 54 GLU CB C 59 29.240 29.240 29.228 0.012 17668 4875 1 13 . 1 1 54 54 GLU H H 59 8.930 8.930 8.933 -0.003 17668 4876 1 13 . 1 1 55 55 ILE N N 60 118.086 118.086 119.733 -1.647 17668 4877 1 13 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.673 0.065 17668 4878 1 13 . 1 1 55 55 ILE C C 60 177.448 177.448 178.099 -0.651 17668 4879 1 13 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.121 -0.372 17668 4880 1 13 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.681 0.834 17668 4881 1 13 . 1 1 55 55 ILE H H 60 7.583 7.583 7.430 0.153 17668 4882 1 13 . 1 1 56 56 THR N N 61 119.727 119.727 114.247 5.480 17668 4883 1 13 . 1 1 56 56 THR HA H 61 3.766 3.766 4.050 -0.284 17668 4884 1 13 . 1 1 56 56 THR C C 61 177.104 177.104 176.766 0.338 17668 4885 1 13 . 1 1 56 56 THR CA C 61 66.264 66.264 66.946 -0.682 17668 4886 1 13 . 1 1 56 56 THR CB C 61 68.245 68.245 68.475 -0.230 17668 4887 1 13 . 1 1 56 56 THR H H 61 7.471 7.471 8.072 -0.601 17668 4888 1 13 . 1 1 57 57 ILE N N 62 121.367 121.367 121.939 -0.572 17668 4889 1 13 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.979 -0.948 17668 4890 1 13 . 1 1 57 57 ILE C C 62 176.756 176.756 176.331 0.425 17668 4891 1 13 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.155 3.605 17668 4892 1 13 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.843 0.408 17668 4893 1 13 . 1 1 57 57 ILE H H 62 7.259 7.259 7.373 -0.114 17668 4894 1 13 . 1 1 58 58 GLN N N 63 117.539 117.539 121.057 -3.518 17668 4895 1 13 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.832 -0.230 17668 4896 1 13 . 1 1 58 58 GLN C C 63 179.172 179.172 178.258 0.914 17668 4897 1 13 . 1 1 58 58 GLN CA C 63 59.755 59.755 60.075 -0.320 17668 4898 1 13 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.542 -0.808 17668 4899 1 13 . 1 1 58 58 GLN H H 63 7.976 7.976 8.573 -0.597 17668 4900 1 13 . 1 1 59 59 GLU N N 64 119.180 119.180 118.110 1.070 17668 4901 1 13 . 1 1 59 59 GLU HA H 64 3.874 3.874 3.984 -0.110 17668 4902 1 13 . 1 1 59 59 GLU C C 64 179.866 179.866 178.871 0.995 17668 4903 1 13 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.117 0.142 17668 4904 1 13 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.355 0.345 17668 4905 1 13 . 1 1 59 59 GLU H H 64 8.622 8.622 8.332 0.290 17668 4906 1 13 . 1 1 60 60 ARG N N 65 119.727 119.727 120.435 -0.708 17668 4907 1 13 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.080 0.013 17668 4908 1 13 . 1 1 60 60 ARG C C 65 178.310 178.310 178.743 -0.433 17668 4909 1 13 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.782 -1.526 17668 4910 1 13 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.743 -0.995 17668 4911 1 13 . 1 1 60 60 ARG H H 65 7.891 7.891 7.522 0.369 17668 4912 1 13 . 1 1 61 61 ILE N N 66 118.086 118.086 119.299 -1.213 17668 4913 1 13 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.762 -0.215 17668 4914 1 13 . 1 1 61 61 ILE C C 66 178.311 178.311 177.611 0.700 17668 4915 1 13 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.211 -0.466 17668 4916 1 13 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.880 -0.199 17668 4917 1 13 . 1 1 61 61 ILE H H 66 7.443 7.443 8.150 -0.707 17668 4918 1 13 . 1 1 62 62 ALA N N 67 121.914 121.914 122.043 -0.129 17668 4919 1 13 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.510 0.019 17668 4920 1 13 . 1 1 62 62 ALA C C 67 182.626 182.626 180.261 2.365 17668 4921 1 13 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.500 -0.250 17668 4922 1 13 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.417 -0.682 17668 4923 1 13 . 1 1 62 62 ALA H H 67 8.116 8.116 8.213 -0.097 17668 4924 1 13 . 1 1 63 63 ALA N N 68 121.367 121.367 121.853 -0.486 17668 4925 1 13 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.127 -0.115 17668 4926 1 13 . 1 1 63 63 ALA C C 68 179.690 179.690 178.871 0.819 17668 4927 1 13 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.282 -0.023 17668 4928 1 13 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.672 -0.451 17668 4929 1 13 . 1 1 63 63 ALA H H 68 7.948 7.948 7.969 -0.021 17668 4930 1 13 . 1 1 64 64 LEU N N 69 116.445 116.445 116.057 0.388 17668 4931 1 13 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.123 0.024 17668 4932 1 13 . 1 1 64 64 LEU C C 69 176.931 176.931 177.365 -0.434 17668 4933 1 13 . 1 1 64 64 LEU CA C 69 55.245 55.245 55.154 0.091 17668 4934 1 13 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.317 1.924 17668 4935 1 13 . 1 1 64 64 LEU H H 69 7.247 7.247 7.633 -0.386 17668 4936 1 13 . 1 1 65 65 GLY N N 70 103.867 103.867 105.377 -1.510 17668 4937 1 13 . 1 1 65 65 GLY C C 70 173.651 173.651 174.301 -0.650 17668 4938 1 13 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.950 -0.478 17668 4939 1 13 . 1 1 65 65 GLY H H 70 7.668 7.668 7.516 0.152 17668 4940 1 13 . 1 1 66 66 TYR N N 71 119.180 119.180 120.146 -0.966 17668 4941 1 13 . 1 1 66 66 TYR C C 71 174.513 174.513 174.561 -0.048 17668 4942 1 13 . 1 1 66 66 TYR CA C 71 57.020 57.020 55.915 1.105 17668 4943 1 13 . 1 1 66 66 TYR CB C 71 39.502 39.502 39.255 0.247 17668 4944 1 13 . 1 1 66 66 TYR H H 71 6.798 6.798 7.668 -0.870 17668 4945 1 13 . 1 1 67 67 THR N N 72 109.883 109.883 110.138 -0.255 17668 4946 1 13 . 1 1 67 67 THR C C 72 173.998 173.998 173.186 0.812 17668 4947 1 13 . 1 1 67 67 THR CA C 72 60.249 60.249 60.680 -0.431 17668 4948 1 13 . 1 1 67 67 THR CB C 72 71.254 71.254 71.303 -0.049 17668 4949 1 13 . 1 1 67 67 THR H H 72 8.144 8.144 8.279 -0.135 17668 4950 1 13 . 1 1 68 68 LEU N N 73 122.461 122.461 124.883 -2.422 17668 4951 1 13 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.673 0.373 17668 4952 1 13 . 1 1 68 68 LEU C C 73 174.168 174.168 176.022 -1.854 17668 4953 1 13 . 1 1 68 68 LEU CA C 73 53.252 53.252 54.277 -1.025 17668 4954 1 13 . 1 1 68 68 LEU CB C 73 43.743 43.743 43.974 -0.231 17668 4955 1 13 . 1 1 68 68 LEU H H 73 8.397 8.397 8.585 -0.188 17668 4956 1 13 . 1 1 69 69 ALA N N 74 125.195 125.195 131.722 -6.527 17668 4957 1 13 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.680 -0.342 17668 4958 1 13 . 1 1 69 69 ALA C C 74 176.931 176.931 175.873 1.058 17668 4959 1 13 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.023 4.231 17668 4960 1 13 . 1 1 69 69 ALA CB C 74 18.225 18.225 19.589 -1.364 17668 4961 1 13 . 1 1 69 69 ALA H H 74 8.200 8.200 8.910 -0.710 17668 4962 1 13 . 1 1 70 70 GLU N N 75 120.820 120.820 123.166 -2.346 17668 4963 1 13 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.480 -0.006 17668 4964 1 13 . 1 1 70 70 GLU CA C 75 54.458 54.458 53.148 1.310 17668 4965 1 13 . 1 1 70 70 GLU CB C 75 29.591 29.591 29.993 -0.402 17668 4966 1 13 . 1 1 70 70 GLU H H 75 8.397 8.397 8.543 -0.146 17668 4967 1 14 . 1 1 2 2 LEU N N 7 119.727 119.727 118.971 0.756 17668 4968 1 14 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.739 -0.401 17668 4969 1 14 . 1 1 2 2 LEU C C 7 176.410 176.410 176.031 0.379 17668 4970 1 14 . 1 1 2 2 LEU CA C 7 54.010 54.010 53.769 0.241 17668 4971 1 14 . 1 1 2 2 LEU CB C 7 43.226 43.226 43.947 -0.721 17668 4972 1 14 . 1 1 2 2 LEU H H 7 7.919 7.919 7.730 0.189 17668 4973 1 14 . 1 1 3 3 LYS N N 8 123.008 123.008 121.743 1.265 17668 4974 1 14 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.700 -0.335 17668 4975 1 14 . 1 1 3 3 LYS C C 8 174.512 174.512 175.855 -1.343 17668 4976 1 14 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.919 -0.177 17668 4977 1 14 . 1 1 3 3 LYS CB C 8 35.723 35.723 34.517 1.206 17668 4978 1 14 . 1 1 3 3 LYS H H 8 8.650 8.650 8.207 0.443 17668 4979 1 14 . 1 1 4 4 THR N N 9 120.273 120.273 117.776 2.497 17668 4980 1 14 . 1 1 4 4 THR HA H 9 5.372 5.372 4.925 0.447 17668 4981 1 14 . 1 1 4 4 THR C C 9 174.170 174.170 174.198 -0.028 17668 4982 1 14 . 1 1 4 4 THR CA C 9 61.756 61.756 61.880 -0.124 17668 4983 1 14 . 1 1 4 4 THR CB C 9 70.757 70.757 70.094 0.663 17668 4984 1 14 . 1 1 4 4 THR H H 9 8.481 8.481 8.317 0.164 17668 4985 1 14 . 1 1 5 5 GLN N N 10 126.836 126.836 123.785 3.051 17668 4986 1 14 . 1 1 5 5 GLN C C 10 173.651 173.651 173.378 0.273 17668 4987 1 14 . 1 1 5 5 GLN CA C 10 54.236 54.236 54.936 -0.700 17668 4988 1 14 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.622 1.862 17668 4989 1 14 . 1 1 5 5 GLN H H 10 9.295 9.295 8.502 0.793 17668 4990 1 14 . 1 1 6 6 GLN N N 11 121.367 121.367 124.032 -2.665 17668 4991 1 14 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.373 0.273 17668 4992 1 14 . 1 1 6 6 GLN C C 11 176.069 176.069 175.145 0.924 17668 4993 1 14 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.737 -0.978 17668 4994 1 14 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.235 0.002 17668 4995 1 14 . 1 1 6 6 GLN H H 11 8.425 8.425 8.561 -0.136 17668 4996 1 14 . 1 1 7 7 MET N N 12 120.273 120.273 120.300 -0.027 17668 4997 1 14 . 1 1 7 7 MET C C 12 173.824 173.824 174.472 -0.648 17668 4998 1 14 . 1 1 7 7 MET CA C 12 54.598 54.598 54.663 -0.065 17668 4999 1 14 . 1 1 7 7 MET CB C 12 37.258 37.258 36.599 0.659 17668 5000 1 14 . 1 1 7 7 MET H H 12 9.294 9.294 8.854 0.440 17668 5001 1 14 . 1 1 8 8 GLN N N 13 122.461 122.461 122.034 0.427 17668 5002 1 14 . 1 1 8 8 GLN C C 13 174.863 174.863 174.352 0.511 17668 5003 1 14 . 1 1 8 8 GLN CA C 13 54.753 54.753 56.089 -1.336 17668 5004 1 14 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.184 0.059 17668 5005 1 14 . 1 1 8 8 GLN H H 13 8.790 8.790 8.402 0.388 17668 5006 1 14 . 1 1 9 9 VAL N N 14 126.289 126.289 123.701 2.588 17668 5007 1 14 . 1 1 9 9 VAL C C 14 176.586 176.586 176.018 0.568 17668 5008 1 14 . 1 1 9 9 VAL CA C 14 61.255 61.255 61.795 -0.540 17668 5009 1 14 . 1 1 9 9 VAL CB C 14 33.467 33.467 34.381 -0.914 17668 5010 1 14 . 1 1 9 9 VAL H H 14 8.930 8.930 8.517 0.413 17668 5011 1 14 . 1 1 10 10 GLY N N 15 117.539 117.539 113.750 3.789 17668 5012 1 14 . 1 1 10 10 GLY C C 15 173.997 173.997 174.558 -0.561 17668 5013 1 14 . 1 1 10 10 GLY CA C 15 44.245 44.245 46.663 -2.418 17668 5014 1 14 . 1 1 10 10 GLY H H 15 9.351 9.351 8.616 0.735 17668 5015 1 14 . 1 1 11 11 GLY N N 16 107.149 107.149 105.516 1.633 17668 5016 1 14 . 1 1 11 11 GLY C C 16 176.067 176.067 173.598 2.469 17668 5017 1 14 . 1 1 11 11 GLY CA C 16 45.256 45.256 43.828 1.428 17668 5018 1 14 . 1 1 11 11 GLY H H 16 8.284 8.284 7.854 0.430 17668 5019 1 14 . 1 1 12 12 MET N N 17 118.633 118.633 116.564 2.069 17668 5020 1 14 . 1 1 12 12 MET C C 17 177.102 177.102 177.607 -0.505 17668 5021 1 14 . 1 1 12 12 MET CA C 17 57.740 57.740 55.492 2.248 17668 5022 1 14 . 1 1 12 12 MET CB C 17 34.243 34.243 33.644 0.599 17668 5023 1 14 . 1 1 12 12 MET H H 17 8.509 8.509 7.142 1.367 17668 5024 1 14 . 1 1 13 13 ARG N N 18 126.836 126.836 119.222 7.614 17668 5025 1 14 . 1 1 13 13 ARG C C 18 175.032 175.032 176.563 -1.531 17668 5026 1 14 . 1 1 13 13 ARG CA C 18 57.239 57.239 58.140 -0.901 17668 5027 1 14 . 1 1 13 13 ARG CB C 18 32.744 32.744 30.148 2.595 17668 5028 1 14 . 1 1 13 13 ARG H H 18 10.782 10.782 7.753 3.029 17668 5029 1 14 . 1 1 14 14 CYS N N 19 114.805 114.805 117.450 -2.645 17668 5030 1 14 . 1 1 14 14 CYS CA C 19 56.217 56.217 57.244 -1.027 17668 5031 1 14 . 1 1 14 14 CYS CB C 19 30.413 30.413 29.729 0.684 17668 5032 1 14 . 1 1 14 14 CYS H H 19 8.425 8.425 7.856 0.569 17668 5033 1 14 . 1 1 15 15 ALA CA C 20 51.257 51.257 54.948 -3.691 17668 5034 1 14 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.744 0.503 17668 5035 1 14 . 1 1 16 16 ALA N N 21 118.906 118.906 120.791 -1.885 17668 5036 1 14 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.071 0.076 17668 5037 1 14 . 1 1 16 16 ALA C C 21 180.553 180.553 179.349 1.204 17668 5038 1 14 . 1 1 16 16 ALA CA C 21 54.756 54.756 54.784 -0.028 17668 5039 1 14 . 1 1 16 16 ALA CB C 21 18.233 18.233 17.809 0.424 17668 5040 1 14 . 1 1 17 17 CYS N N 22 121.914 121.914 118.272 3.642 17668 5041 1 14 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.084 -0.263 17668 5042 1 14 . 1 1 17 17 CYS C C 22 177.966 177.966 176.642 1.324 17668 5043 1 14 . 1 1 17 17 CYS CA C 22 64.748 64.748 63.196 1.552 17668 5044 1 14 . 1 1 17 17 CYS CB C 22 29.245 29.245 27.752 1.493 17668 5045 1 14 . 1 1 17 17 CYS H H 22 7.640 7.640 7.634 0.006 17668 5046 1 14 . 1 1 18 18 ALA N N 23 119.180 119.180 122.452 -3.272 17668 5047 1 14 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.982 -0.379 17668 5048 1 14 . 1 1 18 18 ALA C C 23 179.173 179.173 179.109 0.064 17668 5049 1 14 . 1 1 18 18 ALA CA C 23 55.258 55.258 55.081 0.177 17668 5050 1 14 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.269 0.472 17668 5051 1 14 . 1 1 18 18 ALA H H 23 6.629 6.629 8.345 -1.716 17668 5052 1 14 . 1 1 19 19 SER N N 24 112.618 112.618 113.284 -0.666 17668 5053 1 14 . 1 1 19 19 SER HA H 24 4.147 4.147 4.278 -0.131 17668 5054 1 14 . 1 1 19 19 SER C C 24 176.764 176.764 176.477 0.287 17668 5055 1 14 . 1 1 19 19 SER CA C 24 61.259 61.259 61.771 -0.512 17668 5056 1 14 . 1 1 19 19 SER CB C 24 62.754 62.754 62.987 -0.233 17668 5057 1 14 . 1 1 19 19 SER H H 24 7.752 7.752 8.128 -0.376 17668 5058 1 14 . 1 1 20 20 SER N N 25 116.992 116.992 118.271 -1.279 17668 5059 1 14 . 1 1 20 20 SER HA H 25 3.521 3.521 4.347 -0.826 17668 5060 1 14 . 1 1 20 20 SER C C 25 177.448 177.448 175.486 1.962 17668 5061 1 14 . 1 1 20 20 SER CA C 25 61.870 61.870 61.560 0.310 17668 5062 1 14 . 1 1 20 20 SER CB C 25 62.751 62.751 62.978 -0.227 17668 5063 1 14 . 1 1 20 20 SER H H 25 7.989 7.989 7.736 0.253 17668 5064 1 14 . 1 1 21 21 ILE N N 26 122.461 122.461 122.068 0.393 17668 5065 1 14 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.909 -0.579 17668 5066 1 14 . 1 1 21 21 ILE C C 26 176.930 176.930 177.627 -0.697 17668 5067 1 14 . 1 1 21 21 ILE CA C 26 66.255 66.255 62.759 3.496 17668 5068 1 14 . 1 1 21 21 ILE CB C 26 38.237 38.237 37.192 1.045 17668 5069 1 14 . 1 1 21 21 ILE H H 26 7.583 7.583 7.713 -0.130 17668 5070 1 14 . 1 1 22 22 GLU N N 27 116.992 116.992 120.281 -3.289 17668 5071 1 14 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.968 -0.502 17668 5072 1 14 . 1 1 22 22 GLU C C 27 178.916 178.916 178.991 -0.075 17668 5073 1 14 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.464 1.290 17668 5074 1 14 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.648 0.059 17668 5075 1 14 . 1 1 22 22 GLU H H 27 8.004 8.004 8.448 -0.444 17668 5076 1 14 . 1 1 23 23 ARG N N 28 114.805 114.805 117.640 -2.835 17668 5077 1 14 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.100 -0.144 17668 5078 1 14 . 1 1 23 23 ARG C C 28 179.517 179.517 176.618 2.899 17668 5079 1 14 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.159 0.593 17668 5080 1 14 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.365 0.381 17668 5081 1 14 . 1 1 23 23 ARG H H 28 8.256 8.256 7.736 0.520 17668 5082 1 14 . 1 1 24 24 ALA N N 29 118.633 118.633 119.553 -0.920 17668 5083 1 14 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.470 -0.513 17668 5084 1 14 . 1 1 24 24 ALA C C 29 181.073 181.073 179.500 1.573 17668 5085 1 14 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.494 1.255 17668 5086 1 14 . 1 1 24 24 ALA CB C 29 18.729 18.729 19.475 -0.746 17668 5087 1 14 . 1 1 24 24 ALA H H 29 7.555 7.555 7.465 0.090 17668 5088 1 14 . 1 1 25 25 LEU N N 30 115.899 115.899 120.052 -4.153 17668 5089 1 14 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.079 -0.095 17668 5090 1 14 . 1 1 25 25 LEU C C 30 178.658 178.658 177.767 0.891 17668 5091 1 14 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.125 0.096 17668 5092 1 14 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.857 -0.609 17668 5093 1 14 . 1 1 25 25 LEU H H 30 7.976 7.976 8.123 -0.147 17668 5094 1 14 . 1 1 26 26 GLU N N 31 115.899 115.899 115.710 0.189 17668 5095 1 14 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.182 -0.444 17668 5096 1 14 . 1 1 26 26 GLU C C 31 177.793 177.793 177.686 0.107 17668 5097 1 14 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.931 0.796 17668 5098 1 14 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.758 -0.517 17668 5099 1 14 . 1 1 26 26 GLU H H 31 8.116 8.116 7.991 0.125 17668 5100 1 14 . 1 1 27 27 ARG N N 32 114.258 114.258 116.541 -2.283 17668 5101 1 14 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.507 -0.360 17668 5102 1 14 . 1 1 27 27 ARG C C 32 176.757 176.757 177.387 -0.630 17668 5103 1 14 . 1 1 27 27 ARG CA C 32 56.250 56.250 56.093 0.157 17668 5104 1 14 . 1 1 27 27 ARG CB C 32 30.744 30.744 30.811 -0.067 17668 5105 1 14 . 1 1 27 27 ARG H H 32 6.854 6.854 8.038 -1.184 17668 5106 1 14 . 1 1 28 28 LEU N N 33 123.008 123.008 120.297 2.711 17668 5107 1 14 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.118 0.084 17668 5108 1 14 . 1 1 28 28 LEU C C 33 176.412 176.412 176.293 0.119 17668 5109 1 14 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.552 -1.303 17668 5110 1 14 . 1 1 28 28 LEU CB C 33 41.739 41.739 41.364 0.375 17668 5111 1 14 . 1 1 28 28 LEU H H 33 7.501 7.501 7.512 -0.011 17668 5112 1 14 . 1 1 29 29 LYS N N 34 127.383 127.383 115.782 11.601 17668 5113 1 14 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.003 -0.129 17668 5114 1 14 . 1 1 29 29 LYS C C 34 176.412 176.412 177.411 -0.999 17668 5115 1 14 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.521 1.721 17668 5116 1 14 . 1 1 29 29 LYS CB C 34 31.746 31.746 33.012 -1.266 17668 5117 1 14 . 1 1 29 29 LYS H H 34 8.341 8.341 7.468 0.873 17668 5118 1 14 . 1 1 30 30 GLY N N 35 111.524 111.524 110.180 1.344 17668 5119 1 14 . 1 1 30 30 GLY C C 35 175.715 175.715 174.255 1.460 17668 5120 1 14 . 1 1 30 30 GLY CA C 35 45.488 45.488 46.274 -0.786 17668 5121 1 14 . 1 1 30 30 GLY H H 35 8.509 8.509 8.571 -0.062 17668 5122 1 14 . 1 1 31 31 VAL N N 36 122.461 122.461 119.807 2.654 17668 5123 1 14 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.067 -0.193 17668 5124 1 14 . 1 1 31 31 VAL C C 36 175.032 175.032 175.039 -0.007 17668 5125 1 14 . 1 1 31 31 VAL CA C 36 63.757 63.757 62.680 1.077 17668 5126 1 14 . 1 1 31 31 VAL CB C 36 31.250 31.250 31.394 -0.144 17668 5127 1 14 . 1 1 31 31 VAL H H 36 7.892 7.892 7.679 0.213 17668 5128 1 14 . 1 1 32 32 ALA N N 37 131.758 131.758 130.787 0.971 17668 5129 1 14 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.506 -0.141 17668 5130 1 14 . 1 1 32 32 ALA C C 37 177.619 177.619 177.216 0.403 17668 5131 1 14 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.603 0.643 17668 5132 1 14 . 1 1 32 32 ALA CB C 37 20.722 20.722 20.532 0.190 17668 5133 1 14 . 1 1 32 32 ALA H H 37 9.042 9.042 8.827 0.215 17668 5134 1 14 . 1 1 33 33 GLU N N 38 114.258 114.258 116.859 -2.601 17668 5135 1 14 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.581 -0.080 17668 5136 1 14 . 1 1 33 33 GLU C C 38 173.651 173.651 174.026 -0.375 17668 5137 1 14 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.435 -0.858 17668 5138 1 14 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.466 1.200 17668 5139 1 14 . 1 1 33 33 GLU H H 38 7.555 7.555 7.856 -0.301 17668 5140 1 14 . 1 1 34 34 ALA N N 39 125.742 125.742 126.862 -1.120 17668 5141 1 14 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.095 0.006 17668 5142 1 14 . 1 1 34 34 ALA C C 39 175.033 175.033 175.550 -0.517 17668 5143 1 14 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.835 -0.555 17668 5144 1 14 . 1 1 34 34 ALA CB C 39 23.237 23.237 21.992 1.245 17668 5145 1 14 . 1 1 34 34 ALA H H 39 9.014 9.014 8.539 0.475 17668 5146 1 14 . 1 1 35 35 SER N N 40 113.711 113.711 116.306 -2.595 17668 5147 1 14 . 1 1 35 35 SER HA H 40 4.855 4.855 5.224 -0.369 17668 5148 1 14 . 1 1 35 35 SER C C 40 173.824 173.824 173.491 0.333 17668 5149 1 14 . 1 1 35 35 SER CA C 40 56.254 56.254 58.083 -1.829 17668 5150 1 14 . 1 1 35 35 SER CB C 40 65.255 65.255 65.078 0.177 17668 5151 1 14 . 1 1 35 35 SER H H 40 8.481 8.481 8.463 0.018 17668 5152 1 14 . 1 1 36 36 VAL N N 41 129.570 129.570 122.485 7.085 17668 5153 1 14 . 1 1 36 36 VAL C C 41 175.204 175.204 175.251 -0.047 17668 5154 1 14 . 1 1 36 36 VAL CA C 41 60.265 60.265 60.738 -0.473 17668 5155 1 14 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.813 0.930 17668 5156 1 14 . 1 1 36 36 VAL H H 41 10.164 10.164 9.297 0.867 17668 5157 1 14 . 1 1 37 37 THR N N 42 123.008 123.008 117.206 5.802 17668 5158 1 14 . 1 1 37 37 THR HA H 42 4.392 4.392 4.717 -0.325 17668 5159 1 14 . 1 1 37 37 THR C C 42 175.030 175.030 174.156 0.874 17668 5160 1 14 . 1 1 37 37 THR CA C 42 60.760 60.760 60.468 0.292 17668 5161 1 14 . 1 1 37 37 THR CB C 42 69.255 69.255 70.916 -1.661 17668 5162 1 14 . 1 1 37 37 THR H H 42 8.453 8.453 8.472 -0.019 17668 5163 1 14 . 1 1 38 38 VAL N N 43 128.476 128.476 129.888 -1.412 17668 5164 1 14 . 1 1 38 38 VAL HA H 43 3.302 3.302 4.323 -1.021 17668 5165 1 14 . 1 1 38 38 VAL C C 43 176.067 176.067 177.610 -1.543 17668 5166 1 14 . 1 1 38 38 VAL CA C 43 63.268 63.268 64.759 -1.491 17668 5167 1 14 . 1 1 38 38 VAL CB C 43 32.227 32.227 32.074 0.153 17668 5168 1 14 . 1 1 38 38 VAL H H 43 8.789 8.789 8.845 -0.056 17668 5169 1 14 . 1 1 39 39 ALA N N 44 119.180 119.180 122.033 -2.853 17668 5170 1 14 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.035 -0.051 17668 5171 1 14 . 1 1 39 39 ALA C C 44 179.167 179.167 178.916 0.251 17668 5172 1 14 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.785 0.440 17668 5173 1 14 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.335 0.660 17668 5174 1 14 . 1 1 39 39 ALA H H 44 8.509 8.509 8.275 0.234 17668 5175 1 14 . 1 1 40 40 THR N N 45 135.586 135.586 110.329 25.257 17668 5176 1 14 . 1 1 40 40 THR HA H 45 4.338 4.338 4.202 0.136 17668 5177 1 14 . 1 1 40 40 THR C C 45 176.237 176.237 174.969 1.268 17668 5178 1 14 . 1 1 40 40 THR CA C 45 60.254 60.254 63.120 -2.866 17668 5179 1 14 . 1 1 40 40 THR CB C 45 70.261 70.261 69.534 0.727 17668 5180 1 14 . 1 1 40 40 THR H H 45 6.713 6.713 7.490 -0.777 17668 5181 1 14 . 1 1 41 41 GLY N N 46 110.977 110.977 109.690 1.287 17668 5182 1 14 . 1 1 41 41 GLY C C 46 172.096 172.096 173.199 -1.103 17668 5183 1 14 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.265 0.960 17668 5184 1 14 . 1 1 41 41 GLY H H 46 7.835 7.835 8.187 -0.352 17668 5185 1 14 . 1 1 42 42 ARG N N 47 118.086 118.086 116.952 1.134 17668 5186 1 14 . 1 1 42 42 ARG C C 47 175.032 175.032 173.750 1.282 17668 5187 1 14 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.483 1.767 17668 5188 1 14 . 1 1 42 42 ARG CB C 47 31.739 31.739 34.937 -3.198 17668 5189 1 14 . 1 1 42 42 ARG H H 47 7.303 7.303 8.087 -0.784 17668 5190 1 14 . 1 1 43 43 LEU N N 48 129.023 129.023 120.162 8.861 17668 5191 1 14 . 1 1 43 43 LEU HA H 48 5.019 5.019 4.743 0.276 17668 5192 1 14 . 1 1 43 43 LEU C C 48 175.033 175.033 175.146 -0.113 17668 5193 1 14 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.437 -0.187 17668 5194 1 14 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.395 -1.313 17668 5195 1 14 . 1 1 43 43 LEU H H 48 8.986 8.986 8.376 0.610 17668 5196 1 14 . 1 1 44 44 THR N N 49 123.008 123.008 119.875 3.133 17668 5197 1 14 . 1 1 44 44 THR HA H 49 4.964 4.964 5.278 -0.314 17668 5198 1 14 . 1 1 44 44 THR C C 49 173.475 173.475 172.865 0.610 17668 5199 1 14 . 1 1 44 44 THR CA C 49 61.752 61.752 61.822 -0.070 17668 5200 1 14 . 1 1 44 44 THR CB C 49 69.756 69.756 70.152 -0.396 17668 5201 1 14 . 1 1 44 44 THR H H 49 9.154 9.154 8.123 1.031 17668 5202 1 14 . 1 1 45 45 VAL N N 50 125.195 125.195 126.815 -1.620 17668 5203 1 14 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.937 0.245 17668 5204 1 14 . 1 1 45 45 VAL C C 50 172.614 172.614 173.610 -0.996 17668 5205 1 14 . 1 1 45 45 VAL CA C 50 58.762 58.762 59.858 -1.096 17668 5206 1 14 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.060 -0.608 17668 5207 1 14 . 1 1 45 45 VAL H H 50 9.071 9.071 9.242 -0.171 17668 5208 1 14 . 1 1 46 46 THR N N 51 124.648 124.648 125.349 -0.701 17668 5209 1 14 . 1 1 46 46 THR HA H 51 5.782 5.782 5.411 0.371 17668 5210 1 14 . 1 1 46 46 THR C C 51 174.684 174.684 173.591 1.093 17668 5211 1 14 . 1 1 46 46 THR CA C 51 61.248 61.248 61.317 -0.069 17668 5212 1 14 . 1 1 46 46 THR CB C 51 70.265 70.265 69.747 0.518 17668 5213 1 14 . 1 1 46 46 THR H H 51 8.930 8.930 9.104 -0.174 17668 5214 1 14 . 1 1 47 47 TYR N N 52 124.648 124.648 123.232 1.416 17668 5215 1 14 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.045 0.246 17668 5216 1 14 . 1 1 47 47 TYR C C 52 171.408 171.408 172.632 -1.224 17668 5217 1 14 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.845 -0.600 17668 5218 1 14 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.501 0.253 17668 5219 1 14 . 1 1 47 47 TYR H H 52 9.603 9.603 8.829 0.774 17668 5220 1 14 . 1 1 48 48 ASP N N 53 119.180 119.180 121.234 -2.054 17668 5221 1 14 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.044 -0.079 17668 5222 1 14 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.401 -0.392 17668 5223 1 14 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.160 -1.602 17668 5224 1 14 . 1 1 48 48 ASP H H 53 8.481 8.481 8.479 0.002 17668 5225 1 14 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.889 0.484 17668 5226 1 14 . 1 1 49 49 PRO C C 54 178.311 178.311 176.056 2.255 17668 5227 1 14 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.664 -0.401 17668 5228 1 14 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.280 0.963 17668 5229 1 14 . 1 1 50 50 LYS N N 55 116.992 116.992 116.509 0.483 17668 5230 1 14 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.426 -0.306 17668 5231 1 14 . 1 1 50 50 LYS C C 55 177.802 177.802 177.992 -0.190 17668 5232 1 14 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.339 1.387 17668 5233 1 14 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.288 -1.423 17668 5234 1 14 . 1 1 50 50 LYS H H 55 8.284 8.284 7.800 0.484 17668 5235 1 14 . 1 1 51 51 GLN N N 56 115.352 115.352 120.395 -5.043 17668 5236 1 14 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.203 0.108 17668 5237 1 14 . 1 1 51 51 GLN C C 56 175.031 175.031 176.921 -1.890 17668 5238 1 14 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.758 -2.002 17668 5239 1 14 . 1 1 51 51 GLN CB C 56 33.752 33.752 29.992 3.760 17668 5240 1 14 . 1 1 51 51 GLN H H 56 7.864 7.864 8.776 -0.912 17668 5241 1 14 . 1 1 52 52 VAL N N 57 120.273 120.273 110.548 9.725 17668 5242 1 14 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.582 -0.189 17668 5243 1 14 . 1 1 52 52 VAL C C 57 170.718 170.718 173.756 -3.038 17668 5244 1 14 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.447 0.325 17668 5245 1 14 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.698 -0.470 17668 5246 1 14 . 1 1 52 52 VAL H H 57 8.172 8.172 8.019 0.153 17668 5247 1 14 . 1 1 53 53 SER N N 58 116.992 116.992 113.705 3.287 17668 5248 1 14 . 1 1 53 53 SER C C 58 175.377 175.377 175.028 0.349 17668 5249 1 14 . 1 1 53 53 SER CA C 58 55.251 55.251 57.163 -1.912 17668 5250 1 14 . 1 1 53 53 SER CB C 58 66.750 66.750 66.607 0.143 17668 5251 1 14 . 1 1 53 53 SER H H 58 7.611 7.611 8.115 -0.504 17668 5252 1 14 . 1 1 54 54 GLU N N 59 120.820 120.820 122.436 -1.616 17668 5253 1 14 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.730 -0.372 17668 5254 1 14 . 1 1 54 54 GLU C C 59 178.308 178.308 178.184 0.124 17668 5255 1 14 . 1 1 54 54 GLU CA C 59 59.743 59.743 59.316 0.427 17668 5256 1 14 . 1 1 54 54 GLU CB C 59 29.240 29.240 29.445 -0.205 17668 5257 1 14 . 1 1 54 54 GLU H H 59 8.930 8.930 8.897 0.033 17668 5258 1 14 . 1 1 55 55 ILE N N 60 118.086 118.086 119.371 -1.285 17668 5259 1 14 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.650 0.088 17668 5260 1 14 . 1 1 55 55 ILE C C 60 177.448 177.448 177.816 -0.368 17668 5261 1 14 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.619 -0.870 17668 5262 1 14 . 1 1 55 55 ILE CB C 60 37.515 37.515 37.539 -0.024 17668 5263 1 14 . 1 1 55 55 ILE H H 60 7.583 7.583 7.479 0.104 17668 5264 1 14 . 1 1 56 56 THR N N 61 119.727 119.727 113.487 6.240 17668 5265 1 14 . 1 1 56 56 THR HA H 61 3.766 3.766 4.024 -0.258 17668 5266 1 14 . 1 1 56 56 THR C C 61 177.104 177.104 175.578 1.526 17668 5267 1 14 . 1 1 56 56 THR CA C 61 66.264 66.264 66.543 -0.279 17668 5268 1 14 . 1 1 56 56 THR CB C 61 68.245 68.245 68.626 -0.381 17668 5269 1 14 . 1 1 56 56 THR H H 61 7.471 7.471 7.981 -0.510 17668 5270 1 14 . 1 1 57 57 ILE N N 62 121.367 121.367 119.178 2.189 17668 5271 1 14 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.138 -1.107 17668 5272 1 14 . 1 1 57 57 ILE C C 62 176.756 176.756 176.787 -0.031 17668 5273 1 14 . 1 1 57 57 ILE CA C 62 65.760 65.760 61.800 3.960 17668 5274 1 14 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.545 -0.294 17668 5275 1 14 . 1 1 57 57 ILE H H 62 7.259 7.259 7.272 -0.013 17668 5276 1 14 . 1 1 58 58 GLN N N 63 117.539 117.539 121.685 -4.146 17668 5277 1 14 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.945 -0.343 17668 5278 1 14 . 1 1 58 58 GLN C C 63 179.172 179.172 178.111 1.061 17668 5279 1 14 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.294 0.461 17668 5280 1 14 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.402 -0.668 17668 5281 1 14 . 1 1 58 58 GLN H H 63 7.976 7.976 8.536 -0.560 17668 5282 1 14 . 1 1 59 59 GLU N N 64 119.180 119.180 117.958 1.222 17668 5283 1 14 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.140 -0.266 17668 5284 1 14 . 1 1 59 59 GLU C C 64 179.866 179.866 177.493 2.373 17668 5285 1 14 . 1 1 59 59 GLU CA C 64 59.259 59.259 58.072 1.187 17668 5286 1 14 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.185 0.515 17668 5287 1 14 . 1 1 59 59 GLU H H 64 8.622 8.622 8.235 0.387 17668 5288 1 14 . 1 1 60 60 ARG N N 65 119.727 119.727 119.224 0.503 17668 5289 1 14 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.482 -0.389 17668 5290 1 14 . 1 1 60 60 ARG C C 65 178.310 178.310 177.518 0.792 17668 5291 1 14 . 1 1 60 60 ARG CA C 65 57.256 57.256 56.814 0.442 17668 5292 1 14 . 1 1 60 60 ARG CB C 65 28.748 28.748 30.990 -2.242 17668 5293 1 14 . 1 1 60 60 ARG H H 65 7.891 7.891 7.505 0.386 17668 5294 1 14 . 1 1 61 61 ILE N N 66 118.086 118.086 122.059 -3.973 17668 5295 1 14 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.776 -0.229 17668 5296 1 14 . 1 1 61 61 ILE C C 66 178.311 178.311 177.478 0.833 17668 5297 1 14 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.895 -1.151 17668 5298 1 14 . 1 1 61 61 ILE CB C 66 37.681 37.681 38.006 -0.325 17668 5299 1 14 . 1 1 61 61 ILE H H 66 7.443 7.443 8.631 -1.188 17668 5300 1 14 . 1 1 62 62 ALA N N 67 121.914 121.914 120.115 1.799 17668 5301 1 14 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.659 -0.130 17668 5302 1 14 . 1 1 62 62 ALA C C 67 182.626 182.626 178.522 4.104 17668 5303 1 14 . 1 1 62 62 ALA CA C 67 54.250 54.250 53.714 0.536 17668 5304 1 14 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.524 -0.789 17668 5305 1 14 . 1 1 62 62 ALA H H 67 8.116 8.116 8.393 -0.277 17668 5306 1 14 . 1 1 63 63 ALA N N 68 121.367 121.367 121.761 -0.394 17668 5307 1 14 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.226 -0.214 17668 5308 1 14 . 1 1 63 63 ALA C C 68 179.690 179.690 179.018 0.672 17668 5309 1 14 . 1 1 63 63 ALA CA C 68 54.259 54.259 53.972 0.287 17668 5310 1 14 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.768 -0.547 17668 5311 1 14 . 1 1 63 63 ALA H H 68 7.948 7.948 7.371 0.577 17668 5312 1 14 . 1 1 64 64 LEU N N 69 116.445 116.445 119.079 -2.634 17668 5313 1 14 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.194 -0.047 17668 5314 1 14 . 1 1 64 64 LEU C C 69 176.931 176.931 177.509 -0.578 17668 5315 1 14 . 1 1 64 64 LEU CA C 69 55.245 55.245 55.962 -0.716 17668 5316 1 14 . 1 1 64 64 LEU CB C 69 43.241 43.241 42.668 0.573 17668 5317 1 14 . 1 1 64 64 LEU H H 69 7.247 7.247 8.374 -1.127 17668 5318 1 14 . 1 1 65 65 GLY N N 70 103.867 103.867 103.123 0.744 17668 5319 1 14 . 1 1 65 65 GLY C C 70 173.651 173.651 173.857 -0.206 17668 5320 1 14 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.490 -0.018 17668 5321 1 14 . 1 1 65 65 GLY H H 70 7.668 7.668 7.554 0.114 17668 5322 1 14 . 1 1 66 66 TYR N N 71 119.180 119.180 119.987 -0.807 17668 5323 1 14 . 1 1 66 66 TYR C C 71 174.513 174.513 175.242 -0.729 17668 5324 1 14 . 1 1 66 66 TYR CA C 71 57.020 57.020 57.082 -0.062 17668 5325 1 14 . 1 1 66 66 TYR CB C 71 39.502 39.502 41.021 -1.519 17668 5326 1 14 . 1 1 66 66 TYR H H 71 6.798 6.798 8.411 -1.613 17668 5327 1 14 . 1 1 67 67 THR N N 72 109.883 109.883 113.785 -3.902 17668 5328 1 14 . 1 1 67 67 THR C C 72 173.998 173.998 172.880 1.118 17668 5329 1 14 . 1 1 67 67 THR CA C 72 60.249 60.249 61.748 -1.499 17668 5330 1 14 . 1 1 67 67 THR CB C 72 71.254 71.254 70.732 0.522 17668 5331 1 14 . 1 1 67 67 THR H H 72 8.144 8.144 8.120 0.024 17668 5332 1 14 . 1 1 68 68 LEU N N 73 122.461 122.461 121.784 0.677 17668 5333 1 14 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.250 -0.204 17668 5334 1 14 . 1 1 68 68 LEU C C 73 174.168 174.168 175.526 -1.358 17668 5335 1 14 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.017 0.235 17668 5336 1 14 . 1 1 68 68 LEU CB C 73 43.743 43.743 43.520 0.223 17668 5337 1 14 . 1 1 68 68 LEU H H 73 8.397 8.397 8.447 -0.050 17668 5338 1 14 . 1 1 69 69 ALA N N 74 125.195 125.195 122.934 2.261 17668 5339 1 14 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.720 -0.382 17668 5340 1 14 . 1 1 69 69 ALA C C 74 176.931 176.931 175.812 1.119 17668 5341 1 14 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.264 3.990 17668 5342 1 14 . 1 1 69 69 ALA CB C 74 18.225 18.225 21.219 -2.994 17668 5343 1 14 . 1 1 69 69 ALA H H 74 8.200 8.200 8.395 -0.195 17668 5344 1 14 . 1 1 70 70 GLU N N 75 120.820 120.820 124.320 -3.500 17668 5345 1 14 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.808 -0.334 17668 5346 1 14 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.011 2.447 17668 5347 1 14 . 1 1 70 70 GLU CB C 75 29.591 29.591 32.004 -2.413 17668 5348 1 14 . 1 1 70 70 GLU H H 75 8.397 8.397 8.662 -0.265 17668 5349 1 15 . 1 1 2 2 LEU N N 7 119.727 119.727 117.426 2.301 17668 5350 1 15 . 1 1 2 2 LEU HA H 7 4.338 4.338 5.098 -0.760 17668 5351 1 15 . 1 1 2 2 LEU C C 7 176.410 176.410 175.553 0.857 17668 5352 1 15 . 1 1 2 2 LEU CA C 7 54.010 54.010 53.719 0.291 17668 5353 1 15 . 1 1 2 2 LEU CB C 7 43.226 43.226 45.676 -2.450 17668 5354 1 15 . 1 1 2 2 LEU H H 7 7.919 7.919 8.174 -0.255 17668 5355 1 15 . 1 1 3 3 LYS N N 8 123.008 123.008 117.709 5.299 17668 5356 1 15 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.590 -0.225 17668 5357 1 15 . 1 1 3 3 LYS C C 8 174.512 174.512 175.146 -0.634 17668 5358 1 15 . 1 1 3 3 LYS CA C 8 54.741 54.741 55.382 -0.640 17668 5359 1 15 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.147 0.576 17668 5360 1 15 . 1 1 3 3 LYS H H 8 8.650 8.650 8.561 0.089 17668 5361 1 15 . 1 1 4 4 THR N N 9 120.273 120.273 116.077 4.196 17668 5362 1 15 . 1 1 4 4 THR HA H 9 5.372 5.372 4.474 0.898 17668 5363 1 15 . 1 1 4 4 THR C C 9 174.170 174.170 174.288 -0.118 17668 5364 1 15 . 1 1 4 4 THR CA C 9 61.756 61.756 62.302 -0.546 17668 5365 1 15 . 1 1 4 4 THR CB C 9 70.757 70.757 69.800 0.957 17668 5366 1 15 . 1 1 4 4 THR H H 9 8.481 8.481 8.287 0.194 17668 5367 1 15 . 1 1 5 5 GLN N N 10 126.836 126.836 122.587 4.249 17668 5368 1 15 . 1 1 5 5 GLN C C 10 173.651 173.651 173.632 0.019 17668 5369 1 15 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.303 -1.067 17668 5370 1 15 . 1 1 5 5 GLN CB C 10 34.484 34.484 31.896 2.588 17668 5371 1 15 . 1 1 5 5 GLN H H 10 9.295 9.295 8.282 1.013 17668 5372 1 15 . 1 1 6 6 GLN N N 11 121.367 121.367 125.763 -4.396 17668 5373 1 15 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.413 0.233 17668 5374 1 15 . 1 1 6 6 GLN C C 11 176.069 176.069 175.161 0.908 17668 5375 1 15 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.785 -1.025 17668 5376 1 15 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.329 -0.092 17668 5377 1 15 . 1 1 6 6 GLN H H 11 8.425 8.425 8.617 -0.192 17668 5378 1 15 . 1 1 7 7 MET N N 12 120.273 120.273 117.669 2.604 17668 5379 1 15 . 1 1 7 7 MET C C 12 173.824 173.824 173.706 0.118 17668 5380 1 15 . 1 1 7 7 MET CA C 12 54.598 54.598 54.475 0.123 17668 5381 1 15 . 1 1 7 7 MET CB C 12 37.258 37.258 37.026 0.232 17668 5382 1 15 . 1 1 7 7 MET H H 12 9.294 9.294 9.000 0.294 17668 5383 1 15 . 1 1 8 8 GLN N N 13 122.461 122.461 120.804 1.657 17668 5384 1 15 . 1 1 8 8 GLN C C 13 174.863 174.863 174.175 0.688 17668 5385 1 15 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.840 -0.087 17668 5386 1 15 . 1 1 8 8 GLN CB C 13 30.243 30.243 31.826 -1.583 17668 5387 1 15 . 1 1 8 8 GLN H H 13 8.790 8.790 8.463 0.327 17668 5388 1 15 . 1 1 9 9 VAL N N 14 126.289 126.289 122.182 4.107 17668 5389 1 15 . 1 1 9 9 VAL C C 14 176.586 176.586 173.660 2.926 17668 5390 1 15 . 1 1 9 9 VAL CA C 14 61.255 61.255 59.546 1.709 17668 5391 1 15 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.152 -1.685 17668 5392 1 15 . 1 1 9 9 VAL H H 14 8.930 8.930 8.804 0.126 17668 5393 1 15 . 1 1 10 10 GLY N N 15 117.539 117.539 113.816 3.723 17668 5394 1 15 . 1 1 10 10 GLY C C 15 173.997 173.997 174.474 -0.477 17668 5395 1 15 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.715 -0.470 17668 5396 1 15 . 1 1 10 10 GLY H H 15 9.351 9.351 8.473 0.878 17668 5397 1 15 . 1 1 11 11 GLY N N 16 107.149 107.149 112.604 -5.455 17668 5398 1 15 . 1 1 11 11 GLY C C 16 176.067 176.067 175.044 1.023 17668 5399 1 15 . 1 1 11 11 GLY CA C 16 45.256 45.256 46.429 -1.173 17668 5400 1 15 . 1 1 11 11 GLY H H 16 8.284 8.284 8.589 -0.305 17668 5401 1 15 . 1 1 12 12 MET N N 17 118.633 118.633 118.594 0.039 17668 5402 1 15 . 1 1 12 12 MET C C 17 177.102 177.102 175.863 1.239 17668 5403 1 15 . 1 1 12 12 MET CA C 17 57.740 57.740 54.828 2.912 17668 5404 1 15 . 1 1 12 12 MET CB C 17 34.243 34.243 30.827 3.416 17668 5405 1 15 . 1 1 12 12 MET H H 17 8.509 8.509 7.789 0.720 17668 5406 1 15 . 1 1 13 13 ARG N N 18 126.836 126.836 118.419 8.417 17668 5407 1 15 . 1 1 13 13 ARG C C 18 175.032 175.032 175.465 -0.433 17668 5408 1 15 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.545 0.693 17668 5409 1 15 . 1 1 13 13 ARG CB C 18 32.744 32.744 27.351 5.394 17668 5410 1 15 . 1 1 13 13 ARG H H 18 10.782 10.782 7.867 2.915 17668 5411 1 15 . 1 1 14 14 CYS N N 19 114.805 114.805 121.482 -6.677 17668 5412 1 15 . 1 1 14 14 CYS CA C 19 56.217 56.217 57.601 -1.384 17668 5413 1 15 . 1 1 14 14 CYS CB C 19 30.413 30.413 30.273 0.140 17668 5414 1 15 . 1 1 14 14 CYS H H 19 8.425 8.425 8.380 0.045 17668 5415 1 15 . 1 1 15 15 ALA CA C 20 51.257 51.257 54.643 -3.386 17668 5416 1 15 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.728 0.519 17668 5417 1 15 . 1 1 16 16 ALA N N 21 118.906 118.906 119.816 -0.910 17668 5418 1 15 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.228 -0.081 17668 5419 1 15 . 1 1 16 16 ALA C C 21 180.553 180.553 178.724 1.829 17668 5420 1 15 . 1 1 16 16 ALA CA C 21 54.756 54.756 53.924 0.832 17668 5421 1 15 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.836 -0.603 17668 5422 1 15 . 1 1 17 17 CYS N N 22 121.914 121.914 118.270 3.644 17668 5423 1 15 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.396 -0.575 17668 5424 1 15 . 1 1 17 17 CYS C C 22 177.966 177.966 176.959 1.007 17668 5425 1 15 . 1 1 17 17 CYS CA C 22 64.748 64.748 60.719 4.029 17668 5426 1 15 . 1 1 17 17 CYS CB C 22 29.245 29.245 26.739 2.506 17668 5427 1 15 . 1 1 17 17 CYS H H 22 7.640 7.640 7.472 0.168 17668 5428 1 15 . 1 1 18 18 ALA N N 23 119.180 119.180 123.067 -3.887 17668 5429 1 15 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.904 -0.301 17668 5430 1 15 . 1 1 18 18 ALA C C 23 179.173 179.173 179.014 0.159 17668 5431 1 15 . 1 1 18 18 ALA CA C 23 55.258 55.258 55.500 -0.242 17668 5432 1 15 . 1 1 18 18 ALA CB C 23 18.741 18.741 17.999 0.742 17668 5433 1 15 . 1 1 18 18 ALA H H 23 6.629 6.629 8.493 -1.864 17668 5434 1 15 . 1 1 19 19 SER N N 24 112.618 112.618 113.116 -0.498 17668 5435 1 15 . 1 1 19 19 SER HA H 24 4.147 4.147 4.202 -0.055 17668 5436 1 15 . 1 1 19 19 SER C C 24 176.764 176.764 176.464 0.300 17668 5437 1 15 . 1 1 19 19 SER CA C 24 61.259 61.259 61.059 0.200 17668 5438 1 15 . 1 1 19 19 SER CB C 24 62.754 62.754 62.848 -0.094 17668 5439 1 15 . 1 1 19 19 SER H H 24 7.752 7.752 8.209 -0.457 17668 5440 1 15 . 1 1 20 20 SER N N 25 116.992 116.992 119.329 -2.337 17668 5441 1 15 . 1 1 20 20 SER HA H 25 3.521 3.521 4.237 -0.716 17668 5442 1 15 . 1 1 20 20 SER C C 25 177.448 177.448 176.462 0.986 17668 5443 1 15 . 1 1 20 20 SER CA C 25 61.870 61.870 61.935 -0.065 17668 5444 1 15 . 1 1 20 20 SER CB C 25 62.751 62.751 62.876 -0.125 17668 5445 1 15 . 1 1 20 20 SER H H 25 7.989 7.989 7.387 0.602 17668 5446 1 15 . 1 1 21 21 ILE N N 26 122.461 122.461 123.280 -0.819 17668 5447 1 15 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.693 -0.363 17668 5448 1 15 . 1 1 21 21 ILE C C 26 176.930 176.930 177.549 -0.619 17668 5449 1 15 . 1 1 21 21 ILE CA C 26 66.255 66.255 65.444 0.811 17668 5450 1 15 . 1 1 21 21 ILE CB C 26 38.237 38.237 37.864 0.373 17668 5451 1 15 . 1 1 21 21 ILE H H 26 7.583 7.583 7.581 0.002 17668 5452 1 15 . 1 1 22 22 GLU N N 27 116.992 116.992 118.775 -1.783 17668 5453 1 15 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.977 -0.511 17668 5454 1 15 . 1 1 22 22 GLU C C 27 178.916 178.916 179.246 -0.330 17668 5455 1 15 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.185 1.568 17668 5456 1 15 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.334 0.373 17668 5457 1 15 . 1 1 22 22 GLU H H 27 8.004 8.004 8.115 -0.111 17668 5458 1 15 . 1 1 23 23 ARG N N 28 114.805 114.805 119.266 -4.461 17668 5459 1 15 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.046 -0.090 17668 5460 1 15 . 1 1 23 23 ARG C C 28 179.517 179.517 177.524 1.993 17668 5461 1 15 . 1 1 23 23 ARG CA C 28 58.752 58.752 59.140 -0.388 17668 5462 1 15 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.287 0.459 17668 5463 1 15 . 1 1 23 23 ARG H H 28 8.256 8.256 8.362 -0.106 17668 5464 1 15 . 1 1 24 24 ALA N N 29 118.633 118.633 120.167 -1.534 17668 5465 1 15 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.411 -0.454 17668 5466 1 15 . 1 1 24 24 ALA C C 29 181.073 181.073 179.342 1.731 17668 5467 1 15 . 1 1 24 24 ALA CA C 29 54.749 54.749 52.644 2.105 17668 5468 1 15 . 1 1 24 24 ALA CB C 29 18.729 18.729 19.505 -0.776 17668 5469 1 15 . 1 1 24 24 ALA H H 29 7.555 7.555 7.588 -0.033 17668 5470 1 15 . 1 1 25 25 LEU N N 30 115.899 115.899 121.270 -5.371 17668 5471 1 15 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.025 -0.041 17668 5472 1 15 . 1 1 25 25 LEU C C 30 178.658 178.658 178.502 0.156 17668 5473 1 15 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.810 -0.589 17668 5474 1 15 . 1 1 25 25 LEU CB C 30 41.248 41.248 42.099 -0.851 17668 5475 1 15 . 1 1 25 25 LEU H H 30 7.976 7.976 8.086 -0.110 17668 5476 1 15 . 1 1 26 26 GLU N N 31 115.899 115.899 116.842 -0.943 17668 5477 1 15 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.292 -0.554 17668 5478 1 15 . 1 1 26 26 GLU C C 31 177.793 177.793 177.705 0.088 17668 5479 1 15 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.744 0.983 17668 5480 1 15 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.864 -0.624 17668 5481 1 15 . 1 1 26 26 GLU H H 31 8.116 8.116 7.700 0.416 17668 5482 1 15 . 1 1 27 27 ARG N N 32 114.258 114.258 117.628 -3.370 17668 5483 1 15 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.456 -0.309 17668 5484 1 15 . 1 1 27 27 ARG C C 32 176.757 176.757 176.538 0.219 17668 5485 1 15 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.518 0.732 17668 5486 1 15 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.460 -0.716 17668 5487 1 15 . 1 1 27 27 ARG H H 32 6.854 6.854 7.878 -1.024 17668 5488 1 15 . 1 1 28 28 LEU N N 33 123.008 123.008 122.158 0.850 17668 5489 1 15 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.263 -0.061 17668 5490 1 15 . 1 1 28 28 LEU C C 33 176.412 176.412 176.486 -0.074 17668 5491 1 15 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.169 -0.920 17668 5492 1 15 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.362 -0.623 17668 5493 1 15 . 1 1 28 28 LEU H H 33 7.501 7.501 7.433 0.068 17668 5494 1 15 . 1 1 29 29 LYS N N 34 127.383 127.383 122.627 4.756 17668 5495 1 15 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.210 -0.336 17668 5496 1 15 . 1 1 29 29 LYS C C 34 176.412 176.412 177.924 -1.512 17668 5497 1 15 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.826 1.416 17668 5498 1 15 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.981 -1.235 17668 5499 1 15 . 1 1 29 29 LYS H H 34 8.341 8.341 8.179 0.162 17668 5500 1 15 . 1 1 30 30 GLY N N 35 111.524 111.524 110.838 0.686 17668 5501 1 15 . 1 1 30 30 GLY C C 35 175.715 175.715 174.494 1.221 17668 5502 1 15 . 1 1 30 30 GLY CA C 35 45.488 45.488 46.048 -0.560 17668 5503 1 15 . 1 1 30 30 GLY H H 35 8.509 8.509 8.705 -0.196 17668 5504 1 15 . 1 1 31 31 VAL N N 36 122.461 122.461 122.696 -0.235 17668 5505 1 15 . 1 1 31 31 VAL HA H 36 3.874 3.874 3.851 0.023 17668 5506 1 15 . 1 1 31 31 VAL C C 36 175.032 175.032 174.574 0.458 17668 5507 1 15 . 1 1 31 31 VAL CA C 36 63.757 63.757 63.290 0.467 17668 5508 1 15 . 1 1 31 31 VAL CB C 36 31.250 31.250 31.846 -0.596 17668 5509 1 15 . 1 1 31 31 VAL H H 36 7.892 7.892 7.857 0.035 17668 5510 1 15 . 1 1 32 32 ALA N N 37 131.758 131.758 130.509 1.249 17668 5511 1 15 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.584 -0.219 17668 5512 1 15 . 1 1 32 32 ALA C C 37 177.619 177.619 176.703 0.916 17668 5513 1 15 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.496 0.750 17668 5514 1 15 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.418 -0.696 17668 5515 1 15 . 1 1 32 32 ALA H H 37 9.042 9.042 9.045 -0.003 17668 5516 1 15 . 1 1 33 33 GLU N N 38 114.258 114.258 116.803 -2.545 17668 5517 1 15 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.613 -0.112 17668 5518 1 15 . 1 1 33 33 GLU C C 38 173.651 173.651 173.913 -0.262 17668 5519 1 15 . 1 1 33 33 GLU CA C 38 55.577 55.577 55.514 0.063 17668 5520 1 15 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.143 1.523 17668 5521 1 15 . 1 1 33 33 GLU H H 38 7.555 7.555 7.704 -0.149 17668 5522 1 15 . 1 1 34 34 ALA N N 39 125.742 125.742 125.072 0.670 17668 5523 1 15 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.045 0.056 17668 5524 1 15 . 1 1 34 34 ALA C C 39 175.033 175.033 175.670 -0.637 17668 5525 1 15 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.348 -0.068 17668 5526 1 15 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.208 1.029 17668 5527 1 15 . 1 1 34 34 ALA H H 39 9.014 9.014 8.516 0.498 17668 5528 1 15 . 1 1 35 35 SER N N 40 113.711 113.711 114.321 -0.610 17668 5529 1 15 . 1 1 35 35 SER HA H 40 4.855 4.855 4.680 0.175 17668 5530 1 15 . 1 1 35 35 SER C C 40 173.824 173.824 172.418 1.406 17668 5531 1 15 . 1 1 35 35 SER CA C 40 56.254 56.254 58.194 -1.940 17668 5532 1 15 . 1 1 35 35 SER CB C 40 65.255 65.255 64.601 0.654 17668 5533 1 15 . 1 1 35 35 SER H H 40 8.481 8.481 8.861 -0.380 17668 5534 1 15 . 1 1 36 36 VAL N N 41 129.570 129.570 125.393 4.177 17668 5535 1 15 . 1 1 36 36 VAL C C 41 175.204 175.204 176.155 -0.951 17668 5536 1 15 . 1 1 36 36 VAL CA C 41 60.265 60.265 61.222 -0.957 17668 5537 1 15 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.954 0.789 17668 5538 1 15 . 1 1 36 36 VAL H H 41 10.164 10.164 8.604 1.560 17668 5539 1 15 . 1 1 37 37 THR N N 42 123.008 123.008 123.966 -0.958 17668 5540 1 15 . 1 1 37 37 THR HA H 42 4.392 4.392 4.641 -0.249 17668 5541 1 15 . 1 1 37 37 THR C C 42 175.030 175.030 174.575 0.455 17668 5542 1 15 . 1 1 37 37 THR CA C 42 60.760 60.760 60.941 -0.181 17668 5543 1 15 . 1 1 37 37 THR CB C 42 69.255 69.255 69.111 0.145 17668 5544 1 15 . 1 1 37 37 THR H H 42 8.453 8.453 8.792 -0.339 17668 5545 1 15 . 1 1 38 38 VAL N N 43 128.476 128.476 127.381 1.095 17668 5546 1 15 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.634 -0.332 17668 5547 1 15 . 1 1 38 38 VAL C C 43 176.067 176.067 178.061 -1.994 17668 5548 1 15 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.698 -2.430 17668 5549 1 15 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.627 0.600 17668 5550 1 15 . 1 1 38 38 VAL H H 43 8.789 8.789 8.727 0.062 17668 5551 1 15 . 1 1 39 39 ALA N N 44 119.180 119.180 120.441 -1.261 17668 5552 1 15 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.139 -0.155 17668 5553 1 15 . 1 1 39 39 ALA C C 44 179.167 179.167 178.048 1.119 17668 5554 1 15 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.332 0.893 17668 5555 1 15 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.831 0.164 17668 5556 1 15 . 1 1 39 39 ALA H H 44 8.509 8.509 8.424 0.085 17668 5557 1 15 . 1 1 40 40 THR N N 45 135.586 135.586 106.871 28.715 17668 5558 1 15 . 1 1 40 40 THR HA H 45 4.338 4.338 4.372 -0.034 17668 5559 1 15 . 1 1 40 40 THR C C 45 176.237 176.237 174.885 1.352 17668 5560 1 15 . 1 1 40 40 THR CA C 45 60.254 60.254 61.093 -0.839 17668 5561 1 15 . 1 1 40 40 THR CB C 45 70.261 70.261 70.467 -0.206 17668 5562 1 15 . 1 1 40 40 THR H H 45 6.713 6.713 7.480 -0.767 17668 5563 1 15 . 1 1 41 41 GLY N N 46 110.977 110.977 111.390 -0.413 17668 5564 1 15 . 1 1 41 41 GLY C C 46 172.096 172.096 173.204 -1.108 17668 5565 1 15 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.403 0.822 17668 5566 1 15 . 1 1 41 41 GLY H H 46 7.835 7.835 7.496 0.339 17668 5567 1 15 . 1 1 42 42 ARG N N 47 118.086 118.086 118.691 -0.605 17668 5568 1 15 . 1 1 42 42 ARG C C 47 175.032 175.032 174.049 0.983 17668 5569 1 15 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.240 2.010 17668 5570 1 15 . 1 1 42 42 ARG CB C 47 31.739 31.739 35.141 -3.402 17668 5571 1 15 . 1 1 42 42 ARG H H 47 7.303 7.303 8.415 -1.112 17668 5572 1 15 . 1 1 43 43 LEU N N 48 129.023 129.023 119.757 9.266 17668 5573 1 15 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.144 -0.125 17668 5574 1 15 . 1 1 43 43 LEU C C 48 175.033 175.033 174.560 0.473 17668 5575 1 15 . 1 1 43 43 LEU CA C 48 53.250 53.250 54.035 -0.785 17668 5576 1 15 . 1 1 43 43 LEU CB C 48 45.081 45.081 47.249 -2.168 17668 5577 1 15 . 1 1 43 43 LEU H H 48 8.986 8.986 8.985 0.001 17668 5578 1 15 . 1 1 44 44 THR N N 49 123.008 123.008 119.146 3.862 17668 5579 1 15 . 1 1 44 44 THR HA H 49 4.964 4.964 5.418 -0.454 17668 5580 1 15 . 1 1 44 44 THR C C 49 173.475 173.475 172.690 0.785 17668 5581 1 15 . 1 1 44 44 THR CA C 49 61.752 61.752 61.488 0.264 17668 5582 1 15 . 1 1 44 44 THR CB C 49 69.756 69.756 70.972 -1.216 17668 5583 1 15 . 1 1 44 44 THR H H 49 9.154 9.154 8.735 0.419 17668 5584 1 15 . 1 1 45 45 VAL N N 50 125.195 125.195 125.526 -0.331 17668 5585 1 15 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.793 0.389 17668 5586 1 15 . 1 1 45 45 VAL C C 50 172.614 172.614 173.411 -0.797 17668 5587 1 15 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.207 -1.445 17668 5588 1 15 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.588 -0.136 17668 5589 1 15 . 1 1 45 45 VAL H H 50 9.071 9.071 9.196 -0.125 17668 5590 1 15 . 1 1 46 46 THR N N 51 124.648 124.648 124.097 0.551 17668 5591 1 15 . 1 1 46 46 THR HA H 51 5.782 5.782 5.088 0.694 17668 5592 1 15 . 1 1 46 46 THR C C 51 174.684 174.684 173.510 1.174 17668 5593 1 15 . 1 1 46 46 THR CA C 51 61.248 61.248 61.341 -0.093 17668 5594 1 15 . 1 1 46 46 THR CB C 51 70.265 70.265 70.054 0.211 17668 5595 1 15 . 1 1 46 46 THR H H 51 8.930 8.930 8.909 0.021 17668 5596 1 15 . 1 1 47 47 TYR N N 52 124.648 124.648 122.065 2.583 17668 5597 1 15 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.005 0.286 17668 5598 1 15 . 1 1 47 47 TYR C C 52 171.408 171.408 173.078 -1.670 17668 5599 1 15 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.340 -0.095 17668 5600 1 15 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.125 0.629 17668 5601 1 15 . 1 1 47 47 TYR H H 52 9.603 9.603 8.353 1.250 17668 5602 1 15 . 1 1 48 48 ASP N N 53 119.180 119.180 121.360 -2.180 17668 5603 1 15 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.310 -0.345 17668 5604 1 15 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.425 -0.416 17668 5605 1 15 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.957 -1.399 17668 5606 1 15 . 1 1 48 48 ASP H H 53 8.481 8.481 8.365 0.116 17668 5607 1 15 . 1 1 49 49 PRO HA H 54 5.373 5.373 5.054 0.319 17668 5608 1 15 . 1 1 49 49 PRO C C 54 178.311 178.311 176.368 1.943 17668 5609 1 15 . 1 1 49 49 PRO CA C 54 63.263 63.263 64.012 -0.749 17668 5610 1 15 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.909 0.334 17668 5611 1 15 . 1 1 50 50 LYS N N 55 116.992 116.992 118.129 -1.137 17668 5612 1 15 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.420 -0.300 17668 5613 1 15 . 1 1 50 50 LYS C C 55 177.802 177.802 178.210 -0.408 17668 5614 1 15 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.754 0.972 17668 5615 1 15 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.172 -1.307 17668 5616 1 15 . 1 1 50 50 LYS H H 55 8.284 8.284 7.748 0.536 17668 5617 1 15 . 1 1 51 51 GLN N N 56 115.352 115.352 118.674 -3.322 17668 5618 1 15 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.243 0.068 17668 5619 1 15 . 1 1 51 51 GLN C C 56 175.031 175.031 176.564 -1.533 17668 5620 1 15 . 1 1 51 51 GLN CA C 56 56.756 56.756 57.725 -0.969 17668 5621 1 15 . 1 1 51 51 GLN CB C 56 33.752 33.752 29.790 3.962 17668 5622 1 15 . 1 1 51 51 GLN H H 56 7.864 7.864 8.662 -0.798 17668 5623 1 15 . 1 1 52 52 VAL N N 57 120.273 120.273 110.632 9.641 17668 5624 1 15 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.398 -0.005 17668 5625 1 15 . 1 1 52 52 VAL C C 57 170.718 170.718 173.608 -2.890 17668 5626 1 15 . 1 1 52 52 VAL CA C 57 59.772 59.772 60.355 -0.583 17668 5627 1 15 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.674 -0.446 17668 5628 1 15 . 1 1 52 52 VAL H H 57 8.172 8.172 7.900 0.272 17668 5629 1 15 . 1 1 53 53 SER N N 58 116.992 116.992 114.419 2.573 17668 5630 1 15 . 1 1 53 53 SER C C 58 175.377 175.377 174.949 0.428 17668 5631 1 15 . 1 1 53 53 SER CA C 58 55.251 55.251 55.748 -0.497 17668 5632 1 15 . 1 1 53 53 SER CB C 58 66.750 66.750 65.200 1.550 17668 5633 1 15 . 1 1 53 53 SER H H 58 7.611 7.611 8.245 -0.634 17668 5634 1 15 . 1 1 54 54 GLU N N 59 120.820 120.820 122.429 -1.609 17668 5635 1 15 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.763 -0.405 17668 5636 1 15 . 1 1 54 54 GLU C C 59 178.308 178.308 178.447 -0.139 17668 5637 1 15 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.731 1.012 17668 5638 1 15 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.224 1.016 17668 5639 1 15 . 1 1 54 54 GLU H H 59 8.930 8.930 8.742 0.188 17668 5640 1 15 . 1 1 55 55 ILE N N 60 118.086 118.086 119.592 -1.506 17668 5641 1 15 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.576 0.162 17668 5642 1 15 . 1 1 55 55 ILE C C 60 177.448 177.448 178.148 -0.700 17668 5643 1 15 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.813 -1.064 17668 5644 1 15 . 1 1 55 55 ILE CB C 60 37.515 37.515 37.351 0.164 17668 5645 1 15 . 1 1 55 55 ILE H H 60 7.583 7.583 7.973 -0.390 17668 5646 1 15 . 1 1 56 56 THR N N 61 119.727 119.727 113.872 5.855 17668 5647 1 15 . 1 1 56 56 THR HA H 61 3.766 3.766 3.982 -0.216 17668 5648 1 15 . 1 1 56 56 THR C C 61 177.104 177.104 175.328 1.776 17668 5649 1 15 . 1 1 56 56 THR CA C 61 66.264 66.264 66.170 0.094 17668 5650 1 15 . 1 1 56 56 THR CB C 61 68.245 68.245 68.798 -0.553 17668 5651 1 15 . 1 1 56 56 THR H H 61 7.471 7.471 7.905 -0.434 17668 5652 1 15 . 1 1 57 57 ILE N N 62 121.367 121.367 119.896 1.471 17668 5653 1 15 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.079 -1.048 17668 5654 1 15 . 1 1 57 57 ILE C C 62 176.756 176.756 176.513 0.243 17668 5655 1 15 . 1 1 57 57 ILE CA C 62 65.760 65.760 61.952 3.808 17668 5656 1 15 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.752 -0.501 17668 5657 1 15 . 1 1 57 57 ILE H H 62 7.259 7.259 7.315 -0.056 17668 5658 1 15 . 1 1 58 58 GLN N N 63 117.539 117.539 122.006 -4.467 17668 5659 1 15 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.813 -0.211 17668 5660 1 15 . 1 1 58 58 GLN C C 63 179.172 179.172 177.836 1.336 17668 5661 1 15 . 1 1 58 58 GLN CA C 63 59.755 59.755 60.000 -0.245 17668 5662 1 15 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.828 -1.094 17668 5663 1 15 . 1 1 58 58 GLN H H 63 7.976 7.976 8.764 -0.788 17668 5664 1 15 . 1 1 59 59 GLU N N 64 119.180 119.180 117.237 1.943 17668 5665 1 15 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.119 -0.245 17668 5666 1 15 . 1 1 59 59 GLU C C 64 179.866 179.866 177.731 2.135 17668 5667 1 15 . 1 1 59 59 GLU CA C 64 59.259 59.259 58.423 0.836 17668 5668 1 15 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.160 0.540 17668 5669 1 15 . 1 1 59 59 GLU H H 64 8.622 8.622 8.213 0.409 17668 5670 1 15 . 1 1 60 60 ARG N N 65 119.727 119.727 119.513 0.214 17668 5671 1 15 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.315 -0.222 17668 5672 1 15 . 1 1 60 60 ARG C C 65 178.310 178.310 178.129 0.181 17668 5673 1 15 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.193 -0.937 17668 5674 1 15 . 1 1 60 60 ARG CB C 65 28.748 28.748 31.425 -2.677 17668 5675 1 15 . 1 1 60 60 ARG H H 65 7.891 7.891 7.459 0.432 17668 5676 1 15 . 1 1 61 61 ILE N N 66 118.086 118.086 120.614 -2.528 17668 5677 1 15 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.673 -0.126 17668 5678 1 15 . 1 1 61 61 ILE C C 66 178.311 178.311 177.534 0.777 17668 5679 1 15 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.957 -1.212 17668 5680 1 15 . 1 1 61 61 ILE CB C 66 37.681 37.681 38.048 -0.367 17668 5681 1 15 . 1 1 61 61 ILE H H 66 7.443 7.443 8.438 -0.995 17668 5682 1 15 . 1 1 62 62 ALA N N 67 121.914 121.914 121.382 0.532 17668 5683 1 15 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.401 0.128 17668 5684 1 15 . 1 1 62 62 ALA C C 67 182.626 182.626 180.102 2.524 17668 5685 1 15 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.626 -0.376 17668 5686 1 15 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.328 -0.594 17668 5687 1 15 . 1 1 62 62 ALA H H 67 8.116 8.116 8.408 -0.292 17668 5688 1 15 . 1 1 63 63 ALA N N 68 121.367 121.367 121.284 0.083 17668 5689 1 15 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.108 -0.096 17668 5690 1 15 . 1 1 63 63 ALA C C 68 179.690 179.690 178.994 0.696 17668 5691 1 15 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.279 -0.020 17668 5692 1 15 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.554 -0.333 17668 5693 1 15 . 1 1 63 63 ALA H H 68 7.948 7.948 8.078 -0.130 17668 5694 1 15 . 1 1 64 64 LEU N N 69 116.445 116.445 116.064 0.381 17668 5695 1 15 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.140 0.007 17668 5696 1 15 . 1 1 64 64 LEU C C 69 176.931 176.931 176.744 0.187 17668 5697 1 15 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.602 0.643 17668 5698 1 15 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.817 1.424 17668 5699 1 15 . 1 1 64 64 LEU H H 69 7.247 7.247 7.818 -0.571 17668 5700 1 15 . 1 1 65 65 GLY N N 70 103.867 103.867 105.031 -1.164 17668 5701 1 15 . 1 1 65 65 GLY C C 70 173.651 173.651 174.431 -0.780 17668 5702 1 15 . 1 1 65 65 GLY CA C 70 44.472 44.472 45.075 -0.603 17668 5703 1 15 . 1 1 65 65 GLY H H 70 7.668 7.668 7.508 0.160 17668 5704 1 15 . 1 1 66 66 TYR N N 71 119.180 119.180 118.872 0.308 17668 5705 1 15 . 1 1 66 66 TYR C C 71 174.513 174.513 175.614 -1.101 17668 5706 1 15 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.729 0.291 17668 5707 1 15 . 1 1 66 66 TYR CB C 71 39.502 39.502 39.513 -0.011 17668 5708 1 15 . 1 1 66 66 TYR H H 71 6.798 6.798 7.360 -0.562 17668 5709 1 15 . 1 1 67 67 THR N N 72 109.883 109.883 112.050 -2.167 17668 5710 1 15 . 1 1 67 67 THR C C 72 173.998 173.998 173.660 0.338 17668 5711 1 15 . 1 1 67 67 THR CA C 72 60.249 60.249 61.012 -0.763 17668 5712 1 15 . 1 1 67 67 THR CB C 72 71.254 71.254 71.294 -0.040 17668 5713 1 15 . 1 1 67 67 THR H H 72 8.144 8.144 8.329 -0.185 17668 5714 1 15 . 1 1 68 68 LEU N N 73 122.461 122.461 117.129 5.332 17668 5715 1 15 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.238 -0.192 17668 5716 1 15 . 1 1 68 68 LEU C C 73 174.168 174.168 175.442 -1.274 17668 5717 1 15 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.208 0.044 17668 5718 1 15 . 1 1 68 68 LEU CB C 73 43.743 43.743 46.101 -2.358 17668 5719 1 15 . 1 1 68 68 LEU H H 73 8.397 8.397 8.356 0.041 17668 5720 1 15 . 1 1 69 69 ALA N N 74 125.195 125.195 122.887 2.308 17668 5721 1 15 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.647 -0.309 17668 5722 1 15 . 1 1 69 69 ALA C C 74 176.931 176.931 176.211 0.720 17668 5723 1 15 . 1 1 69 69 ALA CA C 74 55.254 55.254 52.253 3.001 17668 5724 1 15 . 1 1 69 69 ALA CB C 74 18.225 18.225 20.111 -1.886 17668 5725 1 15 . 1 1 69 69 ALA H H 74 8.200 8.200 8.800 -0.600 17668 5726 1 15 . 1 1 70 70 GLU N N 75 120.820 120.820 124.049 -3.229 17668 5727 1 15 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.662 -0.188 17668 5728 1 15 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.727 1.731 17668 5729 1 15 . 1 1 70 70 GLU CB C 75 29.591 29.591 29.731 -0.140 17668 5730 1 15 . 1 1 70 70 GLU H H 75 8.397 8.397 8.509 -0.112 17668 5731 1 16 . 1 1 2 2 LEU N N 7 119.727 119.727 117.456 2.271 17668 5732 1 16 . 1 1 2 2 LEU HA H 7 4.338 4.338 5.047 -0.709 17668 5733 1 16 . 1 1 2 2 LEU C C 7 176.410 176.410 176.294 0.116 17668 5734 1 16 . 1 1 2 2 LEU CA C 7 54.010 54.010 53.976 0.034 17668 5735 1 16 . 1 1 2 2 LEU CB C 7 43.226 43.226 43.338 -0.112 17668 5736 1 16 . 1 1 2 2 LEU H H 7 7.919 7.919 8.411 -0.492 17668 5737 1 16 . 1 1 3 3 LYS N N 8 123.008 123.008 119.558 3.450 17668 5738 1 16 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.534 -0.169 17668 5739 1 16 . 1 1 3 3 LYS C C 8 174.512 174.512 174.731 -0.219 17668 5740 1 16 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.931 -0.190 17668 5741 1 16 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.273 0.450 17668 5742 1 16 . 1 1 3 3 LYS H H 8 8.650 8.650 8.710 -0.060 17668 5743 1 16 . 1 1 4 4 THR N N 9 120.273 120.273 116.455 3.818 17668 5744 1 16 . 1 1 4 4 THR HA H 9 5.372 5.372 4.504 0.868 17668 5745 1 16 . 1 1 4 4 THR C C 9 174.170 174.170 174.363 -0.193 17668 5746 1 16 . 1 1 4 4 THR CA C 9 61.756 61.756 62.821 -1.065 17668 5747 1 16 . 1 1 4 4 THR CB C 9 70.757 70.757 69.507 1.250 17668 5748 1 16 . 1 1 4 4 THR H H 9 8.481 8.481 8.346 0.135 17668 5749 1 16 . 1 1 5 5 GLN N N 10 126.836 126.836 122.488 4.348 17668 5750 1 16 . 1 1 5 5 GLN C C 10 173.651 173.651 173.465 0.186 17668 5751 1 16 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.593 -1.357 17668 5752 1 16 . 1 1 5 5 GLN CB C 10 34.484 34.484 31.929 2.555 17668 5753 1 16 . 1 1 5 5 GLN H H 10 9.295 9.295 8.315 0.980 17668 5754 1 16 . 1 1 6 6 GLN N N 11 121.367 121.367 123.358 -1.991 17668 5755 1 16 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.423 0.223 17668 5756 1 16 . 1 1 6 6 GLN C C 11 176.069 176.069 175.130 0.939 17668 5757 1 16 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.237 -0.477 17668 5758 1 16 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.997 -0.760 17668 5759 1 16 . 1 1 6 6 GLN H H 11 8.425 8.425 8.519 -0.094 17668 5760 1 16 . 1 1 7 7 MET N N 12 120.273 120.273 115.752 4.521 17668 5761 1 16 . 1 1 7 7 MET C C 12 173.824 173.824 173.907 -0.083 17668 5762 1 16 . 1 1 7 7 MET CA C 12 54.598 54.598 54.931 -0.333 17668 5763 1 16 . 1 1 7 7 MET CB C 12 37.258 37.258 36.650 0.608 17668 5764 1 16 . 1 1 7 7 MET H H 12 9.294 9.294 8.931 0.363 17668 5765 1 16 . 1 1 8 8 GLN N N 13 122.461 122.461 118.896 3.565 17668 5766 1 16 . 1 1 8 8 GLN C C 13 174.863 174.863 174.580 0.283 17668 5767 1 16 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.387 -0.634 17668 5768 1 16 . 1 1 8 8 GLN CB C 13 30.243 30.243 31.435 -1.192 17668 5769 1 16 . 1 1 8 8 GLN H H 13 8.790 8.790 8.311 0.479 17668 5770 1 16 . 1 1 9 9 VAL N N 14 126.289 126.289 119.350 6.939 17668 5771 1 16 . 1 1 9 9 VAL C C 14 176.586 176.586 176.019 0.567 17668 5772 1 16 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.767 0.488 17668 5773 1 16 . 1 1 9 9 VAL CB C 14 33.467 33.467 36.244 -2.777 17668 5774 1 16 . 1 1 9 9 VAL H H 14 8.930 8.930 8.605 0.325 17668 5775 1 16 . 1 1 10 10 GLY N N 15 117.539 117.539 110.636 6.903 17668 5776 1 16 . 1 1 10 10 GLY C C 15 173.997 173.997 174.832 -0.835 17668 5777 1 16 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.964 -0.719 17668 5778 1 16 . 1 1 10 10 GLY H H 15 9.351 9.351 8.333 1.018 17668 5779 1 16 . 1 1 11 11 GLY N N 16 107.149 107.149 107.530 -0.381 17668 5780 1 16 . 1 1 11 11 GLY C C 16 176.067 176.067 174.934 1.133 17668 5781 1 16 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.058 0.198 17668 5782 1 16 . 1 1 11 11 GLY H H 16 8.284 8.284 8.740 -0.456 17668 5783 1 16 . 1 1 12 12 MET N N 17 118.633 118.633 119.755 -1.122 17668 5784 1 16 . 1 1 12 12 MET C C 17 177.102 177.102 176.303 0.799 17668 5785 1 16 . 1 1 12 12 MET CA C 17 57.740 57.740 57.619 0.121 17668 5786 1 16 . 1 1 12 12 MET CB C 17 34.243 34.243 32.495 1.748 17668 5787 1 16 . 1 1 12 12 MET H H 17 8.509 8.509 7.702 0.807 17668 5788 1 16 . 1 1 13 13 ARG N N 18 126.836 126.836 117.431 9.405 17668 5789 1 16 . 1 1 13 13 ARG C C 18 175.032 175.032 176.157 -1.125 17668 5790 1 16 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.271 0.968 17668 5791 1 16 . 1 1 13 13 ARG CB C 18 32.744 32.744 30.540 2.204 17668 5792 1 16 . 1 1 13 13 ARG H H 18 10.782 10.782 7.998 2.784 17668 5793 1 16 . 1 1 14 14 CYS N N 19 114.805 114.805 115.682 -0.877 17668 5794 1 16 . 1 1 14 14 CYS CA C 19 56.217 56.217 60.141 -3.924 17668 5795 1 16 . 1 1 14 14 CYS CB C 19 30.413 30.413 25.478 4.935 17668 5796 1 16 . 1 1 14 14 CYS H H 19 8.425 8.425 8.543 -0.118 17668 5797 1 16 . 1 1 15 15 ALA CA C 20 51.257 51.257 51.958 -0.701 17668 5798 1 16 . 1 1 15 15 ALA CB C 20 19.247 19.247 20.047 -0.800 17668 5799 1 16 . 1 1 16 16 ALA N N 21 118.906 118.906 121.435 -2.529 17668 5800 1 16 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.462 -0.315 17668 5801 1 16 . 1 1 16 16 ALA C C 21 180.553 180.553 178.797 1.756 17668 5802 1 16 . 1 1 16 16 ALA CA C 21 54.756 54.756 52.747 2.009 17668 5803 1 16 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.717 -0.484 17668 5804 1 16 . 1 1 17 17 CYS N N 22 121.914 121.914 118.463 3.451 17668 5805 1 16 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.202 -0.381 17668 5806 1 16 . 1 1 17 17 CYS C C 22 177.966 177.966 175.911 2.055 17668 5807 1 16 . 1 1 17 17 CYS CA C 22 64.748 64.748 61.776 2.972 17668 5808 1 16 . 1 1 17 17 CYS CB C 22 29.245 29.245 26.953 2.292 17668 5809 1 16 . 1 1 17 17 CYS H H 22 7.640 7.640 8.396 -0.756 17668 5810 1 16 . 1 1 18 18 ALA N N 23 119.180 119.180 122.485 -3.305 17668 5811 1 16 . 1 1 18 18 ALA HA H 23 3.603 3.603 4.029 -0.426 17668 5812 1 16 . 1 1 18 18 ALA C C 23 179.173 179.173 178.844 0.329 17668 5813 1 16 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.639 0.619 17668 5814 1 16 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.069 0.672 17668 5815 1 16 . 1 1 18 18 ALA H H 23 6.629 6.629 8.408 -1.779 17668 5816 1 16 . 1 1 19 19 SER N N 24 112.618 112.618 114.787 -2.169 17668 5817 1 16 . 1 1 19 19 SER HA H 24 4.147 4.147 4.204 -0.057 17668 5818 1 16 . 1 1 19 19 SER C C 24 176.764 176.764 176.630 0.134 17668 5819 1 16 . 1 1 19 19 SER CA C 24 61.259 61.259 61.236 0.023 17668 5820 1 16 . 1 1 19 19 SER CB C 24 62.754 62.754 63.434 -0.680 17668 5821 1 16 . 1 1 19 19 SER H H 24 7.752 7.752 8.276 -0.524 17668 5822 1 16 . 1 1 20 20 SER N N 25 116.992 116.992 119.695 -2.703 17668 5823 1 16 . 1 1 20 20 SER HA H 25 3.521 3.521 4.132 -0.611 17668 5824 1 16 . 1 1 20 20 SER C C 25 177.448 177.448 176.744 0.704 17668 5825 1 16 . 1 1 20 20 SER CA C 25 61.870 61.870 61.703 0.167 17668 5826 1 16 . 1 1 20 20 SER CB C 25 62.751 62.751 63.217 -0.466 17668 5827 1 16 . 1 1 20 20 SER H H 25 7.989 7.989 7.479 0.510 17668 5828 1 16 . 1 1 21 21 ILE N N 26 122.461 122.461 121.626 0.835 17668 5829 1 16 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.744 -0.414 17668 5830 1 16 . 1 1 21 21 ILE C C 26 176.930 176.930 177.153 -0.223 17668 5831 1 16 . 1 1 21 21 ILE CA C 26 66.255 66.255 65.186 1.069 17668 5832 1 16 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.039 0.198 17668 5833 1 16 . 1 1 21 21 ILE H H 26 7.583 7.583 8.388 -0.805 17668 5834 1 16 . 1 1 22 22 GLU N N 27 116.992 116.992 119.052 -2.060 17668 5835 1 16 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.975 -0.509 17668 5836 1 16 . 1 1 22 22 GLU C C 27 178.916 178.916 179.110 -0.194 17668 5837 1 16 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.071 1.682 17668 5838 1 16 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.551 0.156 17668 5839 1 16 . 1 1 22 22 GLU H H 27 8.004 8.004 7.665 0.339 17668 5840 1 16 . 1 1 23 23 ARG N N 28 114.805 114.805 118.493 -3.688 17668 5841 1 16 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.130 -0.174 17668 5842 1 16 . 1 1 23 23 ARG C C 28 179.517 179.517 177.329 2.188 17668 5843 1 16 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.742 0.010 17668 5844 1 16 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.481 0.265 17668 5845 1 16 . 1 1 23 23 ARG H H 28 8.256 8.256 8.294 -0.038 17668 5846 1 16 . 1 1 24 24 ALA N N 29 118.633 118.633 120.620 -1.987 17668 5847 1 16 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.389 -0.432 17668 5848 1 16 . 1 1 24 24 ALA C C 29 181.073 181.073 180.017 1.056 17668 5849 1 16 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.755 0.994 17668 5850 1 16 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.721 0.007 17668 5851 1 16 . 1 1 24 24 ALA H H 29 7.555 7.555 7.451 0.104 17668 5852 1 16 . 1 1 25 25 LEU N N 30 115.899 115.899 120.764 -4.865 17668 5853 1 16 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.014 -0.030 17668 5854 1 16 . 1 1 25 25 LEU C C 30 178.658 178.658 177.403 1.255 17668 5855 1 16 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.629 -0.408 17668 5856 1 16 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.945 -0.697 17668 5857 1 16 . 1 1 25 25 LEU H H 30 7.976 7.976 8.236 -0.260 17668 5858 1 16 . 1 1 26 26 GLU N N 31 115.899 115.899 113.503 2.396 17668 5859 1 16 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.155 -0.417 17668 5860 1 16 . 1 1 26 26 GLU C C 31 177.793 177.793 177.670 0.123 17668 5861 1 16 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.752 0.975 17668 5862 1 16 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.300 -0.059 17668 5863 1 16 . 1 1 26 26 GLU H H 31 8.116 8.116 8.176 -0.060 17668 5864 1 16 . 1 1 27 27 ARG N N 32 114.258 114.258 118.637 -4.379 17668 5865 1 16 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.312 -0.165 17668 5866 1 16 . 1 1 27 27 ARG C C 32 176.757 176.757 177.996 -1.239 17668 5867 1 16 . 1 1 27 27 ARG CA C 32 56.250 56.250 56.936 -0.686 17668 5868 1 16 . 1 1 27 27 ARG CB C 32 30.744 30.744 30.585 0.159 17668 5869 1 16 . 1 1 27 27 ARG H H 32 6.854 6.854 7.995 -1.141 17668 5870 1 16 . 1 1 28 28 LEU N N 33 123.008 123.008 118.646 4.362 17668 5871 1 16 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.176 0.026 17668 5872 1 16 . 1 1 28 28 LEU C C 33 176.412 176.412 176.547 -0.135 17668 5873 1 16 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.255 -1.006 17668 5874 1 16 . 1 1 28 28 LEU CB C 33 41.739 41.739 41.209 0.530 17668 5875 1 16 . 1 1 28 28 LEU H H 33 7.501 7.501 7.644 -0.143 17668 5876 1 16 . 1 1 29 29 LYS N N 34 127.383 127.383 114.837 12.546 17668 5877 1 16 . 1 1 29 29 LYS HA H 34 3.874 3.874 3.960 -0.086 17668 5878 1 16 . 1 1 29 29 LYS C C 34 176.412 176.412 176.908 -0.496 17668 5879 1 16 . 1 1 29 29 LYS CA C 34 58.242 58.242 57.433 0.809 17668 5880 1 16 . 1 1 29 29 LYS CB C 34 31.746 31.746 30.891 0.855 17668 5881 1 16 . 1 1 29 29 LYS H H 34 8.341 8.341 8.003 0.338 17668 5882 1 16 . 1 1 30 30 GLY N N 35 111.524 111.524 104.867 6.657 17668 5883 1 16 . 1 1 30 30 GLY C C 35 175.715 175.715 172.838 2.877 17668 5884 1 16 . 1 1 30 30 GLY CA C 35 45.488 45.488 44.919 0.569 17668 5885 1 16 . 1 1 30 30 GLY H H 35 8.509 8.509 8.432 0.077 17668 5886 1 16 . 1 1 31 31 VAL N N 36 122.461 122.461 120.466 1.995 17668 5887 1 16 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.578 -0.704 17668 5888 1 16 . 1 1 31 31 VAL C C 36 175.032 175.032 174.989 0.043 17668 5889 1 16 . 1 1 31 31 VAL CA C 36 63.757 63.757 61.224 2.534 17668 5890 1 16 . 1 1 31 31 VAL CB C 36 31.250 31.250 32.711 -1.461 17668 5891 1 16 . 1 1 31 31 VAL H H 36 7.892 7.892 7.636 0.256 17668 5892 1 16 . 1 1 32 32 ALA N N 37 131.758 131.758 130.970 0.788 17668 5893 1 16 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.515 -0.150 17668 5894 1 16 . 1 1 32 32 ALA C C 37 177.619 177.619 177.221 0.398 17668 5895 1 16 . 1 1 32 32 ALA CA C 37 53.246 53.246 53.057 0.189 17668 5896 1 16 . 1 1 32 32 ALA CB C 37 20.722 20.722 19.787 0.935 17668 5897 1 16 . 1 1 32 32 ALA H H 37 9.042 9.042 8.904 0.138 17668 5898 1 16 . 1 1 33 33 GLU N N 38 114.258 114.258 115.219 -0.961 17668 5899 1 16 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.522 -0.021 17668 5900 1 16 . 1 1 33 33 GLU C C 38 173.651 173.651 173.974 -0.323 17668 5901 1 16 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.436 -0.859 17668 5902 1 16 . 1 1 33 33 GLU CB C 38 33.666 33.666 33.612 0.054 17668 5903 1 16 . 1 1 33 33 GLU H H 38 7.555 7.555 7.693 -0.138 17668 5904 1 16 . 1 1 34 34 ALA N N 39 125.742 125.742 125.015 0.727 17668 5905 1 16 . 1 1 34 34 ALA HA H 39 5.101 5.101 4.954 0.147 17668 5906 1 16 . 1 1 34 34 ALA C C 39 175.033 175.033 175.580 -0.547 17668 5907 1 16 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.980 -0.700 17668 5908 1 16 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.081 1.156 17668 5909 1 16 . 1 1 34 34 ALA H H 39 9.014 9.014 8.485 0.529 17668 5910 1 16 . 1 1 35 35 SER N N 40 113.711 113.711 115.549 -1.838 17668 5911 1 16 . 1 1 35 35 SER HA H 40 4.855 4.855 4.875 -0.020 17668 5912 1 16 . 1 1 35 35 SER C C 40 173.824 173.824 173.397 0.427 17668 5913 1 16 . 1 1 35 35 SER CA C 40 56.254 56.254 58.338 -2.084 17668 5914 1 16 . 1 1 35 35 SER CB C 40 65.255 65.255 66.001 -0.746 17668 5915 1 16 . 1 1 35 35 SER H H 40 8.481 8.481 8.920 -0.439 17668 5916 1 16 . 1 1 36 36 VAL N N 41 129.570 129.570 127.627 1.943 17668 5917 1 16 . 1 1 36 36 VAL C C 41 175.204 175.204 176.213 -1.009 17668 5918 1 16 . 1 1 36 36 VAL CA C 41 60.265 60.265 62.465 -2.200 17668 5919 1 16 . 1 1 36 36 VAL CB C 41 33.743 33.743 31.838 1.905 17668 5920 1 16 . 1 1 36 36 VAL H H 41 10.164 10.164 9.640 0.524 17668 5921 1 16 . 1 1 37 37 THR N N 42 123.008 123.008 125.719 -2.711 17668 5922 1 16 . 1 1 37 37 THR HA H 42 4.392 4.392 4.363 0.029 17668 5923 1 16 . 1 1 37 37 THR C C 42 175.030 175.030 175.127 -0.097 17668 5924 1 16 . 1 1 37 37 THR CA C 42 60.760 60.760 62.478 -1.718 17668 5925 1 16 . 1 1 37 37 THR CB C 42 69.255 69.255 68.667 0.588 17668 5926 1 16 . 1 1 37 37 THR H H 42 8.453 8.453 8.513 -0.060 17668 5927 1 16 . 1 1 38 38 VAL N N 43 128.476 128.476 127.805 0.671 17668 5928 1 16 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.605 -0.303 17668 5929 1 16 . 1 1 38 38 VAL C C 43 176.067 176.067 177.076 -1.009 17668 5930 1 16 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.829 -2.561 17668 5931 1 16 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.732 0.495 17668 5932 1 16 . 1 1 38 38 VAL H H 43 8.789 8.789 8.561 0.228 17668 5933 1 16 . 1 1 39 39 ALA N N 44 119.180 119.180 121.489 -2.309 17668 5934 1 16 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.214 -0.230 17668 5935 1 16 . 1 1 39 39 ALA C C 44 179.167 179.167 179.414 -0.247 17668 5936 1 16 . 1 1 39 39 ALA CA C 44 55.225 55.225 55.141 0.084 17668 5937 1 16 . 1 1 39 39 ALA CB C 44 18.995 18.995 17.719 1.276 17668 5938 1 16 . 1 1 39 39 ALA H H 44 8.509 8.509 8.042 0.467 17668 5939 1 16 . 1 1 40 40 THR N N 45 135.586 135.586 107.826 27.760 17668 5940 1 16 . 1 1 40 40 THR HA H 45 4.338 4.338 4.211 0.127 17668 5941 1 16 . 1 1 40 40 THR C C 45 176.237 176.237 175.850 0.387 17668 5942 1 16 . 1 1 40 40 THR CA C 45 60.254 60.254 62.604 -2.350 17668 5943 1 16 . 1 1 40 40 THR CB C 45 70.261 70.261 69.219 1.042 17668 5944 1 16 . 1 1 40 40 THR H H 45 6.713 6.713 7.776 -1.063 17668 5945 1 16 . 1 1 41 41 GLY N N 46 110.977 110.977 112.525 -1.548 17668 5946 1 16 . 1 1 41 41 GLY C C 46 172.096 172.096 173.005 -0.909 17668 5947 1 16 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.372 0.853 17668 5948 1 16 . 1 1 41 41 GLY H H 46 7.835 7.835 8.078 -0.243 17668 5949 1 16 . 1 1 42 42 ARG N N 47 118.086 118.086 118.977 -0.891 17668 5950 1 16 . 1 1 42 42 ARG C C 47 175.032 175.032 173.946 1.086 17668 5951 1 16 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.271 1.979 17668 5952 1 16 . 1 1 42 42 ARG CB C 47 31.739 31.739 34.475 -2.736 17668 5953 1 16 . 1 1 42 42 ARG H H 47 7.303 7.303 7.968 -0.665 17668 5954 1 16 . 1 1 43 43 LEU N N 48 129.023 129.023 119.276 9.747 17668 5955 1 16 . 1 1 43 43 LEU HA H 48 5.019 5.019 4.968 0.051 17668 5956 1 16 . 1 1 43 43 LEU C C 48 175.033 175.033 174.527 0.506 17668 5957 1 16 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.941 -0.691 17668 5958 1 16 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.868 -1.787 17668 5959 1 16 . 1 1 43 43 LEU H H 48 8.986 8.986 8.229 0.757 17668 5960 1 16 . 1 1 44 44 THR N N 49 123.008 123.008 119.731 3.277 17668 5961 1 16 . 1 1 44 44 THR HA H 49 4.964 4.964 5.389 -0.425 17668 5962 1 16 . 1 1 44 44 THR C C 49 173.475 173.475 172.738 0.737 17668 5963 1 16 . 1 1 44 44 THR CA C 49 61.752 61.752 61.521 0.231 17668 5964 1 16 . 1 1 44 44 THR CB C 49 69.756 69.756 71.010 -1.254 17668 5965 1 16 . 1 1 44 44 THR H H 49 9.154 9.154 8.774 0.380 17668 5966 1 16 . 1 1 45 45 VAL N N 50 125.195 125.195 125.588 -0.393 17668 5967 1 16 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.711 0.471 17668 5968 1 16 . 1 1 45 45 VAL C C 50 172.614 172.614 173.223 -0.609 17668 5969 1 16 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.215 -1.453 17668 5970 1 16 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.650 -0.198 17668 5971 1 16 . 1 1 45 45 VAL H H 50 9.071 9.071 9.255 -0.184 17668 5972 1 16 . 1 1 46 46 THR N N 51 124.648 124.648 123.913 0.735 17668 5973 1 16 . 1 1 46 46 THR HA H 51 5.782 5.782 5.201 0.581 17668 5974 1 16 . 1 1 46 46 THR C C 51 174.684 174.684 173.668 1.016 17668 5975 1 16 . 1 1 46 46 THR CA C 51 61.248 61.248 61.044 0.204 17668 5976 1 16 . 1 1 46 46 THR CB C 51 70.265 70.265 69.466 0.799 17668 5977 1 16 . 1 1 46 46 THR H H 51 8.930 8.930 8.868 0.062 17668 5978 1 16 . 1 1 47 47 TYR N N 52 124.648 124.648 122.718 1.930 17668 5979 1 16 . 1 1 47 47 TYR HA H 52 5.291 5.291 4.937 0.354 17668 5980 1 16 . 1 1 47 47 TYR C C 52 171.408 171.408 172.755 -1.347 17668 5981 1 16 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.979 -0.734 17668 5982 1 16 . 1 1 47 47 TYR CB C 52 41.754 41.754 40.651 1.103 17668 5983 1 16 . 1 1 47 47 TYR H H 52 9.603 9.603 8.442 1.161 17668 5984 1 16 . 1 1 48 48 ASP N N 53 119.180 119.180 121.084 -1.904 17668 5985 1 16 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.456 -0.491 17668 5986 1 16 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.264 -0.255 17668 5987 1 16 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.199 -1.641 17668 5988 1 16 . 1 1 48 48 ASP H H 53 8.481 8.481 8.895 -0.414 17668 5989 1 16 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.809 0.565 17668 5990 1 16 . 1 1 49 49 PRO C C 54 178.311 178.311 176.581 1.730 17668 5991 1 16 . 1 1 49 49 PRO CA C 54 63.263 63.263 64.037 -0.774 17668 5992 1 16 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.858 0.386 17668 5993 1 16 . 1 1 50 50 LYS N N 55 116.992 116.992 116.935 0.057 17668 5994 1 16 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.480 -0.360 17668 5995 1 16 . 1 1 50 50 LYS C C 55 177.802 177.802 178.131 -0.329 17668 5996 1 16 . 1 1 50 50 LYS CA C 55 57.726 57.726 57.142 0.584 17668 5997 1 16 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.261 -1.396 17668 5998 1 16 . 1 1 50 50 LYS H H 55 8.284 8.284 7.960 0.324 17668 5999 1 16 . 1 1 51 51 GLN N N 56 115.352 115.352 119.082 -3.730 17668 6000 1 16 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.107 0.204 17668 6001 1 16 . 1 1 51 51 GLN C C 56 175.031 175.031 176.949 -1.918 17668 6002 1 16 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.280 -1.524 17668 6003 1 16 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.015 3.737 17668 6004 1 16 . 1 1 51 51 GLN H H 56 7.864 7.864 8.427 -0.563 17668 6005 1 16 . 1 1 52 52 VAL N N 57 120.273 120.273 110.157 10.116 17668 6006 1 16 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.554 -0.161 17668 6007 1 16 . 1 1 52 52 VAL C C 57 170.718 170.718 173.615 -2.897 17668 6008 1 16 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.617 0.155 17668 6009 1 16 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.504 -0.276 17668 6010 1 16 . 1 1 52 52 VAL H H 57 8.172 8.172 7.919 0.253 17668 6011 1 16 . 1 1 53 53 SER N N 58 116.992 116.992 113.708 3.284 17668 6012 1 16 . 1 1 53 53 SER C C 58 175.377 175.377 175.348 0.029 17668 6013 1 16 . 1 1 53 53 SER CA C 58 55.251 55.251 57.568 -2.317 17668 6014 1 16 . 1 1 53 53 SER CB C 58 66.750 66.750 66.326 0.423 17668 6015 1 16 . 1 1 53 53 SER H H 58 7.611 7.611 8.225 -0.614 17668 6016 1 16 . 1 1 54 54 GLU N N 59 120.820 120.820 121.031 -0.211 17668 6017 1 16 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.808 -0.450 17668 6018 1 16 . 1 1 54 54 GLU C C 59 178.308 178.308 178.101 0.207 17668 6019 1 16 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.877 0.866 17668 6020 1 16 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.821 0.419 17668 6021 1 16 . 1 1 54 54 GLU H H 59 8.930 8.930 8.872 0.058 17668 6022 1 16 . 1 1 55 55 ILE N N 60 118.086 118.086 120.604 -2.518 17668 6023 1 16 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.689 0.049 17668 6024 1 16 . 1 1 55 55 ILE C C 60 177.448 177.448 178.266 -0.818 17668 6025 1 16 . 1 1 55 55 ILE CA C 60 63.749 63.749 63.883 -0.134 17668 6026 1 16 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.681 0.834 17668 6027 1 16 . 1 1 55 55 ILE H H 60 7.583 7.583 7.549 0.034 17668 6028 1 16 . 1 1 56 56 THR N N 61 119.727 119.727 115.052 4.675 17668 6029 1 16 . 1 1 56 56 THR HA H 61 3.766 3.766 3.974 -0.208 17668 6030 1 16 . 1 1 56 56 THR C C 61 177.104 177.104 176.687 0.417 17668 6031 1 16 . 1 1 56 56 THR CA C 61 66.264 66.264 67.514 -1.250 17668 6032 1 16 . 1 1 56 56 THR CB C 61 68.245 68.245 68.428 -0.183 17668 6033 1 16 . 1 1 56 56 THR H H 61 7.471 7.471 7.804 -0.333 17668 6034 1 16 . 1 1 57 57 ILE N N 62 121.367 121.367 120.904 0.463 17668 6035 1 16 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.914 -0.883 17668 6036 1 16 . 1 1 57 57 ILE C C 62 176.756 176.756 176.415 0.341 17668 6037 1 16 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.347 3.413 17668 6038 1 16 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.663 0.588 17668 6039 1 16 . 1 1 57 57 ILE H H 62 7.259 7.259 7.312 -0.053 17668 6040 1 16 . 1 1 58 58 GLN N N 63 117.539 117.539 121.558 -4.019 17668 6041 1 16 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.782 -0.180 17668 6042 1 16 . 1 1 58 58 GLN C C 63 179.172 179.172 178.152 1.020 17668 6043 1 16 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.919 -0.164 17668 6044 1 16 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.648 -0.915 17668 6045 1 16 . 1 1 58 58 GLN H H 63 7.976 7.976 8.652 -0.676 17668 6046 1 16 . 1 1 59 59 GLU N N 64 119.180 119.180 118.692 0.488 17668 6047 1 16 . 1 1 59 59 GLU HA H 64 3.874 3.874 3.930 -0.056 17668 6048 1 16 . 1 1 59 59 GLU C C 64 179.866 179.866 179.084 0.782 17668 6049 1 16 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.419 -0.160 17668 6050 1 16 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.376 0.324 17668 6051 1 16 . 1 1 59 59 GLU H H 64 8.622 8.622 8.001 0.621 17668 6052 1 16 . 1 1 60 60 ARG N N 65 119.727 119.727 119.627 0.100 17668 6053 1 16 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.187 -0.094 17668 6054 1 16 . 1 1 60 60 ARG C C 65 178.310 178.310 178.866 -0.556 17668 6055 1 16 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.019 -0.763 17668 6056 1 16 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.609 -0.861 17668 6057 1 16 . 1 1 60 60 ARG H H 65 7.891 7.891 7.511 0.380 17668 6058 1 16 . 1 1 61 61 ILE N N 66 118.086 118.086 119.914 -1.828 17668 6059 1 16 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.791 -0.244 17668 6060 1 16 . 1 1 61 61 ILE C C 66 178.311 178.311 177.576 0.735 17668 6061 1 16 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.193 -0.448 17668 6062 1 16 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.834 -0.153 17668 6063 1 16 . 1 1 61 61 ILE H H 66 7.443 7.443 8.298 -0.855 17668 6064 1 16 . 1 1 62 62 ALA N N 67 121.914 121.914 122.324 -0.410 17668 6065 1 16 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.417 0.112 17668 6066 1 16 . 1 1 62 62 ALA C C 67 182.626 182.626 179.204 3.422 17668 6067 1 16 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.590 -0.340 17668 6068 1 16 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.552 -0.817 17668 6069 1 16 . 1 1 62 62 ALA H H 67 8.116 8.116 8.238 -0.122 17668 6070 1 16 . 1 1 63 63 ALA N N 68 121.367 121.367 120.615 0.752 17668 6071 1 16 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.187 -0.175 17668 6072 1 16 . 1 1 63 63 ALA C C 68 179.690 179.690 179.266 0.424 17668 6073 1 16 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.334 -0.075 17668 6074 1 16 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.641 -0.420 17668 6075 1 16 . 1 1 63 63 ALA H H 68 7.948 7.948 7.857 0.091 17668 6076 1 16 . 1 1 64 64 LEU N N 69 116.445 116.445 116.336 0.109 17668 6077 1 16 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.204 -0.057 17668 6078 1 16 . 1 1 64 64 LEU C C 69 176.931 176.931 177.187 -0.256 17668 6079 1 16 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.711 0.534 17668 6080 1 16 . 1 1 64 64 LEU CB C 69 43.241 43.241 40.772 2.469 17668 6081 1 16 . 1 1 64 64 LEU H H 69 7.247 7.247 7.581 -0.334 17668 6082 1 16 . 1 1 65 65 GLY N N 70 103.867 103.867 105.017 -1.150 17668 6083 1 16 . 1 1 65 65 GLY C C 70 173.651 173.651 174.307 -0.656 17668 6084 1 16 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.514 -0.042 17668 6085 1 16 . 1 1 65 65 GLY H H 70 7.668 7.668 7.636 0.032 17668 6086 1 16 . 1 1 66 66 TYR N N 71 119.180 119.180 121.100 -1.920 17668 6087 1 16 . 1 1 66 66 TYR C C 71 174.513 174.513 175.017 -0.504 17668 6088 1 16 . 1 1 66 66 TYR CA C 71 57.020 57.020 57.379 -0.359 17668 6089 1 16 . 1 1 66 66 TYR CB C 71 39.502 39.502 39.252 0.250 17668 6090 1 16 . 1 1 66 66 TYR H H 71 6.798 6.798 7.950 -1.152 17668 6091 1 16 . 1 1 67 67 THR N N 72 109.883 109.883 109.772 0.111 17668 6092 1 16 . 1 1 67 67 THR C C 72 173.998 173.998 173.288 0.710 17668 6093 1 16 . 1 1 67 67 THR CA C 72 60.249 60.249 61.150 -0.901 17668 6094 1 16 . 1 1 67 67 THR CB C 72 71.254 71.254 71.145 0.109 17668 6095 1 16 . 1 1 67 67 THR H H 72 8.144 8.144 8.247 -0.103 17668 6096 1 16 . 1 1 68 68 LEU N N 73 122.461 122.461 118.430 4.031 17668 6097 1 16 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.974 0.072 17668 6098 1 16 . 1 1 68 68 LEU C C 73 174.168 174.168 175.689 -1.521 17668 6099 1 16 . 1 1 68 68 LEU CA C 73 53.252 53.252 52.969 0.283 17668 6100 1 16 . 1 1 68 68 LEU CB C 73 43.743 43.743 45.313 -1.570 17668 6101 1 16 . 1 1 68 68 LEU H H 73 8.397 8.397 8.325 0.072 17668 6102 1 16 . 1 1 69 69 ALA N N 74 125.195 125.195 122.848 2.347 17668 6103 1 16 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.666 -0.328 17668 6104 1 16 . 1 1 69 69 ALA C C 74 176.931 176.931 175.752 1.179 17668 6105 1 16 . 1 1 69 69 ALA CA C 74 55.254 55.254 52.255 2.999 17668 6106 1 16 . 1 1 69 69 ALA CB C 74 18.225 18.225 20.300 -2.075 17668 6107 1 16 . 1 1 69 69 ALA H H 74 8.200 8.200 8.856 -0.656 17668 6108 1 16 . 1 1 70 70 GLU N N 75 120.820 120.820 124.816 -3.996 17668 6109 1 16 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.628 -0.153 17668 6110 1 16 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.281 2.177 17668 6111 1 16 . 1 1 70 70 GLU CB C 75 29.591 29.591 30.489 -0.898 17668 6112 1 16 . 1 1 70 70 GLU H H 75 8.397 8.397 8.529 -0.132 17668 6113 1 17 . 1 1 2 2 LEU N N 7 119.727 119.727 117.488 2.239 17668 6114 1 17 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.431 -0.093 17668 6115 1 17 . 1 1 2 2 LEU C C 7 176.410 176.410 176.139 0.271 17668 6116 1 17 . 1 1 2 2 LEU CA C 7 54.010 54.010 55.168 -1.158 17668 6117 1 17 . 1 1 2 2 LEU CB C 7 43.226 43.226 41.856 1.370 17668 6118 1 17 . 1 1 2 2 LEU H H 7 7.919 7.919 8.354 -0.435 17668 6119 1 17 . 1 1 3 3 LYS N N 8 123.008 123.008 121.389 1.619 17668 6120 1 17 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.621 -0.256 17668 6121 1 17 . 1 1 3 3 LYS C C 8 174.512 174.512 174.687 -0.175 17668 6122 1 17 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.371 0.370 17668 6123 1 17 . 1 1 3 3 LYS CB C 8 35.723 35.723 34.758 0.965 17668 6124 1 17 . 1 1 3 3 LYS H H 8 8.650 8.650 8.473 0.177 17668 6125 1 17 . 1 1 4 4 THR N N 9 120.273 120.273 116.197 4.076 17668 6126 1 17 . 1 1 4 4 THR HA H 9 5.372 5.372 4.783 0.589 17668 6127 1 17 . 1 1 4 4 THR C C 9 174.170 174.170 174.215 -0.045 17668 6128 1 17 . 1 1 4 4 THR CA C 9 61.756 61.756 61.602 0.154 17668 6129 1 17 . 1 1 4 4 THR CB C 9 70.757 70.757 69.814 0.943 17668 6130 1 17 . 1 1 4 4 THR H H 9 8.481 8.481 8.301 0.180 17668 6131 1 17 . 1 1 5 5 GLN N N 10 126.836 126.836 124.793 2.043 17668 6132 1 17 . 1 1 5 5 GLN C C 10 173.651 173.651 173.440 0.211 17668 6133 1 17 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.531 -1.295 17668 6134 1 17 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.268 2.216 17668 6135 1 17 . 1 1 5 5 GLN H H 10 9.295 9.295 8.292 1.003 17668 6136 1 17 . 1 1 6 6 GLN N N 11 121.367 121.367 123.803 -2.436 17668 6137 1 17 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.365 0.281 17668 6138 1 17 . 1 1 6 6 GLN C C 11 176.069 176.069 175.589 0.480 17668 6139 1 17 . 1 1 6 6 GLN CA C 11 53.760 53.760 55.000 -1.240 17668 6140 1 17 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.318 -0.081 17668 6141 1 17 . 1 1 6 6 GLN H H 11 8.425 8.425 8.568 -0.143 17668 6142 1 17 . 1 1 7 7 MET N N 12 120.273 120.273 115.862 4.411 17668 6143 1 17 . 1 1 7 7 MET C C 12 173.824 173.824 173.536 0.288 17668 6144 1 17 . 1 1 7 7 MET CA C 12 54.598 54.598 55.032 -0.434 17668 6145 1 17 . 1 1 7 7 MET CB C 12 37.258 37.258 36.001 1.257 17668 6146 1 17 . 1 1 7 7 MET H H 12 9.294 9.294 9.046 0.248 17668 6147 1 17 . 1 1 8 8 GLN N N 13 122.461 122.461 118.985 3.476 17668 6148 1 17 . 1 1 8 8 GLN C C 13 174.863 174.863 174.975 -0.112 17668 6149 1 17 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.077 0.676 17668 6150 1 17 . 1 1 8 8 GLN CB C 13 30.243 30.243 31.032 -0.789 17668 6151 1 17 . 1 1 8 8 GLN H H 13 8.790 8.790 8.839 -0.049 17668 6152 1 17 . 1 1 9 9 VAL N N 14 126.289 126.289 119.181 7.108 17668 6153 1 17 . 1 1 9 9 VAL C C 14 176.586 176.586 175.311 1.275 17668 6154 1 17 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.966 0.289 17668 6155 1 17 . 1 1 9 9 VAL CB C 14 33.467 33.467 33.783 -0.316 17668 6156 1 17 . 1 1 9 9 VAL H H 14 8.930 8.930 8.822 0.108 17668 6157 1 17 . 1 1 10 10 GLY N N 15 117.539 117.539 115.386 2.153 17668 6158 1 17 . 1 1 10 10 GLY C C 15 173.997 173.997 173.935 0.062 17668 6159 1 17 . 1 1 10 10 GLY CA C 15 44.245 44.245 46.845 -2.600 17668 6160 1 17 . 1 1 10 10 GLY H H 15 9.351 9.351 8.595 0.756 17668 6161 1 17 . 1 1 11 11 GLY N N 16 107.149 107.149 107.449 -0.300 17668 6162 1 17 . 1 1 11 11 GLY C C 16 176.067 176.067 173.841 2.226 17668 6163 1 17 . 1 1 11 11 GLY CA C 16 45.256 45.256 43.923 1.333 17668 6164 1 17 . 1 1 11 11 GLY H H 16 8.284 8.284 8.006 0.278 17668 6165 1 17 . 1 1 12 12 MET N N 17 118.633 118.633 119.832 -1.199 17668 6166 1 17 . 1 1 12 12 MET C C 17 177.102 177.102 176.669 0.433 17668 6167 1 17 . 1 1 12 12 MET CA C 17 57.740 57.740 56.654 1.086 17668 6168 1 17 . 1 1 12 12 MET CB C 17 34.243 34.243 32.168 2.075 17668 6169 1 17 . 1 1 12 12 MET H H 17 8.509 8.509 7.142 1.367 17668 6170 1 17 . 1 1 13 13 ARG N N 18 126.836 126.836 119.779 7.057 17668 6171 1 17 . 1 1 13 13 ARG C C 18 175.032 175.032 175.820 -0.788 17668 6172 1 17 . 1 1 13 13 ARG CA C 18 57.239 57.239 58.051 -0.812 17668 6173 1 17 . 1 1 13 13 ARG CB C 18 32.744 32.744 27.887 4.857 17668 6174 1 17 . 1 1 13 13 ARG H H 18 10.782 10.782 8.873 1.909 17668 6175 1 17 . 1 1 14 14 CYS N N 19 114.805 114.805 116.266 -1.461 17668 6176 1 17 . 1 1 14 14 CYS CA C 19 56.217 56.217 59.234 -3.017 17668 6177 1 17 . 1 1 14 14 CYS CB C 19 30.413 30.413 29.796 0.618 17668 6178 1 17 . 1 1 14 14 CYS H H 19 8.425 8.425 7.769 0.656 17668 6179 1 17 . 1 1 15 15 ALA CA C 20 51.257 51.257 51.548 -0.291 17668 6180 1 17 . 1 1 15 15 ALA CB C 20 19.247 19.247 20.419 -1.172 17668 6181 1 17 . 1 1 16 16 ALA N N 21 118.906 118.906 120.765 -1.859 17668 6182 1 17 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.454 -0.307 17668 6183 1 17 . 1 1 16 16 ALA C C 21 180.553 180.553 179.287 1.266 17668 6184 1 17 . 1 1 16 16 ALA CA C 21 54.756 54.756 53.099 1.657 17668 6185 1 17 . 1 1 16 16 ALA CB C 21 18.233 18.233 17.930 0.303 17668 6186 1 17 . 1 1 17 17 CYS N N 22 121.914 121.914 118.005 3.909 17668 6187 1 17 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.030 -0.209 17668 6188 1 17 . 1 1 17 17 CYS C C 22 177.966 177.966 176.274 1.692 17668 6189 1 17 . 1 1 17 17 CYS CA C 22 64.748 64.748 62.235 2.513 17668 6190 1 17 . 1 1 17 17 CYS CB C 22 29.245 29.245 26.228 3.017 17668 6191 1 17 . 1 1 17 17 CYS H H 22 7.640 7.640 8.507 -0.867 17668 6192 1 17 . 1 1 18 18 ALA N N 23 119.180 119.180 122.054 -2.874 17668 6193 1 17 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.926 -0.323 17668 6194 1 17 . 1 1 18 18 ALA C C 23 179.173 179.173 179.050 0.123 17668 6195 1 17 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.883 0.376 17668 6196 1 17 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.331 0.410 17668 6197 1 17 . 1 1 18 18 ALA H H 23 6.629 6.629 8.769 -2.140 17668 6198 1 17 . 1 1 19 19 SER N N 24 112.618 112.618 112.414 0.204 17668 6199 1 17 . 1 1 19 19 SER HA H 24 4.147 4.147 4.424 -0.277 17668 6200 1 17 . 1 1 19 19 SER C C 24 176.764 176.764 176.831 -0.067 17668 6201 1 17 . 1 1 19 19 SER CA C 24 61.259 61.259 60.818 0.441 17668 6202 1 17 . 1 1 19 19 SER CB C 24 62.754 62.754 63.902 -1.148 17668 6203 1 17 . 1 1 19 19 SER H H 24 7.752 7.752 8.236 -0.484 17668 6204 1 17 . 1 1 20 20 SER N N 25 116.992 116.992 120.121 -3.129 17668 6205 1 17 . 1 1 20 20 SER HA H 25 3.521 3.521 4.222 -0.701 17668 6206 1 17 . 1 1 20 20 SER C C 25 177.448 177.448 176.461 0.987 17668 6207 1 17 . 1 1 20 20 SER CA C 25 61.870 61.870 61.694 0.175 17668 6208 1 17 . 1 1 20 20 SER CB C 25 62.751 62.751 62.992 -0.241 17668 6209 1 17 . 1 1 20 20 SER H H 25 7.989 7.989 7.995 -0.006 17668 6210 1 17 . 1 1 21 21 ILE N N 26 122.461 122.461 122.662 -0.201 17668 6211 1 17 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.805 -0.475 17668 6212 1 17 . 1 1 21 21 ILE C C 26 176.930 176.930 177.331 -0.401 17668 6213 1 17 . 1 1 21 21 ILE CA C 26 66.255 66.255 65.681 0.574 17668 6214 1 17 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.119 0.118 17668 6215 1 17 . 1 1 21 21 ILE H H 26 7.583 7.583 8.656 -1.073 17668 6216 1 17 . 1 1 22 22 GLU N N 27 116.992 116.992 118.970 -1.978 17668 6217 1 17 . 1 1 22 22 GLU HA H 27 3.466 3.466 4.017 -0.551 17668 6218 1 17 . 1 1 22 22 GLU C C 27 178.916 178.916 178.619 0.297 17668 6219 1 17 . 1 1 22 22 GLU CA C 27 60.753 60.753 58.755 1.998 17668 6220 1 17 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.674 0.033 17668 6221 1 17 . 1 1 22 22 GLU H H 27 8.004 8.004 7.775 0.229 17668 6222 1 17 . 1 1 23 23 ARG N N 28 114.805 114.805 118.092 -3.287 17668 6223 1 17 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.199 -0.243 17668 6224 1 17 . 1 1 23 23 ARG C C 28 179.517 179.517 176.957 2.560 17668 6225 1 17 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.124 0.628 17668 6226 1 17 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.310 0.436 17668 6227 1 17 . 1 1 23 23 ARG H H 28 8.256 8.256 8.313 -0.057 17668 6228 1 17 . 1 1 24 24 ALA N N 29 118.633 118.633 121.750 -3.117 17668 6229 1 17 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.424 -0.467 17668 6230 1 17 . 1 1 24 24 ALA C C 29 181.073 181.073 179.058 2.015 17668 6231 1 17 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.014 1.736 17668 6232 1 17 . 1 1 24 24 ALA CB C 29 18.729 18.729 19.637 -0.908 17668 6233 1 17 . 1 1 24 24 ALA H H 29 7.555 7.555 7.672 -0.117 17668 6234 1 17 . 1 1 25 25 LEU N N 30 115.899 115.899 121.457 -5.558 17668 6235 1 17 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.073 -0.089 17668 6236 1 17 . 1 1 25 25 LEU C C 30 178.658 178.658 178.265 0.393 17668 6237 1 17 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.850 -0.629 17668 6238 1 17 . 1 1 25 25 LEU CB C 30 41.248 41.248 42.055 -0.807 17668 6239 1 17 . 1 1 25 25 LEU H H 30 7.976 7.976 8.493 -0.517 17668 6240 1 17 . 1 1 26 26 GLU N N 31 115.899 115.899 115.081 0.818 17668 6241 1 17 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.123 -0.385 17668 6242 1 17 . 1 1 26 26 GLU C C 31 177.793 177.793 177.640 0.153 17668 6243 1 17 . 1 1 26 26 GLU CA C 31 58.727 58.727 58.364 0.364 17668 6244 1 17 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.536 -0.295 17668 6245 1 17 . 1 1 26 26 GLU H H 31 8.116 8.116 7.895 0.221 17668 6246 1 17 . 1 1 27 27 ARG N N 32 114.258 114.258 117.806 -3.548 17668 6247 1 17 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.430 -0.283 17668 6248 1 17 . 1 1 27 27 ARG C C 32 176.757 176.757 177.071 -0.314 17668 6249 1 17 . 1 1 27 27 ARG CA C 32 56.250 56.250 56.108 0.142 17668 6250 1 17 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.467 -0.723 17668 6251 1 17 . 1 1 27 27 ARG H H 32 6.854 6.854 7.616 -0.762 17668 6252 1 17 . 1 1 28 28 LEU N N 33 123.008 123.008 123.106 -0.098 17668 6253 1 17 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.176 0.026 17668 6254 1 17 . 1 1 28 28 LEU C C 33 176.412 176.412 176.915 -0.503 17668 6255 1 17 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.020 -0.771 17668 6256 1 17 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.129 -0.390 17668 6257 1 17 . 1 1 28 28 LEU H H 33 7.501 7.501 7.485 0.016 17668 6258 1 17 . 1 1 29 29 LYS N N 34 127.383 127.383 124.816 2.567 17668 6259 1 17 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.010 -0.136 17668 6260 1 17 . 1 1 29 29 LYS C C 34 176.412 176.412 177.390 -0.978 17668 6261 1 17 . 1 1 29 29 LYS CA C 34 58.242 58.242 58.189 0.053 17668 6262 1 17 . 1 1 29 29 LYS CB C 34 31.746 31.746 31.948 -0.202 17668 6263 1 17 . 1 1 29 29 LYS H H 34 8.341 8.341 8.725 -0.384 17668 6264 1 17 . 1 1 30 30 GLY N N 35 111.524 111.524 110.785 0.739 17668 6265 1 17 . 1 1 30 30 GLY C C 35 175.715 175.715 173.676 2.039 17668 6266 1 17 . 1 1 30 30 GLY CA C 35 45.488 45.488 44.860 0.628 17668 6267 1 17 . 1 1 30 30 GLY H H 35 8.509 8.509 8.515 -0.006 17668 6268 1 17 . 1 1 31 31 VAL N N 36 122.461 122.461 120.008 2.453 17668 6269 1 17 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.419 -0.545 17668 6270 1 17 . 1 1 31 31 VAL C C 36 175.032 175.032 174.749 0.283 17668 6271 1 17 . 1 1 31 31 VAL CA C 36 63.757 63.757 62.192 1.565 17668 6272 1 17 . 1 1 31 31 VAL CB C 36 31.250 31.250 32.446 -1.196 17668 6273 1 17 . 1 1 31 31 VAL H H 36 7.892 7.892 7.953 -0.061 17668 6274 1 17 . 1 1 32 32 ALA N N 37 131.758 131.758 130.230 1.528 17668 6275 1 17 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.628 -0.263 17668 6276 1 17 . 1 1 32 32 ALA C C 37 177.619 177.619 176.797 0.822 17668 6277 1 17 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.159 1.087 17668 6278 1 17 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.615 -0.893 17668 6279 1 17 . 1 1 32 32 ALA H H 37 9.042 9.042 8.996 0.046 17668 6280 1 17 . 1 1 33 33 GLU N N 38 114.258 114.258 118.081 -3.823 17668 6281 1 17 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.535 -0.034 17668 6282 1 17 . 1 1 33 33 GLU C C 38 173.651 173.651 173.767 -0.116 17668 6283 1 17 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.666 -1.089 17668 6284 1 17 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.458 1.208 17668 6285 1 17 . 1 1 33 33 GLU H H 38 7.555 7.555 7.664 -0.109 17668 6286 1 17 . 1 1 34 34 ALA N N 39 125.742 125.742 126.203 -0.461 17668 6287 1 17 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.102 -0.001 17668 6288 1 17 . 1 1 34 34 ALA C C 39 175.033 175.033 175.644 -0.611 17668 6289 1 17 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.594 -0.314 17668 6290 1 17 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.105 1.133 17668 6291 1 17 . 1 1 34 34 ALA H H 39 9.014 9.014 8.482 0.532 17668 6292 1 17 . 1 1 35 35 SER N N 40 113.711 113.711 117.700 -3.989 17668 6293 1 17 . 1 1 35 35 SER HA H 40 4.855 4.855 5.164 -0.309 17668 6294 1 17 . 1 1 35 35 SER C C 40 173.824 173.824 173.740 0.084 17668 6295 1 17 . 1 1 35 35 SER CA C 40 56.254 56.254 57.711 -1.457 17668 6296 1 17 . 1 1 35 35 SER CB C 40 65.255 65.255 66.477 -1.222 17668 6297 1 17 . 1 1 35 35 SER H H 40 8.481 8.481 8.798 -0.317 17668 6298 1 17 . 1 1 36 36 VAL N N 41 129.570 129.570 121.617 7.953 17668 6299 1 17 . 1 1 36 36 VAL C C 41 175.204 175.204 175.514 -0.310 17668 6300 1 17 . 1 1 36 36 VAL CA C 41 60.265 60.265 60.477 -0.212 17668 6301 1 17 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.205 1.538 17668 6302 1 17 . 1 1 36 36 VAL H H 41 10.164 10.164 9.366 0.798 17668 6303 1 17 . 1 1 37 37 THR N N 42 123.008 123.008 120.398 2.610 17668 6304 1 17 . 1 1 37 37 THR HA H 42 4.392 4.392 4.704 -0.312 17668 6305 1 17 . 1 1 37 37 THR C C 42 175.030 175.030 174.924 0.106 17668 6306 1 17 . 1 1 37 37 THR CA C 42 60.760 60.760 61.420 -0.660 17668 6307 1 17 . 1 1 37 37 THR CB C 42 69.255 69.255 70.034 -0.779 17668 6308 1 17 . 1 1 37 37 THR H H 42 8.453 8.453 8.281 0.172 17668 6309 1 17 . 1 1 38 38 VAL N N 43 128.476 128.476 127.169 1.307 17668 6310 1 17 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.753 -0.451 17668 6311 1 17 . 1 1 38 38 VAL C C 43 176.067 176.067 176.446 -0.379 17668 6312 1 17 . 1 1 38 38 VAL CA C 43 63.268 63.268 64.438 -1.169 17668 6313 1 17 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.909 0.318 17668 6314 1 17 . 1 1 38 38 VAL H H 43 8.789 8.789 8.720 0.069 17668 6315 1 17 . 1 1 39 39 ALA N N 44 119.180 119.180 122.043 -2.863 17668 6316 1 17 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.223 -0.239 17668 6317 1 17 . 1 1 39 39 ALA C C 44 179.167 179.167 178.655 0.512 17668 6318 1 17 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.381 0.844 17668 6319 1 17 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.618 0.377 17668 6320 1 17 . 1 1 39 39 ALA H H 44 8.509 8.509 7.988 0.521 17668 6321 1 17 . 1 1 40 40 THR N N 45 135.586 135.586 105.442 30.144 17668 6322 1 17 . 1 1 40 40 THR HA H 45 4.338 4.338 4.395 -0.057 17668 6323 1 17 . 1 1 40 40 THR C C 45 176.237 176.237 175.336 0.901 17668 6324 1 17 . 1 1 40 40 THR CA C 45 60.254 60.254 61.049 -0.795 17668 6325 1 17 . 1 1 40 40 THR CB C 45 70.261 70.261 70.455 -0.194 17668 6326 1 17 . 1 1 40 40 THR H H 45 6.713 6.713 7.524 -0.811 17668 6327 1 17 . 1 1 41 41 GLY N N 46 110.977 110.977 111.991 -1.014 17668 6328 1 17 . 1 1 41 41 GLY C C 46 172.096 172.096 172.981 -0.885 17668 6329 1 17 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.398 0.827 17668 6330 1 17 . 1 1 41 41 GLY H H 46 7.835 7.835 8.002 -0.167 17668 6331 1 17 . 1 1 42 42 ARG N N 47 118.086 118.086 117.716 0.370 17668 6332 1 17 . 1 1 42 42 ARG C C 47 175.032 175.032 173.225 1.807 17668 6333 1 17 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.746 1.504 17668 6334 1 17 . 1 1 42 42 ARG CB C 47 31.739 31.739 33.056 -1.317 17668 6335 1 17 . 1 1 42 42 ARG H H 47 7.303 7.303 8.098 -0.795 17668 6336 1 17 . 1 1 43 43 LEU N N 48 129.023 129.023 119.889 9.134 17668 6337 1 17 . 1 1 43 43 LEU HA H 48 5.019 5.019 4.876 0.143 17668 6338 1 17 . 1 1 43 43 LEU C C 48 175.033 175.033 174.761 0.272 17668 6339 1 17 . 1 1 43 43 LEU CA C 48 53.250 53.250 54.139 -0.888 17668 6340 1 17 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.820 -1.739 17668 6341 1 17 . 1 1 43 43 LEU H H 48 8.986 8.986 8.826 0.160 17668 6342 1 17 . 1 1 44 44 THR N N 49 123.008 123.008 118.919 4.089 17668 6343 1 17 . 1 1 44 44 THR HA H 49 4.964 4.964 5.347 -0.383 17668 6344 1 17 . 1 1 44 44 THR C C 49 173.475 173.475 172.661 0.814 17668 6345 1 17 . 1 1 44 44 THR CA C 49 61.752 61.752 61.608 0.144 17668 6346 1 17 . 1 1 44 44 THR CB C 49 69.756 69.756 71.307 -1.551 17668 6347 1 17 . 1 1 44 44 THR H H 49 9.154 9.154 8.426 0.728 17668 6348 1 17 . 1 1 45 45 VAL N N 50 125.195 125.195 126.022 -0.827 17668 6349 1 17 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.809 0.373 17668 6350 1 17 . 1 1 45 45 VAL C C 50 172.614 172.614 173.427 -0.813 17668 6351 1 17 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.506 -1.744 17668 6352 1 17 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.631 -1.179 17668 6353 1 17 . 1 1 45 45 VAL H H 50 9.071 9.071 9.191 -0.120 17668 6354 1 17 . 1 1 46 46 THR N N 51 124.648 124.648 125.214 -0.566 17668 6355 1 17 . 1 1 46 46 THR HA H 51 5.782 5.782 5.147 0.635 17668 6356 1 17 . 1 1 46 46 THR C C 51 174.684 174.684 173.076 1.608 17668 6357 1 17 . 1 1 46 46 THR CA C 51 61.248 61.248 60.934 0.314 17668 6358 1 17 . 1 1 46 46 THR CB C 51 70.265 70.265 69.578 0.687 17668 6359 1 17 . 1 1 46 46 THR H H 51 8.930 8.930 8.969 -0.039 17668 6360 1 17 . 1 1 47 47 TYR N N 52 124.648 124.648 123.800 0.848 17668 6361 1 17 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.290 0.001 17668 6362 1 17 . 1 1 47 47 TYR C C 52 171.408 171.408 173.015 -1.607 17668 6363 1 17 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.453 -0.208 17668 6364 1 17 . 1 1 47 47 TYR CB C 52 41.754 41.754 40.865 0.889 17668 6365 1 17 . 1 1 47 47 TYR H H 52 9.603 9.603 8.327 1.276 17668 6366 1 17 . 1 1 48 48 ASP N N 53 119.180 119.180 120.902 -1.722 17668 6367 1 17 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.368 -0.403 17668 6368 1 17 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.276 -0.268 17668 6369 1 17 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.258 -1.700 17668 6370 1 17 . 1 1 48 48 ASP H H 53 8.481 8.481 8.546 -0.064 17668 6371 1 17 . 1 1 49 49 PRO HA H 54 5.373 5.373 5.062 0.311 17668 6372 1 17 . 1 1 49 49 PRO C C 54 178.311 178.311 176.266 2.045 17668 6373 1 17 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.686 -0.423 17668 6374 1 17 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.550 0.693 17668 6375 1 17 . 1 1 50 50 LYS N N 55 116.992 116.992 118.483 -1.491 17668 6376 1 17 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.396 -0.276 17668 6377 1 17 . 1 1 50 50 LYS C C 55 177.802 177.802 177.854 -0.052 17668 6378 1 17 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.763 0.963 17668 6379 1 17 . 1 1 50 50 LYS CB C 55 31.865 31.865 34.022 -2.157 17668 6380 1 17 . 1 1 50 50 LYS H H 55 8.284 8.284 7.871 0.413 17668 6381 1 17 . 1 1 51 51 GLN N N 56 115.352 115.352 118.905 -3.553 17668 6382 1 17 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.183 0.128 17668 6383 1 17 . 1 1 51 51 GLN C C 56 175.031 175.031 176.715 -1.684 17668 6384 1 17 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.237 -1.482 17668 6385 1 17 . 1 1 51 51 GLN CB C 56 33.752 33.752 29.713 4.039 17668 6386 1 17 . 1 1 51 51 GLN H H 56 7.864 7.864 8.697 -0.833 17668 6387 1 17 . 1 1 52 52 VAL N N 57 120.273 120.273 112.551 7.722 17668 6388 1 17 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.507 -0.114 17668 6389 1 17 . 1 1 52 52 VAL C C 57 170.718 170.718 173.745 -3.027 17668 6390 1 17 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.508 0.264 17668 6391 1 17 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.714 -0.486 17668 6392 1 17 . 1 1 52 52 VAL H H 57 8.172 8.172 8.013 0.159 17668 6393 1 17 . 1 1 53 53 SER N N 58 116.992 116.992 113.466 3.526 17668 6394 1 17 . 1 1 53 53 SER C C 58 175.377 175.377 175.408 -0.031 17668 6395 1 17 . 1 1 53 53 SER CA C 58 55.251 55.251 56.906 -1.655 17668 6396 1 17 . 1 1 53 53 SER CB C 58 66.750 66.750 66.084 0.666 17668 6397 1 17 . 1 1 53 53 SER H H 58 7.611 7.611 8.135 -0.524 17668 6398 1 17 . 1 1 54 54 GLU N N 59 120.820 120.820 121.373 -0.553 17668 6399 1 17 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.931 -0.573 17668 6400 1 17 . 1 1 54 54 GLU C C 59 178.308 178.308 178.010 0.298 17668 6401 1 17 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.693 1.050 17668 6402 1 17 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.841 0.399 17668 6403 1 17 . 1 1 54 54 GLU H H 59 8.930 8.930 8.862 0.068 17668 6404 1 17 . 1 1 55 55 ILE N N 60 118.086 118.086 120.949 -2.863 17668 6405 1 17 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.676 0.062 17668 6406 1 17 . 1 1 55 55 ILE C C 60 177.448 177.448 178.215 -0.767 17668 6407 1 17 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.088 -0.339 17668 6408 1 17 . 1 1 55 55 ILE CB C 60 37.515 37.515 37.294 0.221 17668 6409 1 17 . 1 1 55 55 ILE H H 60 7.583 7.583 7.711 -0.128 17668 6410 1 17 . 1 1 56 56 THR N N 61 119.727 119.727 114.971 4.756 17668 6411 1 17 . 1 1 56 56 THR HA H 61 3.766 3.766 3.958 -0.192 17668 6412 1 17 . 1 1 56 56 THR C C 61 177.104 177.104 176.163 0.941 17668 6413 1 17 . 1 1 56 56 THR CA C 61 66.264 66.264 66.727 -0.463 17668 6414 1 17 . 1 1 56 56 THR CB C 61 68.245 68.245 68.623 -0.378 17668 6415 1 17 . 1 1 56 56 THR H H 61 7.471 7.471 7.879 -0.408 17668 6416 1 17 . 1 1 57 57 ILE N N 62 121.367 121.367 120.370 0.997 17668 6417 1 17 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.079 -1.048 17668 6418 1 17 . 1 1 57 57 ILE C C 62 176.756 176.756 176.891 -0.135 17668 6419 1 17 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.205 3.555 17668 6420 1 17 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.298 -0.047 17668 6421 1 17 . 1 1 57 57 ILE H H 62 7.259 7.259 7.433 -0.174 17668 6422 1 17 . 1 1 58 58 GLN N N 63 117.539 117.539 119.890 -2.351 17668 6423 1 17 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.826 -0.224 17668 6424 1 17 . 1 1 58 58 GLN C C 63 179.172 179.172 178.578 0.594 17668 6425 1 17 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.449 0.306 17668 6426 1 17 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.212 -0.478 17668 6427 1 17 . 1 1 58 58 GLN H H 63 7.976 7.976 8.725 -0.749 17668 6428 1 17 . 1 1 59 59 GLU N N 64 119.180 119.180 116.569 2.611 17668 6429 1 17 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.046 -0.172 17668 6430 1 17 . 1 1 59 59 GLU C C 64 179.866 179.866 178.876 0.990 17668 6431 1 17 . 1 1 59 59 GLU CA C 64 59.259 59.259 58.733 0.526 17668 6432 1 17 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.090 0.610 17668 6433 1 17 . 1 1 59 59 GLU H H 64 8.622 8.622 7.821 0.801 17668 6434 1 17 . 1 1 60 60 ARG N N 65 119.727 119.727 120.992 -1.265 17668 6435 1 17 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.142 -0.049 17668 6436 1 17 . 1 1 60 60 ARG C C 65 178.310 178.310 178.643 -0.333 17668 6437 1 17 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.813 -1.557 17668 6438 1 17 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.765 -1.017 17668 6439 1 17 . 1 1 60 60 ARG H H 65 7.891 7.891 7.524 0.367 17668 6440 1 17 . 1 1 61 61 ILE N N 66 118.086 118.086 119.245 -1.159 17668 6441 1 17 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.773 -0.226 17668 6442 1 17 . 1 1 61 61 ILE C C 66 178.311 178.311 177.659 0.652 17668 6443 1 17 . 1 1 61 61 ILE CA C 66 64.745 64.745 64.791 -0.046 17668 6444 1 17 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.785 -0.104 17668 6445 1 17 . 1 1 61 61 ILE H H 66 7.443 7.443 7.689 -0.246 17668 6446 1 17 . 1 1 62 62 ALA N N 67 121.914 121.914 122.384 -0.470 17668 6447 1 17 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.568 -0.039 17668 6448 1 17 . 1 1 62 62 ALA C C 67 182.626 182.626 180.243 2.383 17668 6449 1 17 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.595 -0.345 17668 6450 1 17 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.337 -0.602 17668 6451 1 17 . 1 1 62 62 ALA H H 67 8.116 8.116 8.361 -0.245 17668 6452 1 17 . 1 1 63 63 ALA N N 68 121.367 121.367 121.583 -0.216 17668 6453 1 17 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.154 -0.142 17668 6454 1 17 . 1 1 63 63 ALA C C 68 179.690 179.690 178.953 0.737 17668 6455 1 17 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.339 -0.080 17668 6456 1 17 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.631 -0.410 17668 6457 1 17 . 1 1 63 63 ALA H H 68 7.948 7.948 7.822 0.126 17668 6458 1 17 . 1 1 64 64 LEU N N 69 116.445 116.445 116.190 0.255 17668 6459 1 17 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.315 -0.168 17668 6460 1 17 . 1 1 64 64 LEU C C 69 176.931 176.931 176.933 -0.002 17668 6461 1 17 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.734 0.511 17668 6462 1 17 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.953 1.288 17668 6463 1 17 . 1 1 64 64 LEU H H 69 7.247 7.247 7.644 -0.397 17668 6464 1 17 . 1 1 65 65 GLY N N 70 103.867 103.867 104.699 -0.832 17668 6465 1 17 . 1 1 65 65 GLY C C 70 173.651 173.651 174.300 -0.649 17668 6466 1 17 . 1 1 65 65 GLY CA C 70 44.472 44.472 45.069 -0.597 17668 6467 1 17 . 1 1 65 65 GLY H H 70 7.668 7.668 7.559 0.109 17668 6468 1 17 . 1 1 66 66 TYR N N 71 119.180 119.180 119.742 -0.562 17668 6469 1 17 . 1 1 66 66 TYR C C 71 174.513 174.513 174.697 -0.184 17668 6470 1 17 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.760 0.260 17668 6471 1 17 . 1 1 66 66 TYR CB C 71 39.502 39.502 41.298 -1.796 17668 6472 1 17 . 1 1 66 66 TYR H H 71 6.798 6.798 8.035 -1.237 17668 6473 1 17 . 1 1 67 67 THR N N 72 109.883 109.883 115.109 -5.226 17668 6474 1 17 . 1 1 67 67 THR C C 72 173.998 173.998 172.684 1.314 17668 6475 1 17 . 1 1 67 67 THR CA C 72 60.249 60.249 61.612 -1.363 17668 6476 1 17 . 1 1 67 67 THR CB C 72 71.254 71.254 71.059 0.194 17668 6477 1 17 . 1 1 67 67 THR H H 72 8.144 8.144 8.264 -0.120 17668 6478 1 17 . 1 1 68 68 LEU N N 73 122.461 122.461 126.865 -4.404 17668 6479 1 17 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.762 0.284 17668 6480 1 17 . 1 1 68 68 LEU C C 73 174.168 174.168 175.163 -0.995 17668 6481 1 17 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.808 -0.556 17668 6482 1 17 . 1 1 68 68 LEU CB C 73 43.743 43.743 43.976 -0.233 17668 6483 1 17 . 1 1 68 68 LEU H H 73 8.397 8.397 8.779 -0.382 17668 6484 1 17 . 1 1 69 69 ALA N N 74 125.195 125.195 125.403 -0.208 17668 6485 1 17 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.740 -0.402 17668 6486 1 17 . 1 1 69 69 ALA C C 74 176.931 176.931 175.441 1.490 17668 6487 1 17 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.409 3.845 17668 6488 1 17 . 1 1 69 69 ALA CB C 74 18.225 18.225 21.923 -3.698 17668 6489 1 17 . 1 1 69 69 ALA H H 74 8.200 8.200 8.714 -0.514 17668 6490 1 17 . 1 1 70 70 GLU N N 75 120.820 120.820 124.910 -4.090 17668 6491 1 17 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.647 -0.173 17668 6492 1 17 . 1 1 70 70 GLU CA C 75 54.458 54.458 51.831 2.627 17668 6493 1 17 . 1 1 70 70 GLU CB C 75 29.591 29.591 30.882 -1.291 17668 6494 1 17 . 1 1 70 70 GLU H H 75 8.397 8.397 8.767 -0.370 17668 6495 1 18 . 1 1 2 2 LEU N N 7 119.727 119.727 117.635 2.092 17668 6496 1 18 . 1 1 2 2 LEU HA H 7 4.338 4.338 5.351 -1.013 17668 6497 1 18 . 1 1 2 2 LEU C C 7 176.410 176.410 175.554 0.856 17668 6498 1 18 . 1 1 2 2 LEU CA C 7 54.010 54.010 53.595 0.415 17668 6499 1 18 . 1 1 2 2 LEU CB C 7 43.226 43.226 45.837 -2.611 17668 6500 1 18 . 1 1 2 2 LEU H H 7 7.919 7.919 8.346 -0.427 17668 6501 1 18 . 1 1 3 3 LYS N N 8 123.008 123.008 118.724 4.284 17668 6502 1 18 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.654 -0.289 17668 6503 1 18 . 1 1 3 3 LYS C C 8 174.512 174.512 174.375 0.137 17668 6504 1 18 . 1 1 3 3 LYS CA C 8 54.741 54.741 55.004 -0.263 17668 6505 1 18 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.488 0.235 17668 6506 1 18 . 1 1 3 3 LYS H H 8 8.650 8.650 8.846 -0.196 17668 6507 1 18 . 1 1 4 4 THR N N 9 120.273 120.273 117.523 2.750 17668 6508 1 18 . 1 1 4 4 THR HA H 9 5.372 5.372 4.900 0.472 17668 6509 1 18 . 1 1 4 4 THR C C 9 174.170 174.170 174.224 -0.054 17668 6510 1 18 . 1 1 4 4 THR CA C 9 61.756 61.756 61.738 0.018 17668 6511 1 18 . 1 1 4 4 THR CB C 9 70.757 70.757 69.505 1.252 17668 6512 1 18 . 1 1 4 4 THR H H 9 8.481 8.481 8.322 0.159 17668 6513 1 18 . 1 1 5 5 GLN N N 10 126.836 126.836 123.113 3.723 17668 6514 1 18 . 1 1 5 5 GLN C C 10 173.651 173.651 173.298 0.353 17668 6515 1 18 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.331 -1.095 17668 6516 1 18 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.007 2.477 17668 6517 1 18 . 1 1 5 5 GLN H H 10 9.295 9.295 8.549 0.746 17668 6518 1 18 . 1 1 6 6 GLN N N 11 121.367 121.367 126.270 -4.903 17668 6519 1 18 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.403 0.243 17668 6520 1 18 . 1 1 6 6 GLN C C 11 176.069 176.069 175.163 0.906 17668 6521 1 18 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.709 -0.949 17668 6522 1 18 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.252 -0.015 17668 6523 1 18 . 1 1 6 6 GLN H H 11 8.425 8.425 8.510 -0.085 17668 6524 1 18 . 1 1 7 7 MET N N 12 120.273 120.273 120.941 -0.668 17668 6525 1 18 . 1 1 7 7 MET C C 12 173.824 173.824 173.597 0.227 17668 6526 1 18 . 1 1 7 7 MET CA C 12 54.598 54.598 54.285 0.313 17668 6527 1 18 . 1 1 7 7 MET CB C 12 37.258 37.258 36.118 1.139 17668 6528 1 18 . 1 1 7 7 MET H H 12 9.294 9.294 9.145 0.149 17668 6529 1 18 . 1 1 8 8 GLN N N 13 122.461 122.461 118.987 3.474 17668 6530 1 18 . 1 1 8 8 GLN C C 13 174.863 174.863 174.068 0.795 17668 6531 1 18 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.505 0.248 17668 6532 1 18 . 1 1 8 8 GLN CB C 13 30.243 30.243 32.514 -2.271 17668 6533 1 18 . 1 1 8 8 GLN H H 13 8.790 8.790 8.791 -0.001 17668 6534 1 18 . 1 1 9 9 VAL N N 14 126.289 126.289 120.840 5.449 17668 6535 1 18 . 1 1 9 9 VAL C C 14 176.586 176.586 174.428 2.158 17668 6536 1 18 . 1 1 9 9 VAL CA C 14 61.255 61.255 59.457 1.798 17668 6537 1 18 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.640 -2.173 17668 6538 1 18 . 1 1 9 9 VAL H H 14 8.930 8.930 8.609 0.321 17668 6539 1 18 . 1 1 10 10 GLY N N 15 117.539 117.539 110.639 6.900 17668 6540 1 18 . 1 1 10 10 GLY C C 15 173.997 173.997 174.639 -0.642 17668 6541 1 18 . 1 1 10 10 GLY CA C 15 44.245 44.245 45.474 -1.229 17668 6542 1 18 . 1 1 10 10 GLY H H 15 9.351 9.351 8.163 1.188 17668 6543 1 18 . 1 1 11 11 GLY N N 16 107.149 107.149 107.197 -0.048 17668 6544 1 18 . 1 1 11 11 GLY C C 16 176.067 176.067 174.795 1.272 17668 6545 1 18 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.676 -0.420 17668 6546 1 18 . 1 1 11 11 GLY H H 16 8.284 8.284 8.533 -0.249 17668 6547 1 18 . 1 1 12 12 MET N N 17 118.633 118.633 118.569 0.064 17668 6548 1 18 . 1 1 12 12 MET C C 17 177.102 177.102 176.678 0.424 17668 6549 1 18 . 1 1 12 12 MET CA C 17 57.740 57.740 55.627 2.113 17668 6550 1 18 . 1 1 12 12 MET CB C 17 34.243 34.243 31.960 2.283 17668 6551 1 18 . 1 1 12 12 MET H H 17 8.509 8.509 7.474 1.035 17668 6552 1 18 . 1 1 13 13 ARG N N 18 126.836 126.836 118.571 8.265 17668 6553 1 18 . 1 1 13 13 ARG C C 18 175.032 175.032 175.588 -0.556 17668 6554 1 18 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.477 0.762 17668 6555 1 18 . 1 1 13 13 ARG CB C 18 32.744 32.744 27.484 5.260 17668 6556 1 18 . 1 1 13 13 ARG H H 18 10.782 10.782 7.439 3.343 17668 6557 1 18 . 1 1 14 14 CYS N N 19 114.805 114.805 118.710 -3.905 17668 6558 1 18 . 1 1 14 14 CYS CA C 19 56.217 56.217 58.026 -1.809 17668 6559 1 18 . 1 1 14 14 CYS CB C 19 30.413 30.413 30.330 0.083 17668 6560 1 18 . 1 1 14 14 CYS H H 19 8.425 8.425 7.932 0.493 17668 6561 1 18 . 1 1 15 15 ALA CA C 20 51.257 51.257 55.218 -3.961 17668 6562 1 18 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.942 0.305 17668 6563 1 18 . 1 1 16 16 ALA N N 21 118.906 118.906 120.709 -1.803 17668 6564 1 18 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.030 0.117 17668 6565 1 18 . 1 1 16 16 ALA C C 21 180.553 180.553 179.243 1.310 17668 6566 1 18 . 1 1 16 16 ALA CA C 21 54.756 54.756 55.019 -0.263 17668 6567 1 18 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.180 0.053 17668 6568 1 18 . 1 1 17 17 CYS N N 22 121.914 121.914 115.255 6.659 17668 6569 1 18 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.610 -0.789 17668 6570 1 18 . 1 1 17 17 CYS C C 22 177.966 177.966 177.089 0.877 17668 6571 1 18 . 1 1 17 17 CYS CA C 22 64.748 64.748 59.079 5.669 17668 6572 1 18 . 1 1 17 17 CYS CB C 22 29.245 29.245 28.088 1.157 17668 6573 1 18 . 1 1 17 17 CYS H H 22 7.640 7.640 7.500 0.140 17668 6574 1 18 . 1 1 18 18 ALA N N 23 119.180 119.180 124.861 -5.681 17668 6575 1 18 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.946 -0.343 17668 6576 1 18 . 1 1 18 18 ALA C C 23 179.173 179.173 178.999 0.174 17668 6577 1 18 . 1 1 18 18 ALA CA C 23 55.258 55.258 55.055 0.203 17668 6578 1 18 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.130 0.611 17668 6579 1 18 . 1 1 18 18 ALA H H 23 6.629 6.629 8.557 -1.928 17668 6580 1 18 . 1 1 19 19 SER N N 24 112.618 112.618 113.101 -0.483 17668 6581 1 18 . 1 1 19 19 SER HA H 24 4.147 4.147 4.291 -0.144 17668 6582 1 18 . 1 1 19 19 SER C C 24 176.764 176.764 176.870 -0.106 17668 6583 1 18 . 1 1 19 19 SER CA C 24 61.259 61.259 61.076 0.183 17668 6584 1 18 . 1 1 19 19 SER CB C 24 62.754 62.754 63.001 -0.247 17668 6585 1 18 . 1 1 19 19 SER H H 24 7.752 7.752 8.400 -0.648 17668 6586 1 18 . 1 1 20 20 SER N N 25 116.992 116.992 119.082 -2.090 17668 6587 1 18 . 1 1 20 20 SER HA H 25 3.521 3.521 4.302 -0.781 17668 6588 1 18 . 1 1 20 20 SER C C 25 177.448 177.448 176.088 1.360 17668 6589 1 18 . 1 1 20 20 SER CA C 25 61.870 61.870 61.605 0.265 17668 6590 1 18 . 1 1 20 20 SER CB C 25 62.751 62.751 63.081 -0.330 17668 6591 1 18 . 1 1 20 20 SER H H 25 7.989 7.989 7.402 0.587 17668 6592 1 18 . 1 1 21 21 ILE N N 26 122.461 122.461 123.091 -0.630 17668 6593 1 18 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.869 -0.539 17668 6594 1 18 . 1 1 21 21 ILE C C 26 176.930 176.930 177.194 -0.264 17668 6595 1 18 . 1 1 21 21 ILE CA C 26 66.255 66.255 64.139 2.115 17668 6596 1 18 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.236 0.001 17668 6597 1 18 . 1 1 21 21 ILE H H 26 7.583 7.583 7.864 -0.281 17668 6598 1 18 . 1 1 22 22 GLU N N 27 116.992 116.992 119.515 -2.523 17668 6599 1 18 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.929 -0.463 17668 6600 1 18 . 1 1 22 22 GLU C C 27 178.916 178.916 179.015 -0.099 17668 6601 1 18 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.615 1.138 17668 6602 1 18 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.595 0.112 17668 6603 1 18 . 1 1 22 22 GLU H H 27 8.004 8.004 8.386 -0.382 17668 6604 1 18 . 1 1 23 23 ARG N N 28 114.805 114.805 118.989 -4.184 17668 6605 1 18 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.008 -0.052 17668 6606 1 18 . 1 1 23 23 ARG C C 28 179.517 179.517 178.026 1.491 17668 6607 1 18 . 1 1 23 23 ARG CA C 28 58.752 58.752 59.419 -0.667 17668 6608 1 18 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.236 0.510 17668 6609 1 18 . 1 1 23 23 ARG H H 28 8.256 8.256 7.986 0.270 17668 6610 1 18 . 1 1 24 24 ALA N N 29 118.633 118.633 121.819 -3.186 17668 6611 1 18 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.251 -0.294 17668 6612 1 18 . 1 1 24 24 ALA C C 29 181.073 181.073 179.589 1.484 17668 6613 1 18 . 1 1 24 24 ALA CA C 29 54.749 54.749 54.226 0.523 17668 6614 1 18 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.365 0.364 17668 6615 1 18 . 1 1 24 24 ALA H H 29 7.555 7.555 7.665 -0.110 17668 6616 1 18 . 1 1 25 25 LEU N N 30 115.899 115.899 120.283 -4.384 17668 6617 1 18 . 1 1 25 25 LEU HA H 30 3.984 3.984 3.944 0.040 17668 6618 1 18 . 1 1 25 25 LEU C C 30 178.658 178.658 179.175 -0.517 17668 6619 1 18 . 1 1 25 25 LEU CA C 30 57.221 57.221 58.121 -0.900 17668 6620 1 18 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.852 -0.604 17668 6621 1 18 . 1 1 25 25 LEU H H 30 7.976 7.976 8.568 -0.592 17668 6622 1 18 . 1 1 26 26 GLU N N 31 115.899 115.899 115.146 0.753 17668 6623 1 18 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.139 -0.401 17668 6624 1 18 . 1 1 26 26 GLU C C 31 177.793 177.793 177.515 0.278 17668 6625 1 18 . 1 1 26 26 GLU CA C 31 58.727 58.727 58.290 0.437 17668 6626 1 18 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.511 -0.270 17668 6627 1 18 . 1 1 26 26 GLU H H 31 8.116 8.116 7.878 0.238 17668 6628 1 18 . 1 1 27 27 ARG N N 32 114.258 114.258 117.281 -3.023 17668 6629 1 18 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.306 -0.159 17668 6630 1 18 . 1 1 27 27 ARG C C 32 176.757 176.757 176.390 0.367 17668 6631 1 18 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.816 0.434 17668 6632 1 18 . 1 1 27 27 ARG CB C 32 30.744 30.744 30.530 0.214 17668 6633 1 18 . 1 1 27 27 ARG H H 32 6.854 6.854 7.635 -0.781 17668 6634 1 18 . 1 1 28 28 LEU N N 33 123.008 123.008 119.579 3.429 17668 6635 1 18 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.158 0.044 17668 6636 1 18 . 1 1 28 28 LEU C C 33 176.412 176.412 176.334 0.078 17668 6637 1 18 . 1 1 28 28 LEU CA C 33 54.249 54.249 54.176 0.073 17668 6638 1 18 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.584 -0.845 17668 6639 1 18 . 1 1 28 28 LEU H H 33 7.501 7.501 7.450 0.051 17668 6640 1 18 . 1 1 29 29 LYS N N 34 127.383 127.383 119.506 7.877 17668 6641 1 18 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.310 -0.436 17668 6642 1 18 . 1 1 29 29 LYS C C 34 176.412 176.412 177.968 -1.556 17668 6643 1 18 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.758 1.484 17668 6644 1 18 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.575 -0.829 17668 6645 1 18 . 1 1 29 29 LYS H H 34 8.341 8.341 8.301 0.040 17668 6646 1 18 . 1 1 30 30 GLY N N 35 111.524 111.524 108.896 2.628 17668 6647 1 18 . 1 1 30 30 GLY C C 35 175.715 175.715 174.633 1.082 17668 6648 1 18 . 1 1 30 30 GLY CA C 35 45.488 45.488 46.319 -0.831 17668 6649 1 18 . 1 1 30 30 GLY H H 35 8.509 8.509 8.804 -0.295 17668 6650 1 18 . 1 1 31 31 VAL N N 36 122.461 122.461 118.820 3.641 17668 6651 1 18 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.190 -0.316 17668 6652 1 18 . 1 1 31 31 VAL C C 36 175.032 175.032 174.513 0.519 17668 6653 1 18 . 1 1 31 31 VAL CA C 36 63.757 63.757 61.908 1.849 17668 6654 1 18 . 1 1 31 31 VAL CB C 36 31.250 31.250 31.985 -0.735 17668 6655 1 18 . 1 1 31 31 VAL H H 36 7.892 7.892 7.755 0.137 17668 6656 1 18 . 1 1 32 32 ALA N N 37 131.758 131.758 129.669 2.089 17668 6657 1 18 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.536 -0.171 17668 6658 1 18 . 1 1 32 32 ALA C C 37 177.619 177.619 176.845 0.774 17668 6659 1 18 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.546 0.700 17668 6660 1 18 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.127 -0.405 17668 6661 1 18 . 1 1 32 32 ALA H H 37 9.042 9.042 8.862 0.180 17668 6662 1 18 . 1 1 33 33 GLU N N 38 114.258 114.258 115.437 -1.179 17668 6663 1 18 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.998 -0.497 17668 6664 1 18 . 1 1 33 33 GLU C C 38 173.651 173.651 174.364 -0.713 17668 6665 1 18 . 1 1 33 33 GLU CA C 38 55.577 55.577 55.675 -0.098 17668 6666 1 18 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.718 0.948 17668 6667 1 18 . 1 1 33 33 GLU H H 38 7.555 7.555 7.707 -0.152 17668 6668 1 18 . 1 1 34 34 ALA N N 39 125.742 125.742 124.336 1.406 17668 6669 1 18 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.194 -0.093 17668 6670 1 18 . 1 1 34 34 ALA C C 39 175.033 175.033 175.895 -0.862 17668 6671 1 18 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.595 -0.315 17668 6672 1 18 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.179 1.058 17668 6673 1 18 . 1 1 34 34 ALA H H 39 9.014 9.014 8.075 0.939 17668 6674 1 18 . 1 1 35 35 SER N N 40 113.711 113.711 114.986 -1.275 17668 6675 1 18 . 1 1 35 35 SER HA H 40 4.855 4.855 5.194 -0.339 17668 6676 1 18 . 1 1 35 35 SER C C 40 173.824 173.824 173.935 -0.111 17668 6677 1 18 . 1 1 35 35 SER CA C 40 56.254 56.254 57.655 -1.401 17668 6678 1 18 . 1 1 35 35 SER CB C 40 65.255 65.255 66.603 -1.348 17668 6679 1 18 . 1 1 35 35 SER H H 40 8.481 8.481 8.924 -0.443 17668 6680 1 18 . 1 1 36 36 VAL N N 41 129.570 129.570 121.869 7.701 17668 6681 1 18 . 1 1 36 36 VAL C C 41 175.204 175.204 175.875 -0.671 17668 6682 1 18 . 1 1 36 36 VAL CA C 41 60.265 60.265 61.066 -0.801 17668 6683 1 18 . 1 1 36 36 VAL CB C 41 33.743 33.743 31.856 1.887 17668 6684 1 18 . 1 1 36 36 VAL H H 41 10.164 10.164 9.519 0.645 17668 6685 1 18 . 1 1 37 37 THR N N 42 123.008 123.008 122.417 0.591 17668 6686 1 18 . 1 1 37 37 THR HA H 42 4.392 4.392 4.685 -0.293 17668 6687 1 18 . 1 1 37 37 THR C C 42 175.030 175.030 174.843 0.187 17668 6688 1 18 . 1 1 37 37 THR CA C 42 60.760 60.760 61.407 -0.647 17668 6689 1 18 . 1 1 37 37 THR CB C 42 69.255 69.255 69.331 -0.076 17668 6690 1 18 . 1 1 37 37 THR H H 42 8.453 8.453 8.539 -0.086 17668 6691 1 18 . 1 1 38 38 VAL N N 43 128.476 128.476 128.301 0.175 17668 6692 1 18 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.722 -0.420 17668 6693 1 18 . 1 1 38 38 VAL C C 43 176.067 176.067 177.698 -1.631 17668 6694 1 18 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.562 -2.294 17668 6695 1 18 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.970 0.257 17668 6696 1 18 . 1 1 38 38 VAL H H 43 8.789 8.789 8.882 -0.093 17668 6697 1 18 . 1 1 39 39 ALA N N 44 119.180 119.180 121.325 -2.145 17668 6698 1 18 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.168 -0.184 17668 6699 1 18 . 1 1 39 39 ALA C C 44 179.167 179.167 178.415 0.752 17668 6700 1 18 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.407 0.818 17668 6701 1 18 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.685 0.310 17668 6702 1 18 . 1 1 39 39 ALA H H 44 8.509 8.509 8.428 0.081 17668 6703 1 18 . 1 1 40 40 THR N N 45 135.586 135.586 107.374 28.212 17668 6704 1 18 . 1 1 40 40 THR HA H 45 4.338 4.338 4.374 -0.036 17668 6705 1 18 . 1 1 40 40 THR C C 45 176.237 176.237 175.570 0.667 17668 6706 1 18 . 1 1 40 40 THR CA C 45 60.254 60.254 62.105 -1.851 17668 6707 1 18 . 1 1 40 40 THR CB C 45 70.261 70.261 70.861 -0.599 17668 6708 1 18 . 1 1 40 40 THR H H 45 6.713 6.713 7.495 -0.782 17668 6709 1 18 . 1 1 41 41 GLY N N 46 110.977 110.977 112.369 -1.392 17668 6710 1 18 . 1 1 41 41 GLY C C 46 172.096 172.096 172.836 -0.740 17668 6711 1 18 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.448 0.777 17668 6712 1 18 . 1 1 41 41 GLY H H 46 7.835 7.835 7.786 0.049 17668 6713 1 18 . 1 1 42 42 ARG N N 47 118.086 118.086 120.110 -2.024 17668 6714 1 18 . 1 1 42 42 ARG C C 47 175.032 175.032 173.971 1.061 17668 6715 1 18 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.327 1.923 17668 6716 1 18 . 1 1 42 42 ARG CB C 47 31.739 31.739 35.333 -3.594 17668 6717 1 18 . 1 1 42 42 ARG H H 47 7.303 7.303 8.469 -1.166 17668 6718 1 18 . 1 1 43 43 LEU N N 48 129.023 129.023 119.246 9.777 17668 6719 1 18 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.058 -0.039 17668 6720 1 18 . 1 1 43 43 LEU C C 48 175.033 175.033 174.477 0.556 17668 6721 1 18 . 1 1 43 43 LEU CA C 48 53.250 53.250 54.386 -1.136 17668 6722 1 18 . 1 1 43 43 LEU CB C 48 45.081 45.081 47.237 -2.156 17668 6723 1 18 . 1 1 43 43 LEU H H 48 8.986 8.986 8.893 0.093 17668 6724 1 18 . 1 1 44 44 THR N N 49 123.008 123.008 119.808 3.200 17668 6725 1 18 . 1 1 44 44 THR HA H 49 4.964 4.964 5.292 -0.328 17668 6726 1 18 . 1 1 44 44 THR C C 49 173.475 173.475 172.616 0.859 17668 6727 1 18 . 1 1 44 44 THR CA C 49 61.752 61.752 61.892 -0.140 17668 6728 1 18 . 1 1 44 44 THR CB C 49 69.756 69.756 70.705 -0.949 17668 6729 1 18 . 1 1 44 44 THR H H 49 9.154 9.154 8.622 0.532 17668 6730 1 18 . 1 1 45 45 VAL N N 50 125.195 125.195 126.873 -1.678 17668 6731 1 18 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.936 0.246 17668 6732 1 18 . 1 1 45 45 VAL C C 50 172.614 172.614 173.534 -0.920 17668 6733 1 18 . 1 1 45 45 VAL CA C 50 58.762 58.762 59.725 -0.963 17668 6734 1 18 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.609 -1.157 17668 6735 1 18 . 1 1 45 45 VAL H H 50 9.071 9.071 9.361 -0.290 17668 6736 1 18 . 1 1 46 46 THR N N 51 124.648 124.648 124.566 0.082 17668 6737 1 18 . 1 1 46 46 THR HA H 51 5.782 5.782 5.085 0.697 17668 6738 1 18 . 1 1 46 46 THR C C 51 174.684 174.684 173.552 1.132 17668 6739 1 18 . 1 1 46 46 THR CA C 51 61.248 61.248 60.980 0.268 17668 6740 1 18 . 1 1 46 46 THR CB C 51 70.265 70.265 69.834 0.431 17668 6741 1 18 . 1 1 46 46 THR H H 51 8.930 8.930 8.945 -0.015 17668 6742 1 18 . 1 1 47 47 TYR N N 52 124.648 124.648 121.988 2.660 17668 6743 1 18 . 1 1 47 47 TYR HA H 52 5.291 5.291 4.923 0.368 17668 6744 1 18 . 1 1 47 47 TYR C C 52 171.408 171.408 172.848 -1.440 17668 6745 1 18 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.861 -0.616 17668 6746 1 18 . 1 1 47 47 TYR CB C 52 41.754 41.754 40.252 1.502 17668 6747 1 18 . 1 1 47 47 TYR H H 52 9.603 9.603 8.767 0.836 17668 6748 1 18 . 1 1 48 48 ASP N N 53 119.180 119.180 121.934 -2.754 17668 6749 1 18 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.358 -0.393 17668 6750 1 18 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.936 -0.927 17668 6751 1 18 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.989 -1.431 17668 6752 1 18 . 1 1 48 48 ASP H H 53 8.481 8.481 8.341 0.140 17668 6753 1 18 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.976 0.397 17668 6754 1 18 . 1 1 49 49 PRO C C 54 178.311 178.311 176.586 1.725 17668 6755 1 18 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.936 -0.673 17668 6756 1 18 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.825 0.419 17668 6757 1 18 . 1 1 50 50 LYS N N 55 116.992 116.992 118.501 -1.509 17668 6758 1 18 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.465 -0.345 17668 6759 1 18 . 1 1 50 50 LYS C C 55 177.802 177.802 178.319 -0.517 17668 6760 1 18 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.806 0.920 17668 6761 1 18 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.090 -1.225 17668 6762 1 18 . 1 1 50 50 LYS H H 55 8.284 8.284 7.942 0.342 17668 6763 1 18 . 1 1 51 51 GLN N N 56 115.352 115.352 118.425 -3.073 17668 6764 1 18 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.141 0.170 17668 6765 1 18 . 1 1 51 51 GLN C C 56 175.031 175.031 176.788 -1.757 17668 6766 1 18 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.052 -1.296 17668 6767 1 18 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.178 3.574 17668 6768 1 18 . 1 1 51 51 GLN H H 56 7.864 7.864 8.735 -0.871 17668 6769 1 18 . 1 1 52 52 VAL N N 57 120.273 120.273 110.642 9.631 17668 6770 1 18 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.489 -0.096 17668 6771 1 18 . 1 1 52 52 VAL C C 57 170.718 170.718 173.596 -2.878 17668 6772 1 18 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.664 0.108 17668 6773 1 18 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.391 -0.163 17668 6774 1 18 . 1 1 52 52 VAL H H 57 8.172 8.172 8.111 0.061 17668 6775 1 18 . 1 1 53 53 SER N N 58 116.992 116.992 113.638 3.354 17668 6776 1 18 . 1 1 53 53 SER C C 58 175.377 175.377 175.226 0.151 17668 6777 1 18 . 1 1 53 53 SER CA C 58 55.251 55.251 57.786 -2.535 17668 6778 1 18 . 1 1 53 53 SER CB C 58 66.750 66.750 65.956 0.794 17668 6779 1 18 . 1 1 53 53 SER H H 58 7.611 7.611 8.083 -0.472 17668 6780 1 18 . 1 1 54 54 GLU N N 59 120.820 120.820 121.489 -0.669 17668 6781 1 18 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.988 -0.630 17668 6782 1 18 . 1 1 54 54 GLU C C 59 178.308 178.308 177.978 0.330 17668 6783 1 18 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.951 0.792 17668 6784 1 18 . 1 1 54 54 GLU CB C 59 29.240 29.240 29.015 0.226 17668 6785 1 18 . 1 1 54 54 GLU H H 59 8.930 8.930 8.796 0.134 17668 6786 1 18 . 1 1 55 55 ILE N N 60 118.086 118.086 120.403 -2.317 17668 6787 1 18 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.745 -0.007 17668 6788 1 18 . 1 1 55 55 ILE C C 60 177.448 177.448 178.306 -0.858 17668 6789 1 18 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.042 -0.293 17668 6790 1 18 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.713 0.802 17668 6791 1 18 . 1 1 55 55 ILE H H 60 7.583 7.583 7.475 0.108 17668 6792 1 18 . 1 1 56 56 THR N N 61 119.727 119.727 113.571 6.156 17668 6793 1 18 . 1 1 56 56 THR HA H 61 3.766 3.766 4.201 -0.435 17668 6794 1 18 . 1 1 56 56 THR C C 61 177.104 177.104 175.604 1.500 17668 6795 1 18 . 1 1 56 56 THR CA C 61 66.264 66.264 66.612 -0.348 17668 6796 1 18 . 1 1 56 56 THR CB C 61 68.245 68.245 68.499 -0.254 17668 6797 1 18 . 1 1 56 56 THR H H 61 7.471 7.471 7.529 -0.058 17668 6798 1 18 . 1 1 57 57 ILE N N 62 121.367 121.367 118.664 2.703 17668 6799 1 18 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.998 -0.967 17668 6800 1 18 . 1 1 57 57 ILE C C 62 176.756 176.756 176.799 -0.043 17668 6801 1 18 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.559 3.201 17668 6802 1 18 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.144 0.107 17668 6803 1 18 . 1 1 57 57 ILE H H 62 7.259 7.259 7.273 -0.014 17668 6804 1 18 . 1 1 58 58 GLN N N 63 117.539 117.539 120.731 -3.192 17668 6805 1 18 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.890 -0.288 17668 6806 1 18 . 1 1 58 58 GLN C C 63 179.172 179.172 178.095 1.077 17668 6807 1 18 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.155 0.600 17668 6808 1 18 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.192 -0.458 17668 6809 1 18 . 1 1 58 58 GLN H H 63 7.976 7.976 8.546 -0.570 17668 6810 1 18 . 1 1 59 59 GLU N N 64 119.180 119.180 117.578 1.602 17668 6811 1 18 . 1 1 59 59 GLU HA H 64 3.874 3.874 3.986 -0.112 17668 6812 1 18 . 1 1 59 59 GLU C C 64 179.866 179.866 178.446 1.420 17668 6813 1 18 . 1 1 59 59 GLU CA C 64 59.259 59.259 58.877 0.382 17668 6814 1 18 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.517 0.183 17668 6815 1 18 . 1 1 59 59 GLU H H 64 8.622 8.622 8.277 0.345 17668 6816 1 18 . 1 1 60 60 ARG N N 65 119.727 119.727 118.603 1.124 17668 6817 1 18 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.317 -0.224 17668 6818 1 18 . 1 1 60 60 ARG C C 65 178.310 178.310 178.064 0.246 17668 6819 1 18 . 1 1 60 60 ARG CA C 65 57.256 57.256 57.530 -0.274 17668 6820 1 18 . 1 1 60 60 ARG CB C 65 28.748 28.748 30.296 -1.548 17668 6821 1 18 . 1 1 60 60 ARG H H 65 7.891 7.891 7.436 0.455 17668 6822 1 18 . 1 1 61 61 ILE N N 66 118.086 118.086 120.858 -2.772 17668 6823 1 18 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.749 -0.202 17668 6824 1 18 . 1 1 61 61 ILE C C 66 178.311 178.311 177.731 0.580 17668 6825 1 18 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.228 -0.482 17668 6826 1 18 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.923 -0.242 17668 6827 1 18 . 1 1 61 61 ILE H H 66 7.443 7.443 8.031 -0.588 17668 6828 1 18 . 1 1 62 62 ALA N N 67 121.914 121.914 121.360 0.554 17668 6829 1 18 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.511 0.018 17668 6830 1 18 . 1 1 62 62 ALA C C 67 182.626 182.626 178.837 3.789 17668 6831 1 18 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.321 -0.071 17668 6832 1 18 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.655 -0.920 17668 6833 1 18 . 1 1 62 62 ALA H H 67 8.116 8.116 8.367 -0.251 17668 6834 1 18 . 1 1 63 63 ALA N N 68 121.367 121.367 120.177 1.190 17668 6835 1 18 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.257 -0.245 17668 6836 1 18 . 1 1 63 63 ALA C C 68 179.690 179.690 178.887 0.803 17668 6837 1 18 . 1 1 63 63 ALA CA C 68 54.259 54.259 53.790 0.469 17668 6838 1 18 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.675 -0.454 17668 6839 1 18 . 1 1 63 63 ALA H H 68 7.948 7.948 7.313 0.635 17668 6840 1 18 . 1 1 64 64 LEU N N 69 116.445 116.445 117.672 -1.227 17668 6841 1 18 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.141 0.006 17668 6842 1 18 . 1 1 64 64 LEU C C 69 176.931 176.931 177.308 -0.377 17668 6843 1 18 . 1 1 64 64 LEU CA C 69 55.245 55.245 55.047 0.198 17668 6844 1 18 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.715 1.526 17668 6845 1 18 . 1 1 64 64 LEU H H 69 7.247 7.247 7.613 -0.366 17668 6846 1 18 . 1 1 65 65 GLY N N 70 103.867 103.867 104.856 -0.989 17668 6847 1 18 . 1 1 65 65 GLY C C 70 173.651 173.651 173.373 0.278 17668 6848 1 18 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.452 0.020 17668 6849 1 18 . 1 1 65 65 GLY H H 70 7.668 7.668 7.527 0.141 17668 6850 1 18 . 1 1 66 66 TYR N N 71 119.180 119.180 118.209 0.971 17668 6851 1 18 . 1 1 66 66 TYR C C 71 174.513 174.513 174.006 0.507 17668 6852 1 18 . 1 1 66 66 TYR CA C 71 57.020 57.020 55.740 1.280 17668 6853 1 18 . 1 1 66 66 TYR CB C 71 39.502 39.502 39.380 0.122 17668 6854 1 18 . 1 1 66 66 TYR H H 71 6.798 6.798 7.561 -0.763 17668 6855 1 18 . 1 1 67 67 THR N N 72 109.883 109.883 115.839 -5.956 17668 6856 1 18 . 1 1 67 67 THR C C 72 173.998 173.998 172.927 1.071 17668 6857 1 18 . 1 1 67 67 THR CA C 72 60.249 60.249 61.903 -1.654 17668 6858 1 18 . 1 1 67 67 THR CB C 72 71.254 71.254 71.342 -0.088 17668 6859 1 18 . 1 1 67 67 THR H H 72 8.144 8.144 8.299 -0.155 17668 6860 1 18 . 1 1 68 68 LEU N N 73 122.461 122.461 126.630 -4.169 17668 6861 1 18 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.806 0.240 17668 6862 1 18 . 1 1 68 68 LEU C C 73 174.168 174.168 175.210 -1.042 17668 6863 1 18 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.359 -0.107 17668 6864 1 18 . 1 1 68 68 LEU CB C 73 43.743 43.743 44.275 -0.532 17668 6865 1 18 . 1 1 68 68 LEU H H 73 8.397 8.397 9.041 -0.644 17668 6866 1 18 . 1 1 69 69 ALA N N 74 125.195 125.195 127.363 -2.168 17668 6867 1 18 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.746 -0.408 17668 6868 1 18 . 1 1 69 69 ALA C C 74 176.931 176.931 175.391 1.540 17668 6869 1 18 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.510 3.744 17668 6870 1 18 . 1 1 69 69 ALA CB C 74 18.225 18.225 21.813 -3.588 17668 6871 1 18 . 1 1 69 69 ALA H H 74 8.200 8.200 8.923 -0.723 17668 6872 1 18 . 1 1 70 70 GLU N N 75 120.820 120.820 123.887 -3.067 17668 6873 1 18 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.787 -0.313 17668 6874 1 18 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.088 2.370 17668 6875 1 18 . 1 1 70 70 GLU CB C 75 29.591 29.591 30.955 -1.364 17668 6876 1 18 . 1 1 70 70 GLU H H 75 8.397 8.397 8.757 -0.360 17668 6877 1 19 . 1 1 2 2 LEU N N 7 119.727 119.727 114.373 5.354 17668 6878 1 19 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.774 -0.436 17668 6879 1 19 . 1 1 2 2 LEU C C 7 176.410 176.410 175.047 1.363 17668 6880 1 19 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.569 -0.559 17668 6881 1 19 . 1 1 2 2 LEU CB C 7 43.226 43.226 45.435 -2.209 17668 6882 1 19 . 1 1 2 2 LEU H H 7 7.919 7.919 8.167 -0.248 17668 6883 1 19 . 1 1 3 3 LYS N N 8 123.008 123.008 120.157 2.851 17668 6884 1 19 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.663 -0.298 17668 6885 1 19 . 1 1 3 3 LYS C C 8 174.512 174.512 175.494 -0.982 17668 6886 1 19 . 1 1 3 3 LYS CA C 8 54.741 54.741 55.172 -0.431 17668 6887 1 19 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.533 0.190 17668 6888 1 19 . 1 1 3 3 LYS H H 8 8.650 8.650 8.121 0.529 17668 6889 1 19 . 1 1 4 4 THR N N 9 120.273 120.273 117.495 2.778 17668 6890 1 19 . 1 1 4 4 THR HA H 9 5.372 5.372 4.538 0.834 17668 6891 1 19 . 1 1 4 4 THR C C 9 174.170 174.170 174.386 -0.216 17668 6892 1 19 . 1 1 4 4 THR CA C 9 61.756 61.756 62.129 -0.373 17668 6893 1 19 . 1 1 4 4 THR CB C 9 70.757 70.757 69.547 1.210 17668 6894 1 19 . 1 1 4 4 THR H H 9 8.481 8.481 8.390 0.091 17668 6895 1 19 . 1 1 5 5 GLN N N 10 126.836 126.836 122.541 4.295 17668 6896 1 19 . 1 1 5 5 GLN C C 10 173.651 173.651 173.329 0.322 17668 6897 1 19 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.469 -1.233 17668 6898 1 19 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.068 2.416 17668 6899 1 19 . 1 1 5 5 GLN H H 10 9.295 9.295 8.433 0.862 17668 6900 1 19 . 1 1 6 6 GLN N N 11 121.367 121.367 124.748 -3.381 17668 6901 1 19 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.055 0.591 17668 6902 1 19 . 1 1 6 6 GLN C C 11 176.069 176.069 174.439 1.630 17668 6903 1 19 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.701 -0.941 17668 6904 1 19 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.051 0.186 17668 6905 1 19 . 1 1 6 6 GLN H H 11 8.425 8.425 8.561 -0.136 17668 6906 1 19 . 1 1 7 7 MET N N 12 120.273 120.273 126.252 -5.979 17668 6907 1 19 . 1 1 7 7 MET C C 12 173.824 173.824 173.814 0.010 17668 6908 1 19 . 1 1 7 7 MET CA C 12 54.598 54.598 54.666 -0.068 17668 6909 1 19 . 1 1 7 7 MET CB C 12 37.258 37.258 37.295 -0.037 17668 6910 1 19 . 1 1 7 7 MET H H 12 9.294 9.294 8.901 0.393 17668 6911 1 19 . 1 1 8 8 GLN N N 13 122.461 122.461 122.689 -0.228 17668 6912 1 19 . 1 1 8 8 GLN C C 13 174.863 174.863 174.373 0.490 17668 6913 1 19 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.665 0.088 17668 6914 1 19 . 1 1 8 8 GLN CB C 13 30.243 30.243 32.378 -2.135 17668 6915 1 19 . 1 1 8 8 GLN H H 13 8.790 8.790 8.924 -0.134 17668 6916 1 19 . 1 1 9 9 VAL N N 14 126.289 126.289 121.669 4.620 17668 6917 1 19 . 1 1 9 9 VAL C C 14 176.586 176.586 174.408 2.178 17668 6918 1 19 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.317 0.938 17668 6919 1 19 . 1 1 9 9 VAL CB C 14 33.467 33.467 34.285 -0.819 17668 6920 1 19 . 1 1 9 9 VAL H H 14 8.930 8.930 8.698 0.232 17668 6921 1 19 . 1 1 10 10 GLY N N 15 117.539 117.539 116.644 0.895 17668 6922 1 19 . 1 1 10 10 GLY C C 15 173.997 173.997 173.681 0.316 17668 6923 1 19 . 1 1 10 10 GLY CA C 15 44.245 44.245 45.693 -1.448 17668 6924 1 19 . 1 1 10 10 GLY H H 15 9.351 9.351 9.024 0.327 17668 6925 1 19 . 1 1 11 11 GLY N N 16 107.149 107.149 112.566 -5.417 17668 6926 1 19 . 1 1 11 11 GLY C C 16 176.067 176.067 174.168 1.899 17668 6927 1 19 . 1 1 11 11 GLY CA C 16 45.256 45.256 44.925 0.331 17668 6928 1 19 . 1 1 11 11 GLY H H 16 8.284 8.284 8.044 0.240 17668 6929 1 19 . 1 1 12 12 MET N N 17 118.633 118.633 124.077 -5.444 17668 6930 1 19 . 1 1 12 12 MET C C 17 177.102 177.102 174.125 2.977 17668 6931 1 19 . 1 1 12 12 MET CA C 17 57.740 57.740 56.214 1.526 17668 6932 1 19 . 1 1 12 12 MET CB C 17 34.243 34.243 32.868 1.375 17668 6933 1 19 . 1 1 12 12 MET H H 17 8.509 8.509 7.674 0.835 17668 6934 1 19 . 1 1 13 13 ARG N N 18 126.836 126.836 120.132 6.704 17668 6935 1 19 . 1 1 13 13 ARG C C 18 175.032 175.032 175.936 -0.904 17668 6936 1 19 . 1 1 13 13 ARG CA C 18 57.239 57.239 55.773 1.466 17668 6937 1 19 . 1 1 13 13 ARG CB C 18 32.744 32.744 31.230 1.514 17668 6938 1 19 . 1 1 13 13 ARG H H 18 10.782 10.782 8.332 2.450 17668 6939 1 19 . 1 1 14 14 CYS N N 19 114.805 114.805 117.600 -2.795 17668 6940 1 19 . 1 1 14 14 CYS CA C 19 56.217 56.217 61.676 -5.460 17668 6941 1 19 . 1 1 14 14 CYS CB C 19 30.413 30.413 27.354 3.059 17668 6942 1 19 . 1 1 14 14 CYS H H 19 8.425 8.425 8.769 -0.344 17668 6943 1 19 . 1 1 15 15 ALA CA C 20 51.257 51.257 52.103 -0.846 17668 6944 1 19 . 1 1 15 15 ALA CB C 20 19.247 19.247 20.897 -1.650 17668 6945 1 19 . 1 1 16 16 ALA N N 21 118.906 118.906 124.022 -5.116 17668 6946 1 19 . 1 1 16 16 ALA HA H 21 4.147 4.147 3.988 0.159 17668 6947 1 19 . 1 1 16 16 ALA C C 21 180.553 180.553 177.925 2.628 17668 6948 1 19 . 1 1 16 16 ALA CA C 21 54.756 54.756 52.787 1.969 17668 6949 1 19 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.298 -0.065 17668 6950 1 19 . 1 1 17 17 CYS N N 22 121.914 121.914 113.096 8.818 17668 6951 1 19 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.020 -0.199 17668 6952 1 19 . 1 1 17 17 CYS C C 22 177.966 177.966 175.978 1.988 17668 6953 1 19 . 1 1 17 17 CYS CA C 22 64.748 64.748 60.603 4.145 17668 6954 1 19 . 1 1 17 17 CYS CB C 22 29.245 29.245 26.796 2.449 17668 6955 1 19 . 1 1 17 17 CYS H H 22 7.640 7.640 8.631 -0.991 17668 6956 1 19 . 1 1 18 18 ALA N N 23 119.180 119.180 123.054 -3.874 17668 6957 1 19 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.906 -0.303 17668 6958 1 19 . 1 1 18 18 ALA C C 23 179.173 179.173 178.251 0.922 17668 6959 1 19 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.780 0.478 17668 6960 1 19 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.239 0.502 17668 6961 1 19 . 1 1 18 18 ALA H H 23 6.629 6.629 8.084 -1.455 17668 6962 1 19 . 1 1 19 19 SER N N 24 112.618 112.618 115.076 -2.458 17668 6963 1 19 . 1 1 19 19 SER HA H 24 4.147 4.147 4.047 0.100 17668 6964 1 19 . 1 1 19 19 SER C C 24 176.764 176.764 176.664 0.100 17668 6965 1 19 . 1 1 19 19 SER CA C 24 61.259 61.259 62.560 -1.302 17668 6966 1 19 . 1 1 19 19 SER CB C 24 62.754 62.754 62.694 0.060 17668 6967 1 19 . 1 1 19 19 SER H H 24 7.752 7.752 8.465 -0.713 17668 6968 1 19 . 1 1 20 20 SER N N 25 116.992 116.992 117.713 -0.721 17668 6969 1 19 . 1 1 20 20 SER HA H 25 3.521 3.521 4.256 -0.735 17668 6970 1 19 . 1 1 20 20 SER C C 25 177.448 177.448 175.817 1.631 17668 6971 1 19 . 1 1 20 20 SER CA C 25 61.870 61.870 60.964 0.906 17668 6972 1 19 . 1 1 20 20 SER CB C 25 62.751 62.751 63.113 -0.362 17668 6973 1 19 . 1 1 20 20 SER H H 25 7.989 7.989 7.805 0.184 17668 6974 1 19 . 1 1 21 21 ILE N N 26 122.461 122.461 123.357 -0.896 17668 6975 1 19 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.819 -0.489 17668 6976 1 19 . 1 1 21 21 ILE C C 26 176.930 176.930 177.041 -0.111 17668 6977 1 19 . 1 1 21 21 ILE CA C 26 66.255 66.255 63.958 2.297 17668 6978 1 19 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.198 0.039 17668 6979 1 19 . 1 1 21 21 ILE H H 26 7.583 7.583 7.784 -0.201 17668 6980 1 19 . 1 1 22 22 GLU N N 27 116.992 116.992 120.326 -3.334 17668 6981 1 19 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.977 -0.511 17668 6982 1 19 . 1 1 22 22 GLU C C 27 178.916 178.916 179.178 -0.262 17668 6983 1 19 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.805 0.948 17668 6984 1 19 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.708 -0.001 17668 6985 1 19 . 1 1 22 22 GLU H H 27 8.004 8.004 8.338 -0.334 17668 6986 1 19 . 1 1 23 23 ARG N N 28 114.805 114.805 117.416 -2.611 17668 6987 1 19 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.091 -0.135 17668 6988 1 19 . 1 1 23 23 ARG C C 28 179.517 179.517 177.498 2.019 17668 6989 1 19 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.457 0.295 17668 6990 1 19 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.192 0.554 17668 6991 1 19 . 1 1 23 23 ARG H H 28 8.256 8.256 8.148 0.108 17668 6992 1 19 . 1 1 24 24 ALA N N 29 118.633 118.633 120.595 -1.962 17668 6993 1 19 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.331 -0.374 17668 6994 1 19 . 1 1 24 24 ALA C C 29 181.073 181.073 179.341 1.732 17668 6995 1 19 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.758 0.991 17668 6996 1 19 . 1 1 24 24 ALA CB C 29 18.729 18.729 19.209 -0.479 17668 6997 1 19 . 1 1 24 24 ALA H H 29 7.555 7.555 7.346 0.209 17668 6998 1 19 . 1 1 25 25 LEU N N 30 115.899 115.899 121.281 -5.382 17668 6999 1 19 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.046 -0.062 17668 7000 1 19 . 1 1 25 25 LEU C C 30 178.658 178.658 178.217 0.441 17668 7001 1 19 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.121 0.100 17668 7002 1 19 . 1 1 25 25 LEU CB C 30 41.248 41.248 42.060 -0.812 17668 7003 1 19 . 1 1 25 25 LEU H H 30 7.976 7.976 8.168 -0.192 17668 7004 1 19 . 1 1 26 26 GLU N N 31 115.899 115.899 116.419 -0.520 17668 7005 1 19 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.175 -0.437 17668 7006 1 19 . 1 1 26 26 GLU C C 31 177.793 177.793 177.559 0.234 17668 7007 1 19 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.660 1.067 17668 7008 1 19 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.653 -0.412 17668 7009 1 19 . 1 1 26 26 GLU H H 31 8.116 8.116 8.063 0.053 17668 7010 1 19 . 1 1 27 27 ARG N N 32 114.258 114.258 117.102 -2.844 17668 7011 1 19 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.476 -0.329 17668 7012 1 19 . 1 1 27 27 ARG C C 32 176.757 176.757 176.971 -0.214 17668 7013 1 19 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.621 0.629 17668 7014 1 19 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.253 -0.509 17668 7015 1 19 . 1 1 27 27 ARG H H 32 6.854 6.854 8.001 -1.147 17668 7016 1 19 . 1 1 28 28 LEU N N 33 123.008 123.008 122.892 0.116 17668 7017 1 19 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.125 0.077 17668 7018 1 19 . 1 1 28 28 LEU C C 33 176.412 176.412 176.620 -0.208 17668 7019 1 19 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.169 -0.920 17668 7020 1 19 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.171 -0.432 17668 7021 1 19 . 1 1 28 28 LEU H H 33 7.501 7.501 7.515 -0.014 17668 7022 1 19 . 1 1 29 29 LYS N N 34 127.383 127.383 121.016 6.367 17668 7023 1 19 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.268 -0.394 17668 7024 1 19 . 1 1 29 29 LYS C C 34 176.412 176.412 177.966 -1.554 17668 7025 1 19 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.884 1.358 17668 7026 1 19 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.857 -1.111 17668 7027 1 19 . 1 1 29 29 LYS H H 34 8.341 8.341 8.189 0.152 17668 7028 1 19 . 1 1 30 30 GLY N N 35 111.524 111.524 110.886 0.638 17668 7029 1 19 . 1 1 30 30 GLY C C 35 175.715 175.715 174.563 1.152 17668 7030 1 19 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.986 -0.498 17668 7031 1 19 . 1 1 30 30 GLY H H 35 8.509 8.509 8.785 -0.276 17668 7032 1 19 . 1 1 31 31 VAL N N 36 122.461 122.461 120.786 1.675 17668 7033 1 19 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.057 -0.183 17668 7034 1 19 . 1 1 31 31 VAL C C 36 175.032 175.032 174.860 0.172 17668 7035 1 19 . 1 1 31 31 VAL CA C 36 63.757 63.757 63.001 0.756 17668 7036 1 19 . 1 1 31 31 VAL CB C 36 31.250 31.250 32.028 -0.778 17668 7037 1 19 . 1 1 31 31 VAL H H 36 7.892 7.892 7.780 0.112 17668 7038 1 19 . 1 1 32 32 ALA N N 37 131.758 131.758 130.941 0.817 17668 7039 1 19 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.599 -0.234 17668 7040 1 19 . 1 1 32 32 ALA C C 37 177.619 177.619 176.756 0.863 17668 7041 1 19 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.151 1.095 17668 7042 1 19 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.333 -0.611 17668 7043 1 19 . 1 1 32 32 ALA H H 37 9.042 9.042 8.910 0.132 17668 7044 1 19 . 1 1 33 33 GLU N N 38 114.258 114.258 117.685 -3.427 17668 7045 1 19 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.520 -0.019 17668 7046 1 19 . 1 1 33 33 GLU C C 38 173.651 173.651 173.913 -0.262 17668 7047 1 19 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.876 -1.298 17668 7048 1 19 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.489 1.177 17668 7049 1 19 . 1 1 33 33 GLU H H 38 7.555 7.555 7.858 -0.303 17668 7050 1 19 . 1 1 34 34 ALA N N 39 125.742 125.742 126.862 -1.120 17668 7051 1 19 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.130 -0.029 17668 7052 1 19 . 1 1 34 34 ALA C C 39 175.033 175.033 175.552 -0.519 17668 7053 1 19 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.618 -0.338 17668 7054 1 19 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.442 0.795 17668 7055 1 19 . 1 1 34 34 ALA H H 39 9.014 9.014 8.388 0.626 17668 7056 1 19 . 1 1 35 35 SER N N 40 113.711 113.711 115.867 -2.156 17668 7057 1 19 . 1 1 35 35 SER HA H 40 4.855 4.855 5.148 -0.293 17668 7058 1 19 . 1 1 35 35 SER C C 40 173.824 173.824 173.228 0.596 17668 7059 1 19 . 1 1 35 35 SER CA C 40 56.254 56.254 57.503 -1.249 17668 7060 1 19 . 1 1 35 35 SER CB C 40 65.255 65.255 65.942 -0.687 17668 7061 1 19 . 1 1 35 35 SER H H 40 8.481 8.481 8.863 -0.382 17668 7062 1 19 . 1 1 36 36 VAL N N 41 129.570 129.570 121.662 7.908 17668 7063 1 19 . 1 1 36 36 VAL C C 41 175.204 175.204 175.511 -0.307 17668 7064 1 19 . 1 1 36 36 VAL CA C 41 60.265 60.265 60.373 -0.108 17668 7065 1 19 . 1 1 36 36 VAL CB C 41 33.743 33.743 31.907 1.836 17668 7066 1 19 . 1 1 36 36 VAL H H 41 10.164 10.164 8.793 1.371 17668 7067 1 19 . 1 1 37 37 THR N N 42 123.008 123.008 122.415 0.593 17668 7068 1 19 . 1 1 37 37 THR HA H 42 4.392 4.392 4.671 -0.279 17668 7069 1 19 . 1 1 37 37 THR C C 42 175.030 175.030 174.730 0.300 17668 7070 1 19 . 1 1 37 37 THR CA C 42 60.760 60.760 61.161 -0.401 17668 7071 1 19 . 1 1 37 37 THR CB C 42 69.255 69.255 69.923 -0.668 17668 7072 1 19 . 1 1 37 37 THR H H 42 8.453 8.453 8.742 -0.289 17668 7073 1 19 . 1 1 38 38 VAL N N 43 128.476 128.476 126.897 1.579 17668 7074 1 19 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.652 -0.350 17668 7075 1 19 . 1 1 38 38 VAL C C 43 176.067 176.067 177.846 -1.779 17668 7076 1 19 . 1 1 38 38 VAL CA C 43 63.268 63.268 66.046 -2.778 17668 7077 1 19 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.729 0.498 17668 7078 1 19 . 1 1 38 38 VAL H H 43 8.789 8.789 8.795 -0.006 17668 7079 1 19 . 1 1 39 39 ALA N N 44 119.180 119.180 120.324 -1.144 17668 7080 1 19 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.289 -0.305 17668 7081 1 19 . 1 1 39 39 ALA C C 44 179.167 179.167 178.098 1.069 17668 7082 1 19 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.601 0.624 17668 7083 1 19 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.625 0.370 17668 7084 1 19 . 1 1 39 39 ALA H H 44 8.509 8.509 8.122 0.387 17668 7085 1 19 . 1 1 40 40 THR N N 45 135.586 135.586 108.073 27.513 17668 7086 1 19 . 1 1 40 40 THR HA H 45 4.338 4.338 4.350 -0.012 17668 7087 1 19 . 1 1 40 40 THR C C 45 176.237 176.237 175.334 0.903 17668 7088 1 19 . 1 1 40 40 THR CA C 45 60.254 60.254 61.064 -0.810 17668 7089 1 19 . 1 1 40 40 THR CB C 45 70.261 70.261 70.147 0.115 17668 7090 1 19 . 1 1 40 40 THR H H 45 6.713 6.713 7.426 -0.713 17668 7091 1 19 . 1 1 41 41 GLY N N 46 110.977 110.977 110.975 0.002 17668 7092 1 19 . 1 1 41 41 GLY C C 46 172.096 172.096 173.386 -1.290 17668 7093 1 19 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.906 0.319 17668 7094 1 19 . 1 1 41 41 GLY H H 46 7.835 7.835 7.940 -0.105 17668 7095 1 19 . 1 1 42 42 ARG N N 47 118.086 118.086 116.106 1.980 17668 7096 1 19 . 1 1 42 42 ARG C C 47 175.032 175.032 173.725 1.307 17668 7097 1 19 . 1 1 42 42 ARG CA C 47 56.250 56.250 53.817 2.433 17668 7098 1 19 . 1 1 42 42 ARG CB C 47 31.739 31.739 32.968 -1.229 17668 7099 1 19 . 1 1 42 42 ARG H H 47 7.303 7.303 7.884 -0.581 17668 7100 1 19 . 1 1 43 43 LEU N N 48 129.023 129.023 120.103 8.920 17668 7101 1 19 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.336 -0.317 17668 7102 1 19 . 1 1 43 43 LEU C C 48 175.033 175.033 176.308 -1.275 17668 7103 1 19 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.533 -0.283 17668 7104 1 19 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.410 -1.329 17668 7105 1 19 . 1 1 43 43 LEU H H 48 8.986 8.986 8.978 0.008 17668 7106 1 19 . 1 1 44 44 THR N N 49 123.008 123.008 117.735 5.273 17668 7107 1 19 . 1 1 44 44 THR HA H 49 4.964 4.964 5.303 -0.339 17668 7108 1 19 . 1 1 44 44 THR C C 49 173.475 173.475 172.851 0.624 17668 7109 1 19 . 1 1 44 44 THR CA C 49 61.752 61.752 61.896 -0.144 17668 7110 1 19 . 1 1 44 44 THR CB C 49 69.756 69.756 71.025 -1.269 17668 7111 1 19 . 1 1 44 44 THR H H 49 9.154 9.154 8.400 0.754 17668 7112 1 19 . 1 1 45 45 VAL N N 50 125.195 125.195 125.808 -0.613 17668 7113 1 19 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.812 0.370 17668 7114 1 19 . 1 1 45 45 VAL C C 50 172.614 172.614 173.305 -0.691 17668 7115 1 19 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.546 -1.784 17668 7116 1 19 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.478 -0.027 17668 7117 1 19 . 1 1 45 45 VAL H H 50 9.071 9.071 9.303 -0.232 17668 7118 1 19 . 1 1 46 46 THR N N 51 124.648 124.648 124.848 -0.200 17668 7119 1 19 . 1 1 46 46 THR HA H 51 5.782 5.782 5.239 0.543 17668 7120 1 19 . 1 1 46 46 THR C C 51 174.684 174.684 173.537 1.147 17668 7121 1 19 . 1 1 46 46 THR CA C 51 61.248 61.248 61.071 0.177 17668 7122 1 19 . 1 1 46 46 THR CB C 51 70.265 70.265 69.727 0.538 17668 7123 1 19 . 1 1 46 46 THR H H 51 8.930 8.930 9.005 -0.075 17668 7124 1 19 . 1 1 47 47 TYR N N 52 124.648 124.648 123.271 1.377 17668 7125 1 19 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.238 0.053 17668 7126 1 19 . 1 1 47 47 TYR C C 52 171.408 171.408 173.285 -1.877 17668 7127 1 19 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.488 -0.243 17668 7128 1 19 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.461 0.293 17668 7129 1 19 . 1 1 47 47 TYR H H 52 9.603 9.603 8.327 1.276 17668 7130 1 19 . 1 1 48 48 ASP N N 53 119.180 119.180 120.413 -1.233 17668 7131 1 19 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.019 -0.054 17668 7132 1 19 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.953 -0.944 17668 7133 1 19 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.069 -0.511 17668 7134 1 19 . 1 1 48 48 ASP H H 53 8.481 8.481 8.221 0.260 17668 7135 1 19 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.630 0.743 17668 7136 1 19 . 1 1 49 49 PRO C C 54 178.311 178.311 176.346 1.965 17668 7137 1 19 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.786 -0.523 17668 7138 1 19 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.750 0.493 17668 7139 1 19 . 1 1 50 50 LYS N N 55 116.992 116.992 118.079 -1.087 17668 7140 1 19 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.462 -0.342 17668 7141 1 19 . 1 1 50 50 LYS C C 55 177.802 177.802 178.115 -0.313 17668 7142 1 19 . 1 1 50 50 LYS CA C 55 57.726 57.726 57.016 0.710 17668 7143 1 19 . 1 1 50 50 LYS CB C 55 31.865 31.865 34.005 -2.140 17668 7144 1 19 . 1 1 50 50 LYS H H 55 8.284 8.284 8.046 0.238 17668 7145 1 19 . 1 1 51 51 GLN N N 56 115.352 115.352 118.603 -3.251 17668 7146 1 19 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.222 0.089 17668 7147 1 19 . 1 1 51 51 GLN C C 56 175.031 175.031 176.474 -1.443 17668 7148 1 19 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.069 -1.312 17668 7149 1 19 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.026 3.726 17668 7150 1 19 . 1 1 51 51 GLN H H 56 7.864 7.864 8.847 -0.983 17668 7151 1 19 . 1 1 52 52 VAL N N 57 120.273 120.273 111.466 8.807 17668 7152 1 19 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.471 -0.078 17668 7153 1 19 . 1 1 52 52 VAL C C 57 170.718 170.718 173.842 -3.124 17668 7154 1 19 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.967 -0.195 17668 7155 1 19 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.749 -0.521 17668 7156 1 19 . 1 1 52 52 VAL H H 57 8.172 8.172 7.414 0.758 17668 7157 1 19 . 1 1 53 53 SER N N 58 116.992 116.992 114.001 2.991 17668 7158 1 19 . 1 1 53 53 SER C C 58 175.377 175.377 175.730 -0.353 17668 7159 1 19 . 1 1 53 53 SER CA C 58 55.251 55.251 57.104 -1.853 17668 7160 1 19 . 1 1 53 53 SER CB C 58 66.750 66.750 66.043 0.707 17668 7161 1 19 . 1 1 53 53 SER H H 58 7.611 7.611 8.159 -0.548 17668 7162 1 19 . 1 1 54 54 GLU N N 59 120.820 120.820 121.199 -0.379 17668 7163 1 19 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.863 -0.505 17668 7164 1 19 . 1 1 54 54 GLU C C 59 178.308 178.308 178.313 -0.005 17668 7165 1 19 . 1 1 54 54 GLU CA C 59 59.743 59.743 59.352 0.391 17668 7166 1 19 . 1 1 54 54 GLU CB C 59 29.240 29.240 29.094 0.146 17668 7167 1 19 . 1 1 54 54 GLU H H 59 8.930 8.930 8.834 0.096 17668 7168 1 19 . 1 1 55 55 ILE N N 60 118.086 118.086 119.904 -1.818 17668 7169 1 19 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.666 0.072 17668 7170 1 19 . 1 1 55 55 ILE C C 60 177.448 177.448 177.740 -0.292 17668 7171 1 19 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.031 -0.282 17668 7172 1 19 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.854 0.661 17668 7173 1 19 . 1 1 55 55 ILE H H 60 7.583 7.583 7.656 -0.073 17668 7174 1 19 . 1 1 56 56 THR N N 61 119.727 119.727 115.118 4.609 17668 7175 1 19 . 1 1 56 56 THR HA H 61 3.766 3.766 3.934 -0.168 17668 7176 1 19 . 1 1 56 56 THR C C 61 177.104 177.104 176.836 0.268 17668 7177 1 19 . 1 1 56 56 THR CA C 61 66.264 66.264 66.614 -0.350 17668 7178 1 19 . 1 1 56 56 THR CB C 61 68.245 68.245 68.512 -0.267 17668 7179 1 19 . 1 1 56 56 THR H H 61 7.471 7.471 7.563 -0.092 17668 7180 1 19 . 1 1 57 57 ILE N N 62 121.367 121.367 121.333 0.034 17668 7181 1 19 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.902 -0.871 17668 7182 1 19 . 1 1 57 57 ILE C C 62 176.756 176.756 176.475 0.281 17668 7183 1 19 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.550 3.210 17668 7184 1 19 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.783 0.468 17668 7185 1 19 . 1 1 57 57 ILE H H 62 7.259 7.259 7.299 -0.040 17668 7186 1 19 . 1 1 58 58 GLN N N 63 117.539 117.539 121.704 -4.165 17668 7187 1 19 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.784 -0.182 17668 7188 1 19 . 1 1 58 58 GLN C C 63 179.172 179.172 178.181 0.991 17668 7189 1 19 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.848 -0.093 17668 7190 1 19 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.640 -0.906 17668 7191 1 19 . 1 1 58 58 GLN H H 63 7.976 7.976 8.780 -0.804 17668 7192 1 19 . 1 1 59 59 GLU N N 64 119.180 119.180 118.027 1.153 17668 7193 1 19 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.051 -0.177 17668 7194 1 19 . 1 1 59 59 GLU C C 64 179.866 179.866 179.148 0.718 17668 7195 1 19 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.392 -0.133 17668 7196 1 19 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.170 0.530 17668 7197 1 19 . 1 1 59 59 GLU H H 64 8.622 8.622 8.369 0.253 17668 7198 1 19 . 1 1 60 60 ARG N N 65 119.727 119.727 120.283 -0.556 17668 7199 1 19 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.166 -0.073 17668 7200 1 19 . 1 1 60 60 ARG C C 65 178.310 178.310 178.836 -0.526 17668 7201 1 19 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.212 -0.956 17668 7202 1 19 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.511 -0.763 17668 7203 1 19 . 1 1 60 60 ARG H H 65 7.891 7.891 7.407 0.484 17668 7204 1 19 . 1 1 61 61 ILE N N 66 118.086 118.086 120.146 -2.060 17668 7205 1 19 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.719 -0.172 17668 7206 1 19 . 1 1 61 61 ILE C C 66 178.311 178.311 177.627 0.684 17668 7207 1 19 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.174 -0.429 17668 7208 1 19 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.900 -0.219 17668 7209 1 19 . 1 1 61 61 ILE H H 66 7.443 7.443 8.249 -0.806 17668 7210 1 19 . 1 1 62 62 ALA N N 67 121.914 121.914 122.245 -0.331 17668 7211 1 19 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.439 0.090 17668 7212 1 19 . 1 1 62 62 ALA C C 67 182.626 182.626 180.196 2.430 17668 7213 1 19 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.784 -0.534 17668 7214 1 19 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.347 -0.612 17668 7215 1 19 . 1 1 62 62 ALA H H 67 8.116 8.116 8.497 -0.381 17668 7216 1 19 . 1 1 63 63 ALA N N 68 121.367 121.367 121.155 0.212 17668 7217 1 19 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.180 -0.168 17668 7218 1 19 . 1 1 63 63 ALA C C 68 179.690 179.690 179.164 0.526 17668 7219 1 19 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.455 -0.196 17668 7220 1 19 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.570 -0.349 17668 7221 1 19 . 1 1 63 63 ALA H H 68 7.948 7.948 7.686 0.262 17668 7222 1 19 . 1 1 64 64 LEU N N 69 116.445 116.445 116.644 -0.199 17668 7223 1 19 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.319 -0.172 17668 7224 1 19 . 1 1 64 64 LEU C C 69 176.931 176.931 177.140 -0.209 17668 7225 1 19 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.878 0.367 17668 7226 1 19 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.111 2.130 17668 7227 1 19 . 1 1 64 64 LEU H H 69 7.247 7.247 7.532 -0.285 17668 7228 1 19 . 1 1 65 65 GLY N N 70 103.867 103.867 105.563 -1.696 17668 7229 1 19 . 1 1 65 65 GLY C C 70 173.651 173.651 173.487 0.164 17668 7230 1 19 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.750 -0.278 17668 7231 1 19 . 1 1 65 65 GLY H H 70 7.668 7.668 7.865 -0.197 17668 7232 1 19 . 1 1 66 66 TYR N N 71 119.180 119.180 117.706 1.474 17668 7233 1 19 . 1 1 66 66 TYR C C 71 174.513 174.513 174.667 -0.154 17668 7234 1 19 . 1 1 66 66 TYR CA C 71 57.020 57.020 55.538 1.482 17668 7235 1 19 . 1 1 66 66 TYR CB C 71 39.502 39.502 41.392 -1.890 17668 7236 1 19 . 1 1 66 66 TYR H H 71 6.798 6.798 7.779 -0.981 17668 7237 1 19 . 1 1 67 67 THR N N 72 109.883 109.883 113.927 -4.044 17668 7238 1 19 . 1 1 67 67 THR C C 72 173.998 173.998 173.651 0.347 17668 7239 1 19 . 1 1 67 67 THR CA C 72 60.249 60.249 61.253 -1.004 17668 7240 1 19 . 1 1 67 67 THR CB C 72 71.254 71.254 70.753 0.501 17668 7241 1 19 . 1 1 67 67 THR H H 72 8.144 8.144 8.490 -0.346 17668 7242 1 19 . 1 1 68 68 LEU N N 73 122.461 122.461 128.080 -5.619 17668 7243 1 19 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.891 0.155 17668 7244 1 19 . 1 1 68 68 LEU C C 73 174.168 174.168 175.966 -1.798 17668 7245 1 19 . 1 1 68 68 LEU CA C 73 53.252 53.252 54.892 -1.640 17668 7246 1 19 . 1 1 68 68 LEU CB C 73 43.743 43.743 43.362 0.381 17668 7247 1 19 . 1 1 68 68 LEU H H 73 8.397 8.397 8.845 -0.448 17668 7248 1 19 . 1 1 69 69 ALA N N 74 125.195 125.195 129.026 -3.831 17668 7249 1 19 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.620 -0.282 17668 7250 1 19 . 1 1 69 69 ALA C C 74 176.931 176.931 174.729 2.202 17668 7251 1 19 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.316 3.938 17668 7252 1 19 . 1 1 69 69 ALA CB C 74 18.225 18.225 22.131 -3.906 17668 7253 1 19 . 1 1 69 69 ALA H H 74 8.200 8.200 8.803 -0.603 17668 7254 1 19 . 1 1 70 70 GLU N N 75 120.820 120.820 122.848 -2.028 17668 7255 1 19 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.716 -0.242 17668 7256 1 19 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.299 2.159 17668 7257 1 19 . 1 1 70 70 GLU CB C 75 29.591 29.591 32.786 -3.195 17668 7258 1 19 . 1 1 70 70 GLU H H 75 8.397 8.397 8.586 -0.189 17668 7259 1 20 . 1 1 2 2 LEU N N 7 119.727 119.727 121.738 -2.011 17668 7260 1 20 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.652 -0.314 17668 7261 1 20 . 1 1 2 2 LEU C C 7 176.410 176.410 175.590 0.820 17668 7262 1 20 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.272 -0.262 17668 7263 1 20 . 1 1 2 2 LEU CB C 7 43.226 43.226 43.014 0.212 17668 7264 1 20 . 1 1 2 2 LEU H H 7 7.919 7.919 7.891 0.028 17668 7265 1 20 . 1 1 3 3 LYS N N 8 123.008 123.008 120.057 2.951 17668 7266 1 20 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.472 -0.107 17668 7267 1 20 . 1 1 3 3 LYS C C 8 174.512 174.512 175.137 -0.625 17668 7268 1 20 . 1 1 3 3 LYS CA C 8 54.741 54.741 55.839 -1.098 17668 7269 1 20 . 1 1 3 3 LYS CB C 8 35.723 35.723 34.337 1.386 17668 7270 1 20 . 1 1 3 3 LYS H H 8 8.650 8.650 7.924 0.726 17668 7271 1 20 . 1 1 4 4 THR N N 9 120.273 120.273 116.513 3.760 17668 7272 1 20 . 1 1 4 4 THR HA H 9 5.372 5.372 5.217 0.155 17668 7273 1 20 . 1 1 4 4 THR C C 9 174.170 174.170 173.662 0.508 17668 7274 1 20 . 1 1 4 4 THR CA C 9 61.756 61.756 60.963 0.793 17668 7275 1 20 . 1 1 4 4 THR CB C 9 70.757 70.757 71.057 -0.300 17668 7276 1 20 . 1 1 4 4 THR H H 9 8.481 8.481 8.105 0.376 17668 7277 1 20 . 1 1 5 5 GLN N N 10 126.836 126.836 124.171 2.665 17668 7278 1 20 . 1 1 5 5 GLN C C 10 173.651 173.651 173.469 0.182 17668 7279 1 20 . 1 1 5 5 GLN CA C 10 54.236 54.236 54.356 -0.120 17668 7280 1 20 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.922 1.562 17668 7281 1 20 . 1 1 5 5 GLN H H 10 9.295 9.295 9.006 0.289 17668 7282 1 20 . 1 1 6 6 GLN N N 11 121.367 121.367 122.344 -0.977 17668 7283 1 20 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.444 0.202 17668 7284 1 20 . 1 1 6 6 GLN C C 11 176.069 176.069 175.294 0.775 17668 7285 1 20 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.467 -0.707 17668 7286 1 20 . 1 1 6 6 GLN CB C 11 31.237 31.237 32.373 -1.135 17668 7287 1 20 . 1 1 6 6 GLN H H 11 8.425 8.425 8.654 -0.229 17668 7288 1 20 . 1 1 7 7 MET N N 12 120.273 120.273 117.351 2.922 17668 7289 1 20 . 1 1 7 7 MET C C 12 173.824 173.824 173.971 -0.147 17668 7290 1 20 . 1 1 7 7 MET CA C 12 54.598 54.598 55.136 -0.538 17668 7291 1 20 . 1 1 7 7 MET CB C 12 37.258 37.258 35.995 1.263 17668 7292 1 20 . 1 1 7 7 MET H H 12 9.294 9.294 8.345 0.949 17668 7293 1 20 . 1 1 8 8 GLN N N 13 122.461 122.461 120.598 1.863 17668 7294 1 20 . 1 1 8 8 GLN C C 13 174.863 174.863 174.606 0.257 17668 7295 1 20 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.904 -1.151 17668 7296 1 20 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.394 -0.151 17668 7297 1 20 . 1 1 8 8 GLN H H 13 8.790 8.790 8.508 0.282 17668 7298 1 20 . 1 1 9 9 VAL N N 14 126.289 126.289 121.559 4.730 17668 7299 1 20 . 1 1 9 9 VAL C C 14 176.586 176.586 175.970 0.616 17668 7300 1 20 . 1 1 9 9 VAL CA C 14 61.255 61.255 61.320 -0.065 17668 7301 1 20 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.301 -1.834 17668 7302 1 20 . 1 1 9 9 VAL H H 14 8.930 8.930 8.487 0.443 17668 7303 1 20 . 1 1 10 10 GLY N N 15 117.539 117.539 114.239 3.300 17668 7304 1 20 . 1 1 10 10 GLY C C 15 173.997 173.997 174.280 -0.283 17668 7305 1 20 . 1 1 10 10 GLY CA C 15 44.245 44.245 47.157 -2.912 17668 7306 1 20 . 1 1 10 10 GLY H H 15 9.351 9.351 8.791 0.560 17668 7307 1 20 . 1 1 11 11 GLY N N 16 107.149 107.149 105.907 1.242 17668 7308 1 20 . 1 1 11 11 GLY C C 16 176.067 176.067 174.020 2.047 17668 7309 1 20 . 1 1 11 11 GLY CA C 16 45.256 45.256 44.750 0.506 17668 7310 1 20 . 1 1 11 11 GLY H H 16 8.284 8.284 7.871 0.413 17668 7311 1 20 . 1 1 12 12 MET N N 17 118.633 118.633 115.677 2.956 17668 7312 1 20 . 1 1 12 12 MET C C 17 177.102 177.102 175.152 1.950 17668 7313 1 20 . 1 1 12 12 MET CA C 17 57.740 57.740 54.050 3.690 17668 7314 1 20 . 1 1 12 12 MET CB C 17 34.243 34.243 33.287 0.956 17668 7315 1 20 . 1 1 12 12 MET H H 17 8.509 8.509 7.241 1.268 17668 7316 1 20 . 1 1 13 13 ARG N N 18 126.836 126.836 114.621 12.215 17668 7317 1 20 . 1 1 13 13 ARG C C 18 175.032 175.032 177.302 -2.270 17668 7318 1 20 . 1 1 13 13 ARG CA C 18 57.239 57.239 57.094 0.145 17668 7319 1 20 . 1 1 13 13 ARG CB C 18 32.744 32.744 30.048 2.696 17668 7320 1 20 . 1 1 13 13 ARG H H 18 10.782 10.782 7.420 3.362 17668 7321 1 20 . 1 1 14 14 CYS N N 19 114.805 114.805 119.264 -4.459 17668 7322 1 20 . 1 1 14 14 CYS CA C 19 56.217 56.217 60.735 -4.518 17668 7323 1 20 . 1 1 14 14 CYS CB C 19 30.413 30.413 28.164 2.249 17668 7324 1 20 . 1 1 14 14 CYS H H 19 8.425 8.425 8.077 0.348 17668 7325 1 20 . 1 1 15 15 ALA CA C 20 51.257 51.257 52.095 -0.838 17668 7326 1 20 . 1 1 15 15 ALA CB C 20 19.247 19.247 19.662 -0.415 17668 7327 1 20 . 1 1 16 16 ALA N N 21 118.906 118.906 122.132 -3.226 17668 7328 1 20 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.240 -0.093 17668 7329 1 20 . 1 1 16 16 ALA C C 21 180.553 180.553 177.747 2.806 17668 7330 1 20 . 1 1 16 16 ALA CA C 21 54.756 54.756 52.623 2.133 17668 7331 1 20 . 1 1 16 16 ALA CB C 21 18.233 18.233 17.169 1.064 17668 7332 1 20 . 1 1 17 17 CYS N N 22 121.914 121.914 118.274 3.640 17668 7333 1 20 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.231 -0.410 17668 7334 1 20 . 1 1 17 17 CYS C C 22 177.966 177.966 175.634 2.332 17668 7335 1 20 . 1 1 17 17 CYS CA C 22 64.748 64.748 59.729 5.019 17668 7336 1 20 . 1 1 17 17 CYS CB C 22 29.245 29.245 26.329 2.916 17668 7337 1 20 . 1 1 17 17 CYS H H 22 7.640 7.640 7.989 -0.349 17668 7338 1 20 . 1 1 18 18 ALA N N 23 119.180 119.180 123.464 -4.284 17668 7339 1 20 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.995 -0.392 17668 7340 1 20 . 1 1 18 18 ALA C C 23 179.173 179.173 179.210 -0.037 17668 7341 1 20 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.909 0.349 17668 7342 1 20 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.305 0.436 17668 7343 1 20 . 1 1 18 18 ALA H H 23 6.629 6.629 8.427 -1.798 17668 7344 1 20 . 1 1 19 19 SER N N 24 112.618 112.618 114.290 -1.672 17668 7345 1 20 . 1 1 19 19 SER HA H 24 4.147 4.147 4.102 0.045 17668 7346 1 20 . 1 1 19 19 SER C C 24 176.764 176.764 176.323 0.441 17668 7347 1 20 . 1 1 19 19 SER CA C 24 61.259 61.259 61.521 -0.262 17668 7348 1 20 . 1 1 19 19 SER CB C 24 62.754 62.754 62.940 -0.186 17668 7349 1 20 . 1 1 19 19 SER H H 24 7.752 7.752 7.926 -0.174 17668 7350 1 20 . 1 1 20 20 SER N N 25 116.992 116.992 116.762 0.230 17668 7351 1 20 . 1 1 20 20 SER HA H 25 3.521 3.521 4.382 -0.861 17668 7352 1 20 . 1 1 20 20 SER C C 25 177.448 177.448 175.081 2.367 17668 7353 1 20 . 1 1 20 20 SER CA C 25 61.870 61.870 61.312 0.557 17668 7354 1 20 . 1 1 20 20 SER CB C 25 62.751 62.751 62.529 0.222 17668 7355 1 20 . 1 1 20 20 SER H H 25 7.989 7.989 7.896 0.093 17668 7356 1 20 . 1 1 21 21 ILE N N 26 122.461 122.461 122.967 -0.506 17668 7357 1 20 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.999 -0.669 17668 7358 1 20 . 1 1 21 21 ILE C C 26 176.930 176.930 177.546 -0.616 17668 7359 1 20 . 1 1 21 21 ILE CA C 26 66.255 66.255 62.914 3.341 17668 7360 1 20 . 1 1 21 21 ILE CB C 26 38.237 38.237 37.321 0.916 17668 7361 1 20 . 1 1 21 21 ILE H H 26 7.583 7.583 7.077 0.506 17668 7362 1 20 . 1 1 22 22 GLU N N 27 116.992 116.992 120.821 -3.829 17668 7363 1 20 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.929 -0.463 17668 7364 1 20 . 1 1 22 22 GLU C C 27 178.916 178.916 179.017 -0.101 17668 7365 1 20 . 1 1 22 22 GLU CA C 27 60.753 60.753 60.018 0.735 17668 7366 1 20 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.671 0.036 17668 7367 1 20 . 1 1 22 22 GLU H H 27 8.004 8.004 8.452 -0.448 17668 7368 1 20 . 1 1 23 23 ARG N N 28 114.805 114.805 119.356 -4.551 17668 7369 1 20 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.068 -0.112 17668 7370 1 20 . 1 1 23 23 ARG C C 28 179.517 179.517 177.705 1.812 17668 7371 1 20 . 1 1 23 23 ARG CA C 28 58.752 58.752 59.300 -0.548 17668 7372 1 20 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.291 0.455 17668 7373 1 20 . 1 1 23 23 ARG H H 28 8.256 8.256 8.501 -0.245 17668 7374 1 20 . 1 1 24 24 ALA N N 29 118.633 118.633 121.831 -3.198 17668 7375 1 20 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.336 -0.379 17668 7376 1 20 . 1 1 24 24 ALA C C 29 181.073 181.073 179.430 1.643 17668 7377 1 20 . 1 1 24 24 ALA CA C 29 54.749 54.749 54.373 0.376 17668 7378 1 20 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.614 0.115 17668 7379 1 20 . 1 1 24 24 ALA H H 29 7.555 7.555 7.580 -0.025 17668 7380 1 20 . 1 1 25 25 LEU N N 30 115.899 115.899 120.667 -4.768 17668 7381 1 20 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.095 -0.111 17668 7382 1 20 . 1 1 25 25 LEU C C 30 178.658 178.658 178.496 0.162 17668 7383 1 20 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.756 -0.535 17668 7384 1 20 . 1 1 25 25 LEU CB C 30 41.248 41.248 42.180 -0.932 17668 7385 1 20 . 1 1 25 25 LEU H H 30 7.976 7.976 8.543 -0.567 17668 7386 1 20 . 1 1 26 26 GLU N N 31 115.899 115.899 115.032 0.867 17668 7387 1 20 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.183 -0.445 17668 7388 1 20 . 1 1 26 26 GLU C C 31 177.793 177.793 177.520 0.273 17668 7389 1 20 . 1 1 26 26 GLU CA C 31 58.727 58.727 58.042 0.685 17668 7390 1 20 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.939 -0.698 17668 7391 1 20 . 1 1 26 26 GLU H H 31 8.116 8.116 8.114 0.002 17668 7392 1 20 . 1 1 27 27 ARG N N 32 114.258 114.258 117.849 -3.591 17668 7393 1 20 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.455 -0.308 17668 7394 1 20 . 1 1 27 27 ARG C C 32 176.757 176.757 176.921 -0.164 17668 7395 1 20 . 1 1 27 27 ARG CA C 32 56.250 56.250 56.590 -0.341 17668 7396 1 20 . 1 1 27 27 ARG CB C 32 30.744 30.744 32.124 -1.381 17668 7397 1 20 . 1 1 27 27 ARG H H 32 6.854 6.854 7.758 -0.904 17668 7398 1 20 . 1 1 28 28 LEU N N 33 123.008 123.008 120.079 2.929 17668 7399 1 20 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.419 -0.217 17668 7400 1 20 . 1 1 28 28 LEU C C 33 176.412 176.412 176.461 -0.049 17668 7401 1 20 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.295 -1.046 17668 7402 1 20 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.104 -0.365 17668 7403 1 20 . 1 1 28 28 LEU H H 33 7.501 7.501 7.760 -0.259 17668 7404 1 20 . 1 1 29 29 LYS N N 34 127.383 127.383 121.924 5.459 17668 7405 1 20 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.199 -0.325 17668 7406 1 20 . 1 1 29 29 LYS C C 34 176.412 176.412 178.245 -1.833 17668 7407 1 20 . 1 1 29 29 LYS CA C 34 58.242 58.242 57.251 0.991 17668 7408 1 20 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.922 -1.177 17668 7409 1 20 . 1 1 29 29 LYS H H 34 8.341 8.341 8.304 0.037 17668 7410 1 20 . 1 1 30 30 GLY N N 35 111.524 111.524 111.463 0.061 17668 7411 1 20 . 1 1 30 30 GLY C C 35 175.715 175.715 174.170 1.545 17668 7412 1 20 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.970 -0.482 17668 7413 1 20 . 1 1 30 30 GLY H H 35 8.509 8.509 8.853 -0.344 17668 7414 1 20 . 1 1 31 31 VAL N N 36 122.461 122.461 122.907 -0.446 17668 7415 1 20 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.085 -0.211 17668 7416 1 20 . 1 1 31 31 VAL C C 36 175.032 175.032 175.071 -0.039 17668 7417 1 20 . 1 1 31 31 VAL CA C 36 63.757 63.757 63.255 0.502 17668 7418 1 20 . 1 1 31 31 VAL CB C 36 31.250 31.250 31.407 -0.157 17668 7419 1 20 . 1 1 31 31 VAL H H 36 7.892 7.892 7.627 0.265 17668 7420 1 20 . 1 1 32 32 ALA N N 37 131.758 131.758 129.341 2.417 17668 7421 1 20 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.620 -0.255 17668 7422 1 20 . 1 1 32 32 ALA C C 37 177.619 177.619 176.913 0.706 17668 7423 1 20 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.041 1.205 17668 7424 1 20 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.503 -0.781 17668 7425 1 20 . 1 1 32 32 ALA H H 37 9.042 9.042 9.026 0.016 17668 7426 1 20 . 1 1 33 33 GLU N N 38 114.258 114.258 118.209 -3.951 17668 7427 1 20 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.600 -0.099 17668 7428 1 20 . 1 1 33 33 GLU C C 38 173.651 173.651 173.781 -0.130 17668 7429 1 20 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.145 -0.568 17668 7430 1 20 . 1 1 33 33 GLU CB C 38 33.666 33.666 33.450 0.216 17668 7431 1 20 . 1 1 33 33 GLU H H 38 7.555 7.555 7.685 -0.130 17668 7432 1 20 . 1 1 34 34 ALA N N 39 125.742 125.742 124.974 0.768 17668 7433 1 20 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.039 0.062 17668 7434 1 20 . 1 1 34 34 ALA C C 39 175.033 175.033 175.694 -0.661 17668 7435 1 20 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.522 -0.242 17668 7436 1 20 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.270 0.967 17668 7437 1 20 . 1 1 34 34 ALA H H 39 9.014 9.014 8.367 0.647 17668 7438 1 20 . 1 1 35 35 SER N N 40 113.711 113.711 116.600 -2.889 17668 7439 1 20 . 1 1 35 35 SER HA H 40 4.855 4.855 5.076 -0.221 17668 7440 1 20 . 1 1 35 35 SER C C 40 173.824 173.824 174.106 -0.282 17668 7441 1 20 . 1 1 35 35 SER CA C 40 56.254 56.254 58.075 -1.821 17668 7442 1 20 . 1 1 35 35 SER CB C 40 65.255 65.255 65.656 -0.401 17668 7443 1 20 . 1 1 35 35 SER H H 40 8.481 8.481 8.912 -0.431 17668 7444 1 20 . 1 1 36 36 VAL N N 41 129.570 129.570 122.235 7.335 17668 7445 1 20 . 1 1 36 36 VAL C C 41 175.204 175.204 175.596 -0.392 17668 7446 1 20 . 1 1 36 36 VAL CA C 41 60.265 60.265 61.416 -1.151 17668 7447 1 20 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.261 1.482 17668 7448 1 20 . 1 1 36 36 VAL H H 41 10.164 10.164 9.258 0.906 17668 7449 1 20 . 1 1 37 37 THR N N 42 123.008 123.008 123.469 -0.461 17668 7450 1 20 . 1 1 37 37 THR HA H 42 4.392 4.392 4.633 -0.241 17668 7451 1 20 . 1 1 37 37 THR C C 42 175.030 175.030 174.716 0.314 17668 7452 1 20 . 1 1 37 37 THR CA C 42 60.760 60.760 61.424 -0.664 17668 7453 1 20 . 1 1 37 37 THR CB C 42 69.255 69.255 69.053 0.202 17668 7454 1 20 . 1 1 37 37 THR H H 42 8.453 8.453 8.561 -0.108 17668 7455 1 20 . 1 1 38 38 VAL N N 43 128.476 128.476 126.109 2.367 17668 7456 1 20 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.652 -0.350 17668 7457 1 20 . 1 1 38 38 VAL C C 43 176.067 176.067 177.018 -0.951 17668 7458 1 20 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.025 -1.757 17668 7459 1 20 . 1 1 38 38 VAL CB C 43 32.227 32.227 32.152 0.075 17668 7460 1 20 . 1 1 38 38 VAL H H 43 8.789 8.789 8.598 0.191 17668 7461 1 20 . 1 1 39 39 ALA N N 44 119.180 119.180 120.935 -1.755 17668 7462 1 20 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.175 -0.191 17668 7463 1 20 . 1 1 39 39 ALA C C 44 179.167 179.167 178.951 0.216 17668 7464 1 20 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.465 0.759 17668 7465 1 20 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.204 0.791 17668 7466 1 20 . 1 1 39 39 ALA H H 44 8.509 8.509 7.923 0.586 17668 7467 1 20 . 1 1 40 40 THR N N 45 135.586 135.586 107.249 28.337 17668 7468 1 20 . 1 1 40 40 THR HA H 45 4.338 4.338 4.338 0.000 17668 7469 1 20 . 1 1 40 40 THR C C 45 176.237 176.237 175.549 0.688 17668 7470 1 20 . 1 1 40 40 THR CA C 45 60.254 60.254 61.878 -1.624 17668 7471 1 20 . 1 1 40 40 THR CB C 45 70.261 70.261 69.647 0.614 17668 7472 1 20 . 1 1 40 40 THR H H 45 6.713 6.713 7.770 -1.057 17668 7473 1 20 . 1 1 41 41 GLY N N 46 110.977 110.977 112.012 -1.035 17668 7474 1 20 . 1 1 41 41 GLY C C 46 172.096 172.096 173.148 -1.052 17668 7475 1 20 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.606 0.619 17668 7476 1 20 . 1 1 41 41 GLY H H 46 7.835 7.835 8.020 -0.185 17668 7477 1 20 . 1 1 42 42 ARG N N 47 118.086 118.086 116.847 1.239 17668 7478 1 20 . 1 1 42 42 ARG C C 47 175.032 175.032 173.774 1.258 17668 7479 1 20 . 1 1 42 42 ARG CA C 47 56.250 56.250 53.678 2.572 17668 7480 1 20 . 1 1 42 42 ARG CB C 47 31.739 31.739 33.614 -1.875 17668 7481 1 20 . 1 1 42 42 ARG H H 47 7.303 7.303 7.810 -0.507 17668 7482 1 20 . 1 1 43 43 LEU N N 48 129.023 129.023 119.139 9.884 17668 7483 1 20 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.160 -0.141 17668 7484 1 20 . 1 1 43 43 LEU C C 48 175.033 175.033 175.235 -0.202 17668 7485 1 20 . 1 1 43 43 LEU CA C 48 53.250 53.250 54.045 -0.795 17668 7486 1 20 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.982 -1.901 17668 7487 1 20 . 1 1 43 43 LEU H H 48 8.986 8.986 7.994 0.992 17668 7488 1 20 . 1 1 44 44 THR N N 49 123.008 123.008 118.157 4.851 17668 7489 1 20 . 1 1 44 44 THR HA H 49 4.964 4.964 5.371 -0.407 17668 7490 1 20 . 1 1 44 44 THR C C 49 173.475 173.475 172.508 0.967 17668 7491 1 20 . 1 1 44 44 THR CA C 49 61.752 61.752 61.630 0.122 17668 7492 1 20 . 1 1 44 44 THR CB C 49 69.756 69.756 71.587 -1.831 17668 7493 1 20 . 1 1 44 44 THR H H 49 9.154 9.154 8.321 0.833 17668 7494 1 20 . 1 1 45 45 VAL N N 50 125.195 125.195 125.788 -0.593 17668 7495 1 20 . 1 1 45 45 VAL HA H 50 5.182 5.182 5.032 0.150 17668 7496 1 20 . 1 1 45 45 VAL C C 50 172.614 172.614 173.473 -0.859 17668 7497 1 20 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.130 -1.368 17668 7498 1 20 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.364 -0.912 17668 7499 1 20 . 1 1 45 45 VAL H H 50 9.071 9.071 9.200 -0.129 17668 7500 1 20 . 1 1 46 46 THR N N 51 124.648 124.648 124.567 0.081 17668 7501 1 20 . 1 1 46 46 THR HA H 51 5.782 5.782 5.406 0.376 17668 7502 1 20 . 1 1 46 46 THR C C 51 174.684 174.684 173.490 1.194 17668 7503 1 20 . 1 1 46 46 THR CA C 51 61.248 61.248 61.174 0.074 17668 7504 1 20 . 1 1 46 46 THR CB C 51 70.265 70.265 70.764 -0.500 17668 7505 1 20 . 1 1 46 46 THR H H 51 8.930 8.930 9.141 -0.211 17668 7506 1 20 . 1 1 47 47 TYR N N 52 124.648 124.648 121.732 2.916 17668 7507 1 20 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.251 0.040 17668 7508 1 20 . 1 1 47 47 TYR C C 52 171.408 171.408 172.718 -1.310 17668 7509 1 20 . 1 1 47 47 TYR CA C 52 55.245 55.245 56.017 -0.772 17668 7510 1 20 . 1 1 47 47 TYR CB C 52 41.754 41.754 40.986 0.768 17668 7511 1 20 . 1 1 47 47 TYR H H 52 9.603 9.603 8.904 0.699 17668 7512 1 20 . 1 1 48 48 ASP N N 53 119.180 119.180 121.674 -2.494 17668 7513 1 20 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.082 -0.117 17668 7514 1 20 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.567 -0.558 17668 7515 1 20 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.537 -0.979 17668 7516 1 20 . 1 1 48 48 ASP H H 53 8.481 8.481 8.388 0.093 17668 7517 1 20 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.833 0.540 17668 7518 1 20 . 1 1 49 49 PRO C C 54 178.311 178.311 176.516 1.795 17668 7519 1 20 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.911 -0.648 17668 7520 1 20 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.770 0.473 17668 7521 1 20 . 1 1 50 50 LYS N N 55 116.992 116.992 118.492 -1.500 17668 7522 1 20 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.385 -0.265 17668 7523 1 20 . 1 1 50 50 LYS C C 55 177.802 177.802 177.666 0.136 17668 7524 1 20 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.880 0.846 17668 7525 1 20 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.820 -1.955 17668 7526 1 20 . 1 1 50 50 LYS H H 55 8.284 8.284 7.789 0.495 17668 7527 1 20 . 1 1 51 51 GLN N N 56 115.352 115.352 118.515 -3.163 17668 7528 1 20 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.424 -0.113 17668 7529 1 20 . 1 1 51 51 GLN C C 56 175.031 175.031 176.249 -1.218 17668 7530 1 20 . 1 1 51 51 GLN CA C 56 56.756 56.756 56.790 -0.034 17668 7531 1 20 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.659 3.093 17668 7532 1 20 . 1 1 51 51 GLN H H 56 7.864 7.864 8.636 -0.772 17668 7533 1 20 . 1 1 52 52 VAL N N 57 120.273 120.273 113.946 6.327 17668 7534 1 20 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.596 -0.203 17668 7535 1 20 . 1 1 52 52 VAL C C 57 170.718 170.718 173.693 -2.975 17668 7536 1 20 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.852 -0.080 17668 7537 1 20 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.973 -0.745 17668 7538 1 20 . 1 1 52 52 VAL H H 57 8.172 8.172 7.703 0.469 17668 7539 1 20 . 1 1 53 53 SER N N 58 116.992 116.992 113.855 3.137 17668 7540 1 20 . 1 1 53 53 SER C C 58 175.377 175.377 175.196 0.181 17668 7541 1 20 . 1 1 53 53 SER CA C 58 55.251 55.251 57.248 -1.997 17668 7542 1 20 . 1 1 53 53 SER CB C 58 66.750 66.750 66.092 0.658 17668 7543 1 20 . 1 1 53 53 SER H H 58 7.611 7.611 8.262 -0.651 17668 7544 1 20 . 1 1 54 54 GLU N N 59 120.820 120.820 121.983 -1.163 17668 7545 1 20 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.733 -0.375 17668 7546 1 20 . 1 1 54 54 GLU C C 59 178.308 178.308 177.417 0.891 17668 7547 1 20 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.423 1.320 17668 7548 1 20 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.278 0.962 17668 7549 1 20 . 1 1 54 54 GLU H H 59 8.930 8.930 8.707 0.223 17668 7550 1 20 . 1 1 55 55 ILE N N 60 118.086 118.086 120.988 -2.902 17668 7551 1 20 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.756 -0.018 17668 7552 1 20 . 1 1 55 55 ILE C C 60 177.448 177.448 178.022 -0.574 17668 7553 1 20 . 1 1 55 55 ILE CA C 60 63.749 63.749 63.568 0.181 17668 7554 1 20 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.586 0.929 17668 7555 1 20 . 1 1 55 55 ILE H H 60 7.583 7.583 7.587 -0.004 17668 7556 1 20 . 1 1 56 56 THR N N 61 119.727 119.727 115.533 4.194 17668 7557 1 20 . 1 1 56 56 THR HA H 61 3.766 3.766 3.975 -0.209 17668 7558 1 20 . 1 1 56 56 THR C C 61 177.104 177.104 176.647 0.457 17668 7559 1 20 . 1 1 56 56 THR CA C 61 66.264 66.264 66.746 -0.481 17668 7560 1 20 . 1 1 56 56 THR CB C 61 68.245 68.245 68.564 -0.319 17668 7561 1 20 . 1 1 56 56 THR H H 61 7.471 7.471 7.800 -0.329 17668 7562 1 20 . 1 1 57 57 ILE N N 62 121.367 121.367 121.766 -0.399 17668 7563 1 20 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.733 -0.702 17668 7564 1 20 . 1 1 57 57 ILE C C 62 176.756 176.756 176.745 0.011 17668 7565 1 20 . 1 1 57 57 ILE CA C 62 65.760 65.760 63.694 2.066 17668 7566 1 20 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.670 0.581 17668 7567 1 20 . 1 1 57 57 ILE H H 62 7.259 7.259 7.728 -0.469 17668 7568 1 20 . 1 1 58 58 GLN N N 63 117.539 117.539 120.830 -3.291 17668 7569 1 20 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.848 -0.246 17668 7570 1 20 . 1 1 58 58 GLN C C 63 179.172 179.172 178.285 0.887 17668 7571 1 20 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.580 0.175 17668 7572 1 20 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.344 -0.610 17668 7573 1 20 . 1 1 58 58 GLN H H 63 7.976 7.976 8.368 -0.392 17668 7574 1 20 . 1 1 59 59 GLU N N 64 119.180 119.180 116.759 2.421 17668 7575 1 20 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.161 -0.287 17668 7576 1 20 . 1 1 59 59 GLU C C 64 179.866 179.866 178.176 1.690 17668 7577 1 20 . 1 1 59 59 GLU CA C 64 59.259 59.259 58.039 1.220 17668 7578 1 20 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.345 0.356 17668 7579 1 20 . 1 1 59 59 GLU H H 64 8.622 8.622 8.227 0.395 17668 7580 1 20 . 1 1 60 60 ARG N N 65 119.727 119.727 119.729 -0.002 17668 7581 1 20 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.371 -0.278 17668 7582 1 20 . 1 1 60 60 ARG C C 65 178.310 178.310 177.906 0.404 17668 7583 1 20 . 1 1 60 60 ARG CA C 65 57.256 57.256 57.299 -0.043 17668 7584 1 20 . 1 1 60 60 ARG CB C 65 28.748 28.748 30.476 -1.728 17668 7585 1 20 . 1 1 60 60 ARG H H 65 7.891 7.891 7.421 0.470 17668 7586 1 20 . 1 1 61 61 ILE N N 66 118.086 118.086 121.114 -3.028 17668 7587 1 20 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.702 -0.155 17668 7588 1 20 . 1 1 61 61 ILE C C 66 178.311 178.311 177.705 0.606 17668 7589 1 20 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.564 -0.819 17668 7590 1 20 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.811 -0.130 17668 7591 1 20 . 1 1 61 61 ILE H H 66 7.443 7.443 8.439 -0.996 17668 7592 1 20 . 1 1 62 62 ALA N N 67 121.914 121.914 121.938 -0.024 17668 7593 1 20 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.430 0.099 17668 7594 1 20 . 1 1 62 62 ALA C C 67 182.626 182.626 180.053 2.573 17668 7595 1 20 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.916 -0.666 17668 7596 1 20 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.329 -0.595 17668 7597 1 20 . 1 1 62 62 ALA H H 67 8.116 8.116 8.318 -0.202 17668 7598 1 20 . 1 1 63 63 ALA N N 68 121.367 121.367 121.331 0.036 17668 7599 1 20 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.204 -0.192 17668 7600 1 20 . 1 1 63 63 ALA C C 68 179.690 179.690 179.132 0.558 17668 7601 1 20 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.189 0.070 17668 7602 1 20 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.482 -0.261 17668 7603 1 20 . 1 1 63 63 ALA H H 68 7.948 7.948 7.772 0.176 17668 7604 1 20 . 1 1 64 64 LEU N N 69 116.445 116.445 117.437 -0.992 17668 7605 1 20 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.200 -0.053 17668 7606 1 20 . 1 1 64 64 LEU C C 69 176.931 176.931 176.710 0.221 17668 7607 1 20 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.761 0.483 17668 7608 1 20 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.973 1.268 17668 7609 1 20 . 1 1 64 64 LEU H H 69 7.247 7.247 7.634 -0.387 17668 7610 1 20 . 1 1 65 65 GLY N N 70 103.867 103.867 104.828 -0.961 17668 7611 1 20 . 1 1 65 65 GLY C C 70 173.651 173.651 174.387 -0.736 17668 7612 1 20 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.821 -0.349 17668 7613 1 20 . 1 1 65 65 GLY H H 70 7.668 7.668 7.522 0.146 17668 7614 1 20 . 1 1 66 66 TYR N N 71 119.180 119.180 120.123 -0.943 17668 7615 1 20 . 1 1 66 66 TYR C C 71 174.513 174.513 175.400 -0.887 17668 7616 1 20 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.926 0.094 17668 7617 1 20 . 1 1 66 66 TYR CB C 71 39.502 39.502 40.402 -0.900 17668 7618 1 20 . 1 1 66 66 TYR H H 71 6.798 6.798 7.924 -1.126 17668 7619 1 20 . 1 1 67 67 THR N N 72 109.883 109.883 110.315 -0.432 17668 7620 1 20 . 1 1 67 67 THR C C 72 173.998 173.998 173.255 0.743 17668 7621 1 20 . 1 1 67 67 THR CA C 72 60.249 60.249 60.397 -0.148 17668 7622 1 20 . 1 1 67 67 THR CB C 72 71.254 71.254 70.894 0.360 17668 7623 1 20 . 1 1 67 67 THR H H 72 8.144 8.144 8.287 -0.143 17668 7624 1 20 . 1 1 68 68 LEU N N 73 122.461 122.461 117.352 5.109 17668 7625 1 20 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.061 -0.015 17668 7626 1 20 . 1 1 68 68 LEU C C 73 174.168 174.168 175.335 -1.167 17668 7627 1 20 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.223 0.029 17668 7628 1 20 . 1 1 68 68 LEU CB C 73 43.743 43.743 45.696 -1.953 17668 7629 1 20 . 1 1 68 68 LEU H H 73 8.397 8.397 8.306 0.091 17668 7630 1 20 . 1 1 69 69 ALA N N 74 125.195 125.195 123.430 1.765 17668 7631 1 20 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.653 -0.315 17668 7632 1 20 . 1 1 69 69 ALA C C 74 176.931 176.931 175.956 0.975 17668 7633 1 20 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.430 3.824 17668 7634 1 20 . 1 1 69 69 ALA CB C 74 18.225 18.225 19.840 -1.615 17668 7635 1 20 . 1 1 69 69 ALA H H 74 8.200 8.200 8.745 -0.545 17668 7636 1 20 . 1 1 70 70 GLU N N 75 120.820 120.820 124.501 -3.681 17668 7637 1 20 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.660 -0.186 17668 7638 1 20 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.334 2.124 17668 7639 1 20 . 1 1 70 70 GLU CB C 75 29.591 29.591 30.451 -0.860 17668 7640 1 20 . 1 1 70 70 GLU H H 75 8.397 8.397 8.577 -0.180 17668 7641 1 21 . 1 1 2 2 LEU N N 7 119.727 119.727 121.410 -1.683 17668 7642 1 21 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.340 -0.002 17668 7643 1 21 . 1 1 2 2 LEU C C 7 176.410 176.410 176.562 -0.152 17668 7644 1 21 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.879 -0.869 17668 7645 1 21 . 1 1 2 2 LEU CB C 7 43.226 43.226 43.199 0.027 17668 7646 1 21 . 1 1 2 2 LEU H H 7 7.919 7.919 8.431 -0.512 17668 7647 1 21 . 1 1 3 3 LYS N N 8 123.008 123.008 121.526 1.482 17668 7648 1 21 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.486 -0.121 17668 7649 1 21 . 1 1 3 3 LYS C C 8 174.512 174.512 174.888 -0.376 17668 7650 1 21 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.955 -0.214 17668 7651 1 21 . 1 1 3 3 LYS CB C 8 35.723 35.723 34.343 1.380 17668 7652 1 21 . 1 1 3 3 LYS H H 8 8.650 8.650 8.173 0.477 17668 7653 1 21 . 1 1 4 4 THR N N 9 120.273 120.273 117.303 2.970 17668 7654 1 21 . 1 1 4 4 THR HA H 9 5.372 5.372 4.979 0.393 17668 7655 1 21 . 1 1 4 4 THR C C 9 174.170 174.170 173.994 0.176 17668 7656 1 21 . 1 1 4 4 THR CA C 9 61.756 61.756 60.498 1.258 17668 7657 1 21 . 1 1 4 4 THR CB C 9 70.757 70.757 70.072 0.685 17668 7658 1 21 . 1 1 4 4 THR H H 9 8.481 8.481 8.296 0.185 17668 7659 1 21 . 1 1 5 5 GLN N N 10 126.836 126.836 124.308 2.528 17668 7660 1 21 . 1 1 5 5 GLN C C 10 173.651 173.651 173.338 0.313 17668 7661 1 21 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.346 -1.110 17668 7662 1 21 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.708 1.776 17668 7663 1 21 . 1 1 5 5 GLN H H 10 9.295 9.295 8.714 0.581 17668 7664 1 21 . 1 1 6 6 GLN N N 11 121.367 121.367 122.416 -1.049 17668 7665 1 21 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.425 0.221 17668 7666 1 21 . 1 1 6 6 GLN C C 11 176.069 176.069 174.841 1.228 17668 7667 1 21 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.218 -0.458 17668 7668 1 21 . 1 1 6 6 GLN CB C 11 31.237 31.237 32.268 -1.031 17668 7669 1 21 . 1 1 6 6 GLN H H 11 8.425 8.425 8.552 -0.127 17668 7670 1 21 . 1 1 7 7 MET N N 12 120.273 120.273 115.365 4.908 17668 7671 1 21 . 1 1 7 7 MET C C 12 173.824 173.824 174.123 -0.299 17668 7672 1 21 . 1 1 7 7 MET CA C 12 54.598 54.598 55.480 -0.881 17668 7673 1 21 . 1 1 7 7 MET CB C 12 37.258 37.258 36.072 1.186 17668 7674 1 21 . 1 1 7 7 MET H H 12 9.294 9.294 8.829 0.465 17668 7675 1 21 . 1 1 8 8 GLN N N 13 122.461 122.461 121.063 1.398 17668 7676 1 21 . 1 1 8 8 GLN C C 13 174.863 174.863 174.192 0.671 17668 7677 1 21 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.913 -1.160 17668 7678 1 21 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.258 -0.015 17668 7679 1 21 . 1 1 8 8 GLN H H 13 8.790 8.790 8.522 0.268 17668 7680 1 21 . 1 1 9 9 VAL N N 14 126.289 126.289 123.886 2.403 17668 7681 1 21 . 1 1 9 9 VAL C C 14 176.586 176.586 175.767 0.819 17668 7682 1 21 . 1 1 9 9 VAL CA C 14 61.255 61.255 61.397 -0.142 17668 7683 1 21 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.222 -1.755 17668 7684 1 21 . 1 1 9 9 VAL H H 14 8.930 8.930 8.519 0.411 17668 7685 1 21 . 1 1 10 10 GLY N N 15 117.539 117.539 114.446 3.093 17668 7686 1 21 . 1 1 10 10 GLY C C 15 173.997 173.997 175.426 -1.429 17668 7687 1 21 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.901 -0.656 17668 7688 1 21 . 1 1 10 10 GLY H H 15 9.351 9.351 8.768 0.583 17668 7689 1 21 . 1 1 11 11 GLY N N 16 107.149 107.149 112.537 -5.388 17668 7690 1 21 . 1 1 11 11 GLY C C 16 176.067 176.067 176.177 -0.110 17668 7691 1 21 . 1 1 11 11 GLY CA C 16 45.256 45.256 46.361 -1.105 17668 7692 1 21 . 1 1 11 11 GLY H H 16 8.284 8.284 8.678 -0.394 17668 7693 1 21 . 1 1 12 12 MET N N 17 118.633 118.633 118.416 0.217 17668 7694 1 21 . 1 1 12 12 MET C C 17 177.102 177.102 177.701 -0.599 17668 7695 1 21 . 1 1 12 12 MET CA C 17 57.740 57.740 56.885 0.855 17668 7696 1 21 . 1 1 12 12 MET CB C 17 34.243 34.243 31.552 2.691 17668 7697 1 21 . 1 1 12 12 MET H H 17 8.509 8.509 7.649 0.860 17668 7698 1 21 . 1 1 13 13 ARG N N 18 126.836 126.836 116.475 10.361 17668 7699 1 21 . 1 1 13 13 ARG C C 18 175.032 175.032 176.761 -1.729 17668 7700 1 21 . 1 1 13 13 ARG CA C 18 57.239 57.239 57.124 0.115 17668 7701 1 21 . 1 1 13 13 ARG CB C 18 32.744 32.744 29.767 2.977 17668 7702 1 21 . 1 1 13 13 ARG H H 18 10.782 10.782 8.014 2.768 17668 7703 1 21 . 1 1 14 14 CYS N N 19 114.805 114.805 118.375 -3.570 17668 7704 1 21 . 1 1 14 14 CYS CA C 19 56.217 56.217 58.102 -1.885 17668 7705 1 21 . 1 1 14 14 CYS CB C 19 30.413 30.413 29.621 0.792 17668 7706 1 21 . 1 1 14 14 CYS H H 19 8.425 8.425 7.793 0.632 17668 7707 1 21 . 1 1 15 15 ALA CA C 20 51.257 51.257 53.601 -2.344 17668 7708 1 21 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.631 0.616 17668 7709 1 21 . 1 1 16 16 ALA N N 21 118.906 118.906 126.270 -7.364 17668 7710 1 21 . 1 1 16 16 ALA HA H 21 4.147 4.147 3.908 0.239 17668 7711 1 21 . 1 1 16 16 ALA C C 21 180.553 180.553 178.153 2.400 17668 7712 1 21 . 1 1 16 16 ALA CA C 21 54.756 54.756 53.406 1.350 17668 7713 1 21 . 1 1 16 16 ALA CB C 21 18.233 18.233 17.063 1.170 17668 7714 1 21 . 1 1 17 17 CYS N N 22 121.914 121.914 118.476 3.438 17668 7715 1 21 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.286 -0.465 17668 7716 1 21 . 1 1 17 17 CYS C C 22 177.966 177.966 176.709 1.257 17668 7717 1 21 . 1 1 17 17 CYS CA C 22 64.748 64.748 62.467 2.281 17668 7718 1 21 . 1 1 17 17 CYS CB C 22 29.245 29.245 27.319 1.926 17668 7719 1 21 . 1 1 17 17 CYS H H 22 7.640 7.640 7.943 -0.303 17668 7720 1 21 . 1 1 18 18 ALA N N 23 119.180 119.180 122.342 -3.162 17668 7721 1 21 . 1 1 18 18 ALA HA H 23 3.603 3.603 4.002 -0.399 17668 7722 1 21 . 1 1 18 18 ALA C C 23 179.173 179.173 178.578 0.595 17668 7723 1 21 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.458 0.800 17668 7724 1 21 . 1 1 18 18 ALA CB C 23 18.741 18.741 17.975 0.766 17668 7725 1 21 . 1 1 18 18 ALA H H 23 6.629 6.629 8.495 -1.866 17668 7726 1 21 . 1 1 19 19 SER N N 24 112.618 112.618 114.437 -1.819 17668 7727 1 21 . 1 1 19 19 SER HA H 24 4.147 4.147 4.109 0.038 17668 7728 1 21 . 1 1 19 19 SER C C 24 176.764 176.764 176.858 -0.094 17668 7729 1 21 . 1 1 19 19 SER CA C 24 61.259 61.259 61.505 -0.246 17668 7730 1 21 . 1 1 19 19 SER CB C 24 62.754 62.754 62.875 -0.121 17668 7731 1 21 . 1 1 19 19 SER H H 24 7.752 7.752 7.757 -0.005 17668 7732 1 21 . 1 1 20 20 SER N N 25 116.992 116.992 117.309 -0.317 17668 7733 1 21 . 1 1 20 20 SER HA H 25 3.521 3.521 4.273 -0.752 17668 7734 1 21 . 1 1 20 20 SER C C 25 177.448 177.448 175.376 2.072 17668 7735 1 21 . 1 1 20 20 SER CA C 25 61.870 61.870 61.159 0.711 17668 7736 1 21 . 1 1 20 20 SER CB C 25 62.751 62.751 63.361 -0.610 17668 7737 1 21 . 1 1 20 20 SER H H 25 7.989 7.989 7.684 0.305 17668 7738 1 21 . 1 1 21 21 ILE N N 26 122.461 122.461 121.668 0.793 17668 7739 1 21 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.947 -0.617 17668 7740 1 21 . 1 1 21 21 ILE C C 26 176.930 176.930 177.168 -0.238 17668 7741 1 21 . 1 1 21 21 ILE CA C 26 66.255 66.255 62.940 3.315 17668 7742 1 21 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.565 -0.328 17668 7743 1 21 . 1 1 21 21 ILE H H 26 7.583 7.583 7.222 0.361 17668 7744 1 21 . 1 1 22 22 GLU N N 27 116.992 116.992 120.208 -3.216 17668 7745 1 21 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.973 -0.507 17668 7746 1 21 . 1 1 22 22 GLU C C 27 178.916 178.916 179.016 -0.100 17668 7747 1 21 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.269 1.484 17668 7748 1 21 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.688 0.020 17668 7749 1 21 . 1 1 22 22 GLU H H 27 8.004 8.004 8.350 -0.346 17668 7750 1 21 . 1 1 23 23 ARG N N 28 114.805 114.805 119.065 -4.260 17668 7751 1 21 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.092 -0.136 17668 7752 1 21 . 1 1 23 23 ARG C C 28 179.517 179.517 177.503 2.014 17668 7753 1 21 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.771 -0.019 17668 7754 1 21 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.331 0.415 17668 7755 1 21 . 1 1 23 23 ARG H H 28 8.256 8.256 8.300 -0.044 17668 7756 1 21 . 1 1 24 24 ALA N N 29 118.633 118.633 120.867 -2.234 17668 7757 1 21 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.362 -0.405 17668 7758 1 21 . 1 1 24 24 ALA C C 29 181.073 181.073 179.289 1.784 17668 7759 1 21 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.033 1.716 17668 7760 1 21 . 1 1 24 24 ALA CB C 29 18.729 18.729 19.376 -0.647 17668 7761 1 21 . 1 1 24 24 ALA H H 29 7.555 7.555 7.628 -0.073 17668 7762 1 21 . 1 1 25 25 LEU N N 30 115.899 115.899 121.064 -5.165 17668 7763 1 21 . 1 1 25 25 LEU HA H 30 3.984 3.984 3.963 0.021 17668 7764 1 21 . 1 1 25 25 LEU C C 30 178.658 178.658 178.797 -0.139 17668 7765 1 21 . 1 1 25 25 LEU CA C 30 57.221 57.221 58.047 -0.826 17668 7766 1 21 . 1 1 25 25 LEU CB C 30 41.248 41.248 42.021 -0.773 17668 7767 1 21 . 1 1 25 25 LEU H H 30 7.976 7.976 8.444 -0.468 17668 7768 1 21 . 1 1 26 26 GLU N N 31 115.899 115.899 114.618 1.281 17668 7769 1 21 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.212 -0.474 17668 7770 1 21 . 1 1 26 26 GLU C C 31 177.793 177.793 177.061 0.732 17668 7771 1 21 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.782 0.945 17668 7772 1 21 . 1 1 26 26 GLU CB C 31 29.241 29.241 30.053 -0.812 17668 7773 1 21 . 1 1 26 26 GLU H H 31 8.116 8.116 7.821 0.295 17668 7774 1 21 . 1 1 27 27 ARG N N 32 114.258 114.258 116.227 -1.969 17668 7775 1 21 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.466 -0.319 17668 7776 1 21 . 1 1 27 27 ARG C C 32 176.757 176.757 176.711 0.046 17668 7777 1 21 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.389 0.861 17668 7778 1 21 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.243 -0.499 17668 7779 1 21 . 1 1 27 27 ARG H H 32 6.854 6.854 7.668 -0.814 17668 7780 1 21 . 1 1 28 28 LEU N N 33 123.008 123.008 123.168 -0.160 17668 7781 1 21 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.210 -0.008 17668 7782 1 21 . 1 1 28 28 LEU C C 33 176.412 176.412 177.672 -1.260 17668 7783 1 21 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.198 -0.949 17668 7784 1 21 . 1 1 28 28 LEU CB C 33 41.739 41.739 41.695 0.044 17668 7785 1 21 . 1 1 28 28 LEU H H 33 7.501 7.501 7.697 -0.196 17668 7786 1 21 . 1 1 29 29 LYS N N 34 127.383 127.383 126.100 1.283 17668 7787 1 21 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.066 -0.192 17668 7788 1 21 . 1 1 29 29 LYS C C 34 176.412 176.412 177.643 -1.231 17668 7789 1 21 . 1 1 29 29 LYS CA C 34 58.242 58.242 58.527 -0.285 17668 7790 1 21 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.212 -0.466 17668 7791 1 21 . 1 1 29 29 LYS H H 34 8.341 8.341 8.736 -0.395 17668 7792 1 21 . 1 1 30 30 GLY N N 35 111.524 111.524 104.979 6.545 17668 7793 1 21 . 1 1 30 30 GLY C C 35 175.715 175.715 174.090 1.625 17668 7794 1 21 . 1 1 30 30 GLY CA C 35 45.488 45.488 44.599 0.889 17668 7795 1 21 . 1 1 30 30 GLY H H 35 8.509 8.509 8.171 0.338 17668 7796 1 21 . 1 1 31 31 VAL N N 36 122.461 122.461 120.023 2.438 17668 7797 1 21 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.390 -0.516 17668 7798 1 21 . 1 1 31 31 VAL C C 36 175.032 175.032 174.849 0.183 17668 7799 1 21 . 1 1 31 31 VAL CA C 36 63.757 63.757 61.816 1.942 17668 7800 1 21 . 1 1 31 31 VAL CB C 36 31.250 31.250 31.833 -0.583 17668 7801 1 21 . 1 1 31 31 VAL H H 36 7.892 7.892 7.764 0.128 17668 7802 1 21 . 1 1 32 32 ALA N N 37 131.758 131.758 130.552 1.206 17668 7803 1 21 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.516 -0.151 17668 7804 1 21 . 1 1 32 32 ALA C C 37 177.619 177.619 176.828 0.791 17668 7805 1 21 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.488 0.758 17668 7806 1 21 . 1 1 32 32 ALA CB C 37 20.722 20.722 20.880 -0.158 17668 7807 1 21 . 1 1 32 32 ALA H H 37 9.042 9.042 8.945 0.097 17668 7808 1 21 . 1 1 33 33 GLU N N 38 114.258 114.258 114.681 -0.423 17668 7809 1 21 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.566 -0.064 17668 7810 1 21 . 1 1 33 33 GLU C C 38 173.651 173.651 174.115 -0.464 17668 7811 1 21 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.030 -0.453 17668 7812 1 21 . 1 1 33 33 GLU CB C 38 33.666 33.666 31.993 1.673 17668 7813 1 21 . 1 1 33 33 GLU H H 38 7.555 7.555 7.632 -0.077 17668 7814 1 21 . 1 1 34 34 ALA N N 39 125.742 125.742 124.401 1.341 17668 7815 1 21 . 1 1 34 34 ALA HA H 39 5.101 5.101 4.789 0.312 17668 7816 1 21 . 1 1 34 34 ALA C C 39 175.033 175.033 175.407 -0.374 17668 7817 1 21 . 1 1 34 34 ALA CA C 39 51.280 51.280 52.175 -0.895 17668 7818 1 21 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.080 1.157 17668 7819 1 21 . 1 1 34 34 ALA H H 39 9.014 9.014 8.467 0.547 17668 7820 1 21 . 1 1 35 35 SER N N 40 113.711 113.711 116.144 -2.433 17668 7821 1 21 . 1 1 35 35 SER HA H 40 4.855 4.855 4.837 0.018 17668 7822 1 21 . 1 1 35 35 SER C C 40 173.824 173.824 172.842 0.982 17668 7823 1 21 . 1 1 35 35 SER CA C 40 56.254 56.254 58.540 -2.286 17668 7824 1 21 . 1 1 35 35 SER CB C 40 65.255 65.255 64.953 0.302 17668 7825 1 21 . 1 1 35 35 SER H H 40 8.481 8.481 8.806 -0.325 17668 7826 1 21 . 1 1 36 36 VAL N N 41 129.570 129.570 128.115 1.455 17668 7827 1 21 . 1 1 36 36 VAL C C 41 175.204 175.204 175.799 -0.595 17668 7828 1 21 . 1 1 36 36 VAL CA C 41 60.265 60.265 61.849 -1.584 17668 7829 1 21 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.395 1.348 17668 7830 1 21 . 1 1 36 36 VAL H H 41 10.164 10.164 9.644 0.520 17668 7831 1 21 . 1 1 37 37 THR N N 42 123.008 123.008 125.000 -1.992 17668 7832 1 21 . 1 1 37 37 THR HA H 42 4.392 4.392 4.478 -0.086 17668 7833 1 21 . 1 1 37 37 THR C C 42 175.030 175.030 174.882 0.148 17668 7834 1 21 . 1 1 37 37 THR CA C 42 60.760 60.760 62.242 -1.482 17668 7835 1 21 . 1 1 37 37 THR CB C 42 69.255 69.255 68.568 0.687 17668 7836 1 21 . 1 1 37 37 THR H H 42 8.453 8.453 8.838 -0.385 17668 7837 1 21 . 1 1 38 38 VAL N N 43 128.476 128.476 127.722 0.754 17668 7838 1 21 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.652 -0.350 17668 7839 1 21 . 1 1 38 38 VAL C C 43 176.067 176.067 177.495 -1.428 17668 7840 1 21 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.788 -2.520 17668 7841 1 21 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.921 0.307 17668 7842 1 21 . 1 1 38 38 VAL H H 43 8.789 8.789 8.158 0.631 17668 7843 1 21 . 1 1 39 39 ALA N N 44 119.180 119.180 117.934 1.246 17668 7844 1 21 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.178 -0.194 17668 7845 1 21 . 1 1 39 39 ALA C C 44 179.167 179.167 177.824 1.343 17668 7846 1 21 . 1 1 39 39 ALA CA C 44 55.225 55.225 53.672 1.554 17668 7847 1 21 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.460 0.535 17668 7848 1 21 . 1 1 39 39 ALA H H 44 8.509 8.509 8.439 0.070 17668 7849 1 21 . 1 1 40 40 THR N N 45 135.586 135.586 106.819 28.767 17668 7850 1 21 . 1 1 40 40 THR HA H 45 4.338 4.338 4.440 -0.102 17668 7851 1 21 . 1 1 40 40 THR C C 45 176.237 176.237 175.635 0.602 17668 7852 1 21 . 1 1 40 40 THR CA C 45 60.254 60.254 61.342 -1.088 17668 7853 1 21 . 1 1 40 40 THR CB C 45 70.261 70.261 70.525 -0.264 17668 7854 1 21 . 1 1 40 40 THR H H 45 6.713 6.713 7.398 -0.685 17668 7855 1 21 . 1 1 41 41 GLY N N 46 110.977 110.977 112.353 -1.376 17668 7856 1 21 . 1 1 41 41 GLY C C 46 172.096 172.096 173.072 -0.976 17668 7857 1 21 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.639 0.586 17668 7858 1 21 . 1 1 41 41 GLY H H 46 7.835 7.835 8.402 -0.567 17668 7859 1 21 . 1 1 42 42 ARG N N 47 118.086 118.086 116.173 1.913 17668 7860 1 21 . 1 1 42 42 ARG C C 47 175.032 175.032 173.238 1.794 17668 7861 1 21 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.476 1.774 17668 7862 1 21 . 1 1 42 42 ARG CB C 47 31.739 31.739 33.281 -1.542 17668 7863 1 21 . 1 1 42 42 ARG H H 47 7.303 7.303 7.570 -0.267 17668 7864 1 21 . 1 1 43 43 LEU N N 48 129.023 129.023 120.405 8.618 17668 7865 1 21 . 1 1 43 43 LEU HA H 48 5.019 5.019 4.985 0.034 17668 7866 1 21 . 1 1 43 43 LEU C C 48 175.033 175.033 175.111 -0.078 17668 7867 1 21 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.618 -0.368 17668 7868 1 21 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.752 -1.671 17668 7869 1 21 . 1 1 43 43 LEU H H 48 8.986 8.986 8.397 0.589 17668 7870 1 21 . 1 1 44 44 THR N N 49 123.008 123.008 118.972 4.036 17668 7871 1 21 . 1 1 44 44 THR HA H 49 4.964 4.964 5.330 -0.366 17668 7872 1 21 . 1 1 44 44 THR C C 49 173.475 173.475 172.477 0.998 17668 7873 1 21 . 1 1 44 44 THR CA C 49 61.752 61.752 61.586 0.167 17668 7874 1 21 . 1 1 44 44 THR CB C 49 69.756 69.756 71.462 -1.706 17668 7875 1 21 . 1 1 44 44 THR H H 49 9.154 9.154 8.205 0.949 17668 7876 1 21 . 1 1 45 45 VAL N N 50 125.195 125.195 125.148 0.047 17668 7877 1 21 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.825 0.357 17668 7878 1 21 . 1 1 45 45 VAL C C 50 172.614 172.614 173.272 -0.658 17668 7879 1 21 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.115 -1.353 17668 7880 1 21 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.178 -0.726 17668 7881 1 21 . 1 1 45 45 VAL H H 50 9.071 9.071 9.291 -0.220 17668 7882 1 21 . 1 1 46 46 THR N N 51 124.648 124.648 124.666 -0.018 17668 7883 1 21 . 1 1 46 46 THR HA H 51 5.782 5.782 5.240 0.542 17668 7884 1 21 . 1 1 46 46 THR C C 51 174.684 174.684 173.683 1.001 17668 7885 1 21 . 1 1 46 46 THR CA C 51 61.248 61.248 61.053 0.195 17668 7886 1 21 . 1 1 46 46 THR CB C 51 70.265 70.265 70.229 0.036 17668 7887 1 21 . 1 1 46 46 THR H H 51 8.930 8.930 8.810 0.120 17668 7888 1 21 . 1 1 47 47 TYR N N 52 124.648 124.648 122.736 1.912 17668 7889 1 21 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.328 -0.037 17668 7890 1 21 . 1 1 47 47 TYR C C 52 171.408 171.408 172.907 -1.499 17668 7891 1 21 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.316 -0.071 17668 7892 1 21 . 1 1 47 47 TYR CB C 52 41.754 41.754 40.938 0.816 17668 7893 1 21 . 1 1 47 47 TYR H H 52 9.603 9.603 8.968 0.635 17668 7894 1 21 . 1 1 48 48 ASP N N 53 119.180 119.180 121.402 -2.222 17668 7895 1 21 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.178 -0.213 17668 7896 1 21 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.908 -0.899 17668 7897 1 21 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.333 -1.775 17668 7898 1 21 . 1 1 48 48 ASP H H 53 8.481 8.481 8.265 0.216 17668 7899 1 21 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.971 0.402 17668 7900 1 21 . 1 1 49 49 PRO C C 54 178.311 178.311 176.641 1.670 17668 7901 1 21 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.989 -0.726 17668 7902 1 21 . 1 1 49 49 PRO CB C 54 32.243 32.243 32.012 0.231 17668 7903 1 21 . 1 1 50 50 LYS N N 55 116.992 116.992 116.898 0.094 17668 7904 1 21 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.505 -0.385 17668 7905 1 21 . 1 1 50 50 LYS C C 55 177.802 177.802 177.701 0.101 17668 7906 1 21 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.604 1.122 17668 7907 1 21 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.067 -1.202 17668 7908 1 21 . 1 1 50 50 LYS H H 55 8.284 8.284 8.081 0.203 17668 7909 1 21 . 1 1 51 51 GLN N N 56 115.352 115.352 118.287 -2.935 17668 7910 1 21 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.346 -0.035 17668 7911 1 21 . 1 1 51 51 GLN C C 56 175.031 175.031 176.676 -1.645 17668 7912 1 21 . 1 1 51 51 GLN CA C 56 56.756 56.756 57.249 -0.493 17668 7913 1 21 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.040 3.712 17668 7914 1 21 . 1 1 51 51 GLN H H 56 7.864 7.864 8.537 -0.673 17668 7915 1 21 . 1 1 52 52 VAL N N 57 120.273 120.273 112.360 7.913 17668 7916 1 21 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.511 -0.118 17668 7917 1 21 . 1 1 52 52 VAL C C 57 170.718 170.718 173.598 -2.880 17668 7918 1 21 . 1 1 52 52 VAL CA C 57 59.772 59.772 60.020 -0.248 17668 7919 1 21 . 1 1 52 52 VAL CB C 57 34.228 34.228 33.811 0.417 17668 7920 1 21 . 1 1 52 52 VAL H H 57 8.172 8.172 8.230 -0.058 17668 7921 1 21 . 1 1 53 53 SER N N 58 116.992 116.992 113.669 3.323 17668 7922 1 21 . 1 1 53 53 SER C C 58 175.377 175.377 175.000 0.377 17668 7923 1 21 . 1 1 53 53 SER CA C 58 55.251 55.251 57.435 -2.184 17668 7924 1 21 . 1 1 53 53 SER CB C 58 66.750 66.750 65.839 0.911 17668 7925 1 21 . 1 1 53 53 SER H H 58 7.611 7.611 8.190 -0.579 17668 7926 1 21 . 1 1 54 54 GLU N N 59 120.820 120.820 121.135 -0.315 17668 7927 1 21 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.912 -0.554 17668 7928 1 21 . 1 1 54 54 GLU C C 59 178.308 178.308 177.504 0.804 17668 7929 1 21 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.446 1.297 17668 7930 1 21 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.405 0.835 17668 7931 1 21 . 1 1 54 54 GLU H H 59 8.930 8.930 8.693 0.237 17668 7932 1 21 . 1 1 55 55 ILE N N 60 118.086 118.086 121.071 -2.985 17668 7933 1 21 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.756 -0.018 17668 7934 1 21 . 1 1 55 55 ILE C C 60 177.448 177.448 178.030 -0.582 17668 7935 1 21 . 1 1 55 55 ILE CA C 60 63.749 63.749 62.972 0.777 17668 7936 1 21 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.432 1.083 17668 7937 1 21 . 1 1 55 55 ILE H H 60 7.583 7.583 7.499 0.084 17668 7938 1 21 . 1 1 56 56 THR N N 61 119.727 119.727 115.373 4.354 17668 7939 1 21 . 1 1 56 56 THR HA H 61 3.766 3.766 3.968 -0.202 17668 7940 1 21 . 1 1 56 56 THR C C 61 177.104 177.104 176.667 0.437 17668 7941 1 21 . 1 1 56 56 THR CA C 61 66.264 66.264 66.777 -0.513 17668 7942 1 21 . 1 1 56 56 THR CB C 61 68.245 68.245 68.655 -0.410 17668 7943 1 21 . 1 1 56 56 THR H H 61 7.471 7.471 7.861 -0.390 17668 7944 1 21 . 1 1 57 57 ILE N N 62 121.367 121.367 121.050 0.317 17668 7945 1 21 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.008 -0.977 17668 7946 1 21 . 1 1 57 57 ILE C C 62 176.756 176.756 176.349 0.407 17668 7947 1 21 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.004 3.756 17668 7948 1 21 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.976 0.275 17668 7949 1 21 . 1 1 57 57 ILE H H 62 7.259 7.259 7.296 -0.037 17668 7950 1 21 . 1 1 58 58 GLN N N 63 117.539 117.539 121.703 -4.164 17668 7951 1 21 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.774 -0.172 17668 7952 1 21 . 1 1 58 58 GLN C C 63 179.172 179.172 178.056 1.116 17668 7953 1 21 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.973 -0.218 17668 7954 1 21 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.641 -0.907 17668 7955 1 21 . 1 1 58 58 GLN H H 63 7.976 7.976 8.779 -0.803 17668 7956 1 21 . 1 1 59 59 GLU N N 64 119.180 119.180 117.773 1.407 17668 7957 1 21 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.052 -0.178 17668 7958 1 21 . 1 1 59 59 GLU C C 64 179.866 179.866 179.189 0.677 17668 7959 1 21 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.076 0.183 17668 7960 1 21 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.010 0.690 17668 7961 1 21 . 1 1 59 59 GLU H H 64 8.622 8.622 7.822 0.800 17668 7962 1 21 . 1 1 60 60 ARG N N 65 119.727 119.727 120.220 -0.493 17668 7963 1 21 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.129 -0.036 17668 7964 1 21 . 1 1 60 60 ARG C C 65 178.310 178.310 178.916 -0.606 17668 7965 1 21 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.389 -1.133 17668 7966 1 21 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.551 -0.803 17668 7967 1 21 . 1 1 60 60 ARG H H 65 7.891 7.891 7.550 0.341 17668 7968 1 21 . 1 1 61 61 ILE N N 66 118.086 118.086 119.307 -1.221 17668 7969 1 21 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.762 -0.215 17668 7970 1 21 . 1 1 61 61 ILE C C 66 178.311 178.311 177.481 0.830 17668 7971 1 21 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.376 -0.631 17668 7972 1 21 . 1 1 61 61 ILE CB C 66 37.681 37.681 38.057 -0.376 17668 7973 1 21 . 1 1 61 61 ILE H H 66 7.443 7.443 8.153 -0.710 17668 7974 1 21 . 1 1 62 62 ALA N N 67 121.914 121.914 121.983 -0.069 17668 7975 1 21 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.429 0.100 17668 7976 1 21 . 1 1 62 62 ALA C C 67 182.626 182.626 180.294 2.332 17668 7977 1 21 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.635 -0.385 17668 7978 1 21 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.446 -0.711 17668 7979 1 21 . 1 1 62 62 ALA H H 67 8.116 8.116 8.351 -0.235 17668 7980 1 21 . 1 1 63 63 ALA N N 68 121.367 121.367 121.501 -0.134 17668 7981 1 21 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.201 -0.189 17668 7982 1 21 . 1 1 63 63 ALA C C 68 179.690 179.690 179.018 0.672 17668 7983 1 21 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.327 -0.068 17668 7984 1 21 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.721 -0.500 17668 7985 1 21 . 1 1 63 63 ALA H H 68 7.948 7.948 7.878 0.070 17668 7986 1 21 . 1 1 64 64 LEU N N 69 116.445 116.445 117.243 -0.798 17668 7987 1 21 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.299 -0.152 17668 7988 1 21 . 1 1 64 64 LEU C C 69 176.931 176.931 177.173 -0.242 17668 7989 1 21 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.582 0.663 17668 7990 1 21 . 1 1 64 64 LEU CB C 69 43.241 43.241 40.636 2.604 17668 7991 1 21 . 1 1 64 64 LEU H H 69 7.247 7.247 7.534 -0.287 17668 7992 1 21 . 1 1 65 65 GLY N N 70 103.867 103.867 105.252 -1.385 17668 7993 1 21 . 1 1 65 65 GLY C C 70 173.651 173.651 174.545 -0.894 17668 7994 1 21 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.914 -0.442 17668 7995 1 21 . 1 1 65 65 GLY H H 70 7.668 7.668 7.516 0.152 17668 7996 1 21 . 1 1 66 66 TYR N N 71 119.180 119.180 120.174 -0.994 17668 7997 1 21 . 1 1 66 66 TYR C C 71 174.513 174.513 175.067 -0.554 17668 7998 1 21 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.045 0.974 17668 7999 1 21 . 1 1 66 66 TYR CB C 71 39.502 39.502 40.381 -0.879 17668 8000 1 21 . 1 1 66 66 TYR H H 71 6.798 6.798 7.803 -1.005 17668 8001 1 21 . 1 1 67 67 THR N N 72 109.883 109.883 110.837 -0.954 17668 8002 1 21 . 1 1 67 67 THR C C 72 173.998 173.998 173.270 0.728 17668 8003 1 21 . 1 1 67 67 THR CA C 72 60.249 60.249 61.372 -1.123 17668 8004 1 21 . 1 1 67 67 THR CB C 72 71.254 71.254 71.419 -0.165 17668 8005 1 21 . 1 1 67 67 THR H H 72 8.144 8.144 8.382 -0.238 17668 8006 1 21 . 1 1 68 68 LEU N N 73 122.461 122.461 116.766 5.695 17668 8007 1 21 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.301 -0.255 17668 8008 1 21 . 1 1 68 68 LEU C C 73 174.168 174.168 175.086 -0.918 17668 8009 1 21 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.712 -0.460 17668 8010 1 21 . 1 1 68 68 LEU CB C 73 43.743 43.743 46.298 -2.555 17668 8011 1 21 . 1 1 68 68 LEU H H 73 8.397 8.397 8.327 0.070 17668 8012 1 21 . 1 1 69 69 ALA N N 74 125.195 125.195 123.022 2.173 17668 8013 1 21 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.719 -0.381 17668 8014 1 21 . 1 1 69 69 ALA C C 74 176.931 176.931 175.918 1.013 17668 8015 1 21 . 1 1 69 69 ALA CA C 74 55.254 55.254 52.004 3.250 17668 8016 1 21 . 1 1 69 69 ALA CB C 74 18.225 18.225 21.104 -2.879 17668 8017 1 21 . 1 1 69 69 ALA H H 74 8.200 8.200 8.730 -0.530 17668 8018 1 21 . 1 1 70 70 GLU N N 75 120.820 120.820 123.801 -2.981 17668 8019 1 21 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.791 -0.317 17668 8020 1 21 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.044 2.414 17668 8021 1 21 . 1 1 70 70 GLU CB C 75 29.591 29.591 30.273 -0.682 17668 8022 1 21 . 1 1 70 70 GLU H H 75 8.397 8.397 8.656 -0.259 17668 8023 1 22 . 1 1 2 2 LEU N N 7 119.727 119.727 117.289 2.438 17668 8024 1 22 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.631 -0.293 17668 8025 1 22 . 1 1 2 2 LEU C C 7 176.410 176.410 176.400 0.010 17668 8026 1 22 . 1 1 2 2 LEU CA C 7 54.010 54.010 55.061 -1.051 17668 8027 1 22 . 1 1 2 2 LEU CB C 7 43.226 43.226 42.390 0.836 17668 8028 1 22 . 1 1 2 2 LEU H H 7 7.919 7.919 8.282 -0.363 17668 8029 1 22 . 1 1 3 3 LYS N N 8 123.008 123.008 122.503 0.505 17668 8030 1 22 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.609 -0.244 17668 8031 1 22 . 1 1 3 3 LYS C C 8 174.512 174.512 174.743 -0.231 17668 8032 1 22 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.511 0.230 17668 8033 1 22 . 1 1 3 3 LYS CB C 8 35.723 35.723 36.735 -1.012 17668 8034 1 22 . 1 1 3 3 LYS H H 8 8.650 8.650 8.961 -0.311 17668 8035 1 22 . 1 1 4 4 THR N N 9 120.273 120.273 116.359 3.914 17668 8036 1 22 . 1 1 4 4 THR HA H 9 5.372 5.372 4.391 0.981 17668 8037 1 22 . 1 1 4 4 THR C C 9 174.170 174.170 174.242 -0.072 17668 8038 1 22 . 1 1 4 4 THR CA C 9 61.756 61.756 62.331 -0.575 17668 8039 1 22 . 1 1 4 4 THR CB C 9 70.757 70.757 69.349 1.408 17668 8040 1 22 . 1 1 4 4 THR H H 9 8.481 8.481 8.322 0.159 17668 8041 1 22 . 1 1 5 5 GLN N N 10 126.836 126.836 123.779 3.057 17668 8042 1 22 . 1 1 5 5 GLN C C 10 173.651 173.651 173.324 0.327 17668 8043 1 22 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.068 -0.832 17668 8044 1 22 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.482 2.002 17668 8045 1 22 . 1 1 5 5 GLN H H 10 9.295 9.295 8.348 0.947 17668 8046 1 22 . 1 1 6 6 GLN N N 11 121.367 121.367 122.460 -1.093 17668 8047 1 22 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.372 0.274 17668 8048 1 22 . 1 1 6 6 GLN C C 11 176.069 176.069 175.004 1.065 17668 8049 1 22 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.336 -0.576 17668 8050 1 22 . 1 1 6 6 GLN CB C 11 31.237 31.237 32.637 -1.400 17668 8051 1 22 . 1 1 6 6 GLN H H 11 8.425 8.425 8.592 -0.167 17668 8052 1 22 . 1 1 7 7 MET N N 12 120.273 120.273 115.965 4.308 17668 8053 1 22 . 1 1 7 7 MET C C 12 173.824 173.824 173.454 0.370 17668 8054 1 22 . 1 1 7 7 MET CA C 12 54.598 54.598 54.121 0.477 17668 8055 1 22 . 1 1 7 7 MET CB C 12 37.258 37.258 36.193 1.065 17668 8056 1 22 . 1 1 7 7 MET H H 12 9.294 9.294 8.512 0.782 17668 8057 1 22 . 1 1 8 8 GLN N N 13 122.461 122.461 119.901 2.560 17668 8058 1 22 . 1 1 8 8 GLN C C 13 174.863 174.863 174.256 0.607 17668 8059 1 22 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.681 0.071 17668 8060 1 22 . 1 1 8 8 GLN CB C 13 30.243 30.243 31.415 -1.172 17668 8061 1 22 . 1 1 8 8 GLN H H 13 8.790 8.790 8.338 0.452 17668 8062 1 22 . 1 1 9 9 VAL N N 14 126.289 126.289 124.733 1.556 17668 8063 1 22 . 1 1 9 9 VAL C C 14 176.586 176.586 174.327 2.259 17668 8064 1 22 . 1 1 9 9 VAL CA C 14 61.255 61.255 59.367 1.888 17668 8065 1 22 . 1 1 9 9 VAL CB C 14 33.467 33.467 34.431 -0.964 17668 8066 1 22 . 1 1 9 9 VAL H H 14 8.930 8.930 8.787 0.143 17668 8067 1 22 . 1 1 10 10 GLY N N 15 117.539 117.539 114.895 2.644 17668 8068 1 22 . 1 1 10 10 GLY C C 15 173.997 173.997 174.321 -0.324 17668 8069 1 22 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.961 -0.716 17668 8070 1 22 . 1 1 10 10 GLY H H 15 9.351 9.351 8.701 0.650 17668 8071 1 22 . 1 1 11 11 GLY N N 16 107.149 107.149 112.910 -5.761 17668 8072 1 22 . 1 1 11 11 GLY C C 16 176.067 176.067 174.085 1.982 17668 8073 1 22 . 1 1 11 11 GLY CA C 16 45.256 45.256 44.924 0.332 17668 8074 1 22 . 1 1 11 11 GLY H H 16 8.284 8.284 8.206 0.078 17668 8075 1 22 . 1 1 12 12 MET N N 17 118.633 118.633 122.753 -4.120 17668 8076 1 22 . 1 1 12 12 MET C C 17 177.102 177.102 174.174 2.928 17668 8077 1 22 . 1 1 12 12 MET CA C 17 57.740 57.740 53.881 3.859 17668 8078 1 22 . 1 1 12 12 MET CB C 17 34.243 34.243 31.554 2.689 17668 8079 1 22 . 1 1 12 12 MET H H 17 8.509 8.509 7.315 1.194 17668 8080 1 22 . 1 1 13 13 ARG N N 18 126.836 126.836 122.999 3.837 17668 8081 1 22 . 1 1 13 13 ARG C C 18 175.032 175.032 174.853 0.179 17668 8082 1 22 . 1 1 13 13 ARG CA C 18 57.239 57.239 55.425 1.814 17668 8083 1 22 . 1 1 13 13 ARG CB C 18 32.744 32.744 28.722 4.022 17668 8084 1 22 . 1 1 13 13 ARG H H 18 10.782 10.782 8.531 2.251 17668 8085 1 22 . 1 1 14 14 CYS N N 19 114.805 114.805 117.733 -2.928 17668 8086 1 22 . 1 1 14 14 CYS CA C 19 56.217 56.217 56.739 -0.521 17668 8087 1 22 . 1 1 14 14 CYS CB C 19 30.413 30.413 31.682 -1.269 17668 8088 1 22 . 1 1 14 14 CYS H H 19 8.425 8.425 7.675 0.750 17668 8089 1 22 . 1 1 15 15 ALA CA C 20 51.257 51.257 54.910 -3.653 17668 8090 1 22 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.340 0.907 17668 8091 1 22 . 1 1 16 16 ALA N N 21 118.906 118.906 119.481 -0.575 17668 8092 1 22 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.118 0.029 17668 8093 1 22 . 1 1 16 16 ALA C C 21 180.553 180.553 178.336 2.217 17668 8094 1 22 . 1 1 16 16 ALA CA C 21 54.756 54.756 54.221 0.535 17668 8095 1 22 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.351 -0.118 17668 8096 1 22 . 1 1 17 17 CYS N N 22 121.914 121.914 115.499 6.415 17668 8097 1 22 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.821 -1.000 17668 8098 1 22 . 1 1 17 17 CYS C C 22 177.966 177.966 177.076 0.890 17668 8099 1 22 . 1 1 17 17 CYS CA C 22 64.748 64.748 58.310 6.438 17668 8100 1 22 . 1 1 17 17 CYS CB C 22 29.245 29.245 28.801 0.444 17668 8101 1 22 . 1 1 17 17 CYS H H 22 7.640 7.640 7.574 0.066 17668 8102 1 22 . 1 1 18 18 ALA N N 23 119.180 119.180 125.609 -6.429 17668 8103 1 22 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.900 -0.297 17668 8104 1 22 . 1 1 18 18 ALA C C 23 179.173 179.173 178.733 0.440 17668 8105 1 22 . 1 1 18 18 ALA CA C 23 55.258 55.258 55.670 -0.412 17668 8106 1 22 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.212 0.529 17668 8107 1 22 . 1 1 18 18 ALA H H 23 6.629 6.629 8.655 -2.026 17668 8108 1 22 . 1 1 19 19 SER N N 24 112.618 112.618 112.838 -0.220 17668 8109 1 22 . 1 1 19 19 SER HA H 24 4.147 4.147 4.234 -0.087 17668 8110 1 22 . 1 1 19 19 SER C C 24 176.764 176.764 176.630 0.134 17668 8111 1 22 . 1 1 19 19 SER CA C 24 61.259 61.259 61.502 -0.243 17668 8112 1 22 . 1 1 19 19 SER CB C 24 62.754 62.754 62.623 0.131 17668 8113 1 22 . 1 1 19 19 SER H H 24 7.752 7.752 7.938 -0.186 17668 8114 1 22 . 1 1 20 20 SER N N 25 116.992 116.992 118.263 -1.271 17668 8115 1 22 . 1 1 20 20 SER HA H 25 3.521 3.521 4.326 -0.805 17668 8116 1 22 . 1 1 20 20 SER C C 25 177.448 177.448 175.757 1.691 17668 8117 1 22 . 1 1 20 20 SER CA C 25 61.870 61.870 60.761 1.109 17668 8118 1 22 . 1 1 20 20 SER CB C 25 62.751 62.751 63.191 -0.440 17668 8119 1 22 . 1 1 20 20 SER H H 25 7.989 7.989 7.863 0.126 17668 8120 1 22 . 1 1 21 21 ILE N N 26 122.461 122.461 123.871 -1.410 17668 8121 1 22 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.771 -0.441 17668 8122 1 22 . 1 1 21 21 ILE C C 26 176.930 176.930 177.299 -0.369 17668 8123 1 22 . 1 1 21 21 ILE CA C 26 66.255 66.255 65.214 1.041 17668 8124 1 22 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.111 0.126 17668 8125 1 22 . 1 1 21 21 ILE H H 26 7.583 7.583 7.599 -0.016 17668 8126 1 22 . 1 1 22 22 GLU N N 27 116.992 116.992 119.247 -2.255 17668 8127 1 22 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.889 -0.423 17668 8128 1 22 . 1 1 22 22 GLU C C 27 178.916 178.916 178.977 -0.061 17668 8129 1 22 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.615 1.138 17668 8130 1 22 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.424 0.283 17668 8131 1 22 . 1 1 22 22 GLU H H 27 8.004 8.004 8.551 -0.547 17668 8132 1 22 . 1 1 23 23 ARG N N 28 114.805 114.805 119.526 -4.721 17668 8133 1 22 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.086 -0.130 17668 8134 1 22 . 1 1 23 23 ARG C C 28 179.517 179.517 177.549 1.968 17668 8135 1 22 . 1 1 23 23 ARG CA C 28 58.752 58.752 59.060 -0.308 17668 8136 1 22 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.341 0.405 17668 8137 1 22 . 1 1 23 23 ARG H H 28 8.256 8.256 7.852 0.404 17668 8138 1 22 . 1 1 24 24 ALA N N 29 118.633 118.633 120.315 -1.682 17668 8139 1 22 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.269 -0.312 17668 8140 1 22 . 1 1 24 24 ALA C C 29 181.073 181.073 179.972 1.101 17668 8141 1 22 . 1 1 24 24 ALA CA C 29 54.749 54.749 54.185 0.564 17668 8142 1 22 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.503 0.226 17668 8143 1 22 . 1 1 24 24 ALA H H 29 7.555 7.555 7.784 -0.229 17668 8144 1 22 . 1 1 25 25 LEU N N 30 115.899 115.899 120.291 -4.392 17668 8145 1 22 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.063 -0.079 17668 8146 1 22 . 1 1 25 25 LEU C C 30 178.658 178.658 178.710 -0.052 17668 8147 1 22 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.687 -0.466 17668 8148 1 22 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.982 -0.734 17668 8149 1 22 . 1 1 25 25 LEU H H 30 7.976 7.976 8.466 -0.490 17668 8150 1 22 . 1 1 26 26 GLU N N 31 115.899 115.899 115.822 0.077 17668 8151 1 22 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.117 -0.379 17668 8152 1 22 . 1 1 26 26 GLU C C 31 177.793 177.793 177.631 0.162 17668 8153 1 22 . 1 1 26 26 GLU CA C 31 58.727 58.727 58.625 0.102 17668 8154 1 22 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.428 -0.187 17668 8155 1 22 . 1 1 26 26 GLU H H 31 8.116 8.116 7.805 0.311 17668 8156 1 22 . 1 1 27 27 ARG N N 32 114.258 114.258 117.791 -3.533 17668 8157 1 22 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.415 -0.268 17668 8158 1 22 . 1 1 27 27 ARG C C 32 176.757 176.757 176.990 -0.233 17668 8159 1 22 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.959 0.291 17668 8160 1 22 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.217 -0.473 17668 8161 1 22 . 1 1 27 27 ARG H H 32 6.854 6.854 7.645 -0.791 17668 8162 1 22 . 1 1 28 28 LEU N N 33 123.008 123.008 121.962 1.046 17668 8163 1 22 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.270 -0.068 17668 8164 1 22 . 1 1 28 28 LEU C C 33 176.412 176.412 177.051 -0.639 17668 8165 1 22 . 1 1 28 28 LEU CA C 33 54.249 54.249 54.961 -0.712 17668 8166 1 22 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.364 -0.625 17668 8167 1 22 . 1 1 28 28 LEU H H 33 7.501 7.501 7.503 -0.002 17668 8168 1 22 . 1 1 29 29 LYS N N 34 127.383 127.383 124.239 3.144 17668 8169 1 22 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.169 -0.295 17668 8170 1 22 . 1 1 29 29 LYS C C 34 176.412 176.412 177.461 -1.049 17668 8171 1 22 . 1 1 29 29 LYS CA C 34 58.242 58.242 57.758 0.484 17668 8172 1 22 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.541 -0.794 17668 8173 1 22 . 1 1 29 29 LYS H H 34 8.341 8.341 8.631 -0.290 17668 8174 1 22 . 1 1 30 30 GLY N N 35 111.524 111.524 111.387 0.137 17668 8175 1 22 . 1 1 30 30 GLY C C 35 175.715 175.715 174.000 1.715 17668 8176 1 22 . 1 1 30 30 GLY CA C 35 45.488 45.488 44.916 0.571 17668 8177 1 22 . 1 1 30 30 GLY H H 35 8.509 8.509 8.537 -0.028 17668 8178 1 22 . 1 1 31 31 VAL N N 36 122.461 122.461 119.762 2.699 17668 8179 1 22 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.353 -0.479 17668 8180 1 22 . 1 1 31 31 VAL C C 36 175.032 175.032 174.668 0.364 17668 8181 1 22 . 1 1 31 31 VAL CA C 36 63.757 63.757 62.057 1.700 17668 8182 1 22 . 1 1 31 31 VAL CB C 36 31.250 31.250 32.560 -1.310 17668 8183 1 22 . 1 1 31 31 VAL H H 36 7.892 7.892 7.406 0.486 17668 8184 1 22 . 1 1 32 32 ALA N N 37 131.758 131.758 129.187 2.571 17668 8185 1 22 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.661 -0.296 17668 8186 1 22 . 1 1 32 32 ALA C C 37 177.619 177.619 176.657 0.962 17668 8187 1 22 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.125 1.121 17668 8188 1 22 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.693 -0.971 17668 8189 1 22 . 1 1 32 32 ALA H H 37 9.042 9.042 9.014 0.028 17668 8190 1 22 . 1 1 33 33 GLU N N 38 114.258 114.258 117.513 -3.255 17668 8191 1 22 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.520 -0.019 17668 8192 1 22 . 1 1 33 33 GLU C C 38 173.651 173.651 173.833 -0.182 17668 8193 1 22 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.649 -1.072 17668 8194 1 22 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.563 1.103 17668 8195 1 22 . 1 1 33 33 GLU H H 38 7.555 7.555 7.814 -0.259 17668 8196 1 22 . 1 1 34 34 ALA N N 39 125.742 125.742 126.836 -1.094 17668 8197 1 22 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.001 0.100 17668 8198 1 22 . 1 1 34 34 ALA C C 39 175.033 175.033 175.560 -0.527 17668 8199 1 22 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.550 -0.270 17668 8200 1 22 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.218 1.020 17668 8201 1 22 . 1 1 34 34 ALA H H 39 9.014 9.014 8.427 0.587 17668 8202 1 22 . 1 1 35 35 SER N N 40 113.711 113.711 114.697 -0.986 17668 8203 1 22 . 1 1 35 35 SER HA H 40 4.855 4.855 4.907 -0.052 17668 8204 1 22 . 1 1 35 35 SER C C 40 173.824 173.824 172.491 1.333 17668 8205 1 22 . 1 1 35 35 SER CA C 40 56.254 56.254 58.090 -1.835 17668 8206 1 22 . 1 1 35 35 SER CB C 40 65.255 65.255 66.042 -0.787 17668 8207 1 22 . 1 1 35 35 SER H H 40 8.481 8.481 9.124 -0.643 17668 8208 1 22 . 1 1 36 36 VAL N N 41 129.570 129.570 121.934 7.636 17668 8209 1 22 . 1 1 36 36 VAL C C 41 175.204 175.204 176.057 -0.853 17668 8210 1 22 . 1 1 36 36 VAL CA C 41 60.265 60.265 60.419 -0.154 17668 8211 1 22 . 1 1 36 36 VAL CB C 41 33.743 33.743 33.373 0.370 17668 8212 1 22 . 1 1 36 36 VAL H H 41 10.164 10.164 9.169 0.995 17668 8213 1 22 . 1 1 37 37 THR N N 42 123.008 123.008 123.836 -0.828 17668 8214 1 22 . 1 1 37 37 THR HA H 42 4.392 4.392 4.666 -0.274 17668 8215 1 22 . 1 1 37 37 THR C C 42 175.030 175.030 174.908 0.122 17668 8216 1 22 . 1 1 37 37 THR CA C 42 60.760 60.760 60.908 -0.149 17668 8217 1 22 . 1 1 37 37 THR CB C 42 69.255 69.255 69.293 -0.038 17668 8218 1 22 . 1 1 37 37 THR H H 42 8.453 8.453 8.651 -0.198 17668 8219 1 22 . 1 1 38 38 VAL N N 43 128.476 128.476 127.698 0.778 17668 8220 1 22 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.561 -0.259 17668 8221 1 22 . 1 1 38 38 VAL C C 43 176.067 176.067 178.031 -1.964 17668 8222 1 22 . 1 1 38 38 VAL CA C 43 63.268 63.268 66.288 -3.020 17668 8223 1 22 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.823 0.404 17668 8224 1 22 . 1 1 38 38 VAL H H 43 8.789 8.789 8.788 0.001 17668 8225 1 22 . 1 1 39 39 ALA N N 44 119.180 119.180 122.464 -3.284 17668 8226 1 22 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.146 -0.162 17668 8227 1 22 . 1 1 39 39 ALA C C 44 179.167 179.167 178.371 0.796 17668 8228 1 22 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.668 0.557 17668 8229 1 22 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.699 0.296 17668 8230 1 22 . 1 1 39 39 ALA H H 44 8.509 8.509 8.490 0.019 17668 8231 1 22 . 1 1 40 40 THR N N 45 135.586 135.586 107.439 28.147 17668 8232 1 22 . 1 1 40 40 THR HA H 45 4.338 4.338 4.376 -0.038 17668 8233 1 22 . 1 1 40 40 THR C C 45 176.237 176.237 174.432 1.805 17668 8234 1 22 . 1 1 40 40 THR CA C 45 60.254 60.254 61.141 -0.887 17668 8235 1 22 . 1 1 40 40 THR CB C 45 70.261 70.261 69.713 0.548 17668 8236 1 22 . 1 1 40 40 THR H H 45 6.713 6.713 7.637 -0.924 17668 8237 1 22 . 1 1 41 41 GLY N N 46 110.977 110.977 111.165 -0.188 17668 8238 1 22 . 1 1 41 41 GLY C C 46 172.096 172.096 173.599 -1.503 17668 8239 1 22 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.565 0.660 17668 8240 1 22 . 1 1 41 41 GLY H H 46 7.835 7.835 7.556 0.279 17668 8241 1 22 . 1 1 42 42 ARG N N 47 118.086 118.086 118.421 -0.335 17668 8242 1 22 . 1 1 42 42 ARG C C 47 175.032 175.032 174.909 0.123 17668 8243 1 22 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.432 1.818 17668 8244 1 22 . 1 1 42 42 ARG CB C 47 31.739 31.739 34.202 -2.462 17668 8245 1 22 . 1 1 42 42 ARG H H 47 7.303 7.303 8.112 -0.809 17668 8246 1 22 . 1 1 43 43 LEU N N 48 129.023 129.023 119.376 9.647 17668 8247 1 22 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.198 -0.179 17668 8248 1 22 . 1 1 43 43 LEU C C 48 175.033 175.033 175.749 -0.716 17668 8249 1 22 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.670 -0.420 17668 8250 1 22 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.922 -1.841 17668 8251 1 22 . 1 1 43 43 LEU H H 48 8.986 8.986 8.883 0.103 17668 8252 1 22 . 1 1 44 44 THR N N 49 123.008 123.008 116.596 6.412 17668 8253 1 22 . 1 1 44 44 THR HA H 49 4.964 4.964 5.351 -0.387 17668 8254 1 22 . 1 1 44 44 THR C C 49 173.475 173.475 172.794 0.681 17668 8255 1 22 . 1 1 44 44 THR CA C 49 61.752 61.752 61.565 0.187 17668 8256 1 22 . 1 1 44 44 THR CB C 49 69.756 69.756 71.234 -1.478 17668 8257 1 22 . 1 1 44 44 THR H H 49 9.154 9.154 8.638 0.516 17668 8258 1 22 . 1 1 45 45 VAL N N 50 125.195 125.195 125.588 -0.393 17668 8259 1 22 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.745 0.437 17668 8260 1 22 . 1 1 45 45 VAL C C 50 172.614 172.614 173.181 -0.567 17668 8261 1 22 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.198 -1.436 17668 8262 1 22 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.383 -0.931 17668 8263 1 22 . 1 1 45 45 VAL H H 50 9.071 9.071 9.195 -0.124 17668 8264 1 22 . 1 1 46 46 THR N N 51 124.648 124.648 125.004 -0.356 17668 8265 1 22 . 1 1 46 46 THR HA H 51 5.782 5.782 5.132 0.650 17668 8266 1 22 . 1 1 46 46 THR C C 51 174.684 174.684 173.420 1.264 17668 8267 1 22 . 1 1 46 46 THR CA C 51 61.248 61.248 60.769 0.479 17668 8268 1 22 . 1 1 46 46 THR CB C 51 70.265 70.265 69.310 0.955 17668 8269 1 22 . 1 1 46 46 THR H H 51 8.930 8.930 8.834 0.096 17668 8270 1 22 . 1 1 47 47 TYR N N 52 124.648 124.648 122.802 1.846 17668 8271 1 22 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.348 -0.057 17668 8272 1 22 . 1 1 47 47 TYR C C 52 171.408 171.408 173.144 -1.736 17668 8273 1 22 . 1 1 47 47 TYR CA C 52 55.245 55.245 54.686 0.559 17668 8274 1 22 . 1 1 47 47 TYR CB C 52 41.754 41.754 40.081 1.673 17668 8275 1 22 . 1 1 47 47 TYR H H 52 9.603 9.603 8.349 1.254 17668 8276 1 22 . 1 1 48 48 ASP N N 53 119.180 119.180 121.449 -2.269 17668 8277 1 22 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.425 -0.460 17668 8278 1 22 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.238 -0.229 17668 8279 1 22 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.633 -1.075 17668 8280 1 22 . 1 1 48 48 ASP H H 53 8.481 8.481 8.782 -0.301 17668 8281 1 22 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.595 0.778 17668 8282 1 22 . 1 1 49 49 PRO C C 54 178.311 178.311 176.464 1.847 17668 8283 1 22 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.519 -0.256 17668 8284 1 22 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.567 0.676 17668 8285 1 22 . 1 1 50 50 LYS N N 55 116.992 116.992 117.145 -0.153 17668 8286 1 22 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.492 -0.372 17668 8287 1 22 . 1 1 50 50 LYS C C 55 177.802 177.802 177.401 0.401 17668 8288 1 22 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.619 1.107 17668 8289 1 22 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.585 -1.720 17668 8290 1 22 . 1 1 50 50 LYS H H 55 8.284 8.284 8.131 0.153 17668 8291 1 22 . 1 1 51 51 GLN N N 56 115.352 115.352 118.545 -3.193 17668 8292 1 22 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.285 0.026 17668 8293 1 22 . 1 1 51 51 GLN C C 56 175.031 175.031 176.770 -1.739 17668 8294 1 22 . 1 1 51 51 GLN CA C 56 56.756 56.756 57.192 -0.436 17668 8295 1 22 . 1 1 51 51 GLN CB C 56 33.752 33.752 29.657 4.095 17668 8296 1 22 . 1 1 51 51 GLN H H 56 7.864 7.864 8.614 -0.750 17668 8297 1 22 . 1 1 52 52 VAL N N 57 120.273 120.273 114.058 6.215 17668 8298 1 22 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.382 0.011 17668 8299 1 22 . 1 1 52 52 VAL C C 57 170.718 170.718 173.953 -3.235 17668 8300 1 22 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.881 -0.109 17668 8301 1 22 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.328 -0.100 17668 8302 1 22 . 1 1 52 52 VAL H H 57 8.172 8.172 8.100 0.072 17668 8303 1 22 . 1 1 53 53 SER N N 58 116.992 116.992 113.312 3.680 17668 8304 1 22 . 1 1 53 53 SER C C 58 175.377 175.377 174.944 0.433 17668 8305 1 22 . 1 1 53 53 SER CA C 58 55.251 55.251 57.087 -1.836 17668 8306 1 22 . 1 1 53 53 SER CB C 58 66.750 66.750 65.328 1.422 17668 8307 1 22 . 1 1 53 53 SER H H 58 7.611 7.611 7.976 -0.365 17668 8308 1 22 . 1 1 54 54 GLU N N 59 120.820 120.820 121.324 -0.504 17668 8309 1 22 . 1 1 54 54 GLU HA H 59 3.358 3.358 4.007 -0.649 17668 8310 1 22 . 1 1 54 54 GLU C C 59 178.308 178.308 177.958 0.350 17668 8311 1 22 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.719 1.024 17668 8312 1 22 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.909 0.331 17668 8313 1 22 . 1 1 54 54 GLU H H 59 8.930 8.930 8.738 0.192 17668 8314 1 22 . 1 1 55 55 ILE N N 60 118.086 118.086 121.076 -2.990 17668 8315 1 22 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.707 0.031 17668 8316 1 22 . 1 1 55 55 ILE C C 60 177.448 177.448 178.224 -0.776 17668 8317 1 22 . 1 1 55 55 ILE CA C 60 63.749 63.749 63.788 -0.039 17668 8318 1 22 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.619 0.896 17668 8319 1 22 . 1 1 55 55 ILE H H 60 7.583 7.583 7.805 -0.222 17668 8320 1 22 . 1 1 56 56 THR N N 61 119.727 119.727 114.842 4.885 17668 8321 1 22 . 1 1 56 56 THR HA H 61 3.766 3.766 3.992 -0.226 17668 8322 1 22 . 1 1 56 56 THR C C 61 177.104 177.104 176.546 0.558 17668 8323 1 22 . 1 1 56 56 THR CA C 61 66.264 66.264 67.189 -0.924 17668 8324 1 22 . 1 1 56 56 THR CB C 61 68.245 68.245 68.533 -0.288 17668 8325 1 22 . 1 1 56 56 THR H H 61 7.471 7.471 7.973 -0.502 17668 8326 1 22 . 1 1 57 57 ILE N N 62 121.367 121.367 121.144 0.223 17668 8327 1 22 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.977 -0.946 17668 8328 1 22 . 1 1 57 57 ILE C C 62 176.756 176.756 177.030 -0.274 17668 8329 1 22 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.989 2.771 17668 8330 1 22 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.962 0.288 17668 8331 1 22 . 1 1 57 57 ILE H H 62 7.259 7.259 7.466 -0.207 17668 8332 1 22 . 1 1 58 58 GLN N N 63 117.539 117.539 120.625 -3.086 17668 8333 1 22 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.899 -0.297 17668 8334 1 22 . 1 1 58 58 GLN C C 63 179.172 179.172 178.148 1.024 17668 8335 1 22 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.932 -0.177 17668 8336 1 22 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.635 -0.901 17668 8337 1 22 . 1 1 58 58 GLN H H 63 7.976 7.976 8.655 -0.679 17668 8338 1 22 . 1 1 59 59 GLU N N 64 119.180 119.180 116.778 2.402 17668 8339 1 22 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.089 -0.215 17668 8340 1 22 . 1 1 59 59 GLU C C 64 179.866 179.866 178.144 1.722 17668 8341 1 22 . 1 1 59 59 GLU CA C 64 59.259 59.259 58.519 0.740 17668 8342 1 22 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.450 0.250 17668 8343 1 22 . 1 1 59 59 GLU H H 64 8.622 8.622 8.051 0.571 17668 8344 1 22 . 1 1 60 60 ARG N N 65 119.727 119.727 119.171 0.556 17668 8345 1 22 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.283 -0.190 17668 8346 1 22 . 1 1 60 60 ARG C C 65 178.310 178.310 178.012 0.298 17668 8347 1 22 . 1 1 60 60 ARG CA C 65 57.256 57.256 57.665 -0.409 17668 8348 1 22 . 1 1 60 60 ARG CB C 65 28.748 28.748 30.733 -1.985 17668 8349 1 22 . 1 1 60 60 ARG H H 65 7.891 7.891 7.479 0.412 17668 8350 1 22 . 1 1 61 61 ILE N N 66 118.086 118.086 120.031 -1.945 17668 8351 1 22 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.850 -0.303 17668 8352 1 22 . 1 1 61 61 ILE C C 66 178.311 178.311 177.722 0.589 17668 8353 1 22 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.485 -0.740 17668 8354 1 22 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.932 -0.251 17668 8355 1 22 . 1 1 61 61 ILE H H 66 7.443 7.443 7.937 -0.494 17668 8356 1 22 . 1 1 62 62 ALA N N 67 121.914 121.914 121.216 0.698 17668 8357 1 22 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.455 0.074 17668 8358 1 22 . 1 1 62 62 ALA C C 67 182.626 182.626 178.548 4.078 17668 8359 1 22 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.368 -0.118 17668 8360 1 22 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.629 -0.894 17668 8361 1 22 . 1 1 62 62 ALA H H 67 8.116 8.116 8.461 -0.345 17668 8362 1 22 . 1 1 63 63 ALA N N 68 121.367 121.367 120.862 0.505 17668 8363 1 22 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.240 -0.228 17668 8364 1 22 . 1 1 63 63 ALA C C 68 179.690 179.690 179.393 0.297 17668 8365 1 22 . 1 1 63 63 ALA CA C 68 54.259 54.259 53.693 0.566 17668 8366 1 22 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.667 -0.446 17668 8367 1 22 . 1 1 63 63 ALA H H 68 7.948 7.948 7.171 0.777 17668 8368 1 22 . 1 1 64 64 LEU N N 69 116.445 116.445 117.137 -0.692 17668 8369 1 22 . 1 1 64 64 LEU HA H 69 4.147 4.147 3.987 0.160 17668 8370 1 22 . 1 1 64 64 LEU C C 69 176.931 176.931 177.579 -0.648 17668 8371 1 22 . 1 1 64 64 LEU CA C 69 55.245 55.245 56.273 -1.028 17668 8372 1 22 . 1 1 64 64 LEU CB C 69 43.241 43.241 42.263 0.978 17668 8373 1 22 . 1 1 64 64 LEU H H 69 7.247 7.247 7.848 -0.601 17668 8374 1 22 . 1 1 65 65 GLY N N 70 103.867 103.867 103.215 0.652 17668 8375 1 22 . 1 1 65 65 GLY C C 70 173.651 173.651 173.813 -0.162 17668 8376 1 22 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.236 0.236 17668 8377 1 22 . 1 1 65 65 GLY H H 70 7.668 7.668 7.436 0.232 17668 8378 1 22 . 1 1 66 66 TYR N N 71 119.180 119.180 118.050 1.130 17668 8379 1 22 . 1 1 66 66 TYR C C 71 174.513 174.513 175.138 -0.625 17668 8380 1 22 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.056 0.964 17668 8381 1 22 . 1 1 66 66 TYR CB C 71 39.502 39.502 40.650 -1.148 17668 8382 1 22 . 1 1 66 66 TYR H H 71 6.798 6.798 7.715 -0.917 17668 8383 1 22 . 1 1 67 67 THR N N 72 109.883 109.883 112.384 -2.501 17668 8384 1 22 . 1 1 67 67 THR C C 72 173.998 173.998 173.428 0.570 17668 8385 1 22 . 1 1 67 67 THR CA C 72 60.249 60.249 60.794 -0.544 17668 8386 1 22 . 1 1 67 67 THR CB C 72 71.254 71.254 70.862 0.391 17668 8387 1 22 . 1 1 67 67 THR H H 72 8.144 8.144 8.560 -0.416 17668 8388 1 22 . 1 1 68 68 LEU N N 73 122.461 122.461 121.546 0.915 17668 8389 1 22 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.678 0.368 17668 8390 1 22 . 1 1 68 68 LEU C C 73 174.168 174.168 176.094 -1.926 17668 8391 1 22 . 1 1 68 68 LEU CA C 73 53.252 53.252 54.007 -0.755 17668 8392 1 22 . 1 1 68 68 LEU CB C 73 43.743 43.743 45.224 -1.481 17668 8393 1 22 . 1 1 68 68 LEU H H 73 8.397 8.397 8.441 -0.044 17668 8394 1 22 . 1 1 69 69 ALA N N 74 125.195 125.195 127.499 -2.304 17668 8395 1 22 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.687 -0.349 17668 8396 1 22 . 1 1 69 69 ALA C C 74 176.931 176.931 175.767 1.164 17668 8397 1 22 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.554 3.700 17668 8398 1 22 . 1 1 69 69 ALA CB C 74 18.225 18.225 20.242 -2.017 17668 8399 1 22 . 1 1 69 69 ALA H H 74 8.200 8.200 8.727 -0.527 17668 8400 1 22 . 1 1 70 70 GLU N N 75 120.820 120.820 124.154 -3.334 17668 8401 1 22 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.566 -0.092 17668 8402 1 22 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.824 1.635 17668 8403 1 22 . 1 1 70 70 GLU CB C 75 29.591 29.591 29.724 -0.134 17668 8404 1 22 . 1 1 70 70 GLU H H 75 8.397 8.397 8.573 -0.176 17668 8405 1 23 . 1 1 2 2 LEU N N 7 119.727 119.727 117.388 2.339 17668 8406 1 23 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.763 -0.425 17668 8407 1 23 . 1 1 2 2 LEU C C 7 176.410 176.410 176.465 -0.055 17668 8408 1 23 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.876 -0.866 17668 8409 1 23 . 1 1 2 2 LEU CB C 7 43.226 43.226 42.510 0.716 17668 8410 1 23 . 1 1 2 2 LEU H H 7 7.919 7.919 8.397 -0.478 17668 8411 1 23 . 1 1 3 3 LYS N N 8 123.008 123.008 120.191 2.817 17668 8412 1 23 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.605 -0.240 17668 8413 1 23 . 1 1 3 3 LYS C C 8 174.512 174.512 174.859 -0.347 17668 8414 1 23 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.898 -0.157 17668 8415 1 23 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.240 0.482 17668 8416 1 23 . 1 1 3 3 LYS H H 8 8.650 8.650 8.669 -0.019 17668 8417 1 23 . 1 1 4 4 THR N N 9 120.273 120.273 117.963 2.310 17668 8418 1 23 . 1 1 4 4 THR HA H 9 5.372 5.372 4.612 0.760 17668 8419 1 23 . 1 1 4 4 THR C C 9 174.170 174.170 174.337 -0.167 17668 8420 1 23 . 1 1 4 4 THR CA C 9 61.756 61.756 62.692 -0.936 17668 8421 1 23 . 1 1 4 4 THR CB C 9 70.757 70.757 69.310 1.447 17668 8422 1 23 . 1 1 4 4 THR H H 9 8.481 8.481 8.380 0.101 17668 8423 1 23 . 1 1 5 5 GLN N N 10 126.836 126.836 122.476 4.360 17668 8424 1 23 . 1 1 5 5 GLN C C 10 173.651 173.651 173.458 0.193 17668 8425 1 23 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.046 -0.810 17668 8426 1 23 . 1 1 5 5 GLN CB C 10 34.484 34.484 33.337 1.147 17668 8427 1 23 . 1 1 5 5 GLN H H 10 9.295 9.295 8.729 0.566 17668 8428 1 23 . 1 1 6 6 GLN N N 11 121.367 121.367 124.984 -3.617 17668 8429 1 23 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.600 0.046 17668 8430 1 23 . 1 1 6 6 GLN C C 11 176.069 176.069 174.615 1.454 17668 8431 1 23 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.445 -0.685 17668 8432 1 23 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.885 -0.648 17668 8433 1 23 . 1 1 6 6 GLN H H 11 8.425 8.425 8.709 -0.283 17668 8434 1 23 . 1 1 7 7 MET N N 12 120.273 120.273 120.348 -0.075 17668 8435 1 23 . 1 1 7 7 MET C C 12 173.824 173.824 173.823 0.001 17668 8436 1 23 . 1 1 7 7 MET CA C 12 54.598 54.598 54.075 0.522 17668 8437 1 23 . 1 1 7 7 MET CB C 12 37.258 37.258 35.878 1.380 17668 8438 1 23 . 1 1 7 7 MET H H 12 9.294 9.294 8.940 0.354 17668 8439 1 23 . 1 1 8 8 GLN N N 13 122.461 122.461 119.085 3.376 17668 8440 1 23 . 1 1 8 8 GLN C C 13 174.863 174.863 175.237 -0.374 17668 8441 1 23 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.786 -1.033 17668 8442 1 23 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.573 -0.331 17668 8443 1 23 . 1 1 8 8 GLN H H 13 8.790 8.790 8.507 0.283 17668 8444 1 23 . 1 1 9 9 VAL N N 14 126.289 126.289 123.500 2.789 17668 8445 1 23 . 1 1 9 9 VAL C C 14 176.586 176.586 174.970 1.616 17668 8446 1 23 . 1 1 9 9 VAL CA C 14 61.255 61.255 61.231 0.024 17668 8447 1 23 . 1 1 9 9 VAL CB C 14 33.467 33.467 34.115 -0.648 17668 8448 1 23 . 1 1 9 9 VAL H H 14 8.930 8.930 8.958 -0.028 17668 8449 1 23 . 1 1 10 10 GLY N N 15 117.539 117.539 114.698 2.841 17668 8450 1 23 . 1 1 10 10 GLY C C 15 173.997 173.997 174.630 -0.633 17668 8451 1 23 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.763 -0.518 17668 8452 1 23 . 1 1 10 10 GLY H H 15 9.351 9.351 8.618 0.733 17668 8453 1 23 . 1 1 11 11 GLY N N 16 107.149 107.149 111.791 -4.642 17668 8454 1 23 . 1 1 11 11 GLY C C 16 176.067 176.067 174.487 1.580 17668 8455 1 23 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.120 0.136 17668 8456 1 23 . 1 1 11 11 GLY H H 16 8.284 8.284 8.586 -0.302 17668 8457 1 23 . 1 1 12 12 MET N N 17 118.633 118.633 121.979 -3.346 17668 8458 1 23 . 1 1 12 12 MET C C 17 177.102 177.102 174.881 2.221 17668 8459 1 23 . 1 1 12 12 MET CA C 17 57.740 57.740 56.290 1.450 17668 8460 1 23 . 1 1 12 12 MET CB C 17 34.243 34.243 32.367 1.876 17668 8461 1 23 . 1 1 12 12 MET H H 17 8.509 8.509 7.390 1.119 17668 8462 1 23 . 1 1 13 13 ARG N N 18 126.836 126.836 123.682 3.154 17668 8463 1 23 . 1 1 13 13 ARG C C 18 175.032 175.032 176.556 -1.524 17668 8464 1 23 . 1 1 13 13 ARG CA C 18 57.239 57.239 54.935 2.304 17668 8465 1 23 . 1 1 13 13 ARG CB C 18 32.744 32.744 33.581 -0.838 17668 8466 1 23 . 1 1 13 13 ARG H H 18 10.782 10.782 8.119 2.663 17668 8467 1 23 . 1 1 14 14 CYS N N 19 114.805 114.805 120.362 -5.557 17668 8468 1 23 . 1 1 14 14 CYS CA C 19 56.217 56.217 61.567 -5.350 17668 8469 1 23 . 1 1 14 14 CYS CB C 19 30.413 30.413 27.351 3.062 17668 8470 1 23 . 1 1 14 14 CYS H H 19 8.425 8.425 8.889 -0.464 17668 8471 1 23 . 1 1 15 15 ALA CA C 20 51.257 51.257 54.680 -3.423 17668 8472 1 23 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.447 0.800 17668 8473 1 23 . 1 1 16 16 ALA N N 21 118.906 118.906 116.841 2.065 17668 8474 1 23 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.291 -0.144 17668 8475 1 23 . 1 1 16 16 ALA C C 21 180.553 180.553 178.223 2.330 17668 8476 1 23 . 1 1 16 16 ALA CA C 21 54.756 54.756 52.688 2.068 17668 8477 1 23 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.816 -0.583 17668 8478 1 23 . 1 1 17 17 CYS N N 22 121.914 121.914 121.650 0.264 17668 8479 1 23 . 1 1 17 17 CYS HA H 22 3.821 3.821 3.936 -0.115 17668 8480 1 23 . 1 1 17 17 CYS C C 22 177.966 177.966 176.097 1.869 17668 8481 1 23 . 1 1 17 17 CYS CA C 22 64.748 64.748 62.245 2.503 17668 8482 1 23 . 1 1 17 17 CYS CB C 22 29.245 29.245 27.183 2.062 17668 8483 1 23 . 1 1 17 17 CYS H H 22 7.640 7.640 8.370 -0.730 17668 8484 1 23 . 1 1 18 18 ALA N N 23 119.180 119.180 118.872 0.308 17668 8485 1 23 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.979 -0.376 17668 8486 1 23 . 1 1 18 18 ALA C C 23 179.173 179.173 177.575 1.598 17668 8487 1 23 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.448 0.810 17668 8488 1 23 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.400 0.341 17668 8489 1 23 . 1 1 18 18 ALA H H 23 6.629 6.629 7.651 -1.022 17668 8490 1 23 . 1 1 19 19 SER N N 24 112.618 112.618 113.242 -0.624 17668 8491 1 23 . 1 1 19 19 SER HA H 24 4.147 4.147 4.473 -0.326 17668 8492 1 23 . 1 1 19 19 SER C C 24 176.764 176.764 176.220 0.544 17668 8493 1 23 . 1 1 19 19 SER CA C 24 61.259 61.259 60.963 0.296 17668 8494 1 23 . 1 1 19 19 SER CB C 24 62.754 62.754 64.717 -1.963 17668 8495 1 23 . 1 1 19 19 SER H H 24 7.752 7.752 7.746 0.006 17668 8496 1 23 . 1 1 20 20 SER N N 25 116.992 116.992 120.037 -3.045 17668 8497 1 23 . 1 1 20 20 SER HA H 25 3.521 3.521 4.203 -0.682 17668 8498 1 23 . 1 1 20 20 SER C C 25 177.448 177.448 176.467 0.981 17668 8499 1 23 . 1 1 20 20 SER CA C 25 61.870 61.870 61.932 -0.062 17668 8500 1 23 . 1 1 20 20 SER CB C 25 62.751 62.751 63.167 -0.416 17668 8501 1 23 . 1 1 20 20 SER H H 25 7.989 7.989 8.354 -0.365 17668 8502 1 23 . 1 1 21 21 ILE N N 26 122.461 122.461 122.238 0.223 17668 8503 1 23 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.735 -0.405 17668 8504 1 23 . 1 1 21 21 ILE C C 26 176.930 176.930 177.347 -0.417 17668 8505 1 23 . 1 1 21 21 ILE CA C 26 66.255 66.255 64.437 1.818 17668 8506 1 23 . 1 1 21 21 ILE CB C 26 38.237 38.237 37.915 0.322 17668 8507 1 23 . 1 1 21 21 ILE H H 26 7.583 7.583 8.418 -0.835 17668 8508 1 23 . 1 1 22 22 GLU N N 27 116.992 116.992 119.333 -2.341 17668 8509 1 23 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.958 -0.492 17668 8510 1 23 . 1 1 22 22 GLU C C 27 178.916 178.916 178.931 -0.015 17668 8511 1 23 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.282 1.471 17668 8512 1 23 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.620 0.087 17668 8513 1 23 . 1 1 22 22 GLU H H 27 8.004 8.004 8.145 -0.141 17668 8514 1 23 . 1 1 23 23 ARG N N 28 114.805 114.805 118.477 -3.672 17668 8515 1 23 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.134 -0.178 17668 8516 1 23 . 1 1 23 23 ARG C C 28 179.517 179.517 177.715 1.802 17668 8517 1 23 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.756 -0.004 17668 8518 1 23 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.320 0.426 17668 8519 1 23 . 1 1 23 23 ARG H H 28 8.256 8.256 8.285 -0.029 17668 8520 1 23 . 1 1 24 24 ALA N N 29 118.633 118.633 120.910 -2.277 17668 8521 1 23 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.357 -0.400 17668 8522 1 23 . 1 1 24 24 ALA C C 29 181.073 181.073 179.530 1.543 17668 8523 1 23 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.736 1.013 17668 8524 1 23 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.846 -0.117 17668 8525 1 23 . 1 1 24 24 ALA H H 29 7.555 7.555 7.669 -0.114 17668 8526 1 23 . 1 1 25 25 LEU N N 30 115.899 115.899 120.623 -4.724 17668 8527 1 23 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.039 -0.055 17668 8528 1 23 . 1 1 25 25 LEU C C 30 178.658 178.658 178.127 0.531 17668 8529 1 23 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.510 -0.288 17668 8530 1 23 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.950 -0.702 17668 8531 1 23 . 1 1 25 25 LEU H H 30 7.976 7.976 7.970 0.006 17668 8532 1 23 . 1 1 26 26 GLU N N 31 115.899 115.899 114.470 1.429 17668 8533 1 23 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.218 -0.480 17668 8534 1 23 . 1 1 26 26 GLU C C 31 177.793 177.793 177.572 0.221 17668 8535 1 23 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.837 0.890 17668 8536 1 23 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.582 -0.342 17668 8537 1 23 . 1 1 26 26 GLU H H 31 8.116 8.116 7.993 0.123 17668 8538 1 23 . 1 1 27 27 ARG N N 32 114.258 114.258 118.361 -4.103 17668 8539 1 23 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.476 -0.329 17668 8540 1 23 . 1 1 27 27 ARG C C 32 176.757 176.757 177.145 -0.388 17668 8541 1 23 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.077 1.173 17668 8542 1 23 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.012 -0.268 17668 8543 1 23 . 1 1 27 27 ARG H H 32 6.854 6.854 7.881 -1.027 17668 8544 1 23 . 1 1 28 28 LEU N N 33 123.008 123.008 121.969 1.039 17668 8545 1 23 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.395 -0.193 17668 8546 1 23 . 1 1 28 28 LEU C C 33 176.412 176.412 177.349 -0.937 17668 8547 1 23 . 1 1 28 28 LEU CA C 33 54.249 54.249 54.401 -0.152 17668 8548 1 23 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.183 -0.444 17668 8549 1 23 . 1 1 28 28 LEU H H 33 7.501 7.501 7.480 0.021 17668 8550 1 23 . 1 1 29 29 LYS N N 34 127.383 127.383 123.512 3.871 17668 8551 1 23 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.031 -0.157 17668 8552 1 23 . 1 1 29 29 LYS C C 34 176.412 176.412 177.541 -1.129 17668 8553 1 23 . 1 1 29 29 LYS CA C 34 58.242 58.242 58.196 0.046 17668 8554 1 23 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.526 -0.780 17668 8555 1 23 . 1 1 29 29 LYS H H 34 8.341 8.341 8.532 -0.191 17668 8556 1 23 . 1 1 30 30 GLY N N 35 111.524 111.524 112.079 -0.555 17668 8557 1 23 . 1 1 30 30 GLY C C 35 175.715 175.715 174.396 1.319 17668 8558 1 23 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.551 -0.063 17668 8559 1 23 . 1 1 30 30 GLY H H 35 8.509 8.509 8.717 -0.208 17668 8560 1 23 . 1 1 31 31 VAL N N 36 122.461 122.461 120.590 1.871 17668 8561 1 23 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.247 -0.372 17668 8562 1 23 . 1 1 31 31 VAL C C 36 175.032 175.032 175.458 -0.426 17668 8563 1 23 . 1 1 31 31 VAL CA C 36 63.757 63.757 63.206 0.551 17668 8564 1 23 . 1 1 31 31 VAL CB C 36 31.250 31.250 31.861 -0.611 17668 8565 1 23 . 1 1 31 31 VAL H H 36 7.892 7.892 7.318 0.574 17668 8566 1 23 . 1 1 32 32 ALA N N 37 131.758 131.758 131.977 -0.219 17668 8567 1 23 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.572 -0.207 17668 8568 1 23 . 1 1 32 32 ALA C C 37 177.619 177.619 176.788 0.831 17668 8569 1 23 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.633 0.613 17668 8570 1 23 . 1 1 32 32 ALA CB C 37 20.722 20.722 20.927 -0.205 17668 8571 1 23 . 1 1 32 32 ALA H H 37 9.042 9.042 8.922 0.120 17668 8572 1 23 . 1 1 33 33 GLU N N 38 114.258 114.258 115.148 -0.890 17668 8573 1 23 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.482 0.019 17668 8574 1 23 . 1 1 33 33 GLU C C 38 173.651 173.651 174.024 -0.373 17668 8575 1 23 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.059 -0.483 17668 8576 1 23 . 1 1 33 33 GLU CB C 38 33.666 33.666 31.523 2.143 17668 8577 1 23 . 1 1 33 33 GLU H H 38 7.555 7.555 7.843 -0.288 17668 8578 1 23 . 1 1 34 34 ALA N N 39 125.742 125.742 125.392 0.350 17668 8579 1 23 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.073 0.028 17668 8580 1 23 . 1 1 34 34 ALA C C 39 175.033 175.033 176.052 -1.019 17668 8581 1 23 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.553 -0.273 17668 8582 1 23 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.259 0.978 17668 8583 1 23 . 1 1 34 34 ALA H H 39 9.014 9.014 8.406 0.608 17668 8584 1 23 . 1 1 35 35 SER N N 40 113.711 113.711 115.672 -1.961 17668 8585 1 23 . 1 1 35 35 SER HA H 40 4.855 4.855 5.222 -0.367 17668 8586 1 23 . 1 1 35 35 SER C C 40 173.824 173.824 173.774 0.050 17668 8587 1 23 . 1 1 35 35 SER CA C 40 56.254 56.254 57.812 -1.558 17668 8588 1 23 . 1 1 35 35 SER CB C 40 65.255 65.255 67.390 -2.135 17668 8589 1 23 . 1 1 35 35 SER H H 40 8.481 8.481 8.720 -0.239 17668 8590 1 23 . 1 1 36 36 VAL N N 41 129.570 129.570 120.843 8.727 17668 8591 1 23 . 1 1 36 36 VAL C C 41 175.204 175.204 175.582 -0.378 17668 8592 1 23 . 1 1 36 36 VAL CA C 41 60.265 60.265 61.056 -0.791 17668 8593 1 23 . 1 1 36 36 VAL CB C 41 33.743 33.743 31.851 1.892 17668 8594 1 23 . 1 1 36 36 VAL H H 41 10.164 10.164 9.431 0.733 17668 8595 1 23 . 1 1 37 37 THR N N 42 123.008 123.008 122.252 0.756 17668 8596 1 23 . 1 1 37 37 THR HA H 42 4.392 4.392 4.677 -0.285 17668 8597 1 23 . 1 1 37 37 THR C C 42 175.030 175.030 175.064 -0.034 17668 8598 1 23 . 1 1 37 37 THR CA C 42 60.760 60.760 61.158 -0.399 17668 8599 1 23 . 1 1 37 37 THR CB C 42 69.255 69.255 69.370 -0.115 17668 8600 1 23 . 1 1 37 37 THR H H 42 8.453 8.453 8.370 0.083 17668 8601 1 23 . 1 1 38 38 VAL N N 43 128.476 128.476 128.647 -0.171 17668 8602 1 23 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.675 -0.373 17668 8603 1 23 . 1 1 38 38 VAL C C 43 176.067 176.067 177.697 -1.630 17668 8604 1 23 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.444 -2.175 17668 8605 1 23 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.812 0.415 17668 8606 1 23 . 1 1 38 38 VAL H H 43 8.789 8.789 8.857 -0.068 17668 8607 1 23 . 1 1 39 39 ALA N N 44 119.180 119.180 122.905 -3.725 17668 8608 1 23 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.157 -0.173 17668 8609 1 23 . 1 1 39 39 ALA C C 44 179.167 179.167 178.396 0.771 17668 8610 1 23 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.717 0.508 17668 8611 1 23 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.671 0.324 17668 8612 1 23 . 1 1 39 39 ALA H H 44 8.509 8.509 8.363 0.146 17668 8613 1 23 . 1 1 40 40 THR N N 45 135.586 135.586 107.516 28.070 17668 8614 1 23 . 1 1 40 40 THR HA H 45 4.338 4.338 4.371 -0.033 17668 8615 1 23 . 1 1 40 40 THR C C 45 176.237 176.237 175.288 0.949 17668 8616 1 23 . 1 1 40 40 THR CA C 45 60.254 60.254 61.613 -1.359 17668 8617 1 23 . 1 1 40 40 THR CB C 45 70.261 70.261 71.160 -0.899 17668 8618 1 23 . 1 1 40 40 THR H H 45 6.713 6.713 7.523 -0.810 17668 8619 1 23 . 1 1 41 41 GLY N N 46 110.977 110.977 111.814 -0.837 17668 8620 1 23 . 1 1 41 41 GLY C C 46 172.096 172.096 173.130 -1.034 17668 8621 1 23 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.769 0.456 17668 8622 1 23 . 1 1 41 41 GLY H H 46 7.835 7.835 7.817 0.018 17668 8623 1 23 . 1 1 42 42 ARG N N 47 118.086 118.086 118.790 -0.704 17668 8624 1 23 . 1 1 42 42 ARG C C 47 175.032 175.032 173.905 1.127 17668 8625 1 23 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.277 1.973 17668 8626 1 23 . 1 1 42 42 ARG CB C 47 31.739 31.739 34.989 -3.249 17668 8627 1 23 . 1 1 42 42 ARG H H 47 7.303 7.303 7.967 -0.664 17668 8628 1 23 . 1 1 43 43 LEU N N 48 129.023 129.023 120.760 8.263 17668 8629 1 23 . 1 1 43 43 LEU HA H 48 5.019 5.019 4.876 0.143 17668 8630 1 23 . 1 1 43 43 LEU C C 48 175.033 175.033 174.408 0.625 17668 8631 1 23 . 1 1 43 43 LEU CA C 48 53.250 53.250 54.054 -0.804 17668 8632 1 23 . 1 1 43 43 LEU CB C 48 45.081 45.081 47.125 -2.044 17668 8633 1 23 . 1 1 43 43 LEU H H 48 8.986 8.986 8.724 0.262 17668 8634 1 23 . 1 1 44 44 THR N N 49 123.008 123.008 120.505 2.503 17668 8635 1 23 . 1 1 44 44 THR HA H 49 4.964 4.964 5.414 -0.450 17668 8636 1 23 . 1 1 44 44 THR C C 49 173.475 173.475 172.708 0.767 17668 8637 1 23 . 1 1 44 44 THR CA C 49 61.752 61.752 62.075 -0.323 17668 8638 1 23 . 1 1 44 44 THR CB C 49 69.756 69.756 70.678 -0.922 17668 8639 1 23 . 1 1 44 44 THR H H 49 9.154 9.154 8.219 0.935 17668 8640 1 23 . 1 1 45 45 VAL N N 50 125.195 125.195 126.399 -1.204 17668 8641 1 23 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.599 0.583 17668 8642 1 23 . 1 1 45 45 VAL C C 50 172.614 172.614 173.499 -0.885 17668 8643 1 23 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.014 -1.252 17668 8644 1 23 . 1 1 45 45 VAL CB C 50 35.452 35.452 36.659 -1.207 17668 8645 1 23 . 1 1 45 45 VAL H H 50 9.071 9.071 9.366 -0.295 17668 8646 1 23 . 1 1 46 46 THR N N 51 124.648 124.648 125.170 -0.522 17668 8647 1 23 . 1 1 46 46 THR HA H 51 5.782 5.782 5.296 0.486 17668 8648 1 23 . 1 1 46 46 THR C C 51 174.684 174.684 173.790 0.894 17668 8649 1 23 . 1 1 46 46 THR CA C 51 61.248 61.248 61.157 0.091 17668 8650 1 23 . 1 1 46 46 THR CB C 51 70.265 70.265 69.067 1.198 17668 8651 1 23 . 1 1 46 46 THR H H 51 8.930 8.930 8.413 0.517 17668 8652 1 23 . 1 1 47 47 TYR N N 52 124.648 124.648 122.043 2.605 17668 8653 1 23 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.307 -0.016 17668 8654 1 23 . 1 1 47 47 TYR C C 52 171.408 171.408 172.950 -1.542 17668 8655 1 23 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.809 -0.564 17668 8656 1 23 . 1 1 47 47 TYR CB C 52 41.754 41.754 40.972 0.782 17668 8657 1 23 . 1 1 47 47 TYR H H 52 9.603 9.603 8.761 0.842 17668 8658 1 23 . 1 1 48 48 ASP N N 53 119.180 119.180 121.287 -2.107 17668 8659 1 23 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.288 -0.323 17668 8660 1 23 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.301 -0.292 17668 8661 1 23 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.488 -1.930 17668 8662 1 23 . 1 1 48 48 ASP H H 53 8.481 8.481 8.619 -0.138 17668 8663 1 23 . 1 1 49 49 PRO HA H 54 5.373 5.373 5.023 0.350 17668 8664 1 23 . 1 1 49 49 PRO C C 54 178.311 178.311 176.747 1.564 17668 8665 1 23 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.920 -0.657 17668 8666 1 23 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.933 0.310 17668 8667 1 23 . 1 1 50 50 LYS N N 55 116.992 116.992 117.178 -0.186 17668 8668 1 23 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.460 -0.340 17668 8669 1 23 . 1 1 50 50 LYS C C 55 177.802 177.802 178.087 -0.285 17668 8670 1 23 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.647 1.079 17668 8671 1 23 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.944 -2.079 17668 8672 1 23 . 1 1 50 50 LYS H H 55 8.284 8.284 7.908 0.376 17668 8673 1 23 . 1 1 51 51 GLN N N 56 115.352 115.352 118.780 -3.428 17668 8674 1 23 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.107 0.204 17668 8675 1 23 . 1 1 51 51 GLN C C 56 175.031 175.031 176.148 -1.117 17668 8676 1 23 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.685 -1.929 17668 8677 1 23 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.431 3.321 17668 8678 1 23 . 1 1 51 51 GLN H H 56 7.864 7.864 8.613 -0.749 17668 8679 1 23 . 1 1 52 52 VAL N N 57 120.273 120.273 109.495 10.778 17668 8680 1 23 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.537 -0.144 17668 8681 1 23 . 1 1 52 52 VAL C C 57 170.718 170.718 173.851 -3.133 17668 8682 1 23 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.478 0.294 17668 8683 1 23 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.629 -0.401 17668 8684 1 23 . 1 1 52 52 VAL H H 57 8.172 8.172 7.925 0.247 17668 8685 1 23 . 1 1 53 53 SER N N 58 116.992 116.992 113.715 3.277 17668 8686 1 23 . 1 1 53 53 SER C C 58 175.377 175.377 175.404 -0.027 17668 8687 1 23 . 1 1 53 53 SER CA C 58 55.251 55.251 56.420 -1.169 17668 8688 1 23 . 1 1 53 53 SER CB C 58 66.750 66.750 66.490 0.260 17668 8689 1 23 . 1 1 53 53 SER H H 58 7.611 7.611 8.316 -0.705 17668 8690 1 23 . 1 1 54 54 GLU N N 59 120.820 120.820 121.301 -0.481 17668 8691 1 23 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.837 -0.479 17668 8692 1 23 . 1 1 54 54 GLU C C 59 178.308 178.308 177.449 0.859 17668 8693 1 23 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.315 1.428 17668 8694 1 23 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.246 0.994 17668 8695 1 23 . 1 1 54 54 GLU H H 59 8.930 8.930 8.971 -0.041 17668 8696 1 23 . 1 1 55 55 ILE N N 60 118.086 118.086 121.990 -3.904 17668 8697 1 23 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.687 0.051 17668 8698 1 23 . 1 1 55 55 ILE C C 60 177.448 177.448 177.792 -0.344 17668 8699 1 23 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.305 -0.556 17668 8700 1 23 . 1 1 55 55 ILE CB C 60 37.515 37.515 37.441 0.074 17668 8701 1 23 . 1 1 55 55 ILE H H 60 7.583 7.583 7.847 -0.264 17668 8702 1 23 . 1 1 56 56 THR N N 61 119.727 119.727 116.019 3.708 17668 8703 1 23 . 1 1 56 56 THR HA H 61 3.766 3.766 3.948 -0.182 17668 8704 1 23 . 1 1 56 56 THR C C 61 177.104 177.104 176.703 0.401 17668 8705 1 23 . 1 1 56 56 THR CA C 61 66.264 66.264 67.223 -0.959 17668 8706 1 23 . 1 1 56 56 THR CB C 61 68.245 68.245 68.332 -0.087 17668 8707 1 23 . 1 1 56 56 THR H H 61 7.471 7.471 7.963 -0.492 17668 8708 1 23 . 1 1 57 57 ILE N N 62 121.367 121.367 121.869 -0.502 17668 8709 1 23 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.773 -0.742 17668 8710 1 23 . 1 1 57 57 ILE C C 62 176.756 176.756 176.619 0.137 17668 8711 1 23 . 1 1 57 57 ILE CA C 62 65.760 65.760 63.650 2.110 17668 8712 1 23 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.650 0.601 17668 8713 1 23 . 1 1 57 57 ILE H H 62 7.259 7.259 7.648 -0.389 17668 8714 1 23 . 1 1 58 58 GLN N N 63 117.539 117.539 120.305 -2.766 17668 8715 1 23 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.870 -0.268 17668 8716 1 23 . 1 1 58 58 GLN C C 63 179.172 179.172 178.148 1.024 17668 8717 1 23 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.605 0.150 17668 8718 1 23 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.464 -0.730 17668 8719 1 23 . 1 1 58 58 GLN H H 63 7.976 7.976 7.980 -0.004 17668 8720 1 23 . 1 1 59 59 GLU N N 64 119.180 119.180 118.964 0.216 17668 8721 1 23 . 1 1 59 59 GLU HA H 64 3.874 3.874 3.966 -0.092 17668 8722 1 23 . 1 1 59 59 GLU C C 64 179.866 179.866 179.201 0.665 17668 8723 1 23 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.505 -0.246 17668 8724 1 23 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.117 0.583 17668 8725 1 23 . 1 1 59 59 GLU H H 64 8.622 8.622 8.472 0.150 17668 8726 1 23 . 1 1 60 60 ARG N N 65 119.727 119.727 119.764 -0.037 17668 8727 1 23 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.186 -0.093 17668 8728 1 23 . 1 1 60 60 ARG C C 65 178.310 178.310 178.941 -0.631 17668 8729 1 23 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.149 -0.893 17668 8730 1 23 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.613 -0.865 17668 8731 1 23 . 1 1 60 60 ARG H H 65 7.891 7.891 7.443 0.448 17668 8732 1 23 . 1 1 61 61 ILE N N 66 118.086 118.086 119.939 -1.853 17668 8733 1 23 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.794 -0.247 17668 8734 1 23 . 1 1 61 61 ILE C C 66 178.311 178.311 177.843 0.468 17668 8735 1 23 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.500 -0.755 17668 8736 1 23 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.995 -0.314 17668 8737 1 23 . 1 1 61 61 ILE H H 66 7.443 7.443 8.034 -0.591 17668 8738 1 23 . 1 1 62 62 ALA N N 67 121.914 121.914 122.035 -0.121 17668 8739 1 23 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.459 0.070 17668 8740 1 23 . 1 1 62 62 ALA C C 67 182.626 182.626 180.294 2.332 17668 8741 1 23 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.612 -0.362 17668 8742 1 23 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.403 -0.668 17668 8743 1 23 . 1 1 62 62 ALA H H 67 8.116 8.116 8.527 -0.411 17668 8744 1 23 . 1 1 63 63 ALA N N 68 121.367 121.367 121.536 -0.169 17668 8745 1 23 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.189 -0.177 17668 8746 1 23 . 1 1 63 63 ALA C C 68 179.690 179.690 179.044 0.646 17668 8747 1 23 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.270 -0.011 17668 8748 1 23 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.689 -0.468 17668 8749 1 23 . 1 1 63 63 ALA H H 68 7.948 7.948 7.677 0.271 17668 8750 1 23 . 1 1 64 64 LEU N N 69 116.445 116.445 116.463 -0.018 17668 8751 1 23 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.284 -0.137 17668 8752 1 23 . 1 1 64 64 LEU C C 69 176.931 176.931 177.040 -0.109 17668 8753 1 23 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.818 0.427 17668 8754 1 23 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.305 1.936 17668 8755 1 23 . 1 1 64 64 LEU H H 69 7.247 7.247 7.457 -0.210 17668 8756 1 23 . 1 1 65 65 GLY N N 70 103.867 103.867 105.319 -1.452 17668 8757 1 23 . 1 1 65 65 GLY C C 70 173.651 173.651 173.471 0.180 17668 8758 1 23 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.542 -0.070 17668 8759 1 23 . 1 1 65 65 GLY H H 70 7.668 7.668 7.457 0.211 17668 8760 1 23 . 1 1 66 66 TYR N N 71 119.180 119.180 117.751 1.429 17668 8761 1 23 . 1 1 66 66 TYR C C 71 174.513 174.513 174.630 -0.117 17668 8762 1 23 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.334 0.686 17668 8763 1 23 . 1 1 66 66 TYR CB C 71 39.502 39.502 40.919 -1.417 17668 8764 1 23 . 1 1 66 66 TYR H H 71 6.798 6.798 7.589 -0.791 17668 8765 1 23 . 1 1 67 67 THR N N 72 109.883 109.883 111.463 -1.580 17668 8766 1 23 . 1 1 67 67 THR C C 72 173.998 173.998 172.839 1.159 17668 8767 1 23 . 1 1 67 67 THR CA C 72 60.249 60.249 60.598 -0.349 17668 8768 1 23 . 1 1 67 67 THR CB C 72 71.254 71.254 71.723 -0.469 17668 8769 1 23 . 1 1 67 67 THR H H 72 8.144 8.144 8.609 -0.465 17668 8770 1 23 . 1 1 68 68 LEU N N 73 122.461 122.461 121.790 0.671 17668 8771 1 23 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.950 0.096 17668 8772 1 23 . 1 1 68 68 LEU C C 73 174.168 174.168 174.878 -0.710 17668 8773 1 23 . 1 1 68 68 LEU CA C 73 53.252 53.252 54.102 -0.850 17668 8774 1 23 . 1 1 68 68 LEU CB C 73 43.743 43.743 46.017 -2.275 17668 8775 1 23 . 1 1 68 68 LEU H H 73 8.397 8.397 8.502 -0.105 17668 8776 1 23 . 1 1 69 69 ALA N N 74 125.195 125.195 126.941 -1.746 17668 8777 1 23 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.801 -0.463 17668 8778 1 23 . 1 1 69 69 ALA C C 74 176.931 176.931 175.331 1.600 17668 8779 1 23 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.616 3.638 17668 8780 1 23 . 1 1 69 69 ALA CB C 74 18.225 18.225 21.876 -3.651 17668 8781 1 23 . 1 1 69 69 ALA H H 74 8.200 8.200 8.857 -0.657 17668 8782 1 23 . 1 1 70 70 GLU N N 75 120.820 120.820 124.040 -3.220 17668 8783 1 23 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.754 -0.280 17668 8784 1 23 . 1 1 70 70 GLU CA C 75 54.458 54.458 51.966 2.492 17668 8785 1 23 . 1 1 70 70 GLU CB C 75 29.591 29.591 32.057 -2.466 17668 8786 1 23 . 1 1 70 70 GLU H H 75 8.397 8.397 8.585 -0.188 17668 8787 1 24 . 1 1 2 2 LEU N N 7 119.727 119.727 119.254 0.473 17668 8788 1 24 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.756 -0.418 17668 8789 1 24 . 1 1 2 2 LEU C C 7 176.410 176.410 176.600 -0.190 17668 8790 1 24 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.792 -0.782 17668 8791 1 24 . 1 1 2 2 LEU CB C 7 43.226 43.226 42.742 0.484 17668 8792 1 24 . 1 1 2 2 LEU H H 7 7.919 7.919 8.431 -0.512 17668 8793 1 24 . 1 1 3 3 LYS N N 8 123.008 123.008 116.191 6.817 17668 8794 1 24 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.414 -0.049 17668 8795 1 24 . 1 1 3 3 LYS C C 8 174.512 174.512 174.597 -0.085 17668 8796 1 24 . 1 1 3 3 LYS CA C 8 54.741 54.741 55.035 -0.294 17668 8797 1 24 . 1 1 3 3 LYS CB C 8 35.723 35.723 34.641 1.082 17668 8798 1 24 . 1 1 3 3 LYS H H 8 8.650 8.650 8.254 0.396 17668 8799 1 24 . 1 1 4 4 THR N N 9 120.273 120.273 115.912 4.361 17668 8800 1 24 . 1 1 4 4 THR HA H 9 5.372 5.372 4.901 0.471 17668 8801 1 24 . 1 1 4 4 THR C C 9 174.170 174.170 174.435 -0.265 17668 8802 1 24 . 1 1 4 4 THR CA C 9 61.756 61.756 61.832 -0.076 17668 8803 1 24 . 1 1 4 4 THR CB C 9 70.757 70.757 69.600 1.157 17668 8804 1 24 . 1 1 4 4 THR H H 9 8.481 8.481 8.252 0.229 17668 8805 1 24 . 1 1 5 5 GLN N N 10 126.836 126.836 123.239 3.597 17668 8806 1 24 . 1 1 5 5 GLN C C 10 173.651 173.651 173.498 0.153 17668 8807 1 24 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.418 -1.182 17668 8808 1 24 . 1 1 5 5 GLN CB C 10 34.484 34.484 31.864 2.620 17668 8809 1 24 . 1 1 5 5 GLN H H 10 9.295 9.295 8.269 1.026 17668 8810 1 24 . 1 1 6 6 GLN N N 11 121.367 121.367 122.695 -1.328 17668 8811 1 24 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.294 0.352 17668 8812 1 24 . 1 1 6 6 GLN C C 11 176.069 176.069 174.658 1.411 17668 8813 1 24 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.364 -0.604 17668 8814 1 24 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.799 -0.562 17668 8815 1 24 . 1 1 6 6 GLN H H 11 8.425 8.425 8.413 0.012 17668 8816 1 24 . 1 1 7 7 MET N N 12 120.273 120.273 115.983 4.290 17668 8817 1 24 . 1 1 7 7 MET C C 12 173.824 173.824 174.040 -0.216 17668 8818 1 24 . 1 1 7 7 MET CA C 12 54.598 54.598 54.892 -0.294 17668 8819 1 24 . 1 1 7 7 MET CB C 12 37.258 37.258 36.663 0.595 17668 8820 1 24 . 1 1 7 7 MET H H 12 9.294 9.294 8.934 0.360 17668 8821 1 24 . 1 1 8 8 GLN N N 13 122.461 122.461 118.446 4.015 17668 8822 1 24 . 1 1 8 8 GLN C C 13 174.863 174.863 174.800 0.063 17668 8823 1 24 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.265 0.488 17668 8824 1 24 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.592 -0.349 17668 8825 1 24 . 1 1 8 8 GLN H H 13 8.790 8.790 8.782 0.008 17668 8826 1 24 . 1 1 9 9 VAL N N 14 126.289 126.289 120.175 6.114 17668 8827 1 24 . 1 1 9 9 VAL C C 14 176.586 176.586 175.109 1.477 17668 8828 1 24 . 1 1 9 9 VAL CA C 14 61.255 61.255 61.158 0.097 17668 8829 1 24 . 1 1 9 9 VAL CB C 14 33.467 33.467 36.226 -2.759 17668 8830 1 24 . 1 1 9 9 VAL H H 14 8.930 8.930 8.355 0.575 17668 8831 1 24 . 1 1 10 10 GLY N N 15 117.539 117.539 110.952 6.587 17668 8832 1 24 . 1 1 10 10 GLY C C 15 173.997 173.997 174.004 -0.007 17668 8833 1 24 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.436 -0.191 17668 8834 1 24 . 1 1 10 10 GLY H H 15 9.351 9.351 8.859 0.492 17668 8835 1 24 . 1 1 11 11 GLY N N 16 107.149 107.149 112.136 -4.987 17668 8836 1 24 . 1 1 11 11 GLY C C 16 176.067 176.067 174.282 1.785 17668 8837 1 24 . 1 1 11 11 GLY CA C 16 45.256 45.256 44.811 0.445 17668 8838 1 24 . 1 1 11 11 GLY H H 16 8.284 8.284 8.470 -0.186 17668 8839 1 24 . 1 1 12 12 MET N N 17 118.633 118.633 119.095 -0.462 17668 8840 1 24 . 1 1 12 12 MET C C 17 177.102 177.102 174.997 2.105 17668 8841 1 24 . 1 1 12 12 MET CA C 17 57.740 57.740 55.429 2.311 17668 8842 1 24 . 1 1 12 12 MET CB C 17 34.243 34.243 33.509 0.734 17668 8843 1 24 . 1 1 12 12 MET H H 17 8.509 8.509 7.946 0.563 17668 8844 1 24 . 1 1 13 13 ARG N N 18 126.836 126.836 118.256 8.580 17668 8845 1 24 . 1 1 13 13 ARG C C 18 175.032 175.032 176.765 -1.733 17668 8846 1 24 . 1 1 13 13 ARG CA C 18 57.239 57.239 54.852 2.387 17668 8847 1 24 . 1 1 13 13 ARG CB C 18 32.744 32.744 33.547 -0.803 17668 8848 1 24 . 1 1 13 13 ARG H H 18 10.782 10.782 8.166 2.616 17668 8849 1 24 . 1 1 14 14 CYS N N 19 114.805 114.805 120.099 -5.294 17668 8850 1 24 . 1 1 14 14 CYS CA C 19 56.217 56.217 60.819 -4.602 17668 8851 1 24 . 1 1 14 14 CYS CB C 19 30.413 30.413 27.919 2.494 17668 8852 1 24 . 1 1 14 14 CYS H H 19 8.425 8.425 8.794 -0.369 17668 8853 1 24 . 1 1 15 15 ALA CA C 20 51.257 51.257 52.969 -1.712 17668 8854 1 24 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.427 0.820 17668 8855 1 24 . 1 1 16 16 ALA N N 21 118.906 118.906 126.761 -7.855 17668 8856 1 24 . 1 1 16 16 ALA HA H 21 4.147 4.147 3.831 0.316 17668 8857 1 24 . 1 1 16 16 ALA C C 21 180.553 180.553 178.748 1.805 17668 8858 1 24 . 1 1 16 16 ALA CA C 21 54.756 54.756 54.520 0.236 17668 8859 1 24 . 1 1 16 16 ALA CB C 21 18.233 18.233 16.988 1.245 17668 8860 1 24 . 1 1 17 17 CYS N N 22 121.914 121.914 121.145 0.769 17668 8861 1 24 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.099 -0.278 17668 8862 1 24 . 1 1 17 17 CYS C C 22 177.966 177.966 176.674 1.292 17668 8863 1 24 . 1 1 17 17 CYS CA C 22 64.748 64.748 61.963 2.785 17668 8864 1 24 . 1 1 17 17 CYS CB C 22 29.245 29.245 26.575 2.670 17668 8865 1 24 . 1 1 17 17 CYS H H 22 7.640 7.640 7.974 -0.334 17668 8866 1 24 . 1 1 18 18 ALA N N 23 119.180 119.180 120.012 -0.832 17668 8867 1 24 . 1 1 18 18 ALA HA H 23 3.603 3.603 4.051 -0.448 17668 8868 1 24 . 1 1 18 18 ALA C C 23 179.173 179.173 177.817 1.356 17668 8869 1 24 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.242 1.016 17668 8870 1 24 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.044 0.697 17668 8871 1 24 . 1 1 18 18 ALA H H 23 6.629 6.629 7.865 -1.236 17668 8872 1 24 . 1 1 19 19 SER N N 24 112.618 112.618 113.861 -1.243 17668 8873 1 24 . 1 1 19 19 SER HA H 24 4.147 4.147 4.521 -0.374 17668 8874 1 24 . 1 1 19 19 SER C C 24 176.764 176.764 176.813 -0.049 17668 8875 1 24 . 1 1 19 19 SER CA C 24 61.259 61.259 60.340 0.918 17668 8876 1 24 . 1 1 19 19 SER CB C 24 62.754 62.754 64.080 -1.326 17668 8877 1 24 . 1 1 19 19 SER H H 24 7.752 7.752 7.807 -0.055 17668 8878 1 24 . 1 1 20 20 SER N N 25 116.992 116.992 119.841 -2.849 17668 8879 1 24 . 1 1 20 20 SER HA H 25 3.521 3.521 4.194 -0.673 17668 8880 1 24 . 1 1 20 20 SER C C 25 177.448 177.448 176.757 0.691 17668 8881 1 24 . 1 1 20 20 SER CA C 25 61.870 61.870 62.097 -0.227 17668 8882 1 24 . 1 1 20 20 SER CB C 25 62.751 62.751 62.922 -0.171 17668 8883 1 24 . 1 1 20 20 SER H H 25 7.989 7.989 8.561 -0.572 17668 8884 1 24 . 1 1 21 21 ILE N N 26 122.461 122.461 121.406 1.055 17668 8885 1 24 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.853 -0.523 17668 8886 1 24 . 1 1 21 21 ILE C C 26 176.930 176.930 177.564 -0.634 17668 8887 1 24 . 1 1 21 21 ILE CA C 26 66.255 66.255 64.898 1.357 17668 8888 1 24 . 1 1 21 21 ILE CB C 26 38.237 38.237 37.769 0.468 17668 8889 1 24 . 1 1 21 21 ILE H H 26 7.583 7.583 8.027 -0.444 17668 8890 1 24 . 1 1 22 22 GLU N N 27 116.992 116.992 118.451 -1.459 17668 8891 1 24 . 1 1 22 22 GLU HA H 27 3.466 3.466 4.281 -0.815 17668 8892 1 24 . 1 1 22 22 GLU C C 27 178.916 178.916 178.975 -0.059 17668 8893 1 24 . 1 1 22 22 GLU CA C 27 60.753 60.753 58.160 2.593 17668 8894 1 24 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.798 -0.091 17668 8895 1 24 . 1 1 22 22 GLU H H 27 8.004 8.004 7.818 0.186 17668 8896 1 24 . 1 1 23 23 ARG N N 28 114.805 114.805 120.909 -6.104 17668 8897 1 24 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.083 -0.127 17668 8898 1 24 . 1 1 23 23 ARG C C 28 179.517 179.517 177.977 1.540 17668 8899 1 24 . 1 1 23 23 ARG CA C 28 58.752 58.752 59.062 -0.310 17668 8900 1 24 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.398 0.348 17668 8901 1 24 . 1 1 23 23 ARG H H 28 8.256 8.256 8.408 -0.152 17668 8902 1 24 . 1 1 24 24 ALA N N 29 118.633 118.633 121.126 -2.493 17668 8903 1 24 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.253 -0.296 17668 8904 1 24 . 1 1 24 24 ALA C C 29 181.073 181.073 179.148 1.925 17668 8905 1 24 . 1 1 24 24 ALA CA C 29 54.749 54.749 54.298 0.451 17668 8906 1 24 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.576 0.152 17668 8907 1 24 . 1 1 24 24 ALA H H 29 7.555 7.555 8.095 -0.540 17668 8908 1 24 . 1 1 25 25 LEU N N 30 115.899 115.899 120.223 -4.324 17668 8909 1 24 . 1 1 25 25 LEU HA H 30 3.984 3.984 3.970 0.014 17668 8910 1 24 . 1 1 25 25 LEU C C 30 178.658 178.658 177.938 0.720 17668 8911 1 24 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.961 -0.739 17668 8912 1 24 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.220 0.028 17668 8913 1 24 . 1 1 25 25 LEU H H 30 7.976 7.976 7.593 0.383 17668 8914 1 24 . 1 1 26 26 GLU N N 31 115.899 115.899 113.314 2.585 17668 8915 1 24 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.118 -0.380 17668 8916 1 24 . 1 1 26 26 GLU C C 31 177.793 177.793 178.589 -0.796 17668 8917 1 24 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.816 0.911 17668 8918 1 24 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.237 0.004 17668 8919 1 24 . 1 1 26 26 GLU H H 31 8.116 8.116 7.859 0.257 17668 8920 1 24 . 1 1 27 27 ARG N N 32 114.258 114.258 119.830 -5.572 17668 8921 1 24 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.271 -0.124 17668 8922 1 24 . 1 1 27 27 ARG C C 32 176.757 176.757 177.781 -1.024 17668 8923 1 24 . 1 1 27 27 ARG CA C 32 56.250 56.250 58.312 -2.062 17668 8924 1 24 . 1 1 27 27 ARG CB C 32 30.744 30.744 30.768 -0.024 17668 8925 1 24 . 1 1 27 27 ARG H H 32 6.854 6.854 7.672 -0.818 17668 8926 1 24 . 1 1 28 28 LEU N N 33 123.008 123.008 114.882 8.126 17668 8927 1 24 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.480 -0.278 17668 8928 1 24 . 1 1 28 28 LEU C C 33 176.412 176.412 176.996 -0.584 17668 8929 1 24 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.164 -0.915 17668 8930 1 24 . 1 1 28 28 LEU CB C 33 41.739 41.739 41.042 0.697 17668 8931 1 24 . 1 1 28 28 LEU H H 33 7.501 7.501 7.702 -0.201 17668 8932 1 24 . 1 1 29 29 LYS N N 34 127.383 127.383 114.035 13.348 17668 8933 1 24 . 1 1 29 29 LYS HA H 34 3.874 3.874 3.916 -0.042 17668 8934 1 24 . 1 1 29 29 LYS C C 34 176.412 176.412 177.020 -0.608 17668 8935 1 24 . 1 1 29 29 LYS CA C 34 58.242 58.242 58.559 -0.317 17668 8936 1 24 . 1 1 29 29 LYS CB C 34 31.746 31.746 30.067 1.679 17668 8937 1 24 . 1 1 29 29 LYS H H 34 8.341 8.341 7.886 0.455 17668 8938 1 24 . 1 1 30 30 GLY N N 35 111.524 111.524 106.689 4.835 17668 8939 1 24 . 1 1 30 30 GLY C C 35 175.715 175.715 173.663 2.052 17668 8940 1 24 . 1 1 30 30 GLY CA C 35 45.488 45.488 44.950 0.538 17668 8941 1 24 . 1 1 30 30 GLY H H 35 8.509 8.509 7.968 0.541 17668 8942 1 24 . 1 1 31 31 VAL N N 36 122.461 122.461 118.415 4.046 17668 8943 1 24 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.258 -0.384 17668 8944 1 24 . 1 1 31 31 VAL C C 36 175.032 175.032 174.524 0.508 17668 8945 1 24 . 1 1 31 31 VAL CA C 36 63.757 63.757 60.897 2.860 17668 8946 1 24 . 1 1 31 31 VAL CB C 36 31.250 31.250 34.249 -2.999 17668 8947 1 24 . 1 1 31 31 VAL H H 36 7.892 7.892 7.505 0.387 17668 8948 1 24 . 1 1 32 32 ALA N N 37 131.758 131.758 129.047 2.711 17668 8949 1 24 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.483 -0.118 17668 8950 1 24 . 1 1 32 32 ALA C C 37 177.619 177.619 177.229 0.390 17668 8951 1 24 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.912 0.334 17668 8952 1 24 . 1 1 32 32 ALA CB C 37 20.722 20.722 20.167 0.555 17668 8953 1 24 . 1 1 32 32 ALA H H 37 9.042 9.042 8.527 0.515 17668 8954 1 24 . 1 1 33 33 GLU N N 38 114.258 114.258 116.782 -2.524 17668 8955 1 24 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.519 -0.018 17668 8956 1 24 . 1 1 33 33 GLU C C 38 173.651 173.651 173.999 -0.348 17668 8957 1 24 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.831 -1.254 17668 8958 1 24 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.366 1.300 17668 8959 1 24 . 1 1 33 33 GLU H H 38 7.555 7.555 7.836 -0.281 17668 8960 1 24 . 1 1 34 34 ALA N N 39 125.742 125.742 125.975 -0.233 17668 8961 1 24 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.059 0.042 17668 8962 1 24 . 1 1 34 34 ALA C C 39 175.033 175.033 175.360 -0.327 17668 8963 1 24 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.492 -0.212 17668 8964 1 24 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.415 0.822 17668 8965 1 24 . 1 1 34 34 ALA H H 39 9.014 9.014 8.465 0.549 17668 8966 1 24 . 1 1 35 35 SER N N 40 113.711 113.711 116.584 -2.873 17668 8967 1 24 . 1 1 35 35 SER HA H 40 4.855 4.855 4.904 -0.049 17668 8968 1 24 . 1 1 35 35 SER C C 40 173.824 173.824 173.836 -0.012 17668 8969 1 24 . 1 1 35 35 SER CA C 40 56.254 56.254 58.012 -1.758 17668 8970 1 24 . 1 1 35 35 SER CB C 40 65.255 65.255 65.825 -0.570 17668 8971 1 24 . 1 1 35 35 SER H H 40 8.481 8.481 8.931 -0.450 17668 8972 1 24 . 1 1 36 36 VAL N N 41 129.570 129.570 127.224 2.346 17668 8973 1 24 . 1 1 36 36 VAL C C 41 175.204 175.204 175.284 -0.080 17668 8974 1 24 . 1 1 36 36 VAL CA C 41 60.265 60.265 63.128 -2.863 17668 8975 1 24 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.735 1.008 17668 8976 1 24 . 1 1 36 36 VAL H H 41 10.164 10.164 9.386 0.778 17668 8977 1 24 . 1 1 37 37 THR N N 42 123.008 123.008 124.160 -1.152 17668 8978 1 24 . 1 1 37 37 THR HA H 42 4.392 4.392 4.626 -0.234 17668 8979 1 24 . 1 1 37 37 THR C C 42 175.030 175.030 174.473 0.557 17668 8980 1 24 . 1 1 37 37 THR CA C 42 60.760 60.760 61.318 -0.558 17668 8981 1 24 . 1 1 37 37 THR CB C 42 69.255 69.255 69.424 -0.169 17668 8982 1 24 . 1 1 37 37 THR H H 42 8.453 8.453 8.583 -0.130 17668 8983 1 24 . 1 1 38 38 VAL N N 43 128.476 128.476 127.908 0.568 17668 8984 1 24 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.581 -0.279 17668 8985 1 24 . 1 1 38 38 VAL C C 43 176.067 176.067 178.000 -1.933 17668 8986 1 24 . 1 1 38 38 VAL CA C 43 63.268 63.268 66.379 -3.111 17668 8987 1 24 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.589 0.638 17668 8988 1 24 . 1 1 38 38 VAL H H 43 8.789 8.789 8.854 -0.065 17668 8989 1 24 . 1 1 39 39 ALA N N 44 119.180 119.180 122.673 -3.493 17668 8990 1 24 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.119 -0.135 17668 8991 1 24 . 1 1 39 39 ALA C C 44 179.167 179.167 178.577 0.590 17668 8992 1 24 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.773 0.452 17668 8993 1 24 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.076 0.919 17668 8994 1 24 . 1 1 39 39 ALA H H 44 8.509 8.509 8.512 -0.003 17668 8995 1 24 . 1 1 40 40 THR N N 45 135.586 135.586 106.248 29.338 17668 8996 1 24 . 1 1 40 40 THR HA H 45 4.338 4.338 4.434 -0.096 17668 8997 1 24 . 1 1 40 40 THR C C 45 176.237 176.237 175.008 1.229 17668 8998 1 24 . 1 1 40 40 THR CA C 45 60.254 60.254 60.853 -0.599 17668 8999 1 24 . 1 1 40 40 THR CB C 45 70.261 70.261 69.952 0.309 17668 9000 1 24 . 1 1 40 40 THR H H 45 6.713 6.713 7.683 -0.970 17668 9001 1 24 . 1 1 41 41 GLY N N 46 110.977 110.977 111.418 -0.441 17668 9002 1 24 . 1 1 41 41 GLY C C 46 172.096 172.096 173.609 -1.513 17668 9003 1 24 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.916 0.309 17668 9004 1 24 . 1 1 41 41 GLY H H 46 7.835 7.835 7.785 0.050 17668 9005 1 24 . 1 1 42 42 ARG N N 47 118.086 118.086 117.673 0.413 17668 9006 1 24 . 1 1 42 42 ARG C C 47 175.032 175.032 174.111 0.921 17668 9007 1 24 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.331 1.919 17668 9008 1 24 . 1 1 42 42 ARG CB C 47 31.739 31.739 34.130 -2.391 17668 9009 1 24 . 1 1 42 42 ARG H H 47 7.303 7.303 8.053 -0.750 17668 9010 1 24 . 1 1 43 43 LEU N N 48 129.023 129.023 118.293 10.730 17668 9011 1 24 . 1 1 43 43 LEU HA H 48 5.019 5.019 4.812 0.207 17668 9012 1 24 . 1 1 43 43 LEU C C 48 175.033 175.033 174.679 0.354 17668 9013 1 24 . 1 1 43 43 LEU CA C 48 53.250 53.250 54.063 -0.813 17668 9014 1 24 . 1 1 43 43 LEU CB C 48 45.081 45.081 47.124 -2.043 17668 9015 1 24 . 1 1 43 43 LEU H H 48 8.986 8.986 8.166 0.820 17668 9016 1 24 . 1 1 44 44 THR N N 49 123.008 123.008 118.358 4.650 17668 9017 1 24 . 1 1 44 44 THR HA H 49 4.964 4.964 5.425 -0.461 17668 9018 1 24 . 1 1 44 44 THR C C 49 173.475 173.475 172.573 0.902 17668 9019 1 24 . 1 1 44 44 THR CA C 49 61.752 61.752 61.353 0.398 17668 9020 1 24 . 1 1 44 44 THR CB C 49 69.756 69.756 71.551 -1.795 17668 9021 1 24 . 1 1 44 44 THR H H 49 9.154 9.154 8.429 0.725 17668 9022 1 24 . 1 1 45 45 VAL N N 50 125.195 125.195 124.790 0.405 17668 9023 1 24 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.693 0.489 17668 9024 1 24 . 1 1 45 45 VAL C C 50 172.614 172.614 173.434 -0.820 17668 9025 1 24 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.127 -1.365 17668 9026 1 24 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.822 -0.370 17668 9027 1 24 . 1 1 45 45 VAL H H 50 9.071 9.071 9.276 -0.205 17668 9028 1 24 . 1 1 46 46 THR N N 51 124.648 124.648 125.629 -0.981 17668 9029 1 24 . 1 1 46 46 THR HA H 51 5.782 5.782 5.017 0.765 17668 9030 1 24 . 1 1 46 46 THR C C 51 174.684 174.684 173.818 0.866 17668 9031 1 24 . 1 1 46 46 THR CA C 51 61.248 61.248 61.298 -0.050 17668 9032 1 24 . 1 1 46 46 THR CB C 51 70.265 70.265 69.094 1.171 17668 9033 1 24 . 1 1 46 46 THR H H 51 8.930 8.930 8.930 -0.000 17668 9034 1 24 . 1 1 47 47 TYR N N 52 124.648 124.648 123.424 1.224 17668 9035 1 24 . 1 1 47 47 TYR HA H 52 5.291 5.291 4.862 0.429 17668 9036 1 24 . 1 1 47 47 TYR C C 52 171.408 171.408 172.814 -1.406 17668 9037 1 24 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.722 -0.477 17668 9038 1 24 . 1 1 47 47 TYR CB C 52 41.754 41.754 40.425 1.329 17668 9039 1 24 . 1 1 47 47 TYR H H 52 9.603 9.603 7.913 1.690 17668 9040 1 24 . 1 1 48 48 ASP N N 53 119.180 119.180 121.717 -2.537 17668 9041 1 24 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.120 -0.155 17668 9042 1 24 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.470 -0.461 17668 9043 1 24 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.534 -0.976 17668 9044 1 24 . 1 1 48 48 ASP H H 53 8.481 8.481 9.092 -0.611 17668 9045 1 24 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.945 0.428 17668 9046 1 24 . 1 1 49 49 PRO C C 54 178.311 178.311 176.425 1.886 17668 9047 1 24 . 1 1 49 49 PRO CA C 54 63.263 63.263 64.028 -0.765 17668 9048 1 24 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.738 0.505 17668 9049 1 24 . 1 1 50 50 LYS N N 55 116.992 116.992 117.400 -0.408 17668 9050 1 24 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.445 -0.325 17668 9051 1 24 . 1 1 50 50 LYS C C 55 177.802 177.802 178.165 -0.363 17668 9052 1 24 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.651 1.075 17668 9053 1 24 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.762 -1.897 17668 9054 1 24 . 1 1 50 50 LYS H H 55 8.284 8.284 7.695 0.589 17668 9055 1 24 . 1 1 51 51 GLN N N 56 115.352 115.352 118.227 -2.875 17668 9056 1 24 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.155 0.156 17668 9057 1 24 . 1 1 51 51 GLN C C 56 175.031 175.031 177.236 -2.205 17668 9058 1 24 . 1 1 51 51 GLN CA C 56 56.756 56.756 57.928 -1.172 17668 9059 1 24 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.008 3.744 17668 9060 1 24 . 1 1 51 51 GLN H H 56 7.864 7.864 8.784 -0.920 17668 9061 1 24 . 1 1 52 52 VAL N N 57 120.273 120.273 111.691 8.582 17668 9062 1 24 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.482 -0.089 17668 9063 1 24 . 1 1 52 52 VAL C C 57 170.718 170.718 173.843 -3.125 17668 9064 1 24 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.585 0.187 17668 9065 1 24 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.205 0.023 17668 9066 1 24 . 1 1 52 52 VAL H H 57 8.172 8.172 8.016 0.156 17668 9067 1 24 . 1 1 53 53 SER N N 58 116.992 116.992 113.369 3.623 17668 9068 1 24 . 1 1 53 53 SER C C 58 175.377 175.377 175.049 0.328 17668 9069 1 24 . 1 1 53 53 SER CA C 58 55.251 55.251 56.788 -1.537 17668 9070 1 24 . 1 1 53 53 SER CB C 58 66.750 66.750 65.740 1.010 17668 9071 1 24 . 1 1 53 53 SER H H 58 7.611 7.611 7.875 -0.264 17668 9072 1 24 . 1 1 54 54 GLU N N 59 120.820 120.820 121.148 -0.328 17668 9073 1 24 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.742 -0.384 17668 9074 1 24 . 1 1 54 54 GLU C C 59 178.308 178.308 177.939 0.369 17668 9075 1 24 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.595 1.148 17668 9076 1 24 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.831 0.409 17668 9077 1 24 . 1 1 54 54 GLU H H 59 8.930 8.930 8.847 0.083 17668 9078 1 24 . 1 1 55 55 ILE N N 60 118.086 118.086 120.890 -2.804 17668 9079 1 24 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.675 0.063 17668 9080 1 24 . 1 1 55 55 ILE C C 60 177.448 177.448 177.874 -0.426 17668 9081 1 24 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.625 -0.876 17668 9082 1 24 . 1 1 55 55 ILE CB C 60 37.515 37.515 37.828 -0.313 17668 9083 1 24 . 1 1 55 55 ILE H H 60 7.583 7.583 7.574 0.009 17668 9084 1 24 . 1 1 56 56 THR N N 61 119.727 119.727 113.928 5.799 17668 9085 1 24 . 1 1 56 56 THR HA H 61 3.766 3.766 4.180 -0.414 17668 9086 1 24 . 1 1 56 56 THR C C 61 177.104 177.104 175.412 1.692 17668 9087 1 24 . 1 1 56 56 THR CA C 61 66.264 66.264 65.745 0.519 17668 9088 1 24 . 1 1 56 56 THR CB C 61 68.245 68.245 68.507 -0.261 17668 9089 1 24 . 1 1 56 56 THR H H 61 7.471 7.471 7.980 -0.509 17668 9090 1 24 . 1 1 57 57 ILE N N 62 121.367 121.367 122.594 -1.227 17668 9091 1 24 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.063 -1.032 17668 9092 1 24 . 1 1 57 57 ILE C C 62 176.756 176.756 176.246 0.510 17668 9093 1 24 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.078 3.682 17668 9094 1 24 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.509 -0.258 17668 9095 1 24 . 1 1 57 57 ILE H H 62 7.259 7.259 7.344 -0.085 17668 9096 1 24 . 1 1 58 58 GLN N N 63 117.539 117.539 121.330 -3.791 17668 9097 1 24 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.796 -0.194 17668 9098 1 24 . 1 1 58 58 GLN C C 63 179.172 179.172 178.140 1.032 17668 9099 1 24 . 1 1 58 58 GLN CA C 63 59.755 59.755 60.057 -0.302 17668 9100 1 24 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.769 -1.035 17668 9101 1 24 . 1 1 58 58 GLN H H 63 7.976 7.976 8.413 -0.437 17668 9102 1 24 . 1 1 59 59 GLU N N 64 119.180 119.180 118.641 0.539 17668 9103 1 24 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.050 -0.176 17668 9104 1 24 . 1 1 59 59 GLU C C 64 179.866 179.866 179.196 0.670 17668 9105 1 24 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.235 0.024 17668 9106 1 24 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.024 0.676 17668 9107 1 24 . 1 1 59 59 GLU H H 64 8.622 8.622 7.873 0.749 17668 9108 1 24 . 1 1 60 60 ARG N N 65 119.727 119.727 117.701 2.026 17668 9109 1 24 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.144 -0.051 17668 9110 1 24 . 1 1 60 60 ARG C C 65 178.310 178.310 178.082 0.228 17668 9111 1 24 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.732 -1.476 17668 9112 1 24 . 1 1 60 60 ARG CB C 65 28.748 28.748 30.068 -1.320 17668 9113 1 24 . 1 1 60 60 ARG H H 65 7.891 7.891 8.538 -0.647 17668 9114 1 24 . 1 1 61 61 ILE N N 66 118.086 118.086 118.068 0.018 17668 9115 1 24 . 1 1 61 61 ILE HA H 66 3.547 3.547 4.224 -0.677 17668 9116 1 24 . 1 1 61 61 ILE C C 66 178.311 178.311 176.916 1.395 17668 9117 1 24 . 1 1 61 61 ILE CA C 66 64.745 64.745 63.766 0.979 17668 9118 1 24 . 1 1 61 61 ILE CB C 66 37.681 37.681 38.982 -1.301 17668 9119 1 24 . 1 1 61 61 ILE H H 66 7.443 7.443 7.693 -0.250 17668 9120 1 24 . 1 1 62 62 ALA N N 67 121.914 121.914 122.575 -0.661 17668 9121 1 24 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.577 -0.048 17668 9122 1 24 . 1 1 62 62 ALA C C 67 182.626 182.626 179.128 3.498 17668 9123 1 24 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.117 0.133 17668 9124 1 24 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.827 -1.092 17668 9125 1 24 . 1 1 62 62 ALA H H 67 8.116 8.116 8.398 -0.282 17668 9126 1 24 . 1 1 63 63 ALA N N 68 121.367 121.367 121.011 0.356 17668 9127 1 24 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.196 -0.184 17668 9128 1 24 . 1 1 63 63 ALA C C 68 179.690 179.690 179.189 0.501 17668 9129 1 24 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.114 0.145 17668 9130 1 24 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.654 -0.433 17668 9131 1 24 . 1 1 63 63 ALA H H 68 7.948 7.948 7.929 0.019 17668 9132 1 24 . 1 1 64 64 LEU N N 69 116.445 116.445 116.342 0.103 17668 9133 1 24 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.106 0.041 17668 9134 1 24 . 1 1 64 64 LEU C C 69 176.931 176.931 177.088 -0.157 17668 9135 1 24 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.939 0.306 17668 9136 1 24 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.116 2.125 17668 9137 1 24 . 1 1 64 64 LEU H H 69 7.247 7.247 8.059 -0.812 17668 9138 1 24 . 1 1 65 65 GLY N N 70 103.867 103.867 104.216 -0.349 17668 9139 1 24 . 1 1 65 65 GLY C C 70 173.651 173.651 173.729 -0.078 17668 9140 1 24 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.281 0.192 17668 9141 1 24 . 1 1 65 65 GLY H H 70 7.668 7.668 7.469 0.199 17668 9142 1 24 . 1 1 66 66 TYR N N 71 119.180 119.180 117.580 1.600 17668 9143 1 24 . 1 1 66 66 TYR C C 71 174.513 174.513 174.666 -0.153 17668 9144 1 24 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.160 0.860 17668 9145 1 24 . 1 1 66 66 TYR CB C 71 39.502 39.502 40.248 -0.746 17668 9146 1 24 . 1 1 66 66 TYR H H 71 6.798 6.798 7.793 -0.995 17668 9147 1 24 . 1 1 67 67 THR N N 72 109.883 109.883 113.151 -3.268 17668 9148 1 24 . 1 1 67 67 THR C C 72 173.998 173.998 172.984 1.014 17668 9149 1 24 . 1 1 67 67 THR CA C 72 60.249 60.249 60.720 -0.471 17668 9150 1 24 . 1 1 67 67 THR CB C 72 71.254 71.254 70.413 0.841 17668 9151 1 24 . 1 1 67 67 THR H H 72 8.144 8.144 8.551 -0.407 17668 9152 1 24 . 1 1 68 68 LEU N N 73 122.461 122.461 117.435 5.026 17668 9153 1 24 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.279 -0.233 17668 9154 1 24 . 1 1 68 68 LEU C C 73 174.168 174.168 174.584 -0.416 17668 9155 1 24 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.856 -0.605 17668 9156 1 24 . 1 1 68 68 LEU CB C 73 43.743 43.743 46.381 -2.638 17668 9157 1 24 . 1 1 68 68 LEU H H 73 8.397 8.397 8.416 -0.019 17668 9158 1 24 . 1 1 69 69 ALA N N 74 125.195 125.195 121.701 3.494 17668 9159 1 24 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.703 -0.365 17668 9160 1 24 . 1 1 69 69 ALA C C 74 176.931 176.931 175.280 1.651 17668 9161 1 24 . 1 1 69 69 ALA CA C 74 55.254 55.254 52.281 2.974 17668 9162 1 24 . 1 1 69 69 ALA CB C 74 18.225 18.225 22.110 -3.885 17668 9163 1 24 . 1 1 69 69 ALA H H 74 8.200 8.200 8.778 -0.578 17668 9164 1 24 . 1 1 70 70 GLU N N 75 120.820 120.820 123.330 -2.510 17668 9165 1 24 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.782 -0.308 17668 9166 1 24 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.319 2.139 17668 9167 1 24 . 1 1 70 70 GLU CB C 75 29.591 29.591 31.750 -2.159 17668 9168 1 24 . 1 1 70 70 GLU H H 75 8.397 8.397 8.677 -0.280 17668 9169 1 25 . 1 1 2 2 LEU N N 7 119.727 119.727 116.683 3.044 17668 9170 1 25 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.405 -0.067 17668 9171 1 25 . 1 1 2 2 LEU C C 7 176.410 176.410 176.774 -0.364 17668 9172 1 25 . 1 1 2 2 LEU CA C 7 54.010 54.010 55.501 -1.491 17668 9173 1 25 . 1 1 2 2 LEU CB C 7 43.226 43.226 42.079 1.147 17668 9174 1 25 . 1 1 2 2 LEU H H 7 7.919 7.919 8.275 -0.356 17668 9175 1 25 . 1 1 3 3 LYS N N 8 123.008 123.008 121.151 1.857 17668 9176 1 25 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.632 -0.267 17668 9177 1 25 . 1 1 3 3 LYS C C 8 174.512 174.512 174.891 -0.379 17668 9178 1 25 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.521 0.220 17668 9179 1 25 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.449 0.274 17668 9180 1 25 . 1 1 3 3 LYS H H 8 8.650 8.650 8.510 0.140 17668 9181 1 25 . 1 1 4 4 THR N N 9 120.273 120.273 118.575 1.698 17668 9182 1 25 . 1 1 4 4 THR HA H 9 5.372 5.372 5.046 0.326 17668 9183 1 25 . 1 1 4 4 THR C C 9 174.170 174.170 174.256 -0.086 17668 9184 1 25 . 1 1 4 4 THR CA C 9 61.756 61.756 61.724 0.032 17668 9185 1 25 . 1 1 4 4 THR CB C 9 70.757 70.757 69.564 1.193 17668 9186 1 25 . 1 1 4 4 THR H H 9 8.481 8.481 8.351 0.130 17668 9187 1 25 . 1 1 5 5 GLN N N 10 126.836 126.836 122.754 4.082 17668 9188 1 25 . 1 1 5 5 GLN C C 10 173.651 173.651 173.264 0.387 17668 9189 1 25 . 1 1 5 5 GLN CA C 10 54.236 54.236 54.849 -0.613 17668 9190 1 25 . 1 1 5 5 GLN CB C 10 34.484 34.484 31.699 2.785 17668 9191 1 25 . 1 1 5 5 GLN H H 10 9.295 9.295 8.886 0.409 17668 9192 1 25 . 1 1 6 6 GLN N N 11 121.367 121.367 118.280 3.087 17668 9193 1 25 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.464 0.182 17668 9194 1 25 . 1 1 6 6 GLN C C 11 176.069 176.069 174.850 1.219 17668 9195 1 25 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.723 -0.963 17668 9196 1 25 . 1 1 6 6 GLN CB C 11 31.237 31.237 32.742 -1.504 17668 9197 1 25 . 1 1 6 6 GLN H H 11 8.425 8.425 8.475 -0.050 17668 9198 1 25 . 1 1 7 7 MET N N 12 120.273 120.273 116.068 4.205 17668 9199 1 25 . 1 1 7 7 MET C C 12 173.824 173.824 173.541 0.283 17668 9200 1 25 . 1 1 7 7 MET CA C 12 54.598 54.598 54.640 -0.042 17668 9201 1 25 . 1 1 7 7 MET CB C 12 37.258 37.258 35.737 1.521 17668 9202 1 25 . 1 1 7 7 MET H H 12 9.294 9.294 9.043 0.251 17668 9203 1 25 . 1 1 8 8 GLN N N 13 122.461 122.461 118.121 4.340 17668 9204 1 25 . 1 1 8 8 GLN C C 13 174.863 174.863 175.009 -0.146 17668 9205 1 25 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.907 -0.154 17668 9206 1 25 . 1 1 8 8 GLN CB C 13 30.243 30.243 31.618 -1.375 17668 9207 1 25 . 1 1 8 8 GLN H H 13 8.790 8.790 8.318 0.472 17668 9208 1 25 . 1 1 9 9 VAL N N 14 126.289 126.289 118.748 7.541 17668 9209 1 25 . 1 1 9 9 VAL C C 14 176.586 176.586 174.035 2.551 17668 9210 1 25 . 1 1 9 9 VAL CA C 14 61.255 61.255 61.141 0.114 17668 9211 1 25 . 1 1 9 9 VAL CB C 14 33.467 33.467 36.090 -2.623 17668 9212 1 25 . 1 1 9 9 VAL H H 14 8.930 8.930 7.836 1.094 17668 9213 1 25 . 1 1 10 10 GLY N N 15 117.539 117.539 113.682 3.857 17668 9214 1 25 . 1 1 10 10 GLY C C 15 173.997 173.997 175.075 -1.078 17668 9215 1 25 . 1 1 10 10 GLY CA C 15 44.245 44.245 45.172 -0.927 17668 9216 1 25 . 1 1 10 10 GLY H H 15 9.351 9.351 8.545 0.806 17668 9217 1 25 . 1 1 11 11 GLY N N 16 107.149 107.149 112.233 -5.084 17668 9218 1 25 . 1 1 11 11 GLY C C 16 176.067 176.067 175.441 0.626 17668 9219 1 25 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.999 -0.743 17668 9220 1 25 . 1 1 11 11 GLY H H 16 8.284 8.284 8.524 -0.240 17668 9221 1 25 . 1 1 12 12 MET N N 17 118.633 118.633 118.792 -0.159 17668 9222 1 25 . 1 1 12 12 MET C C 17 177.102 177.102 175.891 1.211 17668 9223 1 25 . 1 1 12 12 MET CA C 17 57.740 57.740 54.667 3.073 17668 9224 1 25 . 1 1 12 12 MET CB C 17 34.243 34.243 31.379 2.864 17668 9225 1 25 . 1 1 12 12 MET H H 17 8.509 8.509 7.229 1.280 17668 9226 1 25 . 1 1 13 13 ARG N N 18 126.836 126.836 117.604 9.232 17668 9227 1 25 . 1 1 13 13 ARG C C 18 175.032 175.032 177.586 -2.554 17668 9228 1 25 . 1 1 13 13 ARG CA C 18 57.239 57.239 55.756 1.483 17668 9229 1 25 . 1 1 13 13 ARG CB C 18 32.744 32.744 31.468 1.276 17668 9230 1 25 . 1 1 13 13 ARG H H 18 10.782 10.782 7.432 3.350 17668 9231 1 25 . 1 1 14 14 CYS N N 19 114.805 114.805 119.863 -5.058 17668 9232 1 25 . 1 1 14 14 CYS CA C 19 56.217 56.217 60.868 -4.651 17668 9233 1 25 . 1 1 14 14 CYS CB C 19 30.413 30.413 26.615 3.798 17668 9234 1 25 . 1 1 14 14 CYS H H 19 8.425 8.425 9.103 -0.678 17668 9235 1 25 . 1 1 15 15 ALA CA C 20 51.257 51.257 52.210 -0.953 17668 9236 1 25 . 1 1 15 15 ALA CB C 20 19.247 19.247 19.753 -0.506 17668 9237 1 25 . 1 1 16 16 ALA N N 21 118.906 118.906 120.365 -1.459 17668 9238 1 25 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.378 -0.231 17668 9239 1 25 . 1 1 16 16 ALA C C 21 180.553 180.553 179.148 1.405 17668 9240 1 25 . 1 1 16 16 ALA CA C 21 54.756 54.756 52.944 1.812 17668 9241 1 25 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.188 0.045 17668 9242 1 25 . 1 1 17 17 CYS N N 22 121.914 121.914 117.564 4.350 17668 9243 1 25 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.108 -0.287 17668 9244 1 25 . 1 1 17 17 CYS C C 22 177.966 177.966 176.834 1.132 17668 9245 1 25 . 1 1 17 17 CYS CA C 22 64.748 64.748 61.963 2.785 17668 9246 1 25 . 1 1 17 17 CYS CB C 22 29.245 29.245 26.928 2.317 17668 9247 1 25 . 1 1 17 17 CYS H H 22 7.640 7.640 8.341 -0.701 17668 9248 1 25 . 1 1 18 18 ALA N N 23 119.180 119.180 121.950 -2.770 17668 9249 1 25 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.943 -0.340 17668 9250 1 25 . 1 1 18 18 ALA C C 23 179.173 179.173 178.942 0.231 17668 9251 1 25 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.738 0.520 17668 9252 1 25 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.139 0.602 17668 9253 1 25 . 1 1 18 18 ALA H H 23 6.629 6.629 8.622 -1.993 17668 9254 1 25 . 1 1 19 19 SER N N 24 112.618 112.618 113.786 -1.168 17668 9255 1 25 . 1 1 19 19 SER HA H 24 4.147 4.147 4.306 -0.159 17668 9256 1 25 . 1 1 19 19 SER C C 24 176.764 176.764 176.557 0.207 17668 9257 1 25 . 1 1 19 19 SER CA C 24 61.259 61.259 61.487 -0.228 17668 9258 1 25 . 1 1 19 19 SER CB C 24 62.754 62.754 62.888 -0.134 17668 9259 1 25 . 1 1 19 19 SER H H 24 7.752 7.752 8.171 -0.419 17668 9260 1 25 . 1 1 20 20 SER N N 25 116.992 116.992 117.470 -0.478 17668 9261 1 25 . 1 1 20 20 SER HA H 25 3.521 3.521 4.312 -0.791 17668 9262 1 25 . 1 1 20 20 SER C C 25 177.448 177.448 175.114 2.334 17668 9263 1 25 . 1 1 20 20 SER CA C 25 61.870 61.870 60.741 1.129 17668 9264 1 25 . 1 1 20 20 SER CB C 25 62.751 62.751 63.082 -0.331 17668 9265 1 25 . 1 1 20 20 SER H H 25 7.989 7.989 7.836 0.153 17668 9266 1 25 . 1 1 21 21 ILE N N 26 122.461 122.461 121.117 1.344 17668 9267 1 25 . 1 1 21 21 ILE HA H 26 3.330 3.330 4.073 -0.743 17668 9268 1 25 . 1 1 21 21 ILE C C 26 176.930 176.930 177.412 -0.482 17668 9269 1 25 . 1 1 21 21 ILE CA C 26 66.255 66.255 61.793 4.462 17668 9270 1 25 . 1 1 21 21 ILE CB C 26 38.237 38.237 37.746 0.491 17668 9271 1 25 . 1 1 21 21 ILE H H 26 7.583 7.583 7.233 0.350 17668 9272 1 25 . 1 1 22 22 GLU N N 27 116.992 116.992 121.286 -4.294 17668 9273 1 25 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.909 -0.443 17668 9274 1 25 . 1 1 22 22 GLU C C 27 178.916 178.916 178.792 0.124 17668 9275 1 25 . 1 1 22 22 GLU CA C 27 60.753 60.753 60.075 0.678 17668 9276 1 25 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.668 0.039 17668 9277 1 25 . 1 1 22 22 GLU H H 27 8.004 8.004 8.528 -0.524 17668 9278 1 25 . 1 1 23 23 ARG N N 28 114.805 114.805 118.867 -4.062 17668 9279 1 25 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.087 -0.131 17668 9280 1 25 . 1 1 23 23 ARG C C 28 179.517 179.517 177.818 1.699 17668 9281 1 25 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.897 -0.145 17668 9282 1 25 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.259 0.487 17668 9283 1 25 . 1 1 23 23 ARG H H 28 8.256 8.256 8.227 0.029 17668 9284 1 25 . 1 1 24 24 ALA N N 29 118.633 118.633 120.794 -2.161 17668 9285 1 25 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.295 -0.338 17668 9286 1 25 . 1 1 24 24 ALA C C 29 181.073 181.073 179.493 1.580 17668 9287 1 25 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.584 1.165 17668 9288 1 25 . 1 1 24 24 ALA CB C 29 18.729 18.729 19.222 -0.493 17668 9289 1 25 . 1 1 24 24 ALA H H 29 7.555 7.555 7.580 -0.025 17668 9290 1 25 . 1 1 25 25 LEU N N 30 115.899 115.899 120.725 -4.826 17668 9291 1 25 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.181 -0.197 17668 9292 1 25 . 1 1 25 25 LEU C C 30 178.658 178.658 178.118 0.540 17668 9293 1 25 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.087 0.134 17668 9294 1 25 . 1 1 25 25 LEU CB C 30 41.248 41.248 42.175 -0.927 17668 9295 1 25 . 1 1 25 25 LEU H H 30 7.976 7.976 8.331 -0.355 17668 9296 1 25 . 1 1 26 26 GLU N N 31 115.899 115.899 116.815 -0.916 17668 9297 1 25 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.231 -0.493 17668 9298 1 25 . 1 1 26 26 GLU C C 31 177.793 177.793 177.723 0.070 17668 9299 1 25 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.784 0.943 17668 9300 1 25 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.793 -0.552 17668 9301 1 25 . 1 1 26 26 GLU H H 31 8.116 8.116 8.003 0.113 17668 9302 1 25 . 1 1 27 27 ARG N N 32 114.258 114.258 117.974 -3.716 17668 9303 1 25 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.561 -0.414 17668 9304 1 25 . 1 1 27 27 ARG C C 32 176.757 176.757 176.707 0.050 17668 9305 1 25 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.325 0.925 17668 9306 1 25 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.493 -0.749 17668 9307 1 25 . 1 1 27 27 ARG H H 32 6.854 6.854 7.819 -0.965 17668 9308 1 25 . 1 1 28 28 LEU N N 33 123.008 123.008 123.014 -0.006 17668 9309 1 25 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.125 0.077 17668 9310 1 25 . 1 1 28 28 LEU C C 33 176.412 176.412 176.318 0.094 17668 9311 1 25 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.132 -0.883 17668 9312 1 25 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.282 -0.543 17668 9313 1 25 . 1 1 28 28 LEU H H 33 7.501 7.501 7.552 -0.051 17668 9314 1 25 . 1 1 29 29 LYS N N 34 127.383 127.383 121.703 5.680 17668 9315 1 25 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.209 -0.335 17668 9316 1 25 . 1 1 29 29 LYS C C 34 176.412 176.412 178.026 -1.614 17668 9317 1 25 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.918 1.324 17668 9318 1 25 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.564 -0.818 17668 9319 1 25 . 1 1 29 29 LYS H H 34 8.341 8.341 8.209 0.132 17668 9320 1 25 . 1 1 30 30 GLY N N 35 111.524 111.524 109.090 2.434 17668 9321 1 25 . 1 1 30 30 GLY C C 35 175.715 175.715 174.136 1.579 17668 9322 1 25 . 1 1 30 30 GLY CA C 35 45.488 45.488 46.530 -1.042 17668 9323 1 25 . 1 1 30 30 GLY H H 35 8.509 8.509 8.592 -0.083 17668 9324 1 25 . 1 1 31 31 VAL N N 36 122.461 122.461 118.707 3.754 17668 9325 1 25 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.298 -0.424 17668 9326 1 25 . 1 1 31 31 VAL C C 36 175.032 175.032 174.813 0.219 17668 9327 1 25 . 1 1 31 31 VAL CA C 36 63.757 63.757 62.689 1.068 17668 9328 1 25 . 1 1 31 31 VAL CB C 36 31.250 31.250 32.148 -0.898 17668 9329 1 25 . 1 1 31 31 VAL H H 36 7.892 7.892 7.682 0.210 17668 9330 1 25 . 1 1 32 32 ALA N N 37 131.758 131.758 127.956 3.802 17668 9331 1 25 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.664 -0.299 17668 9332 1 25 . 1 1 32 32 ALA C C 37 177.619 177.619 176.875 0.744 17668 9333 1 25 . 1 1 32 32 ALA CA C 37 53.246 53.246 51.975 1.271 17668 9334 1 25 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.657 -0.935 17668 9335 1 25 . 1 1 32 32 ALA H H 37 9.042 9.042 8.913 0.129 17668 9336 1 25 . 1 1 33 33 GLU N N 38 114.258 114.258 117.764 -3.506 17668 9337 1 25 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.627 -0.126 17668 9338 1 25 . 1 1 33 33 GLU C C 38 173.651 173.651 173.946 -0.295 17668 9339 1 25 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.440 -0.863 17668 9340 1 25 . 1 1 33 33 GLU CB C 38 33.666 33.666 33.270 0.396 17668 9341 1 25 . 1 1 33 33 GLU H H 38 7.555 7.555 7.878 -0.323 17668 9342 1 25 . 1 1 34 34 ALA N N 39 125.742 125.742 125.918 -0.176 17668 9343 1 25 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.181 -0.080 17668 9344 1 25 . 1 1 34 34 ALA C C 39 175.033 175.033 175.760 -0.727 17668 9345 1 25 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.835 -0.555 17668 9346 1 25 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.180 1.057 17668 9347 1 25 . 1 1 34 34 ALA H H 39 9.014 9.014 8.510 0.504 17668 9348 1 25 . 1 1 35 35 SER N N 40 113.711 113.711 114.332 -0.621 17668 9349 1 25 . 1 1 35 35 SER HA H 40 4.855 4.855 5.059 -0.204 17668 9350 1 25 . 1 1 35 35 SER C C 40 173.824 173.824 173.485 0.339 17668 9351 1 25 . 1 1 35 35 SER CA C 40 56.254 56.254 57.965 -1.711 17668 9352 1 25 . 1 1 35 35 SER CB C 40 65.255 65.255 66.917 -1.662 17668 9353 1 25 . 1 1 35 35 SER H H 40 8.481 8.481 8.736 -0.255 17668 9354 1 25 . 1 1 36 36 VAL N N 41 129.570 129.570 120.283 9.287 17668 9355 1 25 . 1 1 36 36 VAL C C 41 175.204 175.204 176.074 -0.870 17668 9356 1 25 . 1 1 36 36 VAL CA C 41 60.265 60.265 60.492 -0.227 17668 9357 1 25 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.809 0.934 17668 9358 1 25 . 1 1 36 36 VAL H H 41 10.164 10.164 8.331 1.833 17668 9359 1 25 . 1 1 37 37 THR N N 42 123.008 123.008 121.318 1.690 17668 9360 1 25 . 1 1 37 37 THR HA H 42 4.392 4.392 4.686 -0.294 17668 9361 1 25 . 1 1 37 37 THR C C 42 175.030 175.030 174.785 0.245 17668 9362 1 25 . 1 1 37 37 THR CA C 42 60.760 60.760 61.842 -1.082 17668 9363 1 25 . 1 1 37 37 THR CB C 42 69.255 69.255 69.139 0.116 17668 9364 1 25 . 1 1 37 37 THR H H 42 8.453 8.453 8.412 0.041 17668 9365 1 25 . 1 1 38 38 VAL N N 43 128.476 128.476 128.135 0.341 17668 9366 1 25 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.942 -0.640 17668 9367 1 25 . 1 1 38 38 VAL C C 43 176.067 176.067 177.824 -1.757 17668 9368 1 25 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.528 -2.260 17668 9369 1 25 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.995 0.232 17668 9370 1 25 . 1 1 38 38 VAL H H 43 8.789 8.789 8.755 0.034 17668 9371 1 25 . 1 1 39 39 ALA N N 44 119.180 119.180 122.420 -3.240 17668 9372 1 25 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.180 -0.196 17668 9373 1 25 . 1 1 39 39 ALA C C 44 179.167 179.167 178.547 0.620 17668 9374 1 25 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.910 0.315 17668 9375 1 25 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.287 0.708 17668 9376 1 25 . 1 1 39 39 ALA H H 44 8.509 8.509 8.335 0.174 17668 9377 1 25 . 1 1 40 40 THR N N 45 135.586 135.586 107.012 28.574 17668 9378 1 25 . 1 1 40 40 THR HA H 45 4.338 4.338 4.378 -0.040 17668 9379 1 25 . 1 1 40 40 THR C C 45 176.237 176.237 175.567 0.670 17668 9380 1 25 . 1 1 40 40 THR CA C 45 60.254 60.254 61.862 -1.608 17668 9381 1 25 . 1 1 40 40 THR CB C 45 70.261 70.261 70.589 -0.328 17668 9382 1 25 . 1 1 40 40 THR H H 45 6.713 6.713 7.555 -0.842 17668 9383 1 25 . 1 1 41 41 GLY N N 46 110.977 110.977 112.770 -1.793 17668 9384 1 25 . 1 1 41 41 GLY C C 46 172.096 172.096 172.803 -0.707 17668 9385 1 25 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.575 0.649 17668 9386 1 25 . 1 1 41 41 GLY H H 46 7.835 7.835 8.047 -0.212 17668 9387 1 25 . 1 1 42 42 ARG N N 47 118.086 118.086 118.829 -0.743 17668 9388 1 25 . 1 1 42 42 ARG C C 47 175.032 175.032 174.254 0.778 17668 9389 1 25 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.217 2.033 17668 9390 1 25 . 1 1 42 42 ARG CB C 47 31.739 31.739 34.807 -3.068 17668 9391 1 25 . 1 1 42 42 ARG H H 47 7.303 7.303 8.093 -0.790 17668 9392 1 25 . 1 1 43 43 LEU N N 48 129.023 129.023 119.947 9.076 17668 9393 1 25 . 1 1 43 43 LEU HA H 48 5.019 5.019 4.890 0.129 17668 9394 1 25 . 1 1 43 43 LEU C C 48 175.033 175.033 174.948 0.085 17668 9395 1 25 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.605 -0.355 17668 9396 1 25 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.987 -1.906 17668 9397 1 25 . 1 1 43 43 LEU H H 48 8.986 8.986 8.867 0.119 17668 9398 1 25 . 1 1 44 44 THR N N 49 123.008 123.008 118.725 4.283 17668 9399 1 25 . 1 1 44 44 THR HA H 49 4.964 4.964 5.357 -0.393 17668 9400 1 25 . 1 1 44 44 THR C C 49 173.475 173.475 172.678 0.797 17668 9401 1 25 . 1 1 44 44 THR CA C 49 61.752 61.752 61.673 0.078 17668 9402 1 25 . 1 1 44 44 THR CB C 49 69.756 69.756 70.903 -1.147 17668 9403 1 25 . 1 1 44 44 THR H H 49 9.154 9.154 8.353 0.801 17668 9404 1 25 . 1 1 45 45 VAL N N 50 125.195 125.195 125.345 -0.150 17668 9405 1 25 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.799 0.383 17668 9406 1 25 . 1 1 45 45 VAL C C 50 172.614 172.614 173.209 -0.595 17668 9407 1 25 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.352 -1.590 17668 9408 1 25 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.517 -0.066 17668 9409 1 25 . 1 1 45 45 VAL H H 50 9.071 9.071 9.377 -0.306 17668 9410 1 25 . 1 1 46 46 THR N N 51 124.648 124.648 124.612 0.036 17668 9411 1 25 . 1 1 46 46 THR HA H 51 5.782 5.782 5.262 0.520 17668 9412 1 25 . 1 1 46 46 THR C C 51 174.684 174.684 173.351 1.333 17668 9413 1 25 . 1 1 46 46 THR CA C 51 61.248 61.248 61.097 0.151 17668 9414 1 25 . 1 1 46 46 THR CB C 51 70.265 70.265 69.585 0.680 17668 9415 1 25 . 1 1 46 46 THR H H 51 8.930 8.930 9.045 -0.115 17668 9416 1 25 . 1 1 47 47 TYR N N 52 124.648 124.648 124.119 0.529 17668 9417 1 25 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.256 0.035 17668 9418 1 25 . 1 1 47 47 TYR C C 52 171.408 171.408 173.016 -1.608 17668 9419 1 25 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.175 0.070 17668 9420 1 25 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.246 0.508 17668 9421 1 25 . 1 1 47 47 TYR H H 52 9.603 9.603 8.576 1.027 17668 9422 1 25 . 1 1 48 48 ASP N N 53 119.180 119.180 121.906 -2.726 17668 9423 1 25 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.097 -0.132 17668 9424 1 25 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.992 -0.983 17668 9425 1 25 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.312 -1.754 17668 9426 1 25 . 1 1 48 48 ASP H H 53 8.481 8.481 8.509 -0.028 17668 9427 1 25 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.993 0.380 17668 9428 1 25 . 1 1 49 49 PRO C C 54 178.311 178.311 176.656 1.655 17668 9429 1 25 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.889 -0.626 17668 9430 1 25 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.837 0.406 17668 9431 1 25 . 1 1 50 50 LYS N N 55 116.992 116.992 117.615 -0.623 17668 9432 1 25 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.432 -0.312 17668 9433 1 25 . 1 1 50 50 LYS C C 55 177.802 177.802 178.214 -0.412 17668 9434 1 25 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.847 0.879 17668 9435 1 25 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.647 -1.782 17668 9436 1 25 . 1 1 50 50 LYS H H 55 8.284 8.284 7.880 0.404 17668 9437 1 25 . 1 1 51 51 GLN N N 56 115.352 115.352 118.839 -3.487 17668 9438 1 25 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.129 0.182 17668 9439 1 25 . 1 1 51 51 GLN C C 56 175.031 175.031 176.759 -1.728 17668 9440 1 25 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.290 -1.534 17668 9441 1 25 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.294 3.458 17668 9442 1 25 . 1 1 51 51 GLN H H 56 7.864 7.864 8.709 -0.845 17668 9443 1 25 . 1 1 52 52 VAL N N 57 120.273 120.273 110.451 9.822 17668 9444 1 25 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.568 -0.175 17668 9445 1 25 . 1 1 52 52 VAL C C 57 170.718 170.718 173.607 -2.889 17668 9446 1 25 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.584 0.188 17668 9447 1 25 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.501 -0.273 17668 9448 1 25 . 1 1 52 52 VAL H H 57 8.172 8.172 7.933 0.239 17668 9449 1 25 . 1 1 53 53 SER N N 58 116.992 116.992 112.422 4.570 17668 9450 1 25 . 1 1 53 53 SER C C 58 175.377 175.377 175.452 -0.075 17668 9451 1 25 . 1 1 53 53 SER CA C 58 55.251 55.251 56.862 -1.611 17668 9452 1 25 . 1 1 53 53 SER CB C 58 66.750 66.750 66.986 -0.236 17668 9453 1 25 . 1 1 53 53 SER H H 58 7.611 7.611 8.070 -0.459 17668 9454 1 25 . 1 1 54 54 GLU N N 59 120.820 120.820 121.677 -0.857 17668 9455 1 25 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.852 -0.494 17668 9456 1 25 . 1 1 54 54 GLU C C 59 178.308 178.308 178.278 0.030 17668 9457 1 25 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.957 0.786 17668 9458 1 25 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.609 0.631 17668 9459 1 25 . 1 1 54 54 GLU H H 59 8.930 8.930 8.824 0.106 17668 9460 1 25 . 1 1 55 55 ILE N N 60 118.086 118.086 120.271 -2.185 17668 9461 1 25 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.843 -0.105 17668 9462 1 25 . 1 1 55 55 ILE C C 60 177.448 177.448 178.474 -1.026 17668 9463 1 25 . 1 1 55 55 ILE CA C 60 63.749 63.749 63.989 -0.240 17668 9464 1 25 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.731 0.784 17668 9465 1 25 . 1 1 55 55 ILE H H 60 7.583 7.583 7.505 0.078 17668 9466 1 25 . 1 1 56 56 THR N N 61 119.727 119.727 114.227 5.500 17668 9467 1 25 . 1 1 56 56 THR HA H 61 3.766 3.766 3.970 -0.204 17668 9468 1 25 . 1 1 56 56 THR C C 61 177.104 177.104 175.779 1.325 17668 9469 1 25 . 1 1 56 56 THR CA C 61 66.264 66.264 66.971 -0.706 17668 9470 1 25 . 1 1 56 56 THR CB C 61 68.245 68.245 68.558 -0.313 17668 9471 1 25 . 1 1 56 56 THR H H 61 7.471 7.471 8.015 -0.544 17668 9472 1 25 . 1 1 57 57 ILE N N 62 121.367 121.367 119.434 1.933 17668 9473 1 25 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.005 -0.974 17668 9474 1 25 . 1 1 57 57 ILE C C 62 176.756 176.756 176.536 0.220 17668 9475 1 25 . 1 1 57 57 ILE CA C 62 65.760 65.760 61.987 3.773 17668 9476 1 25 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.152 0.099 17668 9477 1 25 . 1 1 57 57 ILE H H 62 7.259 7.259 7.350 -0.091 17668 9478 1 25 . 1 1 58 58 GLN N N 63 117.539 117.539 120.695 -3.156 17668 9479 1 25 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.840 -0.238 17668 9480 1 25 . 1 1 58 58 GLN C C 63 179.172 179.172 178.428 0.744 17668 9481 1 25 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.783 -0.028 17668 9482 1 25 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.466 -0.732 17668 9483 1 25 . 1 1 58 58 GLN H H 63 7.976 7.976 8.676 -0.700 17668 9484 1 25 . 1 1 59 59 GLU N N 64 119.180 119.180 117.663 1.517 17668 9485 1 25 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.055 -0.181 17668 9486 1 25 . 1 1 59 59 GLU C C 64 179.866 179.866 179.082 0.784 17668 9487 1 25 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.340 -0.081 17668 9488 1 25 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.351 0.349 17668 9489 1 25 . 1 1 59 59 GLU H H 64 8.622 8.622 8.283 0.339 17668 9490 1 25 . 1 1 60 60 ARG N N 65 119.727 119.727 120.160 -0.433 17668 9491 1 25 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.211 -0.118 17668 9492 1 25 . 1 1 60 60 ARG C C 65 178.310 178.310 178.793 -0.483 17668 9493 1 25 . 1 1 60 60 ARG CA C 65 57.256 57.256 57.983 -0.727 17668 9494 1 25 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.576 -0.828 17668 9495 1 25 . 1 1 60 60 ARG H H 65 7.891 7.891 7.522 0.369 17668 9496 1 25 . 1 1 61 61 ILE N N 66 118.086 118.086 119.840 -1.754 17668 9497 1 25 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.794 -0.247 17668 9498 1 25 . 1 1 61 61 ILE C C 66 178.311 178.311 177.552 0.759 17668 9499 1 25 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.012 -0.267 17668 9500 1 25 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.933 -0.252 17668 9501 1 25 . 1 1 61 61 ILE H H 66 7.443 7.443 8.037 -0.594 17668 9502 1 25 . 1 1 62 62 ALA N N 67 121.914 121.914 121.724 0.190 17668 9503 1 25 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.445 0.084 17668 9504 1 25 . 1 1 62 62 ALA C C 67 182.626 182.626 180.089 2.537 17668 9505 1 25 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.540 -0.290 17668 9506 1 25 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.322 -0.587 17668 9507 1 25 . 1 1 62 62 ALA H H 67 8.116 8.116 8.490 -0.374 17668 9508 1 25 . 1 1 63 63 ALA N N 68 121.367 121.367 121.648 -0.281 17668 9509 1 25 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.170 -0.158 17668 9510 1 25 . 1 1 63 63 ALA C C 68 179.690 179.690 178.696 0.994 17668 9511 1 25 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.317 -0.058 17668 9512 1 25 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.693 -0.472 17668 9513 1 25 . 1 1 63 63 ALA H H 68 7.948 7.948 7.877 0.071 17668 9514 1 25 . 1 1 64 64 LEU N N 69 116.445 116.445 117.397 -0.952 17668 9515 1 25 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.357 -0.210 17668 9516 1 25 . 1 1 64 64 LEU C C 69 176.931 176.931 177.284 -0.353 17668 9517 1 25 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.958 0.287 17668 9518 1 25 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.133 2.108 17668 9519 1 25 . 1 1 64 64 LEU H H 69 7.247 7.247 7.808 -0.561 17668 9520 1 25 . 1 1 65 65 GLY N N 70 103.867 103.867 105.600 -1.733 17668 9521 1 25 . 1 1 65 65 GLY C C 70 173.651 173.651 174.500 -0.849 17668 9522 1 25 . 1 1 65 65 GLY CA C 70 44.472 44.472 45.142 -0.669 17668 9523 1 25 . 1 1 65 65 GLY H H 70 7.668 7.668 7.841 -0.173 17668 9524 1 25 . 1 1 66 66 TYR N N 71 119.180 119.180 121.031 -1.851 17668 9525 1 25 . 1 1 66 66 TYR C C 71 174.513 174.513 175.340 -0.827 17668 9526 1 25 . 1 1 66 66 TYR CA C 71 57.020 57.020 57.319 -0.299 17668 9527 1 25 . 1 1 66 66 TYR CB C 71 39.502 39.502 39.809 -0.307 17668 9528 1 25 . 1 1 66 66 TYR H H 71 6.798 6.798 7.667 -0.869 17668 9529 1 25 . 1 1 67 67 THR N N 72 109.883 109.883 112.317 -2.434 17668 9530 1 25 . 1 1 67 67 THR C C 72 173.998 173.998 172.897 1.101 17668 9531 1 25 . 1 1 67 67 THR CA C 72 60.249 60.249 61.336 -1.087 17668 9532 1 25 . 1 1 67 67 THR CB C 72 71.254 71.254 70.965 0.289 17668 9533 1 25 . 1 1 67 67 THR H H 72 8.144 8.144 8.196 -0.052 17668 9534 1 25 . 1 1 68 68 LEU N N 73 122.461 122.461 126.544 -4.083 17668 9535 1 25 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.498 0.548 17668 9536 1 25 . 1 1 68 68 LEU C C 73 174.168 174.168 175.970 -1.802 17668 9537 1 25 . 1 1 68 68 LEU CA C 73 53.252 53.252 54.800 -1.548 17668 9538 1 25 . 1 1 68 68 LEU CB C 73 43.743 43.743 43.798 -0.055 17668 9539 1 25 . 1 1 68 68 LEU H H 73 8.397 8.397 8.788 -0.391 17668 9540 1 25 . 1 1 69 69 ALA N N 74 125.195 125.195 131.421 -6.226 17668 9541 1 25 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.704 -0.366 17668 9542 1 25 . 1 1 69 69 ALA C C 74 176.931 176.931 175.519 1.412 17668 9543 1 25 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.085 4.169 17668 9544 1 25 . 1 1 69 69 ALA CB C 74 18.225 18.225 19.430 -1.205 17668 9545 1 25 . 1 1 69 69 ALA H H 74 8.200 8.200 8.773 -0.573 17668 9546 1 25 . 1 1 70 70 GLU N N 75 120.820 120.820 123.270 -2.450 17668 9547 1 25 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.816 -0.342 17668 9548 1 25 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.421 2.037 17668 9549 1 25 . 1 1 70 70 GLU CB C 75 29.591 29.591 32.236 -2.645 17668 9550 1 25 . 1 1 70 70 GLU H H 75 8.397 8.397 8.547 -0.150 17668 9551 1 26 . 1 1 2 2 LEU N N 7 119.727 119.727 117.701 2.026 17668 9552 1 26 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.810 -0.472 17668 9553 1 26 . 1 1 2 2 LEU C C 7 176.410 176.410 176.423 -0.013 17668 9554 1 26 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.622 -0.612 17668 9555 1 26 . 1 1 2 2 LEU CB C 7 43.226 43.226 42.657 0.569 17668 9556 1 26 . 1 1 2 2 LEU H H 7 7.919 7.919 8.422 -0.503 17668 9557 1 26 . 1 1 3 3 LYS N N 8 123.008 123.008 120.004 3.004 17668 9558 1 26 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.609 -0.244 17668 9559 1 26 . 1 1 3 3 LYS C C 8 174.512 174.512 174.616 -0.104 17668 9560 1 26 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.758 -0.016 17668 9561 1 26 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.434 0.289 17668 9562 1 26 . 1 1 3 3 LYS H H 8 8.650 8.650 8.513 0.137 17668 9563 1 26 . 1 1 4 4 THR N N 9 120.273 120.273 116.536 3.737 17668 9564 1 26 . 1 1 4 4 THR HA H 9 5.372 5.372 4.571 0.801 17668 9565 1 26 . 1 1 4 4 THR C C 9 174.170 174.170 174.188 -0.018 17668 9566 1 26 . 1 1 4 4 THR CA C 9 61.756 61.756 61.602 0.154 17668 9567 1 26 . 1 1 4 4 THR CB C 9 70.757 70.757 69.469 1.288 17668 9568 1 26 . 1 1 4 4 THR H H 9 8.481 8.481 8.348 0.133 17668 9569 1 26 . 1 1 5 5 GLN N N 10 126.836 126.836 123.247 3.589 17668 9570 1 26 . 1 1 5 5 GLN C C 10 173.651 173.651 173.644 0.007 17668 9571 1 26 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.416 -1.181 17668 9572 1 26 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.560 1.924 17668 9573 1 26 . 1 1 5 5 GLN H H 10 9.295 9.295 8.334 0.961 17668 9574 1 26 . 1 1 6 6 GLN N N 11 121.367 121.367 124.313 -2.946 17668 9575 1 26 . 1 1 6 6 GLN HA H 11 5.646 5.646 4.968 0.678 17668 9576 1 26 . 1 1 6 6 GLN C C 11 176.069 176.069 175.580 0.489 17668 9577 1 26 . 1 1 6 6 GLN CA C 11 53.760 53.760 56.044 -2.284 17668 9578 1 26 . 1 1 6 6 GLN CB C 11 31.237 31.237 30.485 0.752 17668 9579 1 26 . 1 1 6 6 GLN H H 11 8.425 8.425 8.621 -0.196 17668 9580 1 26 . 1 1 7 7 MET N N 12 120.273 120.273 119.731 0.542 17668 9581 1 26 . 1 1 7 7 MET C C 12 173.824 173.824 173.496 0.328 17668 9582 1 26 . 1 1 7 7 MET CA C 12 54.598 54.598 55.339 -0.741 17668 9583 1 26 . 1 1 7 7 MET CB C 12 37.258 37.258 36.865 0.393 17668 9584 1 26 . 1 1 7 7 MET H H 12 9.294 9.294 8.542 0.752 17668 9585 1 26 . 1 1 8 8 GLN N N 13 122.461 122.461 123.778 -1.317 17668 9586 1 26 . 1 1 8 8 GLN C C 13 174.863 174.863 173.681 1.182 17668 9587 1 26 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.252 -0.499 17668 9588 1 26 . 1 1 8 8 GLN CB C 13 30.243 30.243 32.036 -1.793 17668 9589 1 26 . 1 1 8 8 GLN H H 13 8.790 8.790 8.781 0.009 17668 9590 1 26 . 1 1 9 9 VAL N N 14 126.289 126.289 122.281 4.008 17668 9591 1 26 . 1 1 9 9 VAL C C 14 176.586 176.586 174.501 2.085 17668 9592 1 26 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.617 0.638 17668 9593 1 26 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.640 -2.173 17668 9594 1 26 . 1 1 9 9 VAL H H 14 8.930 8.930 8.296 0.634 17668 9595 1 26 . 1 1 10 10 GLY N N 15 117.539 117.539 113.832 3.707 17668 9596 1 26 . 1 1 10 10 GLY C C 15 173.997 173.997 174.516 -0.519 17668 9597 1 26 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.676 -0.431 17668 9598 1 26 . 1 1 10 10 GLY H H 15 9.351 9.351 8.882 0.469 17668 9599 1 26 . 1 1 11 11 GLY N N 16 107.149 107.149 111.316 -4.167 17668 9600 1 26 . 1 1 11 11 GLY C C 16 176.067 176.067 174.238 1.829 17668 9601 1 26 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.743 -0.487 17668 9602 1 26 . 1 1 11 11 GLY H H 16 8.284 8.284 8.579 -0.295 17668 9603 1 26 . 1 1 12 12 MET N N 17 118.633 118.633 122.405 -3.772 17668 9604 1 26 . 1 1 12 12 MET C C 17 177.102 177.102 174.761 2.341 17668 9605 1 26 . 1 1 12 12 MET CA C 17 57.740 57.740 55.402 2.338 17668 9606 1 26 . 1 1 12 12 MET CB C 17 34.243 34.243 32.480 1.763 17668 9607 1 26 . 1 1 12 12 MET H H 17 8.509 8.509 7.616 0.893 17668 9608 1 26 . 1 1 13 13 ARG N N 18 126.836 126.836 121.896 4.940 17668 9609 1 26 . 1 1 13 13 ARG C C 18 175.032 175.032 174.899 0.133 17668 9610 1 26 . 1 1 13 13 ARG CA C 18 57.239 57.239 55.542 1.697 17668 9611 1 26 . 1 1 13 13 ARG CB C 18 32.744 32.744 29.994 2.750 17668 9612 1 26 . 1 1 13 13 ARG H H 18 10.782 10.782 8.254 2.528 17668 9613 1 26 . 1 1 14 14 CYS N N 19 114.805 114.805 118.203 -3.398 17668 9614 1 26 . 1 1 14 14 CYS CA C 19 56.217 56.217 56.421 -0.204 17668 9615 1 26 . 1 1 14 14 CYS CB C 19 30.413 30.413 31.251 -0.838 17668 9616 1 26 . 1 1 14 14 CYS H H 19 8.425 8.425 7.565 0.860 17668 9617 1 26 . 1 1 15 15 ALA CA C 20 51.257 51.257 55.296 -4.039 17668 9618 1 26 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.249 0.998 17668 9619 1 26 . 1 1 16 16 ALA N N 21 118.906 118.906 122.986 -4.080 17668 9620 1 26 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.045 0.102 17668 9621 1 26 . 1 1 16 16 ALA C C 21 180.553 180.553 179.314 1.239 17668 9622 1 26 . 1 1 16 16 ALA CA C 21 54.756 54.756 55.077 -0.321 17668 9623 1 26 . 1 1 16 16 ALA CB C 21 18.233 18.233 18.185 0.048 17668 9624 1 26 . 1 1 17 17 CYS N N 22 121.914 121.914 116.755 5.159 17668 9625 1 26 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.163 -0.342 17668 9626 1 26 . 1 1 17 17 CYS C C 22 177.966 177.966 176.742 1.224 17668 9627 1 26 . 1 1 17 17 CYS CA C 22 64.748 64.748 60.099 4.649 17668 9628 1 26 . 1 1 17 17 CYS CB C 22 29.245 29.245 26.593 2.652 17668 9629 1 26 . 1 1 17 17 CYS H H 22 7.640 7.640 7.466 0.174 17668 9630 1 26 . 1 1 18 18 ALA N N 23 119.180 119.180 123.645 -4.465 17668 9631 1 26 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.932 -0.329 17668 9632 1 26 . 1 1 18 18 ALA C C 23 179.173 179.173 179.009 0.164 17668 9633 1 26 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.888 0.370 17668 9634 1 26 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.007 0.734 17668 9635 1 26 . 1 1 18 18 ALA H H 23 6.629 6.629 8.006 -1.377 17668 9636 1 26 . 1 1 19 19 SER N N 24 112.618 112.618 113.448 -0.830 17668 9637 1 26 . 1 1 19 19 SER HA H 24 4.147 4.147 4.247 -0.100 17668 9638 1 26 . 1 1 19 19 SER C C 24 176.764 176.764 176.539 0.225 17668 9639 1 26 . 1 1 19 19 SER CA C 24 61.259 61.259 61.936 -0.677 17668 9640 1 26 . 1 1 19 19 SER CB C 24 62.754 62.754 62.959 -0.205 17668 9641 1 26 . 1 1 19 19 SER H H 24 7.752 7.752 7.903 -0.151 17668 9642 1 26 . 1 1 20 20 SER N N 25 116.992 116.992 119.325 -2.333 17668 9643 1 26 . 1 1 20 20 SER HA H 25 3.521 3.521 4.323 -0.802 17668 9644 1 26 . 1 1 20 20 SER C C 25 177.448 177.448 175.995 1.453 17668 9645 1 26 . 1 1 20 20 SER CA C 25 61.870 61.870 61.086 0.784 17668 9646 1 26 . 1 1 20 20 SER CB C 25 62.751 62.751 63.146 -0.395 17668 9647 1 26 . 1 1 20 20 SER H H 25 7.989 7.989 7.725 0.264 17668 9648 1 26 . 1 1 21 21 ILE N N 26 122.461 122.461 123.679 -1.218 17668 9649 1 26 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.725 -0.395 17668 9650 1 26 . 1 1 21 21 ILE C C 26 176.930 176.930 177.315 -0.385 17668 9651 1 26 . 1 1 21 21 ILE CA C 26 66.255 66.255 65.511 0.744 17668 9652 1 26 . 1 1 21 21 ILE CB C 26 38.237 38.237 37.935 0.302 17668 9653 1 26 . 1 1 21 21 ILE H H 26 7.583 7.583 7.846 -0.263 17668 9654 1 26 . 1 1 22 22 GLU N N 27 116.992 116.992 119.270 -2.278 17668 9655 1 26 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.973 -0.507 17668 9656 1 26 . 1 1 22 22 GLU C C 27 178.916 178.916 179.044 -0.128 17668 9657 1 26 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.500 1.253 17668 9658 1 26 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.722 -0.015 17668 9659 1 26 . 1 1 22 22 GLU H H 27 8.004 8.004 8.294 -0.290 17668 9660 1 26 . 1 1 23 23 ARG N N 28 114.805 114.805 118.041 -3.236 17668 9661 1 26 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.148 -0.192 17668 9662 1 26 . 1 1 23 23 ARG C C 28 179.517 179.517 176.743 2.774 17668 9663 1 26 . 1 1 23 23 ARG CA C 28 58.752 58.752 57.856 0.895 17668 9664 1 26 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.392 0.354 17668 9665 1 26 . 1 1 23 23 ARG H H 28 8.256 8.256 7.751 0.505 17668 9666 1 26 . 1 1 24 24 ALA N N 29 118.633 118.633 120.376 -1.743 17668 9667 1 26 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.293 -0.336 17668 9668 1 26 . 1 1 24 24 ALA C C 29 181.073 181.073 179.325 1.748 17668 9669 1 26 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.827 0.922 17668 9670 1 26 . 1 1 24 24 ALA CB C 29 18.729 18.729 19.200 -0.471 17668 9671 1 26 . 1 1 24 24 ALA H H 29 7.555 7.555 7.458 0.097 17668 9672 1 26 . 1 1 25 25 LEU N N 30 115.899 115.899 121.108 -5.209 17668 9673 1 26 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.080 -0.096 17668 9674 1 26 . 1 1 25 25 LEU C C 30 178.658 178.658 177.917 0.741 17668 9675 1 26 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.076 0.145 17668 9676 1 26 . 1 1 25 25 LEU CB C 30 41.248 41.248 42.011 -0.763 17668 9677 1 26 . 1 1 25 25 LEU H H 30 7.976 7.976 8.317 -0.341 17668 9678 1 26 . 1 1 26 26 GLU N N 31 115.899 115.899 116.154 -0.255 17668 9679 1 26 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.253 -0.515 17668 9680 1 26 . 1 1 26 26 GLU C C 31 177.793 177.793 177.500 0.293 17668 9681 1 26 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.380 1.347 17668 9682 1 26 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.710 -0.469 17668 9683 1 26 . 1 1 26 26 GLU H H 31 8.116 8.116 8.112 0.004 17668 9684 1 26 . 1 1 27 27 ARG N N 32 114.258 114.258 118.443 -4.185 17668 9685 1 26 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.465 -0.318 17668 9686 1 26 . 1 1 27 27 ARG C C 32 176.757 176.757 176.852 -0.095 17668 9687 1 26 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.991 0.259 17668 9688 1 26 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.834 -1.090 17668 9689 1 26 . 1 1 27 27 ARG H H 32 6.854 6.854 8.161 -1.307 17668 9690 1 26 . 1 1 28 28 LEU N N 33 123.008 123.008 121.459 1.549 17668 9691 1 26 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.152 0.050 17668 9692 1 26 . 1 1 28 28 LEU C C 33 176.412 176.412 176.212 0.200 17668 9693 1 26 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.251 -1.002 17668 9694 1 26 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.061 -0.322 17668 9695 1 26 . 1 1 28 28 LEU H H 33 7.501 7.501 7.491 0.010 17668 9696 1 26 . 1 1 29 29 LYS N N 34 127.383 127.383 122.950 4.433 17668 9697 1 26 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.206 -0.332 17668 9698 1 26 . 1 1 29 29 LYS C C 34 176.412 176.412 178.048 -1.636 17668 9699 1 26 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.411 1.831 17668 9700 1 26 . 1 1 29 29 LYS CB C 34 31.746 31.746 33.056 -1.310 17668 9701 1 26 . 1 1 29 29 LYS H H 34 8.341 8.341 8.135 0.206 17668 9702 1 26 . 1 1 30 30 GLY N N 35 111.524 111.524 108.408 3.116 17668 9703 1 26 . 1 1 30 30 GLY C C 35 175.715 175.715 174.474 1.241 17668 9704 1 26 . 1 1 30 30 GLY CA C 35 45.488 45.488 46.415 -0.927 17668 9705 1 26 . 1 1 30 30 GLY H H 35 8.509 8.509 8.710 -0.201 17668 9706 1 26 . 1 1 31 31 VAL N N 36 122.461 122.461 122.129 0.332 17668 9707 1 26 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.063 -0.189 17668 9708 1 26 . 1 1 31 31 VAL C C 36 175.032 175.032 175.374 -0.342 17668 9709 1 26 . 1 1 31 31 VAL CA C 36 63.757 63.757 63.235 0.522 17668 9710 1 26 . 1 1 31 31 VAL CB C 36 31.250 31.250 31.464 -0.214 17668 9711 1 26 . 1 1 31 31 VAL H H 36 7.892 7.892 7.855 0.037 17668 9712 1 26 . 1 1 32 32 ALA N N 37 131.758 131.758 130.140 1.618 17668 9713 1 26 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.640 -0.275 17668 9714 1 26 . 1 1 32 32 ALA C C 37 177.619 177.619 176.788 0.831 17668 9715 1 26 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.337 0.909 17668 9716 1 26 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.440 -0.718 17668 9717 1 26 . 1 1 32 32 ALA H H 37 9.042 9.042 8.857 0.185 17668 9718 1 26 . 1 1 33 33 GLU N N 38 114.258 114.258 117.550 -3.292 17668 9719 1 26 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.508 -0.007 17668 9720 1 26 . 1 1 33 33 GLU C C 38 173.651 173.651 174.044 -0.393 17668 9721 1 26 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.796 -1.219 17668 9722 1 26 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.408 1.258 17668 9723 1 26 . 1 1 33 33 GLU H H 38 7.555 7.555 7.831 -0.276 17668 9724 1 26 . 1 1 34 34 ALA N N 39 125.742 125.742 127.346 -1.604 17668 9725 1 26 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.022 0.079 17668 9726 1 26 . 1 1 34 34 ALA C C 39 175.033 175.033 175.624 -0.591 17668 9727 1 26 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.359 -0.080 17668 9728 1 26 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.474 0.762 17668 9729 1 26 . 1 1 34 34 ALA H H 39 9.014 9.014 8.399 0.615 17668 9730 1 26 . 1 1 35 35 SER N N 40 113.711 113.711 115.877 -2.166 17668 9731 1 26 . 1 1 35 35 SER HA H 40 4.855 4.855 5.173 -0.318 17668 9732 1 26 . 1 1 35 35 SER C C 40 173.824 173.824 173.226 0.598 17668 9733 1 26 . 1 1 35 35 SER CA C 40 56.254 56.254 57.567 -1.313 17668 9734 1 26 . 1 1 35 35 SER CB C 40 65.255 65.255 65.848 -0.593 17668 9735 1 26 . 1 1 35 35 SER H H 40 8.481 8.481 8.858 -0.377 17668 9736 1 26 . 1 1 36 36 VAL N N 41 129.570 129.570 122.721 6.849 17668 9737 1 26 . 1 1 36 36 VAL C C 41 175.204 175.204 175.775 -0.571 17668 9738 1 26 . 1 1 36 36 VAL CA C 41 60.265 60.265 60.669 -0.404 17668 9739 1 26 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.450 1.293 17668 9740 1 26 . 1 1 36 36 VAL H H 41 10.164 10.164 9.345 0.819 17668 9741 1 26 . 1 1 37 37 THR N N 42 123.008 123.008 122.880 0.128 17668 9742 1 26 . 1 1 37 37 THR HA H 42 4.392 4.392 4.677 -0.285 17668 9743 1 26 . 1 1 37 37 THR C C 42 175.030 175.030 174.464 0.566 17668 9744 1 26 . 1 1 37 37 THR CA C 42 60.760 60.760 61.304 -0.544 17668 9745 1 26 . 1 1 37 37 THR CB C 42 69.255 69.255 69.592 -0.337 17668 9746 1 26 . 1 1 37 37 THR H H 42 8.453 8.453 8.689 -0.236 17668 9747 1 26 . 1 1 38 38 VAL N N 43 128.476 128.476 128.144 0.332 17668 9748 1 26 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.759 -0.457 17668 9749 1 26 . 1 1 38 38 VAL C C 43 176.067 176.067 176.877 -0.810 17668 9750 1 26 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.653 -2.385 17668 9751 1 26 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.723 0.504 17668 9752 1 26 . 1 1 38 38 VAL H H 43 8.789 8.789 8.835 -0.046 17668 9753 1 26 . 1 1 39 39 ALA N N 44 119.180 119.180 121.230 -2.050 17668 9754 1 26 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.161 -0.177 17668 9755 1 26 . 1 1 39 39 ALA C C 44 179.167 179.167 178.665 0.502 17668 9756 1 26 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.353 0.872 17668 9757 1 26 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.711 0.284 17668 9758 1 26 . 1 1 39 39 ALA H H 44 8.509 8.509 8.029 0.480 17668 9759 1 26 . 1 1 40 40 THR N N 45 135.586 135.586 106.814 28.772 17668 9760 1 26 . 1 1 40 40 THR HA H 45 4.338 4.338 4.383 -0.045 17668 9761 1 26 . 1 1 40 40 THR C C 45 176.237 176.237 174.915 1.322 17668 9762 1 26 . 1 1 40 40 THR CA C 45 60.254 60.254 60.452 -0.198 17668 9763 1 26 . 1 1 40 40 THR CB C 45 70.261 70.261 69.504 0.757 17668 9764 1 26 . 1 1 40 40 THR H H 45 6.713 6.713 7.514 -0.801 17668 9765 1 26 . 1 1 41 41 GLY N N 46 110.977 110.977 110.875 0.102 17668 9766 1 26 . 1 1 41 41 GLY C C 46 172.096 172.096 173.081 -0.985 17668 9767 1 26 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.447 0.778 17668 9768 1 26 . 1 1 41 41 GLY H H 46 7.835 7.835 7.501 0.334 17668 9769 1 26 . 1 1 42 42 ARG N N 47 118.086 118.086 116.479 1.607 17668 9770 1 26 . 1 1 42 42 ARG C C 47 175.032 175.032 173.476 1.556 17668 9771 1 26 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.268 1.982 17668 9772 1 26 . 1 1 42 42 ARG CB C 47 31.739 31.739 33.489 -1.750 17668 9773 1 26 . 1 1 42 42 ARG H H 47 7.303 7.303 8.212 -0.909 17668 9774 1 26 . 1 1 43 43 LEU N N 48 129.023 129.023 118.891 10.132 17668 9775 1 26 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.324 -0.305 17668 9776 1 26 . 1 1 43 43 LEU C C 48 175.033 175.033 175.423 -0.390 17668 9777 1 26 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.783 -0.533 17668 9778 1 26 . 1 1 43 43 LEU CB C 48 45.081 45.081 47.184 -2.103 17668 9779 1 26 . 1 1 43 43 LEU H H 48 8.986 8.986 8.788 0.198 17668 9780 1 26 . 1 1 44 44 THR N N 49 123.008 123.008 116.991 6.017 17668 9781 1 26 . 1 1 44 44 THR HA H 49 4.964 4.964 5.299 -0.335 17668 9782 1 26 . 1 1 44 44 THR C C 49 173.475 173.475 172.693 0.782 17668 9783 1 26 . 1 1 44 44 THR CA C 49 61.752 61.752 61.908 -0.156 17668 9784 1 26 . 1 1 44 44 THR CB C 49 69.756 69.756 71.296 -1.540 17668 9785 1 26 . 1 1 44 44 THR H H 49 9.154 9.154 8.333 0.821 17668 9786 1 26 . 1 1 45 45 VAL N N 50 125.195 125.195 125.509 -0.314 17668 9787 1 26 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.639 0.543 17668 9788 1 26 . 1 1 45 45 VAL C C 50 172.614 172.614 173.482 -0.868 17668 9789 1 26 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.329 -1.567 17668 9790 1 26 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.439 0.013 17668 9791 1 26 . 1 1 45 45 VAL H H 50 9.071 9.071 9.240 -0.169 17668 9792 1 26 . 1 1 46 46 THR N N 51 124.648 124.648 124.669 -0.021 17668 9793 1 26 . 1 1 46 46 THR HA H 51 5.782 5.782 5.299 0.483 17668 9794 1 26 . 1 1 46 46 THR C C 51 174.684 174.684 173.688 0.996 17668 9795 1 26 . 1 1 46 46 THR CA C 51 61.248 61.248 60.943 0.305 17668 9796 1 26 . 1 1 46 46 THR CB C 51 70.265 70.265 69.487 0.778 17668 9797 1 26 . 1 1 46 46 THR H H 51 8.930 8.930 8.804 0.126 17668 9798 1 26 . 1 1 47 47 TYR N N 52 124.648 124.648 123.130 1.518 17668 9799 1 26 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.222 0.069 17668 9800 1 26 . 1 1 47 47 TYR C C 52 171.408 171.408 172.924 -1.516 17668 9801 1 26 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.815 -0.570 17668 9802 1 26 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.125 0.629 17668 9803 1 26 . 1 1 47 47 TYR H H 52 9.603 9.603 8.560 1.043 17668 9804 1 26 . 1 1 48 48 ASP N N 53 119.180 119.180 121.563 -2.383 17668 9805 1 26 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.274 -0.309 17668 9806 1 26 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.626 -0.617 17668 9807 1 26 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.066 -1.508 17668 9808 1 26 . 1 1 48 48 ASP H H 53 8.481 8.481 8.325 0.156 17668 9809 1 26 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.799 0.574 17668 9810 1 26 . 1 1 49 49 PRO C C 54 178.311 178.311 176.411 1.900 17668 9811 1 26 . 1 1 49 49 PRO CA C 54 63.263 63.263 64.118 -0.855 17668 9812 1 26 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.779 0.464 17668 9813 1 26 . 1 1 50 50 LYS N N 55 116.992 116.992 117.975 -0.983 17668 9814 1 26 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.386 -0.266 17668 9815 1 26 . 1 1 50 50 LYS C C 55 177.802 177.802 177.845 -0.043 17668 9816 1 26 . 1 1 50 50 LYS CA C 55 57.726 57.726 57.400 0.326 17668 9817 1 26 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.400 -1.535 17668 9818 1 26 . 1 1 50 50 LYS H H 55 8.284 8.284 8.235 0.049 17668 9819 1 26 . 1 1 51 51 GLN N N 56 115.352 115.352 118.814 -3.462 17668 9820 1 26 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.266 0.045 17668 9821 1 26 . 1 1 51 51 GLN C C 56 175.031 175.031 176.839 -1.808 17668 9822 1 26 . 1 1 51 51 GLN CA C 56 56.756 56.756 57.277 -0.521 17668 9823 1 26 . 1 1 51 51 GLN CB C 56 33.752 33.752 29.741 4.011 17668 9824 1 26 . 1 1 51 51 GLN H H 56 7.864 7.864 8.597 -0.733 17668 9825 1 26 . 1 1 52 52 VAL N N 57 120.273 120.273 112.684 7.589 17668 9826 1 26 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.507 -0.114 17668 9827 1 26 . 1 1 52 52 VAL C C 57 170.718 170.718 173.781 -3.063 17668 9828 1 26 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.643 0.129 17668 9829 1 26 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.064 0.164 17668 9830 1 26 . 1 1 52 52 VAL H H 57 8.172 8.172 8.139 0.033 17668 9831 1 26 . 1 1 53 53 SER N N 58 116.992 116.992 112.620 4.372 17668 9832 1 26 . 1 1 53 53 SER C C 58 175.377 175.377 175.009 0.368 17668 9833 1 26 . 1 1 53 53 SER CA C 58 55.251 55.251 57.409 -2.158 17668 9834 1 26 . 1 1 53 53 SER CB C 58 66.750 66.750 65.937 0.813 17668 9835 1 26 . 1 1 53 53 SER H H 58 7.611 7.611 7.785 -0.174 17668 9836 1 26 . 1 1 54 54 GLU N N 59 120.820 120.820 121.265 -0.445 17668 9837 1 26 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.828 -0.470 17668 9838 1 26 . 1 1 54 54 GLU C C 59 178.308 178.308 177.427 0.881 17668 9839 1 26 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.733 1.010 17668 9840 1 26 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.652 0.588 17668 9841 1 26 . 1 1 54 54 GLU H H 59 8.930 8.930 8.830 0.100 17668 9842 1 26 . 1 1 55 55 ILE N N 60 118.086 118.086 120.728 -2.642 17668 9843 1 26 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.767 -0.029 17668 9844 1 26 . 1 1 55 55 ILE C C 60 177.448 177.448 178.197 -0.749 17668 9845 1 26 . 1 1 55 55 ILE CA C 60 63.749 63.749 63.965 -0.216 17668 9846 1 26 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.677 0.838 17668 9847 1 26 . 1 1 55 55 ILE H H 60 7.583 7.583 7.650 -0.067 17668 9848 1 26 . 1 1 56 56 THR N N 61 119.727 119.727 115.030 4.697 17668 9849 1 26 . 1 1 56 56 THR HA H 61 3.766 3.766 4.014 -0.248 17668 9850 1 26 . 1 1 56 56 THR C C 61 177.104 177.104 176.485 0.619 17668 9851 1 26 . 1 1 56 56 THR CA C 61 66.264 66.264 67.369 -1.105 17668 9852 1 26 . 1 1 56 56 THR CB C 61 68.245 68.245 68.475 -0.230 17668 9853 1 26 . 1 1 56 56 THR H H 61 7.471 7.471 7.649 -0.178 17668 9854 1 26 . 1 1 57 57 ILE N N 62 121.367 121.367 120.904 0.463 17668 9855 1 26 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.931 -0.900 17668 9856 1 26 . 1 1 57 57 ILE C C 62 176.756 176.756 176.422 0.334 17668 9857 1 26 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.519 3.241 17668 9858 1 26 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.760 0.491 17668 9859 1 26 . 1 1 57 57 ILE H H 62 7.259 7.259 7.264 -0.005 17668 9860 1 26 . 1 1 58 58 GLN N N 63 117.539 117.539 120.980 -3.441 17668 9861 1 26 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.857 -0.255 17668 9862 1 26 . 1 1 58 58 GLN C C 63 179.172 179.172 178.220 0.952 17668 9863 1 26 . 1 1 58 58 GLN CA C 63 59.755 59.755 60.082 -0.327 17668 9864 1 26 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.639 -0.905 17668 9865 1 26 . 1 1 58 58 GLN H H 63 7.976 7.976 8.480 -0.504 17668 9866 1 26 . 1 1 59 59 GLU N N 64 119.180 119.180 117.729 1.451 17668 9867 1 26 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.020 -0.146 17668 9868 1 26 . 1 1 59 59 GLU C C 64 179.866 179.866 179.147 0.719 17668 9869 1 26 . 1 1 59 59 GLU CA C 64 59.259 59.259 58.925 0.334 17668 9870 1 26 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.269 0.431 17668 9871 1 26 . 1 1 59 59 GLU H H 64 8.622 8.622 8.478 0.144 17668 9872 1 26 . 1 1 60 60 ARG N N 65 119.727 119.727 120.905 -1.178 17668 9873 1 26 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.177 -0.084 17668 9874 1 26 . 1 1 60 60 ARG C C 65 178.310 178.310 178.514 -0.204 17668 9875 1 26 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.180 -0.924 17668 9876 1 26 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.454 -0.706 17668 9877 1 26 . 1 1 60 60 ARG H H 65 7.891 7.891 7.607 0.284 17668 9878 1 26 . 1 1 61 61 ILE N N 66 118.086 118.086 119.860 -1.774 17668 9879 1 26 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.827 -0.280 17668 9880 1 26 . 1 1 61 61 ILE C C 66 178.311 178.311 177.637 0.674 17668 9881 1 26 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.097 -0.352 17668 9882 1 26 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.887 -0.206 17668 9883 1 26 . 1 1 61 61 ILE H H 66 7.443 7.443 8.035 -0.592 17668 9884 1 26 . 1 1 62 62 ALA N N 67 121.914 121.914 122.279 -0.365 17668 9885 1 26 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.538 -0.009 17668 9886 1 26 . 1 1 62 62 ALA C C 67 182.626 182.626 180.285 2.341 17668 9887 1 26 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.575 -0.325 17668 9888 1 26 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.407 -0.672 17668 9889 1 26 . 1 1 62 62 ALA H H 67 8.116 8.116 8.514 -0.398 17668 9890 1 26 . 1 1 63 63 ALA N N 68 121.367 121.367 121.690 -0.323 17668 9891 1 26 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.145 -0.133 17668 9892 1 26 . 1 1 63 63 ALA C C 68 179.690 179.690 179.127 0.563 17668 9893 1 26 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.242 0.017 17668 9894 1 26 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.536 -0.315 17668 9895 1 26 . 1 1 63 63 ALA H H 68 7.948 7.948 7.633 0.315 17668 9896 1 26 . 1 1 64 64 LEU N N 69 116.445 116.445 116.294 0.151 17668 9897 1 26 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.142 0.005 17668 9898 1 26 . 1 1 64 64 LEU C C 69 176.931 176.931 176.849 0.082 17668 9899 1 26 . 1 1 64 64 LEU CA C 69 55.245 55.245 55.160 0.085 17668 9900 1 26 . 1 1 64 64 LEU CB C 69 43.241 43.241 42.169 1.073 17668 9901 1 26 . 1 1 64 64 LEU H H 69 7.247 7.247 7.515 -0.268 17668 9902 1 26 . 1 1 65 65 GLY N N 70 103.867 103.867 104.180 -0.313 17668 9903 1 26 . 1 1 65 65 GLY C C 70 173.651 173.651 174.148 -0.497 17668 9904 1 26 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.564 -0.092 17668 9905 1 26 . 1 1 65 65 GLY H H 70 7.668 7.668 7.469 0.199 17668 9906 1 26 . 1 1 66 66 TYR N N 71 119.180 119.180 118.531 0.649 17668 9907 1 26 . 1 1 66 66 TYR C C 71 174.513 174.513 174.683 -0.170 17668 9908 1 26 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.401 0.619 17668 9909 1 26 . 1 1 66 66 TYR CB C 71 39.502 39.502 40.584 -1.082 17668 9910 1 26 . 1 1 66 66 TYR H H 71 6.798 6.798 7.668 -0.870 17668 9911 1 26 . 1 1 67 67 THR N N 72 109.883 109.883 112.667 -2.784 17668 9912 1 26 . 1 1 67 67 THR C C 72 173.998 173.998 173.838 0.160 17668 9913 1 26 . 1 1 67 67 THR CA C 72 60.249 60.249 61.115 -0.866 17668 9914 1 26 . 1 1 67 67 THR CB C 72 71.254 71.254 70.458 0.796 17668 9915 1 26 . 1 1 67 67 THR H H 72 8.144 8.144 8.323 -0.179 17668 9916 1 26 . 1 1 68 68 LEU N N 73 122.461 122.461 123.248 -0.787 17668 9917 1 26 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.960 0.086 17668 9918 1 26 . 1 1 68 68 LEU C C 73 174.168 174.168 175.761 -1.593 17668 9919 1 26 . 1 1 68 68 LEU CA C 73 53.252 53.252 54.479 -1.227 17668 9920 1 26 . 1 1 68 68 LEU CB C 73 43.743 43.743 42.954 0.789 17668 9921 1 26 . 1 1 68 68 LEU H H 73 8.397 8.397 8.585 -0.188 17668 9922 1 26 . 1 1 69 69 ALA N N 74 125.195 125.195 124.363 0.832 17668 9923 1 26 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.692 -0.354 17668 9924 1 26 . 1 1 69 69 ALA C C 74 176.931 176.931 175.716 1.215 17668 9925 1 26 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.665 3.589 17668 9926 1 26 . 1 1 69 69 ALA CB C 74 18.225 18.225 21.739 -3.514 17668 9927 1 26 . 1 1 69 69 ALA H H 74 8.200 8.200 8.610 -0.410 17668 9928 1 26 . 1 1 70 70 GLU N N 75 120.820 120.820 123.385 -2.565 17668 9929 1 26 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.786 -0.312 17668 9930 1 26 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.497 1.961 17668 9931 1 26 . 1 1 70 70 GLU CB C 75 29.591 29.591 31.127 -1.536 17668 9932 1 26 . 1 1 70 70 GLU H H 75 8.397 8.397 8.715 -0.318 17668 9933 1 27 . 1 1 2 2 LEU N N 7 119.727 119.727 118.827 0.900 17668 9934 1 27 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.772 -0.434 17668 9935 1 27 . 1 1 2 2 LEU C C 7 176.410 176.410 174.882 1.528 17668 9936 1 27 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.614 -0.604 17668 9937 1 27 . 1 1 2 2 LEU CB C 7 43.226 43.226 45.610 -2.384 17668 9938 1 27 . 1 1 2 2 LEU H H 7 7.919 7.919 8.104 -0.185 17668 9939 1 27 . 1 1 3 3 LYS N N 8 123.008 123.008 121.551 1.457 17668 9940 1 27 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.658 -0.293 17668 9941 1 27 . 1 1 3 3 LYS C C 8 174.512 174.512 175.745 -1.233 17668 9942 1 27 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.917 -0.176 17668 9943 1 27 . 1 1 3 3 LYS CB C 8 35.723 35.723 34.710 1.013 17668 9944 1 27 . 1 1 3 3 LYS H H 8 8.650 8.650 8.522 0.128 17668 9945 1 27 . 1 1 4 4 THR N N 9 120.273 120.273 119.463 0.810 17668 9946 1 27 . 1 1 4 4 THR HA H 9 5.372 5.372 4.980 0.392 17668 9947 1 27 . 1 1 4 4 THR C C 9 174.170 174.170 174.490 -0.320 17668 9948 1 27 . 1 1 4 4 THR CA C 9 61.756 61.756 62.085 -0.329 17668 9949 1 27 . 1 1 4 4 THR CB C 9 70.757 70.757 69.686 1.071 17668 9950 1 27 . 1 1 4 4 THR H H 9 8.481 8.481 8.356 0.125 17668 9951 1 27 . 1 1 5 5 GLN N N 10 126.836 126.836 124.303 2.533 17668 9952 1 27 . 1 1 5 5 GLN C C 10 173.651 173.651 173.854 -0.203 17668 9953 1 27 . 1 1 5 5 GLN CA C 10 54.236 54.236 54.976 -0.740 17668 9954 1 27 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.614 1.870 17668 9955 1 27 . 1 1 5 5 GLN H H 10 9.295 9.295 8.927 0.368 17668 9956 1 27 . 1 1 6 6 GLN N N 11 121.367 121.367 125.532 -4.165 17668 9957 1 27 . 1 1 6 6 GLN HA H 11 5.646 5.646 4.972 0.674 17668 9958 1 27 . 1 1 6 6 GLN C C 11 176.069 176.069 175.333 0.736 17668 9959 1 27 . 1 1 6 6 GLN CA C 11 53.760 53.760 55.746 -1.986 17668 9960 1 27 . 1 1 6 6 GLN CB C 11 31.237 31.237 30.337 0.900 17668 9961 1 27 . 1 1 6 6 GLN H H 11 8.425 8.425 8.610 -0.185 17668 9962 1 27 . 1 1 7 7 MET N N 12 120.273 120.273 120.585 -0.312 17668 9963 1 27 . 1 1 7 7 MET C C 12 173.824 173.824 174.019 -0.195 17668 9964 1 27 . 1 1 7 7 MET CA C 12 54.598 54.598 54.697 -0.099 17668 9965 1 27 . 1 1 7 7 MET CB C 12 37.258 37.258 36.354 0.904 17668 9966 1 27 . 1 1 7 7 MET H H 12 9.294 9.294 8.764 0.530 17668 9967 1 27 . 1 1 8 8 GLN N N 13 122.461 122.461 118.501 3.960 17668 9968 1 27 . 1 1 8 8 GLN C C 13 174.863 174.863 174.644 0.219 17668 9969 1 27 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.971 -0.218 17668 9970 1 27 . 1 1 8 8 GLN CB C 13 30.243 30.243 31.806 -1.563 17668 9971 1 27 . 1 1 8 8 GLN H H 13 8.790 8.790 8.325 0.465 17668 9972 1 27 . 1 1 9 9 VAL N N 14 126.289 126.289 119.462 6.827 17668 9973 1 27 . 1 1 9 9 VAL C C 14 176.586 176.586 175.238 1.348 17668 9974 1 27 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.361 0.894 17668 9975 1 27 . 1 1 9 9 VAL CB C 14 33.467 33.467 34.810 -1.343 17668 9976 1 27 . 1 1 9 9 VAL H H 14 8.930 8.930 8.547 0.383 17668 9977 1 27 . 1 1 10 10 GLY N N 15 117.539 117.539 115.512 2.027 17668 9978 1 27 . 1 1 10 10 GLY C C 15 173.997 173.997 173.629 0.368 17668 9979 1 27 . 1 1 10 10 GLY CA C 15 44.245 44.245 45.058 -0.813 17668 9980 1 27 . 1 1 10 10 GLY H H 15 9.351 9.351 8.814 0.537 17668 9981 1 27 . 1 1 11 11 GLY N N 16 107.149 107.149 106.881 0.268 17668 9982 1 27 . 1 1 11 11 GLY C C 16 176.067 176.067 173.978 2.089 17668 9983 1 27 . 1 1 11 11 GLY CA C 16 45.256 45.256 44.935 0.320 17668 9984 1 27 . 1 1 11 11 GLY H H 16 8.284 8.284 7.276 1.008 17668 9985 1 27 . 1 1 12 12 MET N N 17 118.633 118.633 118.449 0.184 17668 9986 1 27 . 1 1 12 12 MET C C 17 177.102 177.102 177.463 -0.361 17668 9987 1 27 . 1 1 12 12 MET CA C 17 57.740 57.740 54.535 3.205 17668 9988 1 27 . 1 1 12 12 MET CB C 17 34.243 34.243 32.199 2.044 17668 9989 1 27 . 1 1 12 12 MET H H 17 8.509 8.509 7.859 0.649 17668 9990 1 27 . 1 1 13 13 ARG N N 18 126.836 126.836 117.885 8.951 17668 9991 1 27 . 1 1 13 13 ARG C C 18 175.032 175.032 175.414 -0.382 17668 9992 1 27 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.339 0.900 17668 9993 1 27 . 1 1 13 13 ARG CB C 18 32.744 32.744 27.541 5.203 17668 9994 1 27 . 1 1 13 13 ARG H H 18 10.782 10.782 8.119 2.663 17668 9995 1 27 . 1 1 14 14 CYS N N 19 114.805 114.805 118.623 -3.818 17668 9996 1 27 . 1 1 14 14 CYS CA C 19 56.217 56.217 57.261 -1.044 17668 9997 1 27 . 1 1 14 14 CYS CB C 19 30.413 30.413 30.351 0.062 17668 9998 1 27 . 1 1 14 14 CYS H H 19 8.425 8.425 7.786 0.639 17668 9999 1 27 . 1 1 15 15 ALA CA C 20 51.257 51.257 54.816 -3.559 17668 10000 1 27 . 1 1 15 15 ALA CB C 20 19.247 19.247 19.040 0.207 17668 10001 1 27 . 1 1 16 16 ALA N N 21 118.906 118.906 119.654 -0.748 17668 10002 1 27 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.133 0.014 17668 10003 1 27 . 1 1 16 16 ALA C C 21 180.553 180.553 178.182 2.371 17668 10004 1 27 . 1 1 16 16 ALA CA C 21 54.756 54.756 54.103 0.653 17668 10005 1 27 . 1 1 16 16 ALA CB C 21 18.233 18.233 17.989 0.244 17668 10006 1 27 . 1 1 17 17 CYS N N 22 121.914 121.914 115.905 6.009 17668 10007 1 27 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.489 -0.668 17668 10008 1 27 . 1 1 17 17 CYS C C 22 177.966 177.966 177.018 0.948 17668 10009 1 27 . 1 1 17 17 CYS CA C 22 64.748 64.748 60.157 4.591 17668 10010 1 27 . 1 1 17 17 CYS CB C 22 29.245 29.245 29.214 0.031 17668 10011 1 27 . 1 1 17 17 CYS H H 22 7.640 7.640 7.572 0.068 17668 10012 1 27 . 1 1 18 18 ALA N N 23 119.180 119.180 124.715 -5.535 17668 10013 1 27 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.990 -0.387 17668 10014 1 27 . 1 1 18 18 ALA C C 23 179.173 179.173 178.685 0.488 17668 10015 1 27 . 1 1 18 18 ALA CA C 23 55.258 55.258 55.128 0.130 17668 10016 1 27 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.271 0.469 17668 10017 1 27 . 1 1 18 18 ALA H H 23 6.629 6.629 8.444 -1.815 17668 10018 1 27 . 1 1 19 19 SER N N 24 112.618 112.618 113.926 -1.308 17668 10019 1 27 . 1 1 19 19 SER HA H 24 4.147 4.147 4.103 0.044 17668 10020 1 27 . 1 1 19 19 SER C C 24 176.764 176.764 176.964 -0.200 17668 10021 1 27 . 1 1 19 19 SER CA C 24 61.259 61.259 61.765 -0.506 17668 10022 1 27 . 1 1 19 19 SER CB C 24 62.754 62.754 62.885 -0.131 17668 10023 1 27 . 1 1 19 19 SER H H 24 7.752 7.752 7.920 -0.168 17668 10024 1 27 . 1 1 20 20 SER N N 25 116.992 116.992 117.952 -0.960 17668 10025 1 27 . 1 1 20 20 SER HA H 25 3.521 3.521 4.284 -0.763 17668 10026 1 27 . 1 1 20 20 SER C C 25 177.448 177.448 175.765 1.683 17668 10027 1 27 . 1 1 20 20 SER CA C 25 61.870 61.870 61.113 0.757 17668 10028 1 27 . 1 1 20 20 SER CB C 25 62.751 62.751 63.152 -0.401 17668 10029 1 27 . 1 1 20 20 SER H H 25 7.989 7.989 7.749 0.240 17668 10030 1 27 . 1 1 21 21 ILE N N 26 122.461 122.461 123.521 -1.060 17668 10031 1 27 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.845 -0.515 17668 10032 1 27 . 1 1 21 21 ILE C C 26 176.930 176.930 177.180 -0.250 17668 10033 1 27 . 1 1 21 21 ILE CA C 26 66.255 66.255 63.889 2.366 17668 10034 1 27 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.134 0.103 17668 10035 1 27 . 1 1 21 21 ILE H H 26 7.583 7.583 7.429 0.154 17668 10036 1 27 . 1 1 22 22 GLU N N 27 116.992 116.992 120.075 -3.083 17668 10037 1 27 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.886 -0.420 17668 10038 1 27 . 1 1 22 22 GLU C C 27 178.916 178.916 178.905 0.011 17668 10039 1 27 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.418 1.335 17668 10040 1 27 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.735 -0.028 17668 10041 1 27 . 1 1 22 22 GLU H H 27 8.004 8.004 8.490 -0.486 17668 10042 1 27 . 1 1 23 23 ARG N N 28 114.805 114.805 119.452 -4.647 17668 10043 1 27 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.060 -0.104 17668 10044 1 27 . 1 1 23 23 ARG C C 28 179.517 179.517 177.153 2.364 17668 10045 1 27 . 1 1 23 23 ARG CA C 28 58.752 58.752 59.178 -0.427 17668 10046 1 27 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.361 0.385 17668 10047 1 27 . 1 1 23 23 ARG H H 28 8.256 8.256 8.239 0.017 17668 10048 1 27 . 1 1 24 24 ALA N N 29 118.633 118.633 119.653 -1.020 17668 10049 1 27 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.276 -0.319 17668 10050 1 27 . 1 1 24 24 ALA C C 29 181.073 181.073 180.222 0.851 17668 10051 1 27 . 1 1 24 24 ALA CA C 29 54.749 54.749 54.036 0.713 17668 10052 1 27 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.540 0.189 17668 10053 1 27 . 1 1 24 24 ALA H H 29 7.555 7.555 7.628 -0.073 17668 10054 1 27 . 1 1 25 25 LEU N N 30 115.899 115.899 120.724 -4.825 17668 10055 1 27 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.054 -0.070 17668 10056 1 27 . 1 1 25 25 LEU C C 30 178.658 178.658 178.675 -0.017 17668 10057 1 27 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.698 -0.477 17668 10058 1 27 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.996 -0.748 17668 10059 1 27 . 1 1 25 25 LEU H H 30 7.976 7.976 8.395 -0.419 17668 10060 1 27 . 1 1 26 26 GLU N N 31 115.899 115.899 115.837 0.062 17668 10061 1 27 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.099 -0.361 17668 10062 1 27 . 1 1 26 26 GLU C C 31 177.793 177.793 177.497 0.296 17668 10063 1 27 . 1 1 26 26 GLU CA C 31 58.727 58.727 58.551 0.176 17668 10064 1 27 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.360 -0.119 17668 10065 1 27 . 1 1 26 26 GLU H H 31 8.116 8.116 7.831 0.285 17668 10066 1 27 . 1 1 27 27 ARG N N 32 114.258 114.258 117.395 -3.137 17668 10067 1 27 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.423 -0.276 17668 10068 1 27 . 1 1 27 27 ARG C C 32 176.757 176.757 176.700 0.057 17668 10069 1 27 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.599 0.651 17668 10070 1 27 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.370 -0.626 17668 10071 1 27 . 1 1 27 27 ARG H H 32 6.854 6.854 7.519 -0.665 17668 10072 1 27 . 1 1 28 28 LEU N N 33 123.008 123.008 122.973 0.035 17668 10073 1 27 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.169 0.033 17668 10074 1 27 . 1 1 28 28 LEU C C 33 176.412 176.412 176.563 -0.151 17668 10075 1 27 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.365 -1.116 17668 10076 1 27 . 1 1 28 28 LEU CB C 33 41.739 41.739 41.656 0.083 17668 10077 1 27 . 1 1 28 28 LEU H H 33 7.501 7.501 7.586 -0.085 17668 10078 1 27 . 1 1 29 29 LYS N N 34 127.383 127.383 126.213 1.170 17668 10079 1 27 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.186 -0.312 17668 10080 1 27 . 1 1 29 29 LYS C C 34 176.412 176.412 177.587 -1.175 17668 10081 1 27 . 1 1 29 29 LYS CA C 34 58.242 58.242 57.427 0.815 17668 10082 1 27 . 1 1 29 29 LYS CB C 34 31.746 31.746 31.878 -0.132 17668 10083 1 27 . 1 1 29 29 LYS H H 34 8.341 8.341 8.674 -0.333 17668 10084 1 27 . 1 1 30 30 GLY N N 35 111.524 111.524 110.659 0.865 17668 10085 1 27 . 1 1 30 30 GLY C C 35 175.715 175.715 173.381 2.334 17668 10086 1 27 . 1 1 30 30 GLY CA C 35 45.488 45.488 44.958 0.530 17668 10087 1 27 . 1 1 30 30 GLY H H 35 8.509 8.509 8.616 -0.107 17668 10088 1 27 . 1 1 31 31 VAL N N 36 122.461 122.461 120.602 1.859 17668 10089 1 27 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.402 -0.528 17668 10090 1 27 . 1 1 31 31 VAL C C 36 175.032 175.032 174.288 0.744 17668 10091 1 27 . 1 1 31 31 VAL CA C 36 63.757 63.757 61.569 2.188 17668 10092 1 27 . 1 1 31 31 VAL CB C 36 31.250 31.250 32.974 -1.724 17668 10093 1 27 . 1 1 31 31 VAL H H 36 7.892 7.892 7.938 -0.046 17668 10094 1 27 . 1 1 32 32 ALA N N 37 131.758 131.758 129.513 2.245 17668 10095 1 27 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.667 -0.301 17668 10096 1 27 . 1 1 32 32 ALA C C 37 177.619 177.619 176.806 0.813 17668 10097 1 27 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.130 1.116 17668 10098 1 27 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.550 -0.828 17668 10099 1 27 . 1 1 32 32 ALA H H 37 9.042 9.042 9.090 -0.048 17668 10100 1 27 . 1 1 33 33 GLU N N 38 114.258 114.258 117.489 -3.231 17668 10101 1 27 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.561 -0.060 17668 10102 1 27 . 1 1 33 33 GLU C C 38 173.651 173.651 173.844 -0.193 17668 10103 1 27 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.570 -0.993 17668 10104 1 27 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.414 1.252 17668 10105 1 27 . 1 1 33 33 GLU H H 38 7.555 7.555 7.727 -0.172 17668 10106 1 27 . 1 1 34 34 ALA N N 39 125.742 125.742 126.199 -0.457 17668 10107 1 27 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.078 0.023 17668 10108 1 27 . 1 1 34 34 ALA C C 39 175.033 175.033 175.430 -0.397 17668 10109 1 27 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.319 -0.039 17668 10110 1 27 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.415 0.822 17668 10111 1 27 . 1 1 34 34 ALA H H 39 9.014 9.014 8.395 0.619 17668 10112 1 27 . 1 1 35 35 SER N N 40 113.711 113.711 115.026 -1.315 17668 10113 1 27 . 1 1 35 35 SER HA H 40 4.855 4.855 5.012 -0.157 17668 10114 1 27 . 1 1 35 35 SER C C 40 173.824 173.824 172.548 1.276 17668 10115 1 27 . 1 1 35 35 SER CA C 40 56.254 56.254 58.219 -1.966 17668 10116 1 27 . 1 1 35 35 SER CB C 40 65.255 65.255 65.013 0.242 17668 10117 1 27 . 1 1 35 35 SER H H 40 8.481 8.481 8.989 -0.508 17668 10118 1 27 . 1 1 36 36 VAL N N 41 129.570 129.570 125.682 3.888 17668 10119 1 27 . 1 1 36 36 VAL C C 41 175.204 175.204 176.235 -1.031 17668 10120 1 27 . 1 1 36 36 VAL CA C 41 60.265 60.265 60.980 -0.715 17668 10121 1 27 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.381 1.362 17668 10122 1 27 . 1 1 36 36 VAL H H 41 10.164 10.164 9.471 0.693 17668 10123 1 27 . 1 1 37 37 THR N N 42 123.008 123.008 125.216 -2.208 17668 10124 1 27 . 1 1 37 37 THR HA H 42 4.392 4.392 4.450 -0.058 17668 10125 1 27 . 1 1 37 37 THR C C 42 175.030 175.030 175.101 -0.071 17668 10126 1 27 . 1 1 37 37 THR CA C 42 60.760 60.760 61.919 -1.159 17668 10127 1 27 . 1 1 37 37 THR CB C 42 69.255 69.255 68.630 0.625 17668 10128 1 27 . 1 1 37 37 THR H H 42 8.453 8.453 8.815 -0.362 17668 10129 1 27 . 1 1 38 38 VAL N N 43 128.476 128.476 128.081 0.395 17668 10130 1 27 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.764 -0.462 17668 10131 1 27 . 1 1 38 38 VAL C C 43 176.067 176.067 177.721 -1.654 17668 10132 1 27 . 1 1 38 38 VAL CA C 43 63.268 63.268 64.911 -1.643 17668 10133 1 27 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.718 0.509 17668 10134 1 27 . 1 1 38 38 VAL H H 43 8.789 8.789 8.416 0.373 17668 10135 1 27 . 1 1 39 39 ALA N N 44 119.180 119.180 118.180 1.000 17668 10136 1 27 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.125 -0.141 17668 10137 1 27 . 1 1 39 39 ALA C C 44 179.167 179.167 177.705 1.462 17668 10138 1 27 . 1 1 39 39 ALA CA C 44 55.225 55.225 53.972 1.253 17668 10139 1 27 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.600 0.395 17668 10140 1 27 . 1 1 39 39 ALA H H 44 8.509 8.509 8.471 0.038 17668 10141 1 27 . 1 1 40 40 THR N N 45 135.586 135.586 106.445 29.141 17668 10142 1 27 . 1 1 40 40 THR HA H 45 4.338 4.338 4.368 -0.030 17668 10143 1 27 . 1 1 40 40 THR C C 45 176.237 176.237 175.756 0.481 17668 10144 1 27 . 1 1 40 40 THR CA C 45 60.254 60.254 61.709 -1.455 17668 10145 1 27 . 1 1 40 40 THR CB C 45 70.261 70.261 71.308 -1.047 17668 10146 1 27 . 1 1 40 40 THR H H 45 6.713 6.713 7.357 -0.644 17668 10147 1 27 . 1 1 41 41 GLY N N 46 110.977 110.977 112.969 -1.992 17668 10148 1 27 . 1 1 41 41 GLY C C 46 172.096 172.096 173.289 -1.193 17668 10149 1 27 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.730 0.495 17668 10150 1 27 . 1 1 41 41 GLY H H 46 7.835 7.835 8.082 -0.247 17668 10151 1 27 . 1 1 42 42 ARG N N 47 118.086 118.086 117.806 0.280 17668 10152 1 27 . 1 1 42 42 ARG C C 47 175.032 175.032 174.549 0.483 17668 10153 1 27 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.601 1.649 17668 10154 1 27 . 1 1 42 42 ARG CB C 47 31.739 31.739 33.846 -2.107 17668 10155 1 27 . 1 1 42 42 ARG H H 47 7.303 7.303 7.836 -0.533 17668 10156 1 27 . 1 1 43 43 LEU N N 48 129.023 129.023 119.713 9.310 17668 10157 1 27 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.242 -0.223 17668 10158 1 27 . 1 1 43 43 LEU C C 48 175.033 175.033 175.631 -0.598 17668 10159 1 27 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.505 -0.255 17668 10160 1 27 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.724 -1.643 17668 10161 1 27 . 1 1 43 43 LEU H H 48 8.986 8.986 8.867 0.119 17668 10162 1 27 . 1 1 44 44 THR N N 49 123.008 123.008 117.139 5.869 17668 10163 1 27 . 1 1 44 44 THR HA H 49 4.964 4.964 5.283 -0.319 17668 10164 1 27 . 1 1 44 44 THR C C 49 173.475 173.475 172.709 0.766 17668 10165 1 27 . 1 1 44 44 THR CA C 49 61.752 61.752 61.977 -0.225 17668 10166 1 27 . 1 1 44 44 THR CB C 49 69.756 69.756 71.320 -1.564 17668 10167 1 27 . 1 1 44 44 THR H H 49 9.154 9.154 8.408 0.746 17668 10168 1 27 . 1 1 45 45 VAL N N 50 125.195 125.195 125.364 -0.169 17668 10169 1 27 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.934 0.248 17668 10170 1 27 . 1 1 45 45 VAL C C 50 172.614 172.614 173.442 -0.828 17668 10171 1 27 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.136 -1.374 17668 10172 1 27 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.554 -0.102 17668 10173 1 27 . 1 1 45 45 VAL H H 50 9.071 9.071 9.310 -0.239 17668 10174 1 27 . 1 1 46 46 THR N N 51 124.648 124.648 124.920 -0.272 17668 10175 1 27 . 1 1 46 46 THR HA H 51 5.782 5.782 5.376 0.406 17668 10176 1 27 . 1 1 46 46 THR C C 51 174.684 174.684 173.451 1.233 17668 10177 1 27 . 1 1 46 46 THR CA C 51 61.248 61.248 61.105 0.143 17668 10178 1 27 . 1 1 46 46 THR CB C 51 70.265 70.265 69.552 0.713 17668 10179 1 27 . 1 1 46 46 THR H H 51 8.930 8.930 8.988 -0.058 17668 10180 1 27 . 1 1 47 47 TYR N N 52 124.648 124.648 124.453 0.195 17668 10181 1 27 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.265 0.026 17668 10182 1 27 . 1 1 47 47 TYR C C 52 171.408 171.408 172.870 -1.462 17668 10183 1 27 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.413 -0.168 17668 10184 1 27 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.382 0.372 17668 10185 1 27 . 1 1 47 47 TYR H H 52 9.603 9.603 9.018 0.585 17668 10186 1 27 . 1 1 48 48 ASP N N 53 119.180 119.180 122.166 -2.986 17668 10187 1 27 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.088 -0.123 17668 10188 1 27 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.941 -0.932 17668 10189 1 27 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.323 -1.765 17668 10190 1 27 . 1 1 48 48 ASP H H 53 8.481 8.481 8.797 -0.316 17668 10191 1 27 . 1 1 49 49 PRO HA H 54 5.373 5.373 5.086 0.287 17668 10192 1 27 . 1 1 49 49 PRO C C 54 178.311 178.311 176.704 1.607 17668 10193 1 27 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.798 -0.535 17668 10194 1 27 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.816 0.427 17668 10195 1 27 . 1 1 50 50 LYS N N 55 116.992 116.992 118.025 -1.033 17668 10196 1 27 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.525 -0.405 17668 10197 1 27 . 1 1 50 50 LYS C C 55 177.802 177.802 177.934 -0.132 17668 10198 1 27 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.351 1.375 17668 10199 1 27 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.618 -1.753 17668 10200 1 27 . 1 1 50 50 LYS H H 55 8.284 8.284 7.992 0.292 17668 10201 1 27 . 1 1 51 51 GLN N N 56 115.352 115.352 118.647 -3.295 17668 10202 1 27 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.255 0.056 17668 10203 1 27 . 1 1 51 51 GLN C C 56 175.031 175.031 176.627 -1.596 17668 10204 1 27 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.141 -1.385 17668 10205 1 27 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.211 3.541 17668 10206 1 27 . 1 1 51 51 GLN H H 56 7.864 7.864 8.112 -0.248 17668 10207 1 27 . 1 1 52 52 VAL N N 57 120.273 120.273 110.180 10.093 17668 10208 1 27 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.589 -0.196 17668 10209 1 27 . 1 1 52 52 VAL C C 57 170.718 170.718 173.612 -2.894 17668 10210 1 27 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.850 -0.078 17668 10211 1 27 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.845 -0.617 17668 10212 1 27 . 1 1 52 52 VAL H H 57 8.172 8.172 8.153 0.019 17668 10213 1 27 . 1 1 53 53 SER N N 58 116.992 116.992 114.676 2.316 17668 10214 1 27 . 1 1 53 53 SER C C 58 175.377 175.377 175.015 0.362 17668 10215 1 27 . 1 1 53 53 SER CA C 58 55.251 55.251 56.208 -0.957 17668 10216 1 27 . 1 1 53 53 SER CB C 58 66.750 66.750 66.725 0.025 17668 10217 1 27 . 1 1 53 53 SER H H 58 7.611 7.611 8.443 -0.832 17668 10218 1 27 . 1 1 54 54 GLU N N 59 120.820 120.820 122.227 -1.407 17668 10219 1 27 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.735 -0.377 17668 10220 1 27 . 1 1 54 54 GLU C C 59 178.308 178.308 178.359 -0.051 17668 10221 1 27 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.796 0.947 17668 10222 1 27 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.378 0.862 17668 10223 1 27 . 1 1 54 54 GLU H H 59 8.930 8.930 8.845 0.085 17668 10224 1 27 . 1 1 55 55 ILE N N 60 118.086 118.086 119.785 -1.699 17668 10225 1 27 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.565 0.173 17668 10226 1 27 . 1 1 55 55 ILE C C 60 177.448 177.448 178.278 -0.830 17668 10227 1 27 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.513 -0.764 17668 10228 1 27 . 1 1 55 55 ILE CB C 60 37.515 37.515 37.374 0.141 17668 10229 1 27 . 1 1 55 55 ILE H H 60 7.583 7.583 7.940 -0.357 17668 10230 1 27 . 1 1 56 56 THR N N 61 119.727 119.727 114.639 5.088 17668 10231 1 27 . 1 1 56 56 THR HA H 61 3.766 3.766 4.039 -0.273 17668 10232 1 27 . 1 1 56 56 THR C C 61 177.104 177.104 176.763 0.341 17668 10233 1 27 . 1 1 56 56 THR CA C 61 66.264 66.264 67.024 -0.760 17668 10234 1 27 . 1 1 56 56 THR CB C 61 68.245 68.245 68.654 -0.409 17668 10235 1 27 . 1 1 56 56 THR H H 61 7.471 7.471 7.984 -0.513 17668 10236 1 27 . 1 1 57 57 ILE N N 62 121.367 121.367 121.894 -0.527 17668 10237 1 27 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.801 -0.770 17668 10238 1 27 . 1 1 57 57 ILE C C 62 176.756 176.756 176.938 -0.182 17668 10239 1 27 . 1 1 57 57 ILE CA C 62 65.760 65.760 63.282 2.478 17668 10240 1 27 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.693 0.558 17668 10241 1 27 . 1 1 57 57 ILE H H 62 7.259 7.259 7.431 -0.172 17668 10242 1 27 . 1 1 58 58 GLN N N 63 117.539 117.539 120.290 -2.751 17668 10243 1 27 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.891 -0.289 17668 10244 1 27 . 1 1 58 58 GLN C C 63 179.172 179.172 178.129 1.043 17668 10245 1 27 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.564 0.191 17668 10246 1 27 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.463 -0.729 17668 10247 1 27 . 1 1 58 58 GLN H H 63 7.976 7.976 8.429 -0.453 17668 10248 1 27 . 1 1 59 59 GLU N N 64 119.180 119.180 117.667 1.513 17668 10249 1 27 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.026 -0.152 17668 10250 1 27 . 1 1 59 59 GLU C C 64 179.866 179.866 178.722 1.144 17668 10251 1 27 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.285 -0.026 17668 10252 1 27 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.326 0.374 17668 10253 1 27 . 1 1 59 59 GLU H H 64 8.622 8.622 8.046 0.576 17668 10254 1 27 . 1 1 60 60 ARG N N 65 119.727 119.727 119.465 0.262 17668 10255 1 27 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.151 -0.058 17668 10256 1 27 . 1 1 60 60 ARG C C 65 178.310 178.310 178.365 -0.055 17668 10257 1 27 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.707 -1.451 17668 10258 1 27 . 1 1 60 60 ARG CB C 65 28.748 28.748 30.168 -1.420 17668 10259 1 27 . 1 1 60 60 ARG H H 65 7.891 7.891 7.380 0.511 17668 10260 1 27 . 1 1 61 61 ILE N N 66 118.086 118.086 119.511 -1.425 17668 10261 1 27 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.757 -0.210 17668 10262 1 27 . 1 1 61 61 ILE C C 66 178.311 178.311 177.633 0.678 17668 10263 1 27 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.436 -0.691 17668 10264 1 27 . 1 1 61 61 ILE CB C 66 37.681 37.681 38.078 -0.397 17668 10265 1 27 . 1 1 61 61 ILE H H 66 7.443 7.443 7.843 -0.400 17668 10266 1 27 . 1 1 62 62 ALA N N 67 121.914 121.914 121.419 0.495 17668 10267 1 27 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.464 0.065 17668 10268 1 27 . 1 1 62 62 ALA C C 67 182.626 182.626 178.856 3.770 17668 10269 1 27 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.579 -0.329 17668 10270 1 27 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.574 -0.839 17668 10271 1 27 . 1 1 62 62 ALA H H 67 8.116 8.116 8.489 -0.373 17668 10272 1 27 . 1 1 63 63 ALA N N 68 121.367 121.367 120.570 0.797 17668 10273 1 27 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.275 -0.263 17668 10274 1 27 . 1 1 63 63 ALA C C 68 179.690 179.690 179.040 0.650 17668 10275 1 27 . 1 1 63 63 ALA CA C 68 54.259 54.259 53.702 0.557 17668 10276 1 27 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.491 -0.270 17668 10277 1 27 . 1 1 63 63 ALA H H 68 7.948 7.948 7.197 0.751 17668 10278 1 27 . 1 1 64 64 LEU N N 69 116.445 116.445 118.258 -1.813 17668 10279 1 27 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.116 0.031 17668 10280 1 27 . 1 1 64 64 LEU C C 69 176.931 176.931 177.445 -0.514 17668 10281 1 27 . 1 1 64 64 LEU CA C 69 55.245 55.245 55.655 -0.410 17668 10282 1 27 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.486 1.756 17668 10283 1 27 . 1 1 64 64 LEU H H 69 7.247 7.247 7.983 -0.736 17668 10284 1 27 . 1 1 65 65 GLY N N 70 103.867 103.867 105.513 -1.646 17668 10285 1 27 . 1 1 65 65 GLY C C 70 173.651 173.651 174.016 -0.365 17668 10286 1 27 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.605 -0.133 17668 10287 1 27 . 1 1 65 65 GLY H H 70 7.668 7.668 7.620 0.048 17668 10288 1 27 . 1 1 66 66 TYR N N 71 119.180 119.180 120.202 -1.022 17668 10289 1 27 . 1 1 66 66 TYR C C 71 174.513 174.513 174.877 -0.364 17668 10290 1 27 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.799 0.221 17668 10291 1 27 . 1 1 66 66 TYR CB C 71 39.502 39.502 39.358 0.144 17668 10292 1 27 . 1 1 66 66 TYR H H 71 6.798 6.798 7.572 -0.774 17668 10293 1 27 . 1 1 67 67 THR N N 72 109.883 109.883 109.673 0.210 17668 10294 1 27 . 1 1 67 67 THR C C 72 173.998 173.998 173.001 0.997 17668 10295 1 27 . 1 1 67 67 THR CA C 72 60.249 60.249 60.194 0.056 17668 10296 1 27 . 1 1 67 67 THR CB C 72 71.254 71.254 71.038 0.216 17668 10297 1 27 . 1 1 67 67 THR H H 72 8.144 8.144 8.212 -0.068 17668 10298 1 27 . 1 1 68 68 LEU N N 73 122.461 122.461 118.557 3.904 17668 10299 1 27 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.357 -0.311 17668 10300 1 27 . 1 1 68 68 LEU C C 73 174.168 174.168 175.242 -1.074 17668 10301 1 27 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.308 -0.056 17668 10302 1 27 . 1 1 68 68 LEU CB C 73 43.743 43.743 46.061 -2.318 17668 10303 1 27 . 1 1 68 68 LEU H H 73 8.397 8.397 8.475 -0.078 17668 10304 1 27 . 1 1 69 69 ALA N N 74 125.195 125.195 122.454 2.741 17668 10305 1 27 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.731 -0.393 17668 10306 1 27 . 1 1 69 69 ALA C C 74 176.931 176.931 175.824 1.107 17668 10307 1 27 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.822 3.432 17668 10308 1 27 . 1 1 69 69 ALA CB C 74 18.225 18.225 21.767 -3.542 17668 10309 1 27 . 1 1 69 69 ALA H H 74 8.200 8.200 8.437 -0.237 17668 10310 1 27 . 1 1 70 70 GLU N N 75 120.820 120.820 123.558 -2.738 17668 10311 1 27 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.792 -0.318 17668 10312 1 27 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.267 2.191 17668 10313 1 27 . 1 1 70 70 GLU CB C 75 29.591 29.591 31.734 -2.143 17668 10314 1 27 . 1 1 70 70 GLU H H 75 8.397 8.397 8.671 -0.274 17668 10315 1 28 . 1 1 2 2 LEU N N 7 119.727 119.727 121.680 -1.953 17668 10316 1 28 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.645 -0.307 17668 10317 1 28 . 1 1 2 2 LEU C C 7 176.410 176.410 177.313 -0.903 17668 10318 1 28 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.157 -0.147 17668 10319 1 28 . 1 1 2 2 LEU CB C 7 43.226 43.226 43.189 0.037 17668 10320 1 28 . 1 1 2 2 LEU H H 7 7.919 7.919 8.335 -0.416 17668 10321 1 28 . 1 1 3 3 LYS N N 8 123.008 123.008 122.390 0.618 17668 10322 1 28 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.661 -0.296 17668 10323 1 28 . 1 1 3 3 LYS C C 8 174.512 174.512 175.261 -0.749 17668 10324 1 28 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.835 -0.094 17668 10325 1 28 . 1 1 3 3 LYS CB C 8 35.723 35.723 34.997 0.726 17668 10326 1 28 . 1 1 3 3 LYS H H 8 8.650 8.650 8.333 0.317 17668 10327 1 28 . 1 1 4 4 THR N N 9 120.273 120.273 118.681 1.592 17668 10328 1 28 . 1 1 4 4 THR HA H 9 5.372 5.372 4.811 0.561 17668 10329 1 28 . 1 1 4 4 THR C C 9 174.170 174.170 173.892 0.278 17668 10330 1 28 . 1 1 4 4 THR CA C 9 61.756 61.756 61.092 0.664 17668 10331 1 28 . 1 1 4 4 THR CB C 9 70.757 70.757 70.127 0.630 17668 10332 1 28 . 1 1 4 4 THR H H 9 8.481 8.481 8.387 0.094 17668 10333 1 28 . 1 1 5 5 GLN N N 10 126.836 126.836 123.873 2.963 17668 10334 1 28 . 1 1 5 5 GLN C C 10 173.651 173.651 173.527 0.124 17668 10335 1 28 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.145 -0.909 17668 10336 1 28 . 1 1 5 5 GLN CB C 10 34.484 34.484 31.496 2.988 17668 10337 1 28 . 1 1 5 5 GLN H H 10 9.295 9.295 8.487 0.808 17668 10338 1 28 . 1 1 6 6 GLN N N 11 121.367 121.367 120.830 0.537 17668 10339 1 28 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.287 0.359 17668 10340 1 28 . 1 1 6 6 GLN C C 11 176.069 176.069 176.060 0.009 17668 10341 1 28 . 1 1 6 6 GLN CA C 11 53.760 53.760 55.291 -1.531 17668 10342 1 28 . 1 1 6 6 GLN CB C 11 31.237 31.237 30.897 0.340 17668 10343 1 28 . 1 1 6 6 GLN H H 11 8.425 8.425 8.547 -0.122 17668 10344 1 28 . 1 1 7 7 MET N N 12 120.273 120.273 117.744 2.529 17668 10345 1 28 . 1 1 7 7 MET C C 12 173.824 173.824 174.380 -0.556 17668 10346 1 28 . 1 1 7 7 MET CA C 12 54.598 54.598 54.233 0.364 17668 10347 1 28 . 1 1 7 7 MET CB C 12 37.258 37.258 36.644 0.614 17668 10348 1 28 . 1 1 7 7 MET H H 12 9.294 9.294 8.646 0.648 17668 10349 1 28 . 1 1 8 8 GLN N N 13 122.461 122.461 121.162 1.299 17668 10350 1 28 . 1 1 8 8 GLN C C 13 174.863 174.863 173.762 1.101 17668 10351 1 28 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.520 -0.767 17668 10352 1 28 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.688 -0.445 17668 10353 1 28 . 1 1 8 8 GLN H H 13 8.790 8.790 8.476 0.314 17668 10354 1 28 . 1 1 9 9 VAL N N 14 126.289 126.289 126.219 0.070 17668 10355 1 28 . 1 1 9 9 VAL C C 14 176.586 176.586 175.564 1.022 17668 10356 1 28 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.224 1.031 17668 10357 1 28 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.645 -2.178 17668 10358 1 28 . 1 1 9 9 VAL H H 14 8.930 8.930 8.075 0.855 17668 10359 1 28 . 1 1 10 10 GLY N N 15 117.539 117.539 109.971 7.568 17668 10360 1 28 . 1 1 10 10 GLY C C 15 173.997 173.997 175.050 -1.053 17668 10361 1 28 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.632 -0.387 17668 10362 1 28 . 1 1 10 10 GLY H H 15 9.351 9.351 8.404 0.947 17668 10363 1 28 . 1 1 11 11 GLY N N 16 107.149 107.149 107.071 0.078 17668 10364 1 28 . 1 1 11 11 GLY C C 16 176.067 176.067 174.679 1.388 17668 10365 1 28 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.432 -0.176 17668 10366 1 28 . 1 1 11 11 GLY H H 16 8.284 8.284 8.566 -0.281 17668 10367 1 28 . 1 1 12 12 MET N N 17 118.633 118.633 119.873 -1.240 17668 10368 1 28 . 1 1 12 12 MET C C 17 177.102 177.102 176.334 0.768 17668 10369 1 28 . 1 1 12 12 MET CA C 17 57.740 57.740 56.160 1.580 17668 10370 1 28 . 1 1 12 12 MET CB C 17 34.243 34.243 32.500 1.743 17668 10371 1 28 . 1 1 12 12 MET H H 17 8.509 8.509 7.005 1.504 17668 10372 1 28 . 1 1 13 13 ARG N N 18 126.836 126.836 118.528 8.308 17668 10373 1 28 . 1 1 13 13 ARG C C 18 175.032 175.032 175.701 -0.669 17668 10374 1 28 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.507 0.732 17668 10375 1 28 . 1 1 13 13 ARG CB C 18 32.744 32.744 27.313 5.431 17668 10376 1 28 . 1 1 13 13 ARG H H 18 10.782 10.782 7.646 3.136 17668 10377 1 28 . 1 1 14 14 CYS N N 19 114.805 114.805 119.601 -4.796 17668 10378 1 28 . 1 1 14 14 CYS CA C 19 56.217 56.217 57.671 -1.454 17668 10379 1 28 . 1 1 14 14 CYS CB C 19 30.413 30.413 30.230 0.183 17668 10380 1 28 . 1 1 14 14 CYS H H 19 8.425 8.425 8.270 0.155 17668 10381 1 28 . 1 1 15 15 ALA CA C 20 51.257 51.257 55.574 -4.317 17668 10382 1 28 . 1 1 15 15 ALA CB C 20 19.247 19.247 18.952 0.295 17668 10383 1 28 . 1 1 16 16 ALA N N 21 118.906 118.906 120.898 -1.992 17668 10384 1 28 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.046 0.101 17668 10385 1 28 . 1 1 16 16 ALA C C 21 180.553 180.553 179.394 1.159 17668 10386 1 28 . 1 1 16 16 ALA CA C 21 54.756 54.756 55.006 -0.250 17668 10387 1 28 . 1 1 16 16 ALA CB C 21 18.233 18.233 17.861 0.372 17668 10388 1 28 . 1 1 17 17 CYS N N 22 121.914 121.914 118.346 3.568 17668 10389 1 28 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.197 -0.376 17668 10390 1 28 . 1 1 17 17 CYS C C 22 177.966 177.966 177.164 0.802 17668 10391 1 28 . 1 1 17 17 CYS CA C 22 64.748 64.748 62.196 2.552 17668 10392 1 28 . 1 1 17 17 CYS CB C 22 29.245 29.245 26.576 2.669 17668 10393 1 28 . 1 1 17 17 CYS H H 22 7.640 7.640 7.609 0.031 17668 10394 1 28 . 1 1 18 18 ALA N N 23 119.180 119.180 122.137 -2.957 17668 10395 1 28 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.974 -0.371 17668 10396 1 28 . 1 1 18 18 ALA C C 23 179.173 179.173 178.925 0.248 17668 10397 1 28 . 1 1 18 18 ALA CA C 23 55.258 55.258 55.522 -0.264 17668 10398 1 28 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.145 0.596 17668 10399 1 28 . 1 1 18 18 ALA H H 23 6.629 6.629 8.277 -1.647 17668 10400 1 28 . 1 1 19 19 SER N N 24 112.618 112.618 114.760 -2.142 17668 10401 1 28 . 1 1 19 19 SER HA H 24 4.147 4.147 4.211 -0.064 17668 10402 1 28 . 1 1 19 19 SER C C 24 176.764 176.764 176.772 -0.008 17668 10403 1 28 . 1 1 19 19 SER CA C 24 61.259 61.259 62.388 -1.129 17668 10404 1 28 . 1 1 19 19 SER CB C 24 62.754 62.754 62.919 -0.165 17668 10405 1 28 . 1 1 19 19 SER H H 24 7.752 7.752 7.430 0.322 17668 10406 1 28 . 1 1 20 20 SER N N 25 116.992 116.992 119.340 -2.348 17668 10407 1 28 . 1 1 20 20 SER HA H 25 3.521 3.521 4.161 -0.640 17668 10408 1 28 . 1 1 20 20 SER C C 25 177.448 177.448 176.268 1.180 17668 10409 1 28 . 1 1 20 20 SER CA C 25 61.870 61.870 61.738 0.132 17668 10410 1 28 . 1 1 20 20 SER CB C 25 62.751 62.751 62.992 -0.242 17668 10411 1 28 . 1 1 20 20 SER H H 25 7.989 7.989 8.478 -0.489 17668 10412 1 28 . 1 1 21 21 ILE N N 26 122.461 122.461 122.558 -0.097 17668 10413 1 28 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.830 -0.500 17668 10414 1 28 . 1 1 21 21 ILE C C 26 176.930 176.930 177.408 -0.478 17668 10415 1 28 . 1 1 21 21 ILE CA C 26 66.255 66.255 65.034 1.221 17668 10416 1 28 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.042 0.195 17668 10417 1 28 . 1 1 21 21 ILE H H 26 7.583 7.583 7.543 0.040 17668 10418 1 28 . 1 1 22 22 GLU N N 27 116.992 116.992 120.030 -3.038 17668 10419 1 28 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.870 -0.404 17668 10420 1 28 . 1 1 22 22 GLU C C 27 178.916 178.916 178.545 0.371 17668 10421 1 28 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.412 1.341 17668 10422 1 28 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.839 -0.132 17668 10423 1 28 . 1 1 22 22 GLU H H 27 8.004 8.004 8.386 -0.382 17668 10424 1 28 . 1 1 23 23 ARG N N 28 114.805 114.805 119.532 -4.727 17668 10425 1 28 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.062 -0.106 17668 10426 1 28 . 1 1 23 23 ARG C C 28 179.517 179.517 177.767 1.750 17668 10427 1 28 . 1 1 23 23 ARG CA C 28 58.752 58.752 59.089 -0.337 17668 10428 1 28 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.227 0.519 17668 10429 1 28 . 1 1 23 23 ARG H H 28 8.256 8.256 8.442 -0.186 17668 10430 1 28 . 1 1 24 24 ALA N N 29 118.633 118.633 120.780 -2.147 17668 10431 1 28 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.255 -0.298 17668 10432 1 28 . 1 1 24 24 ALA C C 29 181.073 181.073 179.535 1.538 17668 10433 1 28 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.774 0.975 17668 10434 1 28 . 1 1 24 24 ALA CB C 29 18.729 18.729 19.085 -0.356 17668 10435 1 28 . 1 1 24 24 ALA H H 29 7.555 7.555 7.685 -0.130 17668 10436 1 28 . 1 1 25 25 LEU N N 30 115.899 115.899 120.072 -4.173 17668 10437 1 28 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.058 -0.074 17668 10438 1 28 . 1 1 25 25 LEU C C 30 178.658 178.658 178.109 0.549 17668 10439 1 28 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.249 -0.028 17668 10440 1 28 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.900 -0.652 17668 10441 1 28 . 1 1 25 25 LEU H H 30 7.976 7.976 7.942 0.034 17668 10442 1 28 . 1 1 26 26 GLU N N 31 115.899 115.899 115.419 0.480 17668 10443 1 28 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.176 -0.438 17668 10444 1 28 . 1 1 26 26 GLU C C 31 177.793 177.793 177.928 -0.135 17668 10445 1 28 . 1 1 26 26 GLU CA C 31 58.727 58.727 58.145 0.582 17668 10446 1 28 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.496 -0.255 17668 10447 1 28 . 1 1 26 26 GLU H H 31 8.116 8.116 8.050 0.066 17668 10448 1 28 . 1 1 27 27 ARG N N 32 114.258 114.258 118.171 -3.913 17668 10449 1 28 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.470 -0.323 17668 10450 1 28 . 1 1 27 27 ARG C C 32 176.757 176.757 177.655 -0.898 17668 10451 1 28 . 1 1 27 27 ARG CA C 32 56.250 56.250 56.216 0.034 17668 10452 1 28 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.289 -0.545 17668 10453 1 28 . 1 1 27 27 ARG H H 32 6.854 6.854 7.856 -1.002 17668 10454 1 28 . 1 1 28 28 LEU N N 33 123.008 123.008 119.598 3.410 17668 10455 1 28 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.039 0.163 17668 10456 1 28 . 1 1 28 28 LEU C C 33 176.412 176.412 176.829 -0.417 17668 10457 1 28 . 1 1 28 28 LEU CA C 33 54.249 54.249 56.448 -2.199 17668 10458 1 28 . 1 1 28 28 LEU CB C 33 41.739 41.739 41.878 -0.139 17668 10459 1 28 . 1 1 28 28 LEU H H 33 7.501 7.501 7.579 -0.078 17668 10460 1 28 . 1 1 29 29 LYS N N 34 127.383 127.383 114.908 12.475 17668 10461 1 28 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.038 -0.164 17668 10462 1 28 . 1 1 29 29 LYS C C 34 176.412 176.412 177.902 -1.490 17668 10463 1 28 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.550 1.692 17668 10464 1 28 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.145 -0.400 17668 10465 1 28 . 1 1 29 29 LYS H H 34 8.341 8.341 7.674 0.667 17668 10466 1 28 . 1 1 30 30 GLY N N 35 111.524 111.524 107.571 3.953 17668 10467 1 28 . 1 1 30 30 GLY C C 35 175.715 175.715 174.592 1.123 17668 10468 1 28 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.810 -0.322 17668 10469 1 28 . 1 1 30 30 GLY H H 35 8.509 8.509 8.776 -0.267 17668 10470 1 28 . 1 1 31 31 VAL N N 36 122.461 122.461 122.701 -0.240 17668 10471 1 28 . 1 1 31 31 VAL HA H 36 3.874 3.874 3.967 -0.093 17668 10472 1 28 . 1 1 31 31 VAL C C 36 175.032 175.032 174.872 0.160 17668 10473 1 28 . 1 1 31 31 VAL CA C 36 63.757 63.757 63.441 0.316 17668 10474 1 28 . 1 1 31 31 VAL CB C 36 31.250 31.250 32.078 -0.828 17668 10475 1 28 . 1 1 31 31 VAL H H 36 7.892 7.892 7.744 0.148 17668 10476 1 28 . 1 1 32 32 ALA N N 37 131.758 131.758 130.561 1.197 17668 10477 1 28 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.677 -0.312 17668 10478 1 28 . 1 1 32 32 ALA C C 37 177.619 177.619 177.094 0.525 17668 10479 1 28 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.399 0.847 17668 10480 1 28 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.097 -0.375 17668 10481 1 28 . 1 1 32 32 ALA H H 37 9.042 9.042 9.017 0.025 17668 10482 1 28 . 1 1 33 33 GLU N N 38 114.258 114.258 117.607 -3.349 17668 10483 1 28 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.636 -0.135 17668 10484 1 28 . 1 1 33 33 GLU C C 38 173.651 173.651 174.113 -0.462 17668 10485 1 28 . 1 1 33 33 GLU CA C 38 55.577 55.577 55.971 -0.395 17668 10486 1 28 . 1 1 33 33 GLU CB C 38 33.666 33.666 33.843 -0.176 17668 10487 1 28 . 1 1 33 33 GLU H H 38 7.555 7.555 7.847 -0.292 17668 10488 1 28 . 1 1 34 34 ALA N N 39 125.742 125.742 125.612 0.130 17668 10489 1 28 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.201 -0.100 17668 10490 1 28 . 1 1 34 34 ALA C C 39 175.033 175.033 176.197 -1.164 17668 10491 1 28 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.546 -0.266 17668 10492 1 28 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.089 1.148 17668 10493 1 28 . 1 1 34 34 ALA H H 39 9.014 9.014 8.353 0.661 17668 10494 1 28 . 1 1 35 35 SER N N 40 113.711 113.711 117.439 -3.728 17668 10495 1 28 . 1 1 35 35 SER HA H 40 4.855 4.855 5.111 -0.256 17668 10496 1 28 . 1 1 35 35 SER C C 40 173.824 173.824 174.309 -0.485 17668 10497 1 28 . 1 1 35 35 SER CA C 40 56.254 56.254 57.934 -1.681 17668 10498 1 28 . 1 1 35 35 SER CB C 40 65.255 65.255 65.720 -0.465 17668 10499 1 28 . 1 1 35 35 SER H H 40 8.481 8.481 8.958 -0.477 17668 10500 1 28 . 1 1 36 36 VAL N N 41 129.570 129.570 122.809 6.761 17668 10501 1 28 . 1 1 36 36 VAL C C 41 175.204 175.204 175.811 -0.607 17668 10502 1 28 . 1 1 36 36 VAL CA C 41 60.265 60.265 61.682 -1.417 17668 10503 1 28 . 1 1 36 36 VAL CB C 41 33.743 33.743 31.905 1.838 17668 10504 1 28 . 1 1 36 36 VAL H H 41 10.164 10.164 9.464 0.700 17668 10505 1 28 . 1 1 37 37 THR N N 42 123.008 123.008 121.219 1.789 17668 10506 1 28 . 1 1 37 37 THR HA H 42 4.392 4.392 4.689 -0.297 17668 10507 1 28 . 1 1 37 37 THR C C 42 175.030 175.030 174.844 0.186 17668 10508 1 28 . 1 1 37 37 THR CA C 42 60.760 60.760 61.376 -0.616 17668 10509 1 28 . 1 1 37 37 THR CB C 42 69.255 69.255 70.181 -0.927 17668 10510 1 28 . 1 1 37 37 THR H H 42 8.453 8.453 8.362 0.091 17668 10511 1 28 . 1 1 38 38 VAL N N 43 128.476 128.476 128.390 0.086 17668 10512 1 28 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.696 -0.394 17668 10513 1 28 . 1 1 38 38 VAL C C 43 176.067 176.067 177.466 -1.399 17668 10514 1 28 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.751 -2.483 17668 10515 1 28 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.785 0.443 17668 10516 1 28 . 1 1 38 38 VAL H H 43 8.789 8.789 8.769 0.020 17668 10517 1 28 . 1 1 39 39 ALA N N 44 119.180 119.180 121.265 -2.085 17668 10518 1 28 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.086 -0.102 17668 10519 1 28 . 1 1 39 39 ALA C C 44 179.167 179.167 178.225 0.942 17668 10520 1 28 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.718 0.507 17668 10521 1 28 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.654 0.341 17668 10522 1 28 . 1 1 39 39 ALA H H 44 8.509 8.509 8.037 0.472 17668 10523 1 28 . 1 1 40 40 THR N N 45 135.586 135.586 104.066 31.520 17668 10524 1 28 . 1 1 40 40 THR HA H 45 4.338 4.338 4.324 0.014 17668 10525 1 28 . 1 1 40 40 THR C C 45 176.237 176.237 175.478 0.759 17668 10526 1 28 . 1 1 40 40 THR CA C 45 60.254 60.254 61.194 -0.940 17668 10527 1 28 . 1 1 40 40 THR CB C 45 70.261 70.261 70.388 -0.127 17668 10528 1 28 . 1 1 40 40 THR H H 45 6.713 6.713 7.486 -0.773 17668 10529 1 28 . 1 1 41 41 GLY N N 46 110.977 110.977 112.144 -1.167 17668 10530 1 28 . 1 1 41 41 GLY C C 46 172.096 172.096 172.791 -0.695 17668 10531 1 28 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.421 0.804 17668 10532 1 28 . 1 1 41 41 GLY H H 46 7.835 7.835 7.957 -0.122 17668 10533 1 28 . 1 1 42 42 ARG N N 47 118.086 118.086 117.171 0.915 17668 10534 1 28 . 1 1 42 42 ARG C C 47 175.032 175.032 173.313 1.719 17668 10535 1 28 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.075 2.175 17668 10536 1 28 . 1 1 42 42 ARG CB C 47 31.739 31.739 33.837 -2.098 17668 10537 1 28 . 1 1 42 42 ARG H H 47 7.303 7.303 8.076 -0.773 17668 10538 1 28 . 1 1 43 43 LEU N N 48 129.023 129.023 120.010 9.013 17668 10539 1 28 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.044 -0.025 17668 10540 1 28 . 1 1 43 43 LEU C C 48 175.033 175.033 175.062 -0.029 17668 10541 1 28 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.792 -0.542 17668 10542 1 28 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.931 -1.850 17668 10543 1 28 . 1 1 43 43 LEU H H 48 8.986 8.986 7.988 0.998 17668 10544 1 28 . 1 1 44 44 THR N N 49 123.008 123.008 119.416 3.592 17668 10545 1 28 . 1 1 44 44 THR HA H 49 4.964 4.964 5.244 -0.280 17668 10546 1 28 . 1 1 44 44 THR C C 49 173.475 173.475 172.761 0.714 17668 10547 1 28 . 1 1 44 44 THR CA C 49 61.752 61.752 61.778 -0.026 17668 10548 1 28 . 1 1 44 44 THR CB C 49 69.756 69.756 70.407 -0.651 17668 10549 1 28 . 1 1 44 44 THR H H 49 9.154 9.154 8.345 0.809 17668 10550 1 28 . 1 1 45 45 VAL N N 50 125.195 125.195 126.413 -1.218 17668 10551 1 28 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.947 0.235 17668 10552 1 28 . 1 1 45 45 VAL C C 50 172.614 172.614 173.513 -0.899 17668 10553 1 28 . 1 1 45 45 VAL CA C 50 58.762 58.762 59.856 -1.094 17668 10554 1 28 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.689 -0.237 17668 10555 1 28 . 1 1 45 45 VAL H H 50 9.071 9.071 9.283 -0.211 17668 10556 1 28 . 1 1 46 46 THR N N 51 124.648 124.648 124.285 0.363 17668 10557 1 28 . 1 1 46 46 THR HA H 51 5.782 5.782 5.470 0.312 17668 10558 1 28 . 1 1 46 46 THR C C 51 174.684 174.684 173.935 0.749 17668 10559 1 28 . 1 1 46 46 THR CA C 51 61.248 61.248 60.893 0.355 17668 10560 1 28 . 1 1 46 46 THR CB C 51 70.265 70.265 69.874 0.391 17668 10561 1 28 . 1 1 46 46 THR H H 51 8.930 8.930 9.078 -0.148 17668 10562 1 28 . 1 1 47 47 TYR N N 52 124.648 124.648 122.768 1.880 17668 10563 1 28 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.195 0.096 17668 10564 1 28 . 1 1 47 47 TYR C C 52 171.408 171.408 172.704 -1.296 17668 10565 1 28 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.887 -0.642 17668 10566 1 28 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.251 0.503 17668 10567 1 28 . 1 1 47 47 TYR H H 52 9.603 9.603 8.875 0.728 17668 10568 1 28 . 1 1 48 48 ASP N N 53 119.180 119.180 121.275 -2.095 17668 10569 1 28 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.151 -0.186 17668 10570 1 28 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.375 -0.366 17668 10571 1 28 . 1 1 48 48 ASP CB C 53 41.558 41.558 43.631 -2.073 17668 10572 1 28 . 1 1 48 48 ASP H H 53 8.481 8.481 8.575 -0.094 17668 10573 1 28 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.998 0.375 17668 10574 1 28 . 1 1 49 49 PRO C C 54 178.311 178.311 176.650 1.661 17668 10575 1 28 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.659 -0.396 17668 10576 1 28 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.623 0.620 17668 10577 1 28 . 1 1 50 50 LYS N N 55 116.992 116.992 117.763 -0.771 17668 10578 1 28 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.492 -0.372 17668 10579 1 28 . 1 1 50 50 LYS C C 55 177.802 177.802 177.531 0.271 17668 10580 1 28 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.720 1.006 17668 10581 1 28 . 1 1 50 50 LYS CB C 55 31.865 31.865 34.238 -2.373 17668 10582 1 28 . 1 1 50 50 LYS H H 55 8.284 8.284 8.488 -0.204 17668 10583 1 28 . 1 1 51 51 GLN N N 56 115.352 115.352 118.896 -3.544 17668 10584 1 28 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.203 0.108 17668 10585 1 28 . 1 1 51 51 GLN C C 56 175.031 175.031 176.877 -1.846 17668 10586 1 28 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.528 -1.772 17668 10587 1 28 . 1 1 51 51 GLN CB C 56 33.752 33.752 29.984 3.768 17668 10588 1 28 . 1 1 51 51 GLN H H 56 7.864 7.864 8.529 -0.665 17668 10589 1 28 . 1 1 52 52 VAL N N 57 120.273 120.273 111.208 9.065 17668 10590 1 28 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.480 -0.087 17668 10591 1 28 . 1 1 52 52 VAL C C 57 170.718 170.718 174.111 -3.393 17668 10592 1 28 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.605 0.167 17668 10593 1 28 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.881 -0.653 17668 10594 1 28 . 1 1 52 52 VAL H H 57 8.172 8.172 8.184 -0.012 17668 10595 1 28 . 1 1 53 53 SER N N 58 116.992 116.992 113.256 3.736 17668 10596 1 28 . 1 1 53 53 SER C C 58 175.377 175.377 175.525 -0.148 17668 10597 1 28 . 1 1 53 53 SER CA C 58 55.251 55.251 57.920 -2.669 17668 10598 1 28 . 1 1 53 53 SER CB C 58 66.750 66.750 66.153 0.597 17668 10599 1 28 . 1 1 53 53 SER H H 58 7.611 7.611 8.042 -0.431 17668 10600 1 28 . 1 1 54 54 GLU N N 59 120.820 120.820 121.877 -1.057 17668 10601 1 28 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.844 -0.486 17668 10602 1 28 . 1 1 54 54 GLU C C 59 178.308 178.308 178.498 -0.190 17668 10603 1 28 . 1 1 54 54 GLU CA C 59 59.743 59.743 59.434 0.310 17668 10604 1 28 . 1 1 54 54 GLU CB C 59 29.240 29.240 29.145 0.095 17668 10605 1 28 . 1 1 54 54 GLU H H 59 8.930 8.930 8.892 0.038 17668 10606 1 28 . 1 1 55 55 ILE N N 60 118.086 118.086 119.626 -1.540 17668 10607 1 28 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.688 0.050 17668 10608 1 28 . 1 1 55 55 ILE C C 60 177.448 177.448 177.879 -0.431 17668 10609 1 28 . 1 1 55 55 ILE CA C 60 63.749 63.749 63.980 -0.231 17668 10610 1 28 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.896 0.619 17668 10611 1 28 . 1 1 55 55 ILE H H 60 7.583 7.583 7.465 0.118 17668 10612 1 28 . 1 1 56 56 THR N N 61 119.727 119.727 114.981 4.746 17668 10613 1 28 . 1 1 56 56 THR HA H 61 3.766 3.766 3.975 -0.209 17668 10614 1 28 . 1 1 56 56 THR C C 61 177.104 177.104 176.706 0.398 17668 10615 1 28 . 1 1 56 56 THR CA C 61 66.264 66.264 66.769 -0.506 17668 10616 1 28 . 1 1 56 56 THR CB C 61 68.245 68.245 68.650 -0.405 17668 10617 1 28 . 1 1 56 56 THR H H 61 7.471 7.471 7.618 -0.147 17668 10618 1 28 . 1 1 57 57 ILE N N 62 121.367 121.367 121.011 0.356 17668 10619 1 28 . 1 1 57 57 ILE HA H 62 3.031 3.031 3.906 -0.875 17668 10620 1 28 . 1 1 57 57 ILE C C 62 176.756 176.756 176.484 0.272 17668 10621 1 28 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.423 3.337 17668 10622 1 28 . 1 1 57 57 ILE CB C 62 38.251 38.251 37.812 0.439 17668 10623 1 28 . 1 1 57 57 ILE H H 62 7.259 7.259 7.292 -0.033 17668 10624 1 28 . 1 1 58 58 GLN N N 63 117.539 117.539 121.431 -3.892 17668 10625 1 28 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.777 -0.175 17668 10626 1 28 . 1 1 58 58 GLN C C 63 179.172 179.172 178.129 1.043 17668 10627 1 28 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.766 -0.011 17668 10628 1 28 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.705 -0.971 17668 10629 1 28 . 1 1 58 58 GLN H H 63 7.976 7.976 8.498 -0.522 17668 10630 1 28 . 1 1 59 59 GLU N N 64 119.180 119.180 118.628 0.552 17668 10631 1 28 . 1 1 59 59 GLU HA H 64 3.874 3.874 3.900 -0.026 17668 10632 1 28 . 1 1 59 59 GLU C C 64 179.866 179.866 179.067 0.799 17668 10633 1 28 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.445 -0.186 17668 10634 1 28 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.347 0.353 17668 10635 1 28 . 1 1 59 59 GLU H H 64 8.622 8.622 8.136 0.486 17668 10636 1 28 . 1 1 60 60 ARG N N 65 119.727 119.727 119.342 0.385 17668 10637 1 28 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.171 -0.078 17668 10638 1 28 . 1 1 60 60 ARG C C 65 178.310 178.310 178.733 -0.423 17668 10639 1 28 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.107 -0.851 17668 10640 1 28 . 1 1 60 60 ARG CB C 65 28.748 28.748 29.592 -0.844 17668 10641 1 28 . 1 1 60 60 ARG H H 65 7.891 7.891 7.711 0.180 17668 10642 1 28 . 1 1 61 61 ILE N N 66 118.086 118.086 119.339 -1.253 17668 10643 1 28 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.750 -0.203 17668 10644 1 28 . 1 1 61 61 ILE C C 66 178.311 178.311 177.541 0.770 17668 10645 1 28 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.282 -0.537 17668 10646 1 28 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.917 -0.236 17668 10647 1 28 . 1 1 61 61 ILE H H 66 7.443 7.443 7.699 -0.256 17668 10648 1 28 . 1 1 62 62 ALA N N 67 121.914 121.914 122.136 -0.222 17668 10649 1 28 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.377 0.152 17668 10650 1 28 . 1 1 62 62 ALA C C 67 182.626 182.626 180.167 2.459 17668 10651 1 28 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.523 -0.273 17668 10652 1 28 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.410 -0.675 17668 10653 1 28 . 1 1 62 62 ALA H H 67 8.116 8.116 8.232 -0.116 17668 10654 1 28 . 1 1 63 63 ALA N N 68 121.367 121.367 122.313 -0.946 17668 10655 1 28 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.108 -0.096 17668 10656 1 28 . 1 1 63 63 ALA C C 68 179.690 179.690 179.153 0.537 17668 10657 1 28 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.517 -0.258 17668 10658 1 28 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.551 -0.330 17668 10659 1 28 . 1 1 63 63 ALA H H 68 7.948 7.948 7.941 0.007 17668 10660 1 28 . 1 1 64 64 LEU N N 69 116.445 116.445 116.099 0.346 17668 10661 1 28 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.117 0.030 17668 10662 1 28 . 1 1 64 64 LEU C C 69 176.931 176.931 177.204 -0.273 17668 10663 1 28 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.742 0.503 17668 10664 1 28 . 1 1 64 64 LEU CB C 69 43.241 43.241 40.724 2.517 17668 10665 1 28 . 1 1 64 64 LEU H H 69 7.247 7.247 7.459 -0.212 17668 10666 1 28 . 1 1 65 65 GLY N N 70 103.867 103.867 105.252 -1.385 17668 10667 1 28 . 1 1 65 65 GLY C C 70 173.651 173.651 174.146 -0.495 17668 10668 1 28 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.587 -0.115 17668 10669 1 28 . 1 1 65 65 GLY H H 70 7.668 7.668 7.710 -0.042 17668 10670 1 28 . 1 1 66 66 TYR N N 71 119.180 119.180 120.325 -1.145 17668 10671 1 28 . 1 1 66 66 TYR C C 71 174.513 174.513 175.217 -0.704 17668 10672 1 28 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.539 0.481 17668 10673 1 28 . 1 1 66 66 TYR CB C 71 39.502 39.502 38.888 0.614 17668 10674 1 28 . 1 1 66 66 TYR H H 71 6.798 6.798 7.366 -0.568 17668 10675 1 28 . 1 1 67 67 THR N N 72 109.883 109.883 111.380 -1.497 17668 10676 1 28 . 1 1 67 67 THR C C 72 173.998 173.998 173.261 0.737 17668 10677 1 28 . 1 1 67 67 THR CA C 72 60.249 60.249 61.178 -0.930 17668 10678 1 28 . 1 1 67 67 THR CB C 72 71.254 71.254 71.286 -0.032 17668 10679 1 28 . 1 1 67 67 THR H H 72 8.144 8.144 8.357 -0.213 17668 10680 1 28 . 1 1 68 68 LEU N N 73 122.461 122.461 115.526 6.935 17668 10681 1 28 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.581 -0.535 17668 10682 1 28 . 1 1 68 68 LEU C C 73 174.168 174.168 174.864 -0.696 17668 10683 1 28 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.477 -0.225 17668 10684 1 28 . 1 1 68 68 LEU CB C 73 43.743 43.743 46.366 -2.623 17668 10685 1 28 . 1 1 68 68 LEU H H 73 8.397 8.397 8.439 -0.042 17668 10686 1 28 . 1 1 69 69 ALA N N 74 125.195 125.195 121.092 4.103 17668 10687 1 28 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.495 -0.157 17668 10688 1 28 . 1 1 69 69 ALA C C 74 176.931 176.931 174.898 2.033 17668 10689 1 28 . 1 1 69 69 ALA CA C 74 55.254 55.254 52.546 2.708 17668 10690 1 28 . 1 1 69 69 ALA CB C 74 18.225 18.225 22.047 -3.822 17668 10691 1 28 . 1 1 69 69 ALA H H 74 8.200 8.200 8.907 -0.707 17668 10692 1 28 . 1 1 70 70 GLU N N 75 120.820 120.820 121.506 -0.686 17668 10693 1 28 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.708 -0.234 17668 10694 1 28 . 1 1 70 70 GLU CA C 75 54.458 54.458 53.100 1.358 17668 10695 1 28 . 1 1 70 70 GLU CB C 75 29.591 29.591 30.693 -1.102 17668 10696 1 28 . 1 1 70 70 GLU H H 75 8.397 8.397 8.651 -0.254 17668 10697 1 29 . 1 1 2 2 LEU N N 7 119.727 119.727 118.665 1.062 17668 10698 1 29 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.783 -0.445 17668 10699 1 29 . 1 1 2 2 LEU C C 7 176.410 176.410 176.160 0.250 17668 10700 1 29 . 1 1 2 2 LEU CA C 7 54.010 54.010 53.859 0.151 17668 10701 1 29 . 1 1 2 2 LEU CB C 7 43.226 43.226 43.406 -0.180 17668 10702 1 29 . 1 1 2 2 LEU H H 7 7.919 7.919 8.196 -0.277 17668 10703 1 29 . 1 1 3 3 LYS N N 8 123.008 123.008 118.478 4.530 17668 10704 1 29 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.551 -0.186 17668 10705 1 29 . 1 1 3 3 LYS C C 8 174.512 174.512 175.169 -0.657 17668 10706 1 29 . 1 1 3 3 LYS CA C 8 54.741 54.741 55.398 -0.657 17668 10707 1 29 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.584 0.139 17668 10708 1 29 . 1 1 3 3 LYS H H 8 8.650 8.650 8.131 0.519 17668 10709 1 29 . 1 1 4 4 THR N N 9 120.273 120.273 116.181 4.092 17668 10710 1 29 . 1 1 4 4 THR HA H 9 5.372 5.372 4.922 0.450 17668 10711 1 29 . 1 1 4 4 THR C C 9 174.170 174.170 173.726 0.444 17668 10712 1 29 . 1 1 4 4 THR CA C 9 61.756 61.756 60.481 1.275 17668 10713 1 29 . 1 1 4 4 THR CB C 9 70.757 70.757 70.383 0.374 17668 10714 1 29 . 1 1 4 4 THR H H 9 8.481 8.481 8.272 0.209 17668 10715 1 29 . 1 1 5 5 GLN N N 10 126.836 126.836 122.206 4.630 17668 10716 1 29 . 1 1 5 5 GLN C C 10 173.651 173.651 173.102 0.549 17668 10717 1 29 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.575 -1.339 17668 10718 1 29 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.173 2.311 17668 10719 1 29 . 1 1 5 5 GLN H H 10 9.295 9.295 8.293 1.002 17668 10720 1 29 . 1 1 6 6 GLN N N 11 121.367 121.367 124.345 -2.978 17668 10721 1 29 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.418 0.228 17668 10722 1 29 . 1 1 6 6 GLN C C 11 176.069 176.069 174.691 1.378 17668 10723 1 29 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.724 -0.964 17668 10724 1 29 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.675 -0.438 17668 10725 1 29 . 1 1 6 6 GLN H H 11 8.425 8.425 8.550 -0.125 17668 10726 1 29 . 1 1 7 7 MET N N 12 120.273 120.273 121.018 -0.745 17668 10727 1 29 . 1 1 7 7 MET C C 12 173.824 173.824 173.774 0.050 17668 10728 1 29 . 1 1 7 7 MET CA C 12 54.598 54.598 55.074 -0.476 17668 10729 1 29 . 1 1 7 7 MET CB C 12 37.258 37.258 35.999 1.259 17668 10730 1 29 . 1 1 7 7 MET H H 12 9.294 9.294 9.143 0.151 17668 10731 1 29 . 1 1 8 8 GLN N N 13 122.461 122.461 119.597 2.864 17668 10732 1 29 . 1 1 8 8 GLN C C 13 174.863 174.863 174.763 0.100 17668 10733 1 29 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.688 -0.936 17668 10734 1 29 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.048 0.195 17668 10735 1 29 . 1 1 8 8 GLN H H 13 8.790 8.790 8.844 -0.054 17668 10736 1 29 . 1 1 9 9 VAL N N 14 126.289 126.289 121.838 4.451 17668 10737 1 29 . 1 1 9 9 VAL C C 14 176.586 176.586 174.983 1.603 17668 10738 1 29 . 1 1 9 9 VAL CA C 14 61.255 61.255 59.340 1.915 17668 10739 1 29 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.523 -2.055 17668 10740 1 29 . 1 1 9 9 VAL H H 14 8.930 8.930 8.574 0.356 17668 10741 1 29 . 1 1 10 10 GLY N N 15 117.539 117.539 112.305 5.234 17668 10742 1 29 . 1 1 10 10 GLY C C 15 173.997 173.997 173.942 0.055 17668 10743 1 29 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.689 -0.444 17668 10744 1 29 . 1 1 10 10 GLY H H 15 9.351 9.351 8.875 0.476 17668 10745 1 29 . 1 1 11 11 GLY N N 16 107.149 107.149 112.811 -5.662 17668 10746 1 29 . 1 1 11 11 GLY C C 16 176.067 176.067 175.174 0.893 17668 10747 1 29 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.720 -0.464 17668 10748 1 29 . 1 1 11 11 GLY H H 16 8.284 8.284 7.865 0.419 17668 10749 1 29 . 1 1 12 12 MET N N 17 118.633 118.633 119.899 -1.266 17668 10750 1 29 . 1 1 12 12 MET C C 17 177.102 177.102 176.135 0.967 17668 10751 1 29 . 1 1 12 12 MET CA C 17 57.740 57.740 55.403 2.337 17668 10752 1 29 . 1 1 12 12 MET CB C 17 34.243 34.243 32.244 1.999 17668 10753 1 29 . 1 1 12 12 MET H H 17 8.509 8.509 7.978 0.531 17668 10754 1 29 . 1 1 13 13 ARG N N 18 126.836 126.836 118.944 7.892 17668 10755 1 29 . 1 1 13 13 ARG C C 18 175.032 175.032 176.456 -1.424 17668 10756 1 29 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.803 0.435 17668 10757 1 29 . 1 1 13 13 ARG CB C 18 32.744 32.744 28.472 4.272 17668 10758 1 29 . 1 1 13 13 ARG H H 18 10.782 10.782 8.072 2.710 17668 10759 1 29 . 1 1 14 14 CYS N N 19 114.805 114.805 121.125 -6.320 17668 10760 1 29 . 1 1 14 14 CYS CA C 19 56.217 56.217 60.511 -4.294 17668 10761 1 29 . 1 1 14 14 CYS CB C 19 30.413 30.413 25.675 4.738 17668 10762 1 29 . 1 1 14 14 CYS H H 19 8.425 8.425 8.755 -0.330 17668 10763 1 29 . 1 1 15 15 ALA CA C 20 51.257 51.257 52.314 -1.057 17668 10764 1 29 . 1 1 15 15 ALA CB C 20 19.247 19.247 19.426 -0.179 17668 10765 1 29 . 1 1 16 16 ALA N N 21 118.906 118.906 120.804 -1.898 17668 10766 1 29 . 1 1 16 16 ALA HA H 21 4.147 4.147 3.850 0.297 17668 10767 1 29 . 1 1 16 16 ALA C C 21 180.553 180.553 177.786 2.767 17668 10768 1 29 . 1 1 16 16 ALA CA C 21 54.756 54.756 53.570 1.186 17668 10769 1 29 . 1 1 16 16 ALA CB C 21 18.233 18.233 16.675 1.558 17668 10770 1 29 . 1 1 17 17 CYS N N 22 121.914 121.914 118.289 3.625 17668 10771 1 29 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.118 -0.297 17668 10772 1 29 . 1 1 17 17 CYS C C 22 177.966 177.966 175.849 2.117 17668 10773 1 29 . 1 1 17 17 CYS CA C 22 64.748 64.748 60.110 4.638 17668 10774 1 29 . 1 1 17 17 CYS CB C 22 29.245 29.245 26.978 2.267 17668 10775 1 29 . 1 1 17 17 CYS H H 22 7.640 7.640 7.559 0.081 17668 10776 1 29 . 1 1 18 18 ALA N N 23 119.180 119.180 123.553 -4.373 17668 10777 1 29 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.944 -0.341 17668 10778 1 29 . 1 1 18 18 ALA C C 23 179.173 179.173 179.062 0.111 17668 10779 1 29 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.386 0.871 17668 10780 1 29 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.304 0.437 17668 10781 1 29 . 1 1 18 18 ALA H H 23 6.629 6.629 8.062 -1.433 17668 10782 1 29 . 1 1 19 19 SER N N 24 112.618 112.618 114.069 -1.451 17668 10783 1 29 . 1 1 19 19 SER HA H 24 4.147 4.147 4.076 0.071 17668 10784 1 29 . 1 1 19 19 SER C C 24 176.764 176.764 176.839 -0.075 17668 10785 1 29 . 1 1 19 19 SER CA C 24 61.259 61.259 62.313 -1.054 17668 10786 1 29 . 1 1 19 19 SER CB C 24 62.754 62.754 62.794 -0.040 17668 10787 1 29 . 1 1 19 19 SER H H 24 7.752 7.752 8.062 -0.310 17668 10788 1 29 . 1 1 20 20 SER N N 25 116.992 116.992 117.509 -0.517 17668 10789 1 29 . 1 1 20 20 SER HA H 25 3.521 3.521 4.272 -0.751 17668 10790 1 29 . 1 1 20 20 SER C C 25 177.448 177.448 176.410 1.038 17668 10791 1 29 . 1 1 20 20 SER CA C 25 61.870 61.870 61.277 0.593 17668 10792 1 29 . 1 1 20 20 SER CB C 25 62.751 62.751 62.758 -0.007 17668 10793 1 29 . 1 1 20 20 SER H H 25 7.989 7.989 8.249 -0.260 17668 10794 1 29 . 1 1 21 21 ILE N N 26 122.461 122.461 122.854 -0.393 17668 10795 1 29 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.922 -0.592 17668 10796 1 29 . 1 1 21 21 ILE C C 26 176.930 176.930 178.623 -1.693 17668 10797 1 29 . 1 1 21 21 ILE CA C 26 66.255 66.255 63.087 3.168 17668 10798 1 29 . 1 1 21 21 ILE CB C 26 38.237 38.237 36.682 1.555 17668 10799 1 29 . 1 1 21 21 ILE H H 26 7.583 7.583 7.838 -0.255 17668 10800 1 29 . 1 1 22 22 GLU N N 27 116.992 116.992 118.238 -1.246 17668 10801 1 29 . 1 1 22 22 GLU HA H 27 3.466 3.466 4.134 -0.668 17668 10802 1 29 . 1 1 22 22 GLU C C 27 178.916 178.916 178.898 0.018 17668 10803 1 29 . 1 1 22 22 GLU CA C 27 60.753 60.753 58.545 2.208 17668 10804 1 29 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.117 0.590 17668 10805 1 29 . 1 1 22 22 GLU H H 27 8.004 8.004 8.569 -0.565 17668 10806 1 29 . 1 1 23 23 ARG N N 28 114.805 114.805 120.138 -5.333 17668 10807 1 29 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.157 -0.201 17668 10808 1 29 . 1 1 23 23 ARG C C 28 179.517 179.517 177.293 2.224 17668 10809 1 29 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.633 0.119 17668 10810 1 29 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.513 0.233 17668 10811 1 29 . 1 1 23 23 ARG H H 28 8.256 8.256 7.657 0.599 17668 10812 1 29 . 1 1 24 24 ALA N N 29 118.633 118.633 120.866 -2.233 17668 10813 1 29 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.251 -0.294 17668 10814 1 29 . 1 1 24 24 ALA C C 29 181.073 181.073 179.920 1.153 17668 10815 1 29 . 1 1 24 24 ALA CA C 29 54.749 54.749 54.135 0.614 17668 10816 1 29 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.438 0.291 17668 10817 1 29 . 1 1 24 24 ALA H H 29 7.555 7.555 7.792 -0.237 17668 10818 1 29 . 1 1 25 25 LEU N N 30 115.899 115.899 120.185 -4.286 17668 10819 1 29 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.021 -0.037 17668 10820 1 29 . 1 1 25 25 LEU C C 30 178.658 178.658 177.886 0.772 17668 10821 1 29 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.882 -0.661 17668 10822 1 29 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.913 -0.666 17668 10823 1 29 . 1 1 25 25 LEU H H 30 7.976 7.976 7.640 0.336 17668 10824 1 29 . 1 1 26 26 GLU N N 31 115.899 115.899 115.690 0.209 17668 10825 1 29 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.132 -0.394 17668 10826 1 29 . 1 1 26 26 GLU C C 31 177.793 177.793 177.695 0.098 17668 10827 1 29 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.960 0.767 17668 10828 1 29 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.329 -0.088 17668 10829 1 29 . 1 1 26 26 GLU H H 31 8.116 8.116 8.447 -0.331 17668 10830 1 29 . 1 1 27 27 ARG N N 32 114.258 114.258 118.909 -4.651 17668 10831 1 29 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.318 -0.171 17668 10832 1 29 . 1 1 27 27 ARG C C 32 176.757 176.757 177.333 -0.576 17668 10833 1 29 . 1 1 27 27 ARG CA C 32 56.250 56.250 55.810 0.440 17668 10834 1 29 . 1 1 27 27 ARG CB C 32 30.744 30.744 30.579 0.165 17668 10835 1 29 . 1 1 27 27 ARG H H 32 6.854 6.854 7.884 -1.030 17668 10836 1 29 . 1 1 28 28 LEU N N 33 123.008 123.008 120.965 2.043 17668 10837 1 29 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.201 0.001 17668 10838 1 29 . 1 1 28 28 LEU C C 33 176.412 176.412 176.899 -0.487 17668 10839 1 29 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.353 -1.105 17668 10840 1 29 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.088 -0.349 17668 10841 1 29 . 1 1 28 28 LEU H H 33 7.501 7.501 7.522 -0.021 17668 10842 1 29 . 1 1 29 29 LYS N N 34 127.383 127.383 121.754 5.629 17668 10843 1 29 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.422 -0.548 17668 10844 1 29 . 1 1 29 29 LYS C C 34 176.412 176.412 176.708 -0.296 17668 10845 1 29 . 1 1 29 29 LYS CA C 34 58.242 58.242 55.587 2.655 17668 10846 1 29 . 1 1 29 29 LYS CB C 34 31.746 31.746 33.604 -1.858 17668 10847 1 29 . 1 1 29 29 LYS H H 34 8.341 8.341 8.081 0.260 17668 10848 1 29 . 1 1 30 30 GLY N N 35 111.524 111.524 107.684 3.840 17668 10849 1 29 . 1 1 30 30 GLY C C 35 175.715 175.715 173.312 2.403 17668 10850 1 29 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.732 -0.244 17668 10851 1 29 . 1 1 30 30 GLY H H 35 8.509 8.509 8.627 -0.118 17668 10852 1 29 . 1 1 31 31 VAL N N 36 122.461 122.461 117.957 4.504 17668 10853 1 29 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.439 -0.565 17668 10854 1 29 . 1 1 31 31 VAL C C 36 175.032 175.032 174.605 0.427 17668 10855 1 29 . 1 1 31 31 VAL CA C 36 63.757 63.757 61.029 2.728 17668 10856 1 29 . 1 1 31 31 VAL CB C 36 31.250 31.250 34.429 -3.179 17668 10857 1 29 . 1 1 31 31 VAL H H 36 7.892 7.892 7.527 0.365 17668 10858 1 29 . 1 1 32 32 ALA N N 37 131.758 131.758 130.195 1.563 17668 10859 1 29 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.724 -0.359 17668 10860 1 29 . 1 1 32 32 ALA C C 37 177.619 177.619 176.995 0.624 17668 10861 1 29 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.490 0.756 17668 10862 1 29 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.480 -0.758 17668 10863 1 29 . 1 1 32 32 ALA H H 37 9.042 9.042 9.071 -0.029 17668 10864 1 29 . 1 1 33 33 GLU N N 38 114.258 114.258 116.980 -2.722 17668 10865 1 29 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.648 -0.147 17668 10866 1 29 . 1 1 33 33 GLU C C 38 173.651 173.651 174.069 -0.418 17668 10867 1 29 . 1 1 33 33 GLU CA C 38 55.577 55.577 55.938 -0.361 17668 10868 1 29 . 1 1 33 33 GLU CB C 38 33.666 33.666 33.984 -0.318 17668 10869 1 29 . 1 1 33 33 GLU H H 38 7.555 7.555 7.829 -0.274 17668 10870 1 29 . 1 1 34 34 ALA N N 39 125.742 125.742 124.493 1.249 17668 10871 1 29 . 1 1 34 34 ALA HA H 39 5.101 5.101 4.848 0.253 17668 10872 1 29 . 1 1 34 34 ALA C C 39 175.033 175.033 175.777 -0.744 17668 10873 1 29 . 1 1 34 34 ALA CA C 39 51.280 51.280 52.102 -0.822 17668 10874 1 29 . 1 1 34 34 ALA CB C 39 23.237 23.237 21.790 1.447 17668 10875 1 29 . 1 1 34 34 ALA H H 39 9.014 9.014 8.519 0.495 17668 10876 1 29 . 1 1 35 35 SER N N 40 113.711 113.711 117.004 -3.293 17668 10877 1 29 . 1 1 35 35 SER HA H 40 4.855 4.855 4.945 -0.090 17668 10878 1 29 . 1 1 35 35 SER C C 40 173.824 173.824 173.654 0.170 17668 10879 1 29 . 1 1 35 35 SER CA C 40 56.254 56.254 58.057 -1.803 17668 10880 1 29 . 1 1 35 35 SER CB C 40 65.255 65.255 66.154 -0.899 17668 10881 1 29 . 1 1 35 35 SER H H 40 8.481 8.481 8.823 -0.342 17668 10882 1 29 . 1 1 36 36 VAL N N 41 129.570 129.570 124.864 4.706 17668 10883 1 29 . 1 1 36 36 VAL C C 41 175.204 175.204 176.549 -1.345 17668 10884 1 29 . 1 1 36 36 VAL CA C 41 60.265 60.265 62.471 -2.206 17668 10885 1 29 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.192 1.551 17668 10886 1 29 . 1 1 36 36 VAL H H 41 10.164 10.164 9.509 0.655 17668 10887 1 29 . 1 1 37 37 THR N N 42 123.008 123.008 123.496 -0.488 17668 10888 1 29 . 1 1 37 37 THR HA H 42 4.392 4.392 4.625 -0.233 17668 10889 1 29 . 1 1 37 37 THR C C 42 175.030 175.030 174.668 0.362 17668 10890 1 29 . 1 1 37 37 THR CA C 42 60.760 60.760 61.309 -0.549 17668 10891 1 29 . 1 1 37 37 THR CB C 42 69.255 69.255 69.111 0.144 17668 10892 1 29 . 1 1 37 37 THR H H 42 8.453 8.453 8.790 -0.337 17668 10893 1 29 . 1 1 38 38 VAL N N 43 128.476 128.476 126.612 1.864 17668 10894 1 29 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.592 -0.290 17668 10895 1 29 . 1 1 38 38 VAL C C 43 176.067 176.067 177.166 -1.099 17668 10896 1 29 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.746 -2.478 17668 10897 1 29 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.569 0.658 17668 10898 1 29 . 1 1 38 38 VAL H H 43 8.789 8.789 8.641 0.148 17668 10899 1 29 . 1 1 39 39 ALA N N 44 119.180 119.180 120.456 -1.276 17668 10900 1 29 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.194 -0.210 17668 10901 1 29 . 1 1 39 39 ALA C C 44 179.167 179.167 178.446 0.721 17668 10902 1 29 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.564 0.661 17668 10903 1 29 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.526 0.469 17668 10904 1 29 . 1 1 39 39 ALA H H 44 8.509 8.509 8.439 0.070 17668 10905 1 29 . 1 1 40 40 THR N N 45 135.586 135.586 106.160 29.426 17668 10906 1 29 . 1 1 40 40 THR HA H 45 4.338 4.338 4.424 -0.086 17668 10907 1 29 . 1 1 40 40 THR C C 45 176.237 176.237 175.088 1.149 17668 10908 1 29 . 1 1 40 40 THR CA C 45 60.254 60.254 61.520 -1.266 17668 10909 1 29 . 1 1 40 40 THR CB C 45 70.261 70.261 71.014 -0.753 17668 10910 1 29 . 1 1 40 40 THR H H 45 6.713 6.713 7.505 -0.792 17668 10911 1 29 . 1 1 41 41 GLY N N 46 110.977 110.977 111.590 -0.613 17668 10912 1 29 . 1 1 41 41 GLY C C 46 172.096 172.096 173.224 -1.128 17668 10913 1 29 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.585 0.640 17668 10914 1 29 . 1 1 41 41 GLY H H 46 7.835 7.835 8.330 -0.495 17668 10915 1 29 . 1 1 42 42 ARG N N 47 118.086 118.086 118.309 -0.223 17668 10916 1 29 . 1 1 42 42 ARG C C 47 175.032 175.032 174.204 0.828 17668 10917 1 29 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.042 2.208 17668 10918 1 29 . 1 1 42 42 ARG CB C 47 31.739 31.739 34.723 -2.984 17668 10919 1 29 . 1 1 42 42 ARG H H 47 7.303 7.303 7.970 -0.667 17668 10920 1 29 . 1 1 43 43 LEU N N 48 129.023 129.023 118.497 10.526 17668 10921 1 29 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.034 -0.015 17668 10922 1 29 . 1 1 43 43 LEU C C 48 175.033 175.033 174.740 0.293 17668 10923 1 29 . 1 1 43 43 LEU CA C 48 53.250 53.250 54.113 -0.863 17668 10924 1 29 . 1 1 43 43 LEU CB C 48 45.081 45.081 47.206 -2.126 17668 10925 1 29 . 1 1 43 43 LEU H H 48 8.986 8.986 8.800 0.186 17668 10926 1 29 . 1 1 44 44 THR N N 49 123.008 123.008 118.667 4.341 17668 10927 1 29 . 1 1 44 44 THR HA H 49 4.964 4.964 5.458 -0.494 17668 10928 1 29 . 1 1 44 44 THR C C 49 173.475 173.475 172.867 0.608 17668 10929 1 29 . 1 1 44 44 THR CA C 49 61.752 61.752 61.536 0.216 17668 10930 1 29 . 1 1 44 44 THR CB C 49 69.756 69.756 71.173 -1.417 17668 10931 1 29 . 1 1 44 44 THR H H 49 9.154 9.154 8.515 0.639 17668 10932 1 29 . 1 1 45 45 VAL N N 50 125.195 125.195 125.686 -0.491 17668 10933 1 29 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.748 0.434 17668 10934 1 29 . 1 1 45 45 VAL C C 50 172.614 172.614 173.083 -0.469 17668 10935 1 29 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.476 -1.714 17668 10936 1 29 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.562 -0.110 17668 10937 1 29 . 1 1 45 45 VAL H H 50 9.071 9.071 9.251 -0.179 17668 10938 1 29 . 1 1 46 46 THR N N 51 124.648 124.648 123.391 1.257 17668 10939 1 29 . 1 1 46 46 THR HA H 51 5.782 5.782 5.282 0.500 17668 10940 1 29 . 1 1 46 46 THR C C 51 174.684 174.684 173.306 1.378 17668 10941 1 29 . 1 1 46 46 THR CA C 51 61.248 61.248 61.245 0.004 17668 10942 1 29 . 1 1 46 46 THR CB C 51 70.265 70.265 70.776 -0.511 17668 10943 1 29 . 1 1 46 46 THR H H 51 8.930 8.930 9.103 -0.173 17668 10944 1 29 . 1 1 47 47 TYR N N 52 124.648 124.648 122.437 2.211 17668 10945 1 29 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.314 -0.023 17668 10946 1 29 . 1 1 47 47 TYR C C 52 171.408 171.408 172.894 -1.486 17668 10947 1 29 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.333 -0.088 17668 10948 1 29 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.369 0.385 17668 10949 1 29 . 1 1 47 47 TYR H H 52 9.603 9.603 8.655 0.948 17668 10950 1 29 . 1 1 48 48 ASP N N 53 119.180 119.180 119.306 -0.126 17668 10951 1 29 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.089 -0.124 17668 10952 1 29 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.931 -0.922 17668 10953 1 29 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.202 -0.644 17668 10954 1 29 . 1 1 48 48 ASP H H 53 8.481 8.481 8.680 -0.199 17668 10955 1 29 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.760 0.613 17668 10956 1 29 . 1 1 49 49 PRO C C 54 178.311 178.311 176.734 1.577 17668 10957 1 29 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.917 -0.654 17668 10958 1 29 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.854 0.389 17668 10959 1 29 . 1 1 50 50 LYS N N 55 116.992 116.992 119.074 -2.082 17668 10960 1 29 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.361 -0.241 17668 10961 1 29 . 1 1 50 50 LYS C C 55 177.802 177.802 178.055 -0.253 17668 10962 1 29 . 1 1 50 50 LYS CA C 55 57.726 57.726 57.590 0.136 17668 10963 1 29 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.897 -2.032 17668 10964 1 29 . 1 1 50 50 LYS H H 55 8.284 8.284 7.903 0.381 17668 10965 1 29 . 1 1 51 51 GLN N N 56 115.352 115.352 117.224 -1.872 17668 10966 1 29 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.380 -0.069 17668 10967 1 29 . 1 1 51 51 GLN C C 56 175.031 175.031 176.060 -1.029 17668 10968 1 29 . 1 1 51 51 GLN CA C 56 56.756 56.756 57.324 -0.568 17668 10969 1 29 . 1 1 51 51 GLN CB C 56 33.752 33.752 31.031 2.721 17668 10970 1 29 . 1 1 51 51 GLN H H 56 7.864 7.864 8.810 -0.946 17668 10971 1 29 . 1 1 52 52 VAL N N 57 120.273 120.273 112.987 7.286 17668 10972 1 29 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.760 -0.367 17668 10973 1 29 . 1 1 52 52 VAL C C 57 170.718 170.718 174.090 -3.372 17668 10974 1 29 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.400 0.372 17668 10975 1 29 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.912 -0.684 17668 10976 1 29 . 1 1 52 52 VAL H H 57 8.172 8.172 7.823 0.349 17668 10977 1 29 . 1 1 53 53 SER N N 58 116.992 116.992 114.357 2.635 17668 10978 1 29 . 1 1 53 53 SER C C 58 175.377 175.377 174.596 0.781 17668 10979 1 29 . 1 1 53 53 SER CA C 58 55.251 55.251 58.101 -2.850 17668 10980 1 29 . 1 1 53 53 SER CB C 58 66.750 66.750 64.410 2.340 17668 10981 1 29 . 1 1 53 53 SER H H 58 7.611 7.611 7.810 -0.199 17668 10982 1 29 . 1 1 54 54 GLU N N 59 120.820 120.820 121.838 -1.018 17668 10983 1 29 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.823 -0.465 17668 10984 1 29 . 1 1 54 54 GLU C C 59 178.308 178.308 177.861 0.447 17668 10985 1 29 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.837 0.906 17668 10986 1 29 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.658 0.582 17668 10987 1 29 . 1 1 54 54 GLU H H 59 8.930 8.930 8.717 0.213 17668 10988 1 29 . 1 1 55 55 ILE N N 60 118.086 118.086 120.320 -2.234 17668 10989 1 29 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.766 -0.028 17668 10990 1 29 . 1 1 55 55 ILE C C 60 177.448 177.448 177.948 -0.500 17668 10991 1 29 . 1 1 55 55 ILE CA C 60 63.749 63.749 62.595 1.154 17668 10992 1 29 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.333 1.182 17668 10993 1 29 . 1 1 55 55 ILE H H 60 7.583 7.583 7.372 0.211 17668 10994 1 29 . 1 1 56 56 THR N N 61 119.727 119.727 115.491 4.236 17668 10995 1 29 . 1 1 56 56 THR HA H 61 3.766 3.766 3.959 -0.193 17668 10996 1 29 . 1 1 56 56 THR C C 61 177.104 177.104 175.423 1.681 17668 10997 1 29 . 1 1 56 56 THR CA C 61 66.264 66.264 66.729 -0.465 17668 10998 1 29 . 1 1 56 56 THR CB C 61 68.245 68.245 68.694 -0.449 17668 10999 1 29 . 1 1 56 56 THR H H 61 7.471 7.471 7.914 -0.443 17668 11000 1 29 . 1 1 57 57 ILE N N 62 121.367 121.367 120.308 1.059 17668 11001 1 29 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.273 -1.242 17668 11002 1 29 . 1 1 57 57 ILE C C 62 176.756 176.756 176.196 0.560 17668 11003 1 29 . 1 1 57 57 ILE CA C 62 65.760 65.760 61.546 4.214 17668 11004 1 29 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.896 -0.645 17668 11005 1 29 . 1 1 57 57 ILE H H 62 7.259 7.259 7.837 -0.578 17668 11006 1 29 . 1 1 58 58 GLN N N 63 117.539 117.539 121.213 -3.674 17668 11007 1 29 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.929 -0.327 17668 11008 1 29 . 1 1 58 58 GLN C C 63 179.172 179.172 177.906 1.266 17668 11009 1 29 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.446 0.309 17668 11010 1 29 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.095 -0.361 17668 11011 1 29 . 1 1 58 58 GLN H H 63 7.976 7.976 8.691 -0.715 17668 11012 1 29 . 1 1 59 59 GLU N N 64 119.180 119.180 118.120 1.060 17668 11013 1 29 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.050 -0.176 17668 11014 1 29 . 1 1 59 59 GLU C C 64 179.866 179.866 179.350 0.516 17668 11015 1 29 . 1 1 59 59 GLU CA C 64 59.259 59.259 59.056 0.203 17668 11016 1 29 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.003 0.698 17668 11017 1 29 . 1 1 59 59 GLU H H 64 8.622 8.622 7.733 0.889 17668 11018 1 29 . 1 1 60 60 ARG N N 65 119.727 119.727 119.636 0.091 17668 11019 1 29 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.233 -0.140 17668 11020 1 29 . 1 1 60 60 ARG C C 65 178.310 178.310 178.693 -0.383 17668 11021 1 29 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.817 -1.561 17668 11022 1 29 . 1 1 60 60 ARG CB C 65 28.748 28.748 30.211 -1.463 17668 11023 1 29 . 1 1 60 60 ARG H H 65 7.891 7.891 8.030 -0.139 17668 11024 1 29 . 1 1 61 61 ILE N N 66 118.086 118.086 119.427 -1.341 17668 11025 1 29 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.926 -0.379 17668 11026 1 29 . 1 1 61 61 ILE C C 66 178.311 178.311 177.223 1.088 17668 11027 1 29 . 1 1 61 61 ILE CA C 66 64.745 64.745 64.735 0.010 17668 11028 1 29 . 1 1 61 61 ILE CB C 66 37.681 37.681 38.455 -0.774 17668 11029 1 29 . 1 1 61 61 ILE H H 66 7.443 7.443 7.901 -0.458 17668 11030 1 29 . 1 1 62 62 ALA N N 67 121.914 121.914 122.662 -0.748 17668 11031 1 29 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.492 0.037 17668 11032 1 29 . 1 1 62 62 ALA C C 67 182.626 182.626 180.226 2.400 17668 11033 1 29 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.773 -0.523 17668 11034 1 29 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.404 -0.669 17668 11035 1 29 . 1 1 62 62 ALA H H 67 8.116 8.116 8.459 -0.343 17668 11036 1 29 . 1 1 63 63 ALA N N 68 121.367 121.367 120.676 0.691 17668 11037 1 29 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.189 -0.177 17668 11038 1 29 . 1 1 63 63 ALA C C 68 179.690 179.690 178.979 0.711 17668 11039 1 29 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.239 0.021 17668 11040 1 29 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.465 -0.244 17668 11041 1 29 . 1 1 63 63 ALA H H 68 7.948 7.948 7.719 0.229 17668 11042 1 29 . 1 1 64 64 LEU N N 69 116.445 116.445 116.674 -0.229 17668 11043 1 29 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.290 -0.143 17668 11044 1 29 . 1 1 64 64 LEU C C 69 176.931 176.931 177.493 -0.562 17668 11045 1 29 . 1 1 64 64 LEU CA C 69 55.245 55.245 54.877 0.368 17668 11046 1 29 . 1 1 64 64 LEU CB C 69 43.241 43.241 42.066 1.175 17668 11047 1 29 . 1 1 64 64 LEU H H 69 7.247 7.247 7.754 -0.507 17668 11048 1 29 . 1 1 65 65 GLY N N 70 103.867 103.867 104.330 -0.463 17668 11049 1 29 . 1 1 65 65 GLY C C 70 173.651 173.651 173.826 -0.175 17668 11050 1 29 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.324 0.148 17668 11051 1 29 . 1 1 65 65 GLY H H 70 7.668 7.668 7.590 0.078 17668 11052 1 29 . 1 1 66 66 TYR N N 71 119.180 119.180 119.357 -0.177 17668 11053 1 29 . 1 1 66 66 TYR C C 71 174.513 174.513 175.254 -0.741 17668 11054 1 29 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.537 0.483 17668 11055 1 29 . 1 1 66 66 TYR CB C 71 39.502 39.502 41.482 -1.980 17668 11056 1 29 . 1 1 66 66 TYR H H 71 6.798 6.798 7.885 -1.087 17668 11057 1 29 . 1 1 67 67 THR N N 72 109.883 109.883 112.054 -2.171 17668 11058 1 29 . 1 1 67 67 THR C C 72 173.998 173.998 173.355 0.643 17668 11059 1 29 . 1 1 67 67 THR CA C 72 60.249 60.249 60.834 -0.585 17668 11060 1 29 . 1 1 67 67 THR CB C 72 71.254 71.254 70.917 0.337 17668 11061 1 29 . 1 1 67 67 THR H H 72 8.144 8.144 8.273 -0.129 17668 11062 1 29 . 1 1 68 68 LEU N N 73 122.461 122.461 116.304 6.157 17668 11063 1 29 . 1 1 68 68 LEU HA H 73 5.046 5.046 4.945 0.101 17668 11064 1 29 . 1 1 68 68 LEU C C 73 174.168 174.168 175.470 -1.302 17668 11065 1 29 . 1 1 68 68 LEU CA C 73 53.252 53.252 54.006 -0.754 17668 11066 1 29 . 1 1 68 68 LEU CB C 73 43.743 43.743 45.799 -2.056 17668 11067 1 29 . 1 1 68 68 LEU H H 73 8.397 8.397 8.373 0.024 17668 11068 1 29 . 1 1 69 69 ALA N N 74 125.195 125.195 122.794 2.401 17668 11069 1 29 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.640 -0.302 17668 11070 1 29 . 1 1 69 69 ALA C C 74 176.931 176.931 176.500 0.431 17668 11071 1 29 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.633 3.621 17668 11072 1 29 . 1 1 69 69 ALA CB C 74 18.225 18.225 19.498 -1.274 17668 11073 1 29 . 1 1 69 69 ALA H H 74 8.200 8.200 8.522 -0.322 17668 11074 1 29 . 1 1 70 70 GLU N N 75 120.820 120.820 121.971 -1.151 17668 11075 1 29 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.558 -0.084 17668 11076 1 29 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.910 1.548 17668 11077 1 29 . 1 1 70 70 GLU CB C 75 29.591 29.591 30.007 -0.416 17668 11078 1 29 . 1 1 70 70 GLU H H 75 8.397 8.397 8.257 0.140 17668 11079 1 30 . 1 1 2 2 LEU N N 7 119.727 119.727 114.351 5.376 17668 11080 1 30 . 1 1 2 2 LEU HA H 7 4.338 4.338 5.107 -0.769 17668 11081 1 30 . 1 1 2 2 LEU C C 7 176.410 176.410 174.979 1.431 17668 11082 1 30 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.314 -0.304 17668 11083 1 30 . 1 1 2 2 LEU CB C 7 43.226 43.226 45.727 -2.501 17668 11084 1 30 . 1 1 2 2 LEU H H 7 7.919 7.919 8.319 -0.400 17668 11085 1 30 . 1 1 3 3 LYS N N 8 123.008 123.008 118.287 4.721 17668 11086 1 30 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.620 -0.255 17668 11087 1 30 . 1 1 3 3 LYS C C 8 174.512 174.512 174.648 -0.136 17668 11088 1 30 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.975 -0.234 17668 11089 1 30 . 1 1 3 3 LYS CB C 8 35.723 35.723 36.102 -0.379 17668 11090 1 30 . 1 1 3 3 LYS H H 8 8.650 8.650 8.607 0.043 17668 11091 1 30 . 1 1 4 4 THR N N 9 120.273 120.273 116.173 4.100 17668 11092 1 30 . 1 1 4 4 THR HA H 9 5.372 5.372 4.556 0.816 17668 11093 1 30 . 1 1 4 4 THR C C 9 174.170 174.170 174.416 -0.246 17668 11094 1 30 . 1 1 4 4 THR CA C 9 61.756 61.756 62.415 -0.659 17668 11095 1 30 . 1 1 4 4 THR CB C 9 70.757 70.757 69.430 1.327 17668 11096 1 30 . 1 1 4 4 THR H H 9 8.481 8.481 8.286 0.195 17668 11097 1 30 . 1 1 5 5 GLN N N 10 126.836 126.836 121.924 4.912 17668 11098 1 30 . 1 1 5 5 GLN C C 10 173.651 173.651 173.409 0.242 17668 11099 1 30 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.693 -1.457 17668 11100 1 30 . 1 1 5 5 GLN CB C 10 34.484 34.484 31.637 2.847 17668 11101 1 30 . 1 1 5 5 GLN H H 10 9.295 9.295 8.338 0.957 17668 11102 1 30 . 1 1 6 6 GLN N N 11 121.367 121.367 126.588 -5.221 17668 11103 1 30 . 1 1 6 6 GLN HA H 11 5.646 5.646 4.894 0.752 17668 11104 1 30 . 1 1 6 6 GLN C C 11 176.069 176.069 174.631 1.438 17668 11105 1 30 . 1 1 6 6 GLN CA C 11 53.760 53.760 55.421 -1.661 17668 11106 1 30 . 1 1 6 6 GLN CB C 11 31.237 31.237 30.314 0.923 17668 11107 1 30 . 1 1 6 6 GLN H H 11 8.425 8.425 8.623 -0.198 17668 11108 1 30 . 1 1 7 7 MET N N 12 120.273 120.273 127.008 -6.735 17668 11109 1 30 . 1 1 7 7 MET C C 12 173.824 173.824 174.001 -0.177 17668 11110 1 30 . 1 1 7 7 MET CA C 12 54.598 54.598 54.548 0.050 17668 11111 1 30 . 1 1 7 7 MET CB C 12 37.258 37.258 36.682 0.576 17668 11112 1 30 . 1 1 7 7 MET H H 12 9.294 9.294 8.944 0.350 17668 11113 1 30 . 1 1 8 8 GLN N N 13 122.461 122.461 124.729 -2.268 17668 11114 1 30 . 1 1 8 8 GLN C C 13 174.863 174.863 174.174 0.689 17668 11115 1 30 . 1 1 8 8 GLN CA C 13 54.753 54.753 54.676 0.077 17668 11116 1 30 . 1 1 8 8 GLN CB C 13 30.243 30.243 30.494 -0.251 17668 11117 1 30 . 1 1 8 8 GLN H H 13 8.790 8.790 8.785 0.005 17668 11118 1 30 . 1 1 9 9 VAL N N 14 126.289 126.289 121.576 4.713 17668 11119 1 30 . 1 1 9 9 VAL C C 14 176.586 176.586 175.364 1.222 17668 11120 1 30 . 1 1 9 9 VAL CA C 14 61.255 61.255 61.352 -0.097 17668 11121 1 30 . 1 1 9 9 VAL CB C 14 33.467 33.467 36.345 -2.878 17668 11122 1 30 . 1 1 9 9 VAL H H 14 8.930 8.930 8.503 0.427 17668 11123 1 30 . 1 1 10 10 GLY N N 15 117.539 117.539 112.060 5.479 17668 11124 1 30 . 1 1 10 10 GLY C C 15 173.997 173.997 173.948 0.049 17668 11125 1 30 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.247 -0.002 17668 11126 1 30 . 1 1 10 10 GLY H H 15 9.351 9.351 8.648 0.703 17668 11127 1 30 . 1 1 11 11 GLY N N 16 107.149 107.149 112.846 -5.697 17668 11128 1 30 . 1 1 11 11 GLY C C 16 176.067 176.067 175.007 1.060 17668 11129 1 30 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.072 0.184 17668 11130 1 30 . 1 1 11 11 GLY H H 16 8.284 8.284 8.323 -0.039 17668 11131 1 30 . 1 1 12 12 MET N N 17 118.633 118.633 118.260 0.373 17668 11132 1 30 . 1 1 12 12 MET C C 17 177.102 177.102 176.657 0.445 17668 11133 1 30 . 1 1 12 12 MET CA C 17 57.740 57.740 57.397 0.343 17668 11134 1 30 . 1 1 12 12 MET CB C 17 34.243 34.243 32.331 1.912 17668 11135 1 30 . 1 1 12 12 MET H H 17 8.509 8.509 8.159 0.350 17668 11136 1 30 . 1 1 13 13 ARG N N 18 126.836 126.836 116.076 10.760 17668 11137 1 30 . 1 1 13 13 ARG C C 18 175.032 175.032 176.528 -1.496 17668 11138 1 30 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.503 0.736 17668 11139 1 30 . 1 1 13 13 ARG CB C 18 32.744 32.744 29.760 2.984 17668 11140 1 30 . 1 1 13 13 ARG H H 18 10.782 10.782 7.997 2.785 17668 11141 1 30 . 1 1 14 14 CYS N N 19 114.805 114.805 119.014 -4.209 17668 11142 1 30 . 1 1 14 14 CYS CA C 19 56.217 56.217 61.001 -4.784 17668 11143 1 30 . 1 1 14 14 CYS CB C 19 30.413 30.413 28.140 2.273 17668 11144 1 30 . 1 1 14 14 CYS H H 19 8.425 8.425 7.718 0.707 17668 11145 1 30 . 1 1 15 15 ALA CA C 20 51.257 51.257 51.536 -0.279 17668 11146 1 30 . 1 1 15 15 ALA CB C 20 19.247 19.247 20.691 -1.444 17668 11147 1 30 . 1 1 16 16 ALA N N 21 118.906 118.906 123.791 -4.885 17668 11148 1 30 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.338 -0.191 17668 11149 1 30 . 1 1 16 16 ALA C C 21 180.553 180.553 176.982 3.571 17668 11150 1 30 . 1 1 16 16 ALA CA C 21 54.756 54.756 52.882 1.874 17668 11151 1 30 . 1 1 16 16 ALA CB C 21 18.233 18.233 17.475 0.758 17668 11152 1 30 . 1 1 17 17 CYS N N 22 121.914 121.914 120.899 1.015 17668 11153 1 30 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.682 -0.861 17668 11154 1 30 . 1 1 17 17 CYS C C 22 177.966 177.966 175.592 2.374 17668 11155 1 30 . 1 1 17 17 CYS CA C 22 64.748 64.748 58.604 6.144 17668 11156 1 30 . 1 1 17 17 CYS CB C 22 29.245 29.245 29.417 -0.172 17668 11157 1 30 . 1 1 17 17 CYS H H 22 7.640 7.640 8.200 -0.560 17668 11158 1 30 . 1 1 18 18 ALA N N 23 119.180 119.180 125.013 -5.833 17668 11159 1 30 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.984 -0.381 17668 11160 1 30 . 1 1 18 18 ALA C C 23 179.173 179.173 178.294 0.879 17668 11161 1 30 . 1 1 18 18 ALA CA C 23 55.258 55.258 55.184 0.074 17668 11162 1 30 . 1 1 18 18 ALA CB C 23 18.741 18.741 17.791 0.950 17668 11163 1 30 . 1 1 18 18 ALA H H 23 6.629 6.629 8.829 -2.200 17668 11164 1 30 . 1 1 19 19 SER N N 24 112.618 112.618 113.246 -0.628 17668 11165 1 30 . 1 1 19 19 SER HA H 24 4.147 4.147 4.253 -0.106 17668 11166 1 30 . 1 1 19 19 SER C C 24 176.764 176.764 176.749 0.015 17668 11167 1 30 . 1 1 19 19 SER CA C 24 61.259 61.259 61.480 -0.221 17668 11168 1 30 . 1 1 19 19 SER CB C 24 62.754 62.754 62.490 0.264 17668 11169 1 30 . 1 1 19 19 SER H H 24 7.752 7.752 8.563 -0.811 17668 11170 1 30 . 1 1 20 20 SER N N 25 116.992 116.992 119.154 -2.162 17668 11171 1 30 . 1 1 20 20 SER HA H 25 3.521 3.521 4.259 -0.738 17668 11172 1 30 . 1 1 20 20 SER C C 25 177.448 177.448 176.105 1.343 17668 11173 1 30 . 1 1 20 20 SER CA C 25 61.870 61.870 61.263 0.607 17668 11174 1 30 . 1 1 20 20 SER CB C 25 62.751 62.751 62.903 -0.152 17668 11175 1 30 . 1 1 20 20 SER H H 25 7.989 7.989 7.809 0.180 17668 11176 1 30 . 1 1 21 21 ILE N N 26 122.461 122.461 123.666 -1.205 17668 11177 1 30 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.782 -0.452 17668 11178 1 30 . 1 1 21 21 ILE C C 26 176.930 176.930 177.305 -0.375 17668 11179 1 30 . 1 1 21 21 ILE CA C 26 66.255 66.255 65.265 0.990 17668 11180 1 30 . 1 1 21 21 ILE CB C 26 38.237 38.237 38.187 0.050 17668 11181 1 30 . 1 1 21 21 ILE H H 26 7.583 7.583 7.531 0.052 17668 11182 1 30 . 1 1 22 22 GLU N N 27 116.992 116.992 118.673 -1.681 17668 11183 1 30 . 1 1 22 22 GLU HA H 27 3.466 3.466 4.066 -0.600 17668 11184 1 30 . 1 1 22 22 GLU C C 27 178.916 178.916 178.582 0.334 17668 11185 1 30 . 1 1 22 22 GLU CA C 27 60.753 60.753 58.720 2.033 17668 11186 1 30 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.520 0.187 17668 11187 1 30 . 1 1 22 22 GLU H H 27 8.004 8.004 8.241 -0.237 17668 11188 1 30 . 1 1 23 23 ARG N N 28 114.805 114.805 118.095 -3.290 17668 11189 1 30 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.244 -0.288 17668 11190 1 30 . 1 1 23 23 ARG C C 28 179.517 179.517 176.744 2.773 17668 11191 1 30 . 1 1 23 23 ARG CA C 28 58.752 58.752 57.449 1.303 17668 11192 1 30 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.572 0.174 17668 11193 1 30 . 1 1 23 23 ARG H H 28 8.256 8.256 8.089 0.167 17668 11194 1 30 . 1 1 24 24 ALA N N 29 118.633 118.633 122.150 -3.517 17668 11195 1 30 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.416 -0.459 17668 11196 1 30 . 1 1 24 24 ALA C C 29 181.073 181.073 178.259 2.814 17668 11197 1 30 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.328 1.421 17668 11198 1 30 . 1 1 24 24 ALA CB C 29 18.729 18.729 19.840 -1.111 17668 11199 1 30 . 1 1 24 24 ALA H H 29 7.555 7.555 7.879 -0.324 17668 11200 1 30 . 1 1 25 25 LEU N N 30 115.899 115.899 119.082 -3.183 17668 11201 1 30 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.115 -0.131 17668 11202 1 30 . 1 1 25 25 LEU C C 30 178.658 178.658 177.221 1.437 17668 11203 1 30 . 1 1 25 25 LEU CA C 30 57.221 57.221 56.801 0.420 17668 11204 1 30 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.721 -0.473 17668 11205 1 30 . 1 1 25 25 LEU H H 30 7.976 7.976 8.196 -0.220 17668 11206 1 30 . 1 1 26 26 GLU N N 31 115.899 115.899 115.260 0.639 17668 11207 1 30 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.382 -0.644 17668 11208 1 30 . 1 1 26 26 GLU C C 31 177.793 177.793 177.151 0.642 17668 11209 1 30 . 1 1 26 26 GLU CA C 31 58.727 58.727 56.797 1.930 17668 11210 1 30 . 1 1 26 26 GLU CB C 31 29.241 29.241 30.424 -1.183 17668 11211 1 30 . 1 1 26 26 GLU H H 31 8.116 8.116 8.320 -0.204 17668 11212 1 30 . 1 1 27 27 ARG N N 32 114.258 114.258 119.162 -4.904 17668 11213 1 30 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.151 -0.004 17668 11214 1 30 . 1 1 27 27 ARG C C 32 176.757 176.757 177.385 -0.628 17668 11215 1 30 . 1 1 27 27 ARG CA C 32 56.250 56.250 57.354 -1.104 17668 11216 1 30 . 1 1 27 27 ARG CB C 32 30.744 30.744 30.794 -0.050 17668 11217 1 30 . 1 1 27 27 ARG H H 32 6.854 6.854 7.758 -0.904 17668 11218 1 30 . 1 1 28 28 LEU N N 33 123.008 123.008 120.532 2.476 17668 11219 1 30 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.191 0.011 17668 11220 1 30 . 1 1 28 28 LEU C C 33 176.412 176.412 176.681 -0.269 17668 11221 1 30 . 1 1 28 28 LEU CA C 33 54.249 54.249 54.988 -0.739 17668 11222 1 30 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.266 -0.527 17668 11223 1 30 . 1 1 28 28 LEU H H 33 7.501 7.501 7.477 0.024 17668 11224 1 30 . 1 1 29 29 LYS N N 34 127.383 127.383 121.809 5.574 17668 11225 1 30 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.271 -0.397 17668 11226 1 30 . 1 1 29 29 LYS C C 34 176.412 176.412 178.232 -1.820 17668 11227 1 30 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.580 1.662 17668 11228 1 30 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.938 -1.192 17668 11229 1 30 . 1 1 29 29 LYS H H 34 8.341 8.341 8.428 -0.087 17668 11230 1 30 . 1 1 30 30 GLY N N 35 111.524 111.524 108.742 2.782 17668 11231 1 30 . 1 1 30 30 GLY C C 35 175.715 175.715 175.101 0.614 17668 11232 1 30 . 1 1 30 30 GLY CA C 35 45.488 45.488 46.161 -0.673 17668 11233 1 30 . 1 1 30 30 GLY H H 35 8.509 8.509 8.843 -0.334 17668 11234 1 30 . 1 1 31 31 VAL N N 36 122.461 122.461 118.137 4.324 17668 11235 1 30 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.140 -0.266 17668 11236 1 30 . 1 1 31 31 VAL C C 36 175.032 175.032 174.747 0.285 17668 11237 1 30 . 1 1 31 31 VAL CA C 36 63.757 63.757 63.176 0.581 17668 11238 1 30 . 1 1 31 31 VAL CB C 36 31.250 31.250 32.184 -0.934 17668 11239 1 30 . 1 1 31 31 VAL H H 36 7.892 7.892 7.784 0.108 17668 11240 1 30 . 1 1 32 32 ALA N N 37 131.758 131.758 127.729 4.029 17668 11241 1 30 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.647 -0.282 17668 11242 1 30 . 1 1 32 32 ALA C C 37 177.619 177.619 176.580 1.039 17668 11243 1 30 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.298 0.948 17668 11244 1 30 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.877 -1.155 17668 11245 1 30 . 1 1 32 32 ALA H H 37 9.042 9.042 8.890 0.152 17668 11246 1 30 . 1 1 33 33 GLU N N 38 114.258 114.258 119.236 -4.978 17668 11247 1 30 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.503 -0.002 17668 11248 1 30 . 1 1 33 33 GLU C C 38 173.651 173.651 173.949 -0.298 17668 11249 1 30 . 1 1 33 33 GLU CA C 38 55.577 55.577 57.162 -1.585 17668 11250 1 30 . 1 1 33 33 GLU CB C 38 33.666 33.666 31.751 1.915 17668 11251 1 30 . 1 1 33 33 GLU H H 38 7.555 7.555 7.701 -0.146 17668 11252 1 30 . 1 1 34 34 ALA N N 39 125.742 125.742 127.611 -1.869 17668 11253 1 30 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.209 -0.108 17668 11254 1 30 . 1 1 34 34 ALA C C 39 175.033 175.033 175.685 -0.652 17668 11255 1 30 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.248 0.032 17668 11256 1 30 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.189 1.048 17668 11257 1 30 . 1 1 34 34 ALA H H 39 9.014 9.014 8.525 0.489 17668 11258 1 30 . 1 1 35 35 SER N N 40 113.711 113.711 115.936 -2.225 17668 11259 1 30 . 1 1 35 35 SER HA H 40 4.855 4.855 4.930 -0.075 17668 11260 1 30 . 1 1 35 35 SER C C 40 173.824 173.824 173.634 0.190 17668 11261 1 30 . 1 1 35 35 SER CA C 40 56.254 56.254 58.196 -1.942 17668 11262 1 30 . 1 1 35 35 SER CB C 40 65.255 65.255 66.676 -1.421 17668 11263 1 30 . 1 1 35 35 SER H H 40 8.481 8.481 9.043 -0.562 17668 11264 1 30 . 1 1 36 36 VAL N N 41 129.570 129.570 126.297 3.273 17668 11265 1 30 . 1 1 36 36 VAL C C 41 175.204 175.204 176.428 -1.224 17668 11266 1 30 . 1 1 36 36 VAL CA C 41 60.265 60.265 62.530 -2.265 17668 11267 1 30 . 1 1 36 36 VAL CB C 41 33.743 33.743 31.979 1.764 17668 11268 1 30 . 1 1 36 36 VAL H H 41 10.164 10.164 9.579 0.585 17668 11269 1 30 . 1 1 37 37 THR N N 42 123.008 123.008 124.403 -1.395 17668 11270 1 30 . 1 1 37 37 THR HA H 42 4.392 4.392 4.593 -0.201 17668 11271 1 30 . 1 1 37 37 THR C C 42 175.030 175.030 174.955 0.075 17668 11272 1 30 . 1 1 37 37 THR CA C 42 60.760 60.760 61.404 -0.644 17668 11273 1 30 . 1 1 37 37 THR CB C 42 69.255 69.255 69.273 -0.018 17668 11274 1 30 . 1 1 37 37 THR H H 42 8.453 8.453 8.733 -0.280 17668 11275 1 30 . 1 1 38 38 VAL N N 43 128.476 128.476 127.918 0.558 17668 11276 1 30 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.676 -0.374 17668 11277 1 30 . 1 1 38 38 VAL C C 43 176.067 176.067 176.592 -0.525 17668 11278 1 30 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.144 -1.876 17668 11279 1 30 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.950 0.277 17668 11280 1 30 . 1 1 38 38 VAL H H 43 8.789 8.789 8.742 0.047 17668 11281 1 30 . 1 1 39 39 ALA N N 44 119.180 119.180 119.486 -0.306 17668 11282 1 30 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.156 -0.172 17668 11283 1 30 . 1 1 39 39 ALA C C 44 179.167 179.167 178.143 1.024 17668 11284 1 30 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.073 1.152 17668 11285 1 30 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.641 0.354 17668 11286 1 30 . 1 1 39 39 ALA H H 44 8.509 8.509 8.298 0.211 17668 11287 1 30 . 1 1 40 40 THR N N 45 135.586 135.586 107.792 27.794 17668 11288 1 30 . 1 1 40 40 THR HA H 45 4.338 4.338 4.399 -0.061 17668 11289 1 30 . 1 1 40 40 THR C C 45 176.237 176.237 175.545 0.692 17668 11290 1 30 . 1 1 40 40 THR CA C 45 60.254 60.254 61.994 -1.740 17668 11291 1 30 . 1 1 40 40 THR CB C 45 70.261 70.261 70.773 -0.512 17668 11292 1 30 . 1 1 40 40 THR H H 45 6.713 6.713 7.427 -0.714 17668 11293 1 30 . 1 1 41 41 GLY N N 46 110.977 110.977 112.405 -1.428 17668 11294 1 30 . 1 1 41 41 GLY C C 46 172.096 172.096 173.001 -0.905 17668 11295 1 30 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.288 0.937 17668 11296 1 30 . 1 1 41 41 GLY H H 46 7.835 7.835 8.544 -0.709 17668 11297 1 30 . 1 1 42 42 ARG N N 47 118.086 118.086 116.655 1.431 17668 11298 1 30 . 1 1 42 42 ARG C C 47 175.032 175.032 173.489 1.543 17668 11299 1 30 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.147 2.103 17668 11300 1 30 . 1 1 42 42 ARG CB C 47 31.739 31.739 33.494 -1.755 17668 11301 1 30 . 1 1 42 42 ARG H H 47 7.303 7.303 7.379 -0.076 17668 11302 1 30 . 1 1 43 43 LEU N N 48 129.023 129.023 120.417 8.606 17668 11303 1 30 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.156 -0.137 17668 11304 1 30 . 1 1 43 43 LEU C C 48 175.033 175.033 175.818 -0.785 17668 11305 1 30 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.517 -0.267 17668 11306 1 30 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.279 -1.198 17668 11307 1 30 . 1 1 43 43 LEU H H 48 8.986 8.986 8.748 0.238 17668 11308 1 30 . 1 1 44 44 THR N N 49 123.008 123.008 118.655 4.353 17668 11309 1 30 . 1 1 44 44 THR HA H 49 4.964 4.964 5.291 -0.327 17668 11310 1 30 . 1 1 44 44 THR C C 49 173.475 173.475 172.749 0.726 17668 11311 1 30 . 1 1 44 44 THR CA C 49 61.752 61.752 61.942 -0.190 17668 11312 1 30 . 1 1 44 44 THR CB C 49 69.756 69.756 70.891 -1.135 17668 11313 1 30 . 1 1 44 44 THR H H 49 9.154 9.154 8.496 0.658 17668 11314 1 30 . 1 1 45 45 VAL N N 50 125.195 125.195 126.388 -1.193 17668 11315 1 30 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.625 0.557 17668 11316 1 30 . 1 1 45 45 VAL C C 50 172.614 172.614 173.670 -1.056 17668 11317 1 30 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.144 -1.382 17668 11318 1 30 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.488 -0.036 17668 11319 1 30 . 1 1 45 45 VAL H H 50 9.071 9.071 9.239 -0.168 17668 11320 1 30 . 1 1 46 46 THR N N 51 124.648 124.648 125.240 -0.592 17668 11321 1 30 . 1 1 46 46 THR HA H 51 5.782 5.782 5.193 0.589 17668 11322 1 30 . 1 1 46 46 THR C C 51 174.684 174.684 173.762 0.922 17668 11323 1 30 . 1 1 46 46 THR CA C 51 61.248 61.248 61.871 -0.623 17668 11324 1 30 . 1 1 46 46 THR CB C 51 70.265 70.265 69.539 0.726 17668 11325 1 30 . 1 1 46 46 THR H H 51 8.930 8.930 8.702 0.228 17668 11326 1 30 . 1 1 47 47 TYR N N 52 124.648 124.648 122.905 1.743 17668 11327 1 30 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.001 0.290 17668 11328 1 30 . 1 1 47 47 TYR C C 52 171.408 171.408 172.913 -1.505 17668 11329 1 30 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.507 -0.262 17668 11330 1 30 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.206 0.548 17668 11331 1 30 . 1 1 47 47 TYR H H 52 9.603 9.603 8.481 1.122 17668 11332 1 30 . 1 1 48 48 ASP N N 53 119.180 119.180 122.038 -2.858 17668 11333 1 30 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.299 -0.334 17668 11334 1 30 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.382 -0.373 17668 11335 1 30 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.541 -0.983 17668 11336 1 30 . 1 1 48 48 ASP H H 53 8.481 8.481 8.267 0.214 17668 11337 1 30 . 1 1 49 49 PRO HA H 54 5.373 5.373 5.049 0.324 17668 11338 1 30 . 1 1 49 49 PRO C C 54 178.311 178.311 176.743 1.568 17668 11339 1 30 . 1 1 49 49 PRO CA C 54 63.263 63.263 64.063 -0.800 17668 11340 1 30 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.971 0.272 17668 11341 1 30 . 1 1 50 50 LYS N N 55 116.992 116.992 117.479 -0.487 17668 11342 1 30 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.540 -0.419 17668 11343 1 30 . 1 1 50 50 LYS C C 55 177.802 177.802 177.957 -0.155 17668 11344 1 30 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.579 1.147 17668 11345 1 30 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.048 -1.183 17668 11346 1 30 . 1 1 50 50 LYS H H 55 8.284 8.284 8.242 0.042 17668 11347 1 30 . 1 1 51 51 GLN N N 56 115.352 115.352 118.443 -3.091 17668 11348 1 30 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.298 0.013 17668 11349 1 30 . 1 1 51 51 GLN C C 56 175.031 175.031 176.751 -1.720 17668 11350 1 30 . 1 1 51 51 GLN CA C 56 56.756 56.756 57.941 -1.185 17668 11351 1 30 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.242 3.510 17668 11352 1 30 . 1 1 51 51 GLN H H 56 7.864 7.864 8.585 -0.721 17668 11353 1 30 . 1 1 52 52 VAL N N 57 120.273 120.273 112.866 7.407 17668 11354 1 30 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.491 -0.098 17668 11355 1 30 . 1 1 52 52 VAL C C 57 170.718 170.718 173.640 -2.922 17668 11356 1 30 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.694 0.077 17668 11357 1 30 . 1 1 52 52 VAL CB C 57 34.228 34.228 35.012 -0.784 17668 11358 1 30 . 1 1 52 52 VAL H H 57 8.172 8.172 8.140 0.032 17668 11359 1 30 . 1 1 53 53 SER N N 58 116.992 116.992 114.598 2.394 17668 11360 1 30 . 1 1 53 53 SER C C 58 175.377 175.377 175.463 -0.086 17668 11361 1 30 . 1 1 53 53 SER CA C 58 55.251 55.251 57.051 -1.800 17668 11362 1 30 . 1 1 53 53 SER CB C 58 66.750 66.750 66.401 0.349 17668 11363 1 30 . 1 1 53 53 SER H H 58 7.611 7.611 8.230 -0.619 17668 11364 1 30 . 1 1 54 54 GLU N N 59 120.820 120.820 121.438 -0.618 17668 11365 1 30 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.884 -0.526 17668 11366 1 30 . 1 1 54 54 GLU C C 59 178.308 178.308 178.081 0.227 17668 11367 1 30 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.713 1.030 17668 11368 1 30 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.738 0.501 17668 11369 1 30 . 1 1 54 54 GLU H H 59 8.930 8.930 8.809 0.121 17668 11370 1 30 . 1 1 55 55 ILE N N 60 118.086 118.086 120.587 -2.501 17668 11371 1 30 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.607 0.131 17668 11372 1 30 . 1 1 55 55 ILE C C 60 177.448 177.448 178.203 -0.755 17668 11373 1 30 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.584 -0.835 17668 11374 1 30 . 1 1 55 55 ILE CB C 60 37.515 37.515 37.702 -0.187 17668 11375 1 30 . 1 1 55 55 ILE H H 60 7.583 7.583 7.388 0.195 17668 11376 1 30 . 1 1 56 56 THR N N 61 119.727 119.727 113.963 5.764 17668 11377 1 30 . 1 1 56 56 THR HA H 61 3.766 3.766 4.100 -0.334 17668 11378 1 30 . 1 1 56 56 THR C C 61 177.104 177.104 175.822 1.282 17668 11379 1 30 . 1 1 56 56 THR CA C 61 66.264 66.264 66.632 -0.368 17668 11380 1 30 . 1 1 56 56 THR CB C 61 68.245 68.245 68.785 -0.540 17668 11381 1 30 . 1 1 56 56 THR H H 61 7.471 7.471 7.769 -0.298 17668 11382 1 30 . 1 1 57 57 ILE N N 62 121.367 121.367 121.519 -0.152 17668 11383 1 30 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.064 -1.033 17668 11384 1 30 . 1 1 57 57 ILE C C 62 176.756 176.756 176.359 0.397 17668 11385 1 30 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.069 3.691 17668 11386 1 30 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.037 0.214 17668 11387 1 30 . 1 1 57 57 ILE H H 62 7.259 7.259 7.464 -0.205 17668 11388 1 30 . 1 1 58 58 GLN N N 63 117.539 117.539 121.915 -4.376 17668 11389 1 30 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.784 -0.182 17668 11390 1 30 . 1 1 58 58 GLN C C 63 179.172 179.172 177.937 1.235 17668 11391 1 30 . 1 1 58 58 GLN CA C 63 59.755 59.755 60.137 -0.382 17668 11392 1 30 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.701 -0.967 17668 11393 1 30 . 1 1 58 58 GLN H H 63 7.976 7.976 8.818 -0.842 17668 11394 1 30 . 1 1 59 59 GLU N N 64 119.180 119.180 116.923 2.257 17668 11395 1 30 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.132 -0.258 17668 11396 1 30 . 1 1 59 59 GLU C C 64 179.866 179.866 177.656 2.210 17668 11397 1 30 . 1 1 59 59 GLU CA C 64 59.259 59.259 57.924 1.335 17668 11398 1 30 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.408 0.292 17668 11399 1 30 . 1 1 59 59 GLU H H 64 8.622 8.622 7.689 0.933 17668 11400 1 30 . 1 1 60 60 ARG N N 65 119.727 119.727 119.694 0.033 17668 11401 1 30 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.418 -0.325 17668 11402 1 30 . 1 1 60 60 ARG C C 65 178.310 178.310 177.930 0.380 17668 11403 1 30 . 1 1 60 60 ARG CA C 65 57.256 57.256 56.766 0.490 17668 11404 1 30 . 1 1 60 60 ARG CB C 65 28.748 28.748 31.059 -2.311 17668 11405 1 30 . 1 1 60 60 ARG H H 65 7.891 7.891 7.475 0.416 17668 11406 1 30 . 1 1 61 61 ILE N N 66 118.086 118.086 120.787 -2.701 17668 11407 1 30 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.747 -0.200 17668 11408 1 30 . 1 1 61 61 ILE C C 66 178.311 178.311 177.538 0.773 17668 11409 1 30 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.389 -0.644 17668 11410 1 30 . 1 1 61 61 ILE CB C 66 37.681 37.681 37.937 -0.256 17668 11411 1 30 . 1 1 61 61 ILE H H 66 7.443 7.443 8.375 -0.932 17668 11412 1 30 . 1 1 62 62 ALA N N 67 121.914 121.914 121.301 0.613 17668 11413 1 30 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.452 0.077 17668 11414 1 30 . 1 1 62 62 ALA C C 67 182.626 182.626 180.048 2.578 17668 11415 1 30 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.613 -0.363 17668 11416 1 30 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.477 -0.742 17668 11417 1 30 . 1 1 62 62 ALA H H 67 8.116 8.116 8.215 -0.099 17668 11418 1 30 . 1 1 63 63 ALA N N 68 121.367 121.367 121.922 -0.555 17668 11419 1 30 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.166 -0.154 17668 11420 1 30 . 1 1 63 63 ALA C C 68 179.690 179.690 178.838 0.852 17668 11421 1 30 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.066 0.194 17668 11422 1 30 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.341 -0.120 17668 11423 1 30 . 1 1 63 63 ALA H H 68 7.948 7.948 7.385 0.563 17668 11424 1 30 . 1 1 64 64 LEU N N 69 116.445 116.445 117.394 -0.949 17668 11425 1 30 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.086 0.061 17668 11426 1 30 . 1 1 64 64 LEU C C 69 176.931 176.931 177.219 -0.288 17668 11427 1 30 . 1 1 64 64 LEU CA C 69 55.245 55.245 55.441 -0.196 17668 11428 1 30 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.746 1.495 17668 11429 1 30 . 1 1 64 64 LEU H H 69 7.247 7.247 8.115 -0.868 17668 11430 1 30 . 1 1 65 65 GLY N N 70 103.867 103.867 105.092 -1.225 17668 11431 1 30 . 1 1 65 65 GLY C C 70 173.651 173.651 174.812 -1.161 17668 11432 1 30 . 1 1 65 65 GLY CA C 70 44.472 44.472 45.289 -0.818 17668 11433 1 30 . 1 1 65 65 GLY H H 70 7.668 7.668 7.456 0.212 17668 11434 1 30 . 1 1 66 66 TYR N N 71 119.180 119.180 120.257 -1.077 17668 11435 1 30 . 1 1 66 66 TYR C C 71 174.513 174.513 176.145 -1.632 17668 11436 1 30 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.474 0.547 17668 11437 1 30 . 1 1 66 66 TYR CB C 71 39.502 39.502 39.720 -0.218 17668 11438 1 30 . 1 1 66 66 TYR H H 71 6.798 6.798 7.266 -0.468 17668 11439 1 30 . 1 1 67 67 THR N N 72 109.883 109.883 111.895 -2.012 17668 11440 1 30 . 1 1 67 67 THR C C 72 173.998 173.998 173.236 0.762 17668 11441 1 30 . 1 1 67 67 THR CA C 72 60.249 60.249 60.860 -0.611 17668 11442 1 30 . 1 1 67 67 THR CB C 72 71.254 71.254 71.349 -0.095 17668 11443 1 30 . 1 1 67 67 THR H H 72 8.144 8.144 8.407 -0.263 17668 11444 1 30 . 1 1 68 68 LEU N N 73 122.461 122.461 116.795 5.666 17668 11445 1 30 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.507 -0.461 17668 11446 1 30 . 1 1 68 68 LEU C C 73 174.168 174.168 174.918 -0.750 17668 11447 1 30 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.376 -0.124 17668 11448 1 30 . 1 1 68 68 LEU CB C 73 43.743 43.743 46.517 -2.774 17668 11449 1 30 . 1 1 68 68 LEU H H 73 8.397 8.397 8.505 -0.108 17668 11450 1 30 . 1 1 69 69 ALA N N 74 125.195 125.195 121.188 4.007 17668 11451 1 30 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.720 -0.382 17668 11452 1 30 . 1 1 69 69 ALA C C 74 176.931 176.931 174.915 2.016 17668 11453 1 30 . 1 1 69 69 ALA CA C 74 55.254 55.254 52.502 2.752 17668 11454 1 30 . 1 1 69 69 ALA CB C 74 18.225 18.225 22.222 -3.997 17668 11455 1 30 . 1 1 69 69 ALA H H 74 8.200 8.200 8.816 -0.616 17668 11456 1 30 . 1 1 70 70 GLU N N 75 120.820 120.820 122.650 -1.830 17668 11457 1 30 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.861 -0.387 17668 11458 1 30 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.768 1.690 17668 11459 1 30 . 1 1 70 70 GLU CB C 75 29.591 29.591 33.203 -3.612 17668 11460 1 30 . 1 1 70 70 GLU H H 75 8.397 8.397 8.766 -0.369 17668 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 67 5.065 -0.935 5.016 17668 2 1 1 "Average Difference" HA 51 0.466 0.207 0.422 17668 3 1 1 "Average Difference" C 65 1.179 -0.402 1.117 17668 4 1 1 "Average Difference" CA 69 1.561 -0.194 1.560 17668 5 1 1 "Average Difference" CB 64 1.505 0.094 1.514 17668 6 1 1 "Average Difference" HN 66 0.637 0.046 0.640 17668 7 1 2 "Average Difference" N 67 5.071 -1.175 4.971 17668 8 1 2 "Average Difference" HA 51 0.393 0.151 0.366 17668 9 1 2 "Average Difference" C 65 1.228 -0.350 1.187 17668 10 1 2 "Average Difference" CA 69 1.385 0.068 1.393 17668 11 1 2 "Average Difference" CB 64 1.357 0.063 1.366 17668 12 1 2 "Average Difference" HN 66 0.658 -0.038 0.662 17668 13 1 3 "Average Difference" N 67 5.041 -0.897 4.998 17668 14 1 3 "Average Difference" HA 51 0.391 0.236 0.315 17668 15 1 3 "Average Difference" C 65 1.139 -0.397 1.076 17668 16 1 3 "Average Difference" CA 69 1.522 -0.273 1.508 17668 17 1 3 "Average Difference" CB 64 1.523 0.128 1.530 17668 18 1 3 "Average Difference" HN 66 0.633 0.029 0.638 17668 19 1 4 "Average Difference" N 67 5.068 -0.831 5.037 17668 20 1 4 "Average Difference" HA 51 0.330 0.154 0.295 17668 21 1 4 "Average Difference" C 65 1.203 -0.217 1.193 17668 22 1 4 "Average Difference" CA 69 1.336 0.008 1.346 17668 23 1 4 "Average Difference" CB 64 1.017 -0.017 1.025 17668 24 1 4 "Average Difference" HN 66 0.560 0.021 0.564 17668 25 1 5 "Average Difference" N 67 5.019 -0.993 4.957 17668 26 1 5 "Average Difference" HA 51 0.328 0.168 0.284 17668 27 1 5 "Average Difference" C 65 1.133 -0.238 1.116 17668 28 1 5 "Average Difference" CA 69 1.331 -0.017 1.340 17668 29 1 5 "Average Difference" CB 64 1.375 -0.042 1.385 17668 30 1 5 "Average Difference" HN 66 0.625 -0.021 0.629 17668 31 1 6 "Average Difference" N 67 5.100 -0.671 5.094 17668 32 1 6 "Average Difference" HA 51 0.431 0.178 0.397 17668 33 1 6 "Average Difference" C 65 1.258 -0.374 1.210 17668 34 1 6 "Average Difference" CA 69 1.331 -0.166 1.330 17668 35 1 6 "Average Difference" CB 64 1.512 -0.021 1.524 17668 36 1 6 "Average Difference" HN 66 0.667 -0.035 0.671 17668 37 1 7 "Average Difference" N 67 4.824 -0.836 4.787 17668 38 1 7 "Average Difference" HA 51 0.372 0.162 0.338 17668 39 1 7 "Average Difference" C 65 1.236 -0.328 1.200 17668 40 1 7 "Average Difference" CA 69 1.330 -0.063 1.338 17668 41 1 7 "Average Difference" CB 64 1.375 -0.052 1.384 17668 42 1 7 "Average Difference" HN 66 0.669 0.030 0.674 17668 43 1 8 "Average Difference" N 67 5.069 -0.903 5.025 17668 44 1 8 "Average Difference" HA 51 0.367 0.138 0.343 17668 45 1 8 "Average Difference" C 65 1.224 -0.292 1.198 17668 46 1 8 "Average Difference" CA 69 1.483 -0.008 1.494 17668 47 1 8 "Average Difference" CB 64 1.582 -0.036 1.594 17668 48 1 8 "Average Difference" HN 66 0.637 0.018 0.642 17668 49 1 9 "Average Difference" N 67 4.719 -0.171 4.751 17668 50 1 9 "Average Difference" HA 51 0.324 0.156 0.287 17668 51 1 9 "Average Difference" C 65 1.051 -0.189 1.041 17668 52 1 9 "Average Difference" CA 69 1.456 0.024 1.466 17668 53 1 9 "Average Difference" CB 64 1.239 -0.020 1.249 17668 54 1 9 "Average Difference" HN 66 0.600 -0.022 0.604 17668 55 1 10 "Average Difference" N 67 4.683 -0.805 4.648 17668 56 1 10 "Average Difference" HA 51 0.384 0.142 0.360 17668 57 1 10 "Average Difference" C 65 1.159 -0.305 1.127 17668 58 1 10 "Average Difference" CA 69 1.310 -0.029 1.320 17668 59 1 10 "Average Difference" CB 64 1.433 -0.108 1.440 17668 60 1 10 "Average Difference" HN 66 0.677 0.010 0.682 17668 61 1 11 "Average Difference" N 67 4.916 -0.717 4.900 17668 62 1 11 "Average Difference" HA 51 0.435 0.157 0.410 17668 63 1 11 "Average Difference" C 65 1.216 -0.380 1.164 17668 64 1 11 "Average Difference" CA 69 1.518 -0.145 1.522 17668 65 1 11 "Average Difference" CB 64 1.263 0.003 1.273 17668 66 1 11 "Average Difference" HN 66 0.647 0.022 0.652 17668 67 1 12 "Average Difference" N 67 5.045 -0.805 5.018 17668 68 1 12 "Average Difference" HA 51 0.379 0.213 0.316 17668 69 1 12 "Average Difference" C 65 1.142 -0.370 1.089 17668 70 1 12 "Average Difference" CA 69 1.322 -0.140 1.324 17668 71 1 12 "Average Difference" CB 64 1.370 0.062 1.379 17668 72 1 12 "Average Difference" HN 66 0.693 0.032 0.698 17668 73 1 13 "Average Difference" N 67 5.233 -0.980 5.179 17668 74 1 13 "Average Difference" HA 51 0.336 0.124 0.315 17668 75 1 13 "Average Difference" C 65 1.096 -0.102 1.099 17668 76 1 13 "Average Difference" CA 69 1.394 0.031 1.404 17668 77 1 13 "Average Difference" CB 64 1.375 -0.228 1.367 17668 78 1 13 "Average Difference" HN 66 0.663 -0.044 0.666 17668 79 1 14 "Average Difference" N 67 4.648 -0.957 4.582 17668 80 1 14 "Average Difference" HA 51 0.372 0.188 0.325 17668 81 1 14 "Average Difference" C 65 1.236 -0.279 1.214 17668 82 1 14 "Average Difference" CA 69 1.394 -0.032 1.404 17668 83 1 14 "Average Difference" CB 64 1.166 0.042 1.175 17668 84 1 14 "Average Difference" HN 66 0.697 -0.053 0.700 17668 85 1 15 "Average Difference" N 67 4.889 -0.845 4.852 17668 86 1 15 "Average Difference" HA 51 0.365 0.149 0.337 17668 87 1 15 "Average Difference" C 65 1.156 -0.299 1.125 17668 88 1 15 "Average Difference" CA 69 1.300 -0.091 1.306 17668 89 1 15 "Average Difference" CB 64 1.481 0.009 1.492 17668 90 1 15 "Average Difference" HN 66 0.654 -0.006 0.659 17668 91 1 16 "Average Difference" N 67 5.096 -1.301 4.964 17668 92 1 16 "Average Difference" HA 51 0.361 0.132 0.339 17668 93 1 16 "Average Difference" C 65 1.077 -0.182 1.070 17668 94 1 16 "Average Difference" CA 69 1.328 0.081 1.335 17668 95 1 16 "Average Difference" CB 64 1.381 -0.162 1.383 17668 96 1 16 "Average Difference" HN 66 0.646 0.014 0.651 17668 97 1 17 "Average Difference" N 67 4.917 -0.704 4.903 17668 98 1 17 "Average Difference" HA 51 0.348 0.172 0.306 17668 99 1 17 "Average Difference" C 65 1.068 -0.299 1.033 17668 100 1 17 "Average Difference" CA 69 1.254 -0.079 1.261 17668 101 1 17 "Average Difference" CB 64 1.376 -0.021 1.387 17668 102 1 17 "Average Difference" HN 66 0.625 0.036 0.628 17668 103 1 18 "Average Difference" N 67 5.100 -0.957 5.047 17668 104 1 18 "Average Difference" HA 51 0.394 0.197 0.344 17668 105 1 18 "Average Difference" C 65 1.089 -0.289 1.058 17668 106 1 18 "Average Difference" CA 69 1.446 -0.106 1.452 17668 107 1 18 "Average Difference" CB 64 1.441 0.051 1.451 17668 108 1 18 "Average Difference" HN 66 0.673 0.003 0.678 17668 109 1 19 "Average Difference" N 67 4.960 -0.395 4.982 17668 110 1 19 "Average Difference" HA 51 0.352 0.131 0.330 17668 111 1 19 "Average Difference" C 65 1.240 -0.322 1.207 17668 112 1 19 "Average Difference" CA 69 1.451 -0.043 1.461 17668 113 1 19 "Average Difference" CB 64 1.328 0.062 1.337 17668 114 1 19 "Average Difference" HN 66 0.617 0.030 0.621 17668 115 1 20 "Average Difference" N 67 4.920 -0.922 4.869 17668 116 1 20 "Average Difference" HA 51 0.307 0.184 0.248 17668 117 1 20 "Average Difference" C 65 1.161 -0.284 1.134 17668 118 1 20 "Average Difference" CA 69 1.477 -0.081 1.486 17668 119 1 20 "Average Difference" CB 64 1.176 -0.011 1.185 17668 120 1 20 "Average Difference" HN 66 0.691 -0.047 0.695 17668 121 1 21 "Average Difference" N 67 4.794 -0.783 4.765 17668 122 1 21 "Average Difference" HA 51 0.334 0.157 0.298 17668 123 1 21 "Average Difference" C 65 1.088 -0.194 1.079 17668 124 1 21 "Average Difference" CA 69 1.331 -0.047 1.340 17668 125 1 21 "Average Difference" CB 64 1.253 -0.102 1.259 17668 126 1 21 "Average Difference" HN 66 0.606 -0.017 0.611 17668 127 1 22 "Average Difference" N 67 4.689 -0.644 4.680 17668 128 1 22 "Average Difference" HA 51 0.395 0.152 0.369 17668 129 1 22 "Average Difference" C 65 1.263 -0.313 1.233 17668 130 1 22 "Average Difference" CA 69 1.460 -0.201 1.457 17668 131 1 22 "Average Difference" CB 64 1.270 0.011 1.280 17668 132 1 22 "Average Difference" HN 66 0.623 -0.002 0.628 17668 133 1 23 "Average Difference" N 67 4.608 -0.508 4.615 17668 134 1 23 "Average Difference" HA 51 0.333 0.165 0.293 17668 135 1 23 "Average Difference" C 65 1.101 -0.263 1.078 17668 136 1 23 "Average Difference" CA 69 1.357 0.006 1.367 17668 137 1 23 "Average Difference" CB 64 1.368 0.114 1.374 17668 138 1 23 "Average Difference" HN 66 0.579 0.035 0.582 17668 139 1 24 "Average Difference" N 67 5.525 -1.282 5.415 17668 140 1 24 "Average Difference" HA 51 0.369 0.146 0.342 17668 141 1 24 "Average Difference" C 65 1.188 -0.305 1.157 17668 142 1 24 "Average Difference" CA 69 1.434 -0.031 1.444 17668 143 1 24 "Average Difference" CB 64 1.428 -0.010 1.440 17668 144 1 24 "Average Difference" HN 66 0.631 -0.001 0.635 17668 145 1 25 "Average Difference" N 67 5.131 -0.896 5.090 17668 146 1 25 "Average Difference" HA 51 0.354 0.183 0.306 17668 147 1 25 "Average Difference" C 65 1.143 -0.169 1.139 17668 148 1 25 "Average Difference" CA 69 1.479 -0.068 1.488 17668 149 1 25 "Average Difference" CB 64 1.339 0.006 1.349 17668 150 1 25 "Average Difference" HN 66 0.711 0.008 0.717 17668 151 1 26 "Average Difference" N 67 4.759 -0.584 4.759 17668 152 1 26 "Average Difference" HA 51 0.360 0.152 0.330 17668 153 1 26 "Average Difference" C 65 1.107 -0.310 1.071 17668 154 1 26 "Average Difference" CA 69 1.350 -0.040 1.359 17668 155 1 26 "Average Difference" CB 64 1.242 -0.035 1.252 17668 156 1 26 "Average Difference" HN 66 0.585 -0.030 0.589 17668 157 1 27 "Average Difference" N 67 4.814 -0.762 4.789 17668 158 1 27 "Average Difference" HA 51 0.333 0.174 0.287 17668 159 1 27 "Average Difference" C 65 1.152 -0.257 1.131 17668 160 1 27 "Average Difference" CA 69 1.334 -0.083 1.341 17668 161 1 27 "Average Difference" CB 64 1.369 0.056 1.379 17668 162 1 27 "Average Difference" HN 66 0.578 -0.008 0.583 17668 163 1 28 "Average Difference" N 67 5.278 -1.038 5.213 17668 164 1 28 "Average Difference" HA 51 0.305 0.147 0.270 17668 165 1 28 "Average Difference" C 65 1.023 -0.110 1.025 17668 166 1 28 "Average Difference" CA 69 1.238 0.086 1.244 17668 167 1 28 "Average Difference" CB 64 1.428 -0.035 1.439 17668 168 1 28 "Average Difference" HN 66 0.644 -0.047 0.647 17668 169 1 29 "Average Difference" N 67 4.974 -1.009 4.907 17668 170 1 29 "Average Difference" HA 51 0.371 0.175 0.331 17668 171 1 29 "Average Difference" C 65 1.134 -0.268 1.110 17668 172 1 29 "Average Difference" CA 69 1.566 -0.136 1.572 17668 173 1 29 "Average Difference" CB 64 1.479 -0.060 1.489 17668 174 1 29 "Average Difference" HN 66 0.592 0.016 0.596 17668 175 1 30 "Average Difference" N 67 5.074 -0.647 5.070 17668 176 1 30 "Average Difference" HA 51 0.414 0.191 0.370 17668 177 1 30 "Average Difference" C 65 1.284 -0.347 1.245 17668 178 1 30 "Average Difference" CA 69 1.494 -0.073 1.503 17668 179 1 30 "Average Difference" CB 64 1.442 0.168 1.444 17668 180 1 30 "Average Difference" HN 66 0.640 0.031 0.644 17668 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 17668 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LEU N N 7 119.727 119.727 118.356 1.371 17668 2 1 . 1 1 2 2 LEU HA H 7 4.338 4.338 4.741 -0.403 17668 3 1 . 1 1 2 2 LEU C C 7 176.410 176.410 176.021 0.389 17668 4 1 . 1 1 2 2 LEU CA C 7 54.010 54.010 54.537 -0.527 17668 5 1 . 1 1 2 2 LEU CB C 7 43.226 43.226 43.493 -0.267 17668 6 1 . 1 1 2 2 LEU H H 7 7.919 7.919 8.268 -0.349 17668 7 1 . 1 1 3 3 LYS N N 8 123.008 123.008 120.420 2.588 17668 8 1 . 1 1 3 3 LYS HA H 8 4.365 4.365 4.591 -0.226 17668 9 1 . 1 1 3 3 LYS C C 8 174.512 174.512 175.055 -0.543 17668 10 1 . 1 1 3 3 LYS CA C 8 54.741 54.741 54.930 -0.189 17668 11 1 . 1 1 3 3 LYS CB C 8 35.723 35.723 35.112 0.611 17668 12 1 . 1 1 3 3 LYS H H 8 8.650 8.650 8.417 0.233 17668 13 1 . 1 1 4 4 THR N N 9 120.273 120.273 117.305 2.968 17668 14 1 . 1 1 4 4 THR HA H 9 5.372 5.372 4.740 0.632 17668 15 1 . 1 1 4 4 THR C C 9 174.170 174.170 174.162 0.008 17668 16 1 . 1 1 4 4 THR CA C 9 61.756 61.756 61.917 -0.161 17668 17 1 . 1 1 4 4 THR CB C 9 70.757 70.757 69.749 1.008 17668 18 1 . 1 1 4 4 THR H H 9 8.481 8.481 8.315 0.166 17668 19 1 . 1 1 5 5 GLN N N 10 126.836 126.836 123.390 3.446 17668 20 1 . 1 1 5 5 GLN C C 10 173.651 173.651 173.410 0.241 17668 21 1 . 1 1 5 5 GLN CA C 10 54.236 54.236 55.193 -0.957 17668 22 1 . 1 1 5 5 GLN CB C 10 34.484 34.484 32.164 2.320 17668 23 1 . 1 1 5 5 GLN H H 10 9.295 9.295 8.505 0.790 17668 24 1 . 1 1 6 6 GLN N N 11 121.367 121.367 123.327 -1.960 17668 25 1 . 1 1 6 6 GLN HA H 11 5.646 5.646 5.282 0.364 17668 26 1 . 1 1 6 6 GLN C C 11 176.069 176.069 175.046 1.023 17668 27 1 . 1 1 6 6 GLN CA C 11 53.760 53.760 54.826 -1.066 17668 28 1 . 1 1 6 6 GLN CB C 11 31.237 31.237 31.580 -0.343 17668 29 1 . 1 1 6 6 GLN H H 11 8.425 8.425 8.578 -0.153 17668 30 1 . 1 1 7 7 MET N N 12 120.273 120.273 119.312 0.961 17668 31 1 . 1 1 7 7 MET C C 12 173.824 173.824 173.910 -0.086 17668 32 1 . 1 1 7 7 MET CA C 12 54.598 54.598 54.639 -0.041 17668 33 1 . 1 1 7 7 MET CB C 12 37.258 37.258 36.432 0.826 17668 34 1 . 1 1 7 7 MET H H 12 9.294 9.294 8.825 0.469 17668 35 1 . 1 1 8 8 GLN N N 13 122.461 122.461 120.424 2.037 17668 36 1 . 1 1 8 8 GLN C C 13 174.863 174.863 174.416 0.447 17668 37 1 . 1 1 8 8 GLN CA C 13 54.753 54.753 55.134 -0.381 17668 38 1 . 1 1 8 8 GLN CB C 13 30.243 30.243 31.077 -0.834 17668 39 1 . 1 1 8 8 GLN H H 13 8.790 8.790 8.577 0.213 17668 40 1 . 1 1 9 9 VAL N N 14 126.289 126.289 121.578 4.711 17668 41 1 . 1 1 9 9 VAL C C 14 176.586 176.586 174.979 1.607 17668 42 1 . 1 1 9 9 VAL CA C 14 61.255 61.255 60.558 0.697 17668 43 1 . 1 1 9 9 VAL CB C 14 33.467 33.467 35.293 -1.826 17668 44 1 . 1 1 9 9 VAL H H 14 8.930 8.930 8.500 0.430 17668 45 1 . 1 1 10 10 GLY N N 15 117.539 117.539 113.505 4.034 17668 46 1 . 1 1 10 10 GLY C C 15 173.997 173.997 174.327 -0.330 17668 47 1 . 1 1 10 10 GLY CA C 15 44.245 44.245 44.986 -0.741 17668 48 1 . 1 1 10 10 GLY H H 15 9.351 9.351 8.716 0.635 17668 49 1 . 1 1 11 11 GLY N N 16 107.149 107.149 110.751 -3.602 17668 50 1 . 1 1 11 11 GLY C C 16 176.067 176.067 174.548 1.519 17668 51 1 . 1 1 11 11 GLY CA C 16 45.256 45.256 45.310 -0.054 17668 52 1 . 1 1 11 11 GLY H H 16 8.284 8.284 8.290 -0.006 17668 53 1 . 1 1 12 12 MET N N 17 118.633 118.633 119.623 -0.990 17668 54 1 . 1 1 12 12 MET C C 17 177.102 177.102 175.857 1.245 17668 55 1 . 1 1 12 12 MET CA C 17 57.740 57.740 55.901 1.839 17668 56 1 . 1 1 12 12 MET CB C 17 34.243 34.243 32.323 1.920 17668 57 1 . 1 1 12 12 MET H H 17 8.509 8.509 7.616 0.893 17668 58 1 . 1 1 13 13 ARG N N 18 126.836 126.836 119.018 7.818 17668 59 1 . 1 1 13 13 ARG C C 18 175.032 175.032 176.005 -0.973 17668 60 1 . 1 1 13 13 ARG CA C 18 57.239 57.239 56.472 0.767 17668 61 1 . 1 1 13 13 ARG CB C 18 32.744 32.744 29.644 3.100 17668 62 1 . 1 1 13 13 ARG H H 18 10.782 10.782 8.016 2.766 17668 63 1 . 1 1 14 14 CYS N N 19 114.805 114.805 118.932 -4.127 17668 64 1 . 1 1 14 14 CYS CA C 19 56.217 56.217 59.068 -2.851 17668 65 1 . 1 1 14 14 CYS CB C 19 30.413 30.413 28.745 1.668 17668 66 1 . 1 1 14 14 CYS H H 19 8.425 8.425 8.141 0.284 17668 67 1 . 1 1 15 15 ALA CA C 20 51.257 51.257 53.619 -2.362 17668 68 1 . 1 1 15 15 ALA CB C 20 19.247 19.247 19.127 0.120 17668 69 1 . 1 1 16 16 ALA N N 21 118.906 118.906 121.664 -2.758 17668 70 1 . 1 1 16 16 ALA HA H 21 4.147 4.147 4.150 -0.003 17668 71 1 . 1 1 16 16 ALA C C 21 180.553 180.553 178.697 1.856 17668 72 1 . 1 1 16 16 ALA CA C 21 54.756 54.756 53.690 1.066 17668 73 1 . 1 1 16 16 ALA CB C 21 18.233 18.233 17.984 0.249 17668 74 1 . 1 1 17 17 CYS N N 22 121.914 121.914 117.932 3.982 17668 75 1 . 1 1 17 17 CYS HA H 22 3.821 3.821 4.282 -0.461 17668 76 1 . 1 1 17 17 CYS C C 22 177.966 177.966 176.560 1.406 17668 77 1 . 1 1 17 17 CYS CA C 22 64.748 64.748 61.135 3.613 17668 78 1 . 1 1 17 17 CYS CB C 22 29.245 29.245 27.264 1.981 17668 79 1 . 1 1 17 17 CYS H H 22 7.640 7.640 7.981 -0.341 17668 80 1 . 1 1 18 18 ALA N N 23 119.180 119.180 122.945 -3.765 17668 81 1 . 1 1 18 18 ALA HA H 23 3.603 3.603 3.970 -0.367 17668 82 1 . 1 1 18 18 ALA C C 23 179.173 179.173 178.799 0.374 17668 83 1 . 1 1 18 18 ALA CA C 23 55.258 55.258 54.911 0.347 17668 84 1 . 1 1 18 18 ALA CB C 23 18.741 18.741 18.107 0.634 17668 85 1 . 1 1 18 18 ALA H H 23 6.629 6.629 8.381 -1.752 17668 86 1 . 1 1 19 19 SER N N 24 112.618 112.618 113.766 -1.148 17668 87 1 . 1 1 19 19 SER HA H 24 4.147 4.147 4.221 -0.074 17668 88 1 . 1 1 19 19 SER C C 24 176.764 176.764 176.657 0.107 17668 89 1 . 1 1 19 19 SER CA C 24 61.259 61.259 61.617 -0.359 17668 90 1 . 1 1 19 19 SER CB C 24 62.754 62.754 63.048 -0.294 17668 91 1 . 1 1 19 19 SER H H 24 7.752 7.752 8.121 -0.369 17668 92 1 . 1 1 20 20 SER N N 25 116.992 116.992 118.617 -1.625 17668 93 1 . 1 1 20 20 SER HA H 25 3.521 3.521 4.272 -0.751 17668 94 1 . 1 1 20 20 SER C C 25 177.448 177.448 175.983 1.465 17668 95 1 . 1 1 20 20 SER CA C 25 61.870 61.870 61.320 0.550 17668 96 1 . 1 1 20 20 SER CB C 25 62.751 62.751 63.061 -0.310 17668 97 1 . 1 1 20 20 SER H H 25 7.989 7.989 7.852 0.137 17668 98 1 . 1 1 21 21 ILE N N 26 122.461 122.461 122.577 -0.116 17668 99 1 . 1 1 21 21 ILE HA H 26 3.330 3.330 3.884 -0.554 17668 100 1 . 1 1 21 21 ILE C C 26 176.930 176.930 177.439 -0.509 17668 101 1 . 1 1 21 21 ILE CA C 26 66.255 66.255 63.983 2.272 17668 102 1 . 1 1 21 21 ILE CB C 26 38.237 38.237 37.882 0.355 17668 103 1 . 1 1 21 21 ILE H H 26 7.583 7.583 7.761 -0.178 17668 104 1 . 1 1 22 22 GLU N N 27 116.992 116.992 119.750 -2.758 17668 105 1 . 1 1 22 22 GLU HA H 27 3.466 3.466 3.990 -0.524 17668 106 1 . 1 1 22 22 GLU C C 27 178.916 178.916 178.958 -0.042 17668 107 1 . 1 1 22 22 GLU CA C 27 60.753 60.753 59.333 1.420 17668 108 1 . 1 1 22 22 GLU CB C 27 29.707 29.707 29.632 0.075 17668 109 1 . 1 1 22 22 GLU H H 27 8.004 8.004 8.287 -0.283 17668 110 1 . 1 1 23 23 ARG N N 28 114.805 114.805 118.845 -4.040 17668 111 1 . 1 1 23 23 ARG HA H 28 3.956 3.956 4.109 -0.153 17668 112 1 . 1 1 23 23 ARG C C 28 179.517 179.517 177.520 1.997 17668 113 1 . 1 1 23 23 ARG CA C 28 58.752 58.752 58.649 0.103 17668 114 1 . 1 1 23 23 ARG CB C 28 30.746 30.746 30.294 0.452 17668 115 1 . 1 1 23 23 ARG H H 28 8.256 8.256 8.127 0.129 17668 116 1 . 1 1 24 24 ALA N N 29 118.633 118.633 120.896 -2.263 17668 117 1 . 1 1 24 24 ALA HA H 29 3.957 3.957 4.300 -0.343 17668 118 1 . 1 1 24 24 ALA C C 29 181.073 181.073 179.385 1.688 17668 119 1 . 1 1 24 24 ALA CA C 29 54.749 54.749 53.850 0.899 17668 120 1 . 1 1 24 24 ALA CB C 29 18.729 18.729 18.930 -0.201 17668 121 1 . 1 1 24 24 ALA H H 29 7.555 7.555 7.642 -0.087 17668 122 1 . 1 1 25 25 LEU N N 30 115.899 115.899 120.386 -4.487 17668 123 1 . 1 1 25 25 LEU HA H 30 3.984 3.984 4.051 -0.067 17668 124 1 . 1 1 25 25 LEU C C 30 178.658 178.658 178.166 0.492 17668 125 1 . 1 1 25 25 LEU CA C 30 57.221 57.221 57.499 -0.278 17668 126 1 . 1 1 25 25 LEU CB C 30 41.248 41.248 41.881 -0.633 17668 127 1 . 1 1 25 25 LEU H H 30 7.976 7.976 8.199 -0.223 17668 128 1 . 1 1 26 26 GLU N N 31 115.899 115.899 115.335 0.564 17668 129 1 . 1 1 26 26 GLU HA H 31 3.738 3.738 4.186 -0.448 17668 130 1 . 1 1 26 26 GLU C C 31 177.793 177.793 177.696 0.097 17668 131 1 . 1 1 26 26 GLU CA C 31 58.727 58.727 57.952 0.775 17668 132 1 . 1 1 26 26 GLU CB C 31 29.241 29.241 29.601 -0.360 17668 133 1 . 1 1 26 26 GLU H H 31 8.116 8.116 8.040 0.076 17668 134 1 . 1 1 27 27 ARG N N 32 114.258 114.258 118.001 -3.743 17668 135 1 . 1 1 27 27 ARG HA H 32 4.147 4.147 4.408 -0.261 17668 136 1 . 1 1 27 27 ARG C C 32 176.757 176.757 177.028 -0.271 17668 137 1 . 1 1 27 27 ARG CA C 32 56.250 56.250 56.128 0.122 17668 138 1 . 1 1 27 27 ARG CB C 32 30.744 30.744 31.198 -0.454 17668 139 1 . 1 1 27 27 ARG H H 32 6.854 6.854 7.817 -0.963 17668 140 1 . 1 1 28 28 LEU N N 33 123.008 123.008 121.135 1.873 17668 141 1 . 1 1 28 28 LEU HA H 33 4.202 4.202 4.216 -0.014 17668 142 1 . 1 1 28 28 LEU C C 33 176.412 176.412 176.725 -0.313 17668 143 1 . 1 1 28 28 LEU CA C 33 54.249 54.249 55.210 -0.961 17668 144 1 . 1 1 28 28 LEU CB C 33 41.739 41.739 42.054 -0.315 17668 145 1 . 1 1 28 28 LEU H H 33 7.501 7.501 7.578 -0.077 17668 146 1 . 1 1 29 29 LYS N N 34 127.383 127.383 121.112 6.271 17668 147 1 . 1 1 29 29 LYS HA H 34 3.874 3.874 4.176 -0.302 17668 148 1 . 1 1 29 29 LYS C C 34 176.412 176.412 177.491 -1.079 17668 149 1 . 1 1 29 29 LYS CA C 34 58.242 58.242 56.993 1.249 17668 150 1 . 1 1 29 29 LYS CB C 34 31.746 31.746 32.548 -0.802 17668 151 1 . 1 1 29 29 LYS H H 34 8.341 8.341 8.284 0.057 17668 152 1 . 1 1 30 30 GLY N N 35 111.524 111.524 109.464 2.060 17668 153 1 . 1 1 30 30 GLY C C 35 175.715 175.715 173.884 1.831 17668 154 1 . 1 1 30 30 GLY CA C 35 45.488 45.488 45.565 -0.077 17668 155 1 . 1 1 30 30 GLY H H 35 8.509 8.509 8.642 -0.133 17668 156 1 . 1 1 31 31 VAL N N 36 122.461 122.461 119.523 2.938 17668 157 1 . 1 1 31 31 VAL HA H 36 3.874 3.874 4.353 -0.479 17668 158 1 . 1 1 31 31 VAL C C 36 175.032 175.032 174.664 0.368 17668 159 1 . 1 1 31 31 VAL CA C 36 63.757 63.757 61.876 1.881 17668 160 1 . 1 1 31 31 VAL CB C 36 31.250 31.250 32.734 -1.484 17668 161 1 . 1 1 31 31 VAL H H 36 7.892 7.892 7.646 0.246 17668 162 1 . 1 1 32 32 ALA N N 37 131.758 131.758 129.656 2.102 17668 163 1 . 1 1 32 32 ALA HA H 37 4.365 4.365 4.616 -0.251 17668 164 1 . 1 1 32 32 ALA C C 37 177.619 177.619 176.906 0.713 17668 165 1 . 1 1 32 32 ALA CA C 37 53.246 53.246 52.432 0.814 17668 166 1 . 1 1 32 32 ALA CB C 37 20.722 20.722 21.119 -0.397 17668 167 1 . 1 1 32 32 ALA H H 37 9.042 9.042 8.912 0.130 17668 168 1 . 1 1 33 33 GLU N N 38 114.258 114.258 117.157 -2.899 17668 169 1 . 1 1 33 33 GLU HA H 38 4.501 4.501 4.568 -0.067 17668 170 1 . 1 1 33 33 GLU C C 38 173.651 173.651 173.969 -0.318 17668 171 1 . 1 1 33 33 GLU CA C 38 55.577 55.577 56.395 -0.818 17668 172 1 . 1 1 33 33 GLU CB C 38 33.666 33.666 32.743 0.923 17668 173 1 . 1 1 33 33 GLU H H 38 7.555 7.555 7.795 -0.240 17668 174 1 . 1 1 34 34 ALA N N 39 125.742 125.742 125.745 -0.003 17668 175 1 . 1 1 34 34 ALA HA H 39 5.101 5.101 5.068 0.033 17668 176 1 . 1 1 34 34 ALA C C 39 175.033 175.033 175.675 -0.642 17668 177 1 . 1 1 34 34 ALA CA C 39 51.280 51.280 51.589 -0.309 17668 178 1 . 1 1 34 34 ALA CB C 39 23.237 23.237 22.202 1.035 17668 179 1 . 1 1 34 34 ALA H H 39 9.014 9.014 8.422 0.592 17668 180 1 . 1 1 35 35 SER N N 40 113.711 113.711 115.808 -2.097 17668 181 1 . 1 1 35 35 SER HA H 40 4.855 4.855 4.988 -0.133 17668 182 1 . 1 1 35 35 SER C C 40 173.824 173.824 173.338 0.486 17668 183 1 . 1 1 35 35 SER CA C 40 56.254 56.254 57.976 -1.722 17668 184 1 . 1 1 35 35 SER CB C 40 65.255 65.255 65.833 -0.578 17668 185 1 . 1 1 35 35 SER H H 40 8.481 8.481 8.840 -0.359 17668 186 1 . 1 1 36 36 VAL N N 41 129.570 129.570 123.888 5.682 17668 187 1 . 1 1 36 36 VAL C C 41 175.204 175.204 175.894 -0.690 17668 188 1 . 1 1 36 36 VAL CA C 41 60.265 60.265 61.320 -1.055 17668 189 1 . 1 1 36 36 VAL CB C 41 33.743 33.743 32.423 1.320 17668 190 1 . 1 1 36 36 VAL H H 41 10.164 10.164 9.228 0.936 17668 191 1 . 1 1 37 37 THR N N 42 123.008 123.008 123.121 -0.113 17668 192 1 . 1 1 37 37 THR HA H 42 4.392 4.392 4.595 -0.203 17668 193 1 . 1 1 37 37 THR C C 42 175.030 175.030 174.742 0.288 17668 194 1 . 1 1 37 37 THR CA C 42 60.760 60.760 61.510 -0.750 17668 195 1 . 1 1 37 37 THR CB C 42 69.255 69.255 69.315 -0.060 17668 196 1 . 1 1 37 37 THR H H 42 8.453 8.453 8.658 -0.205 17668 197 1 . 1 1 38 38 VAL N N 43 128.476 128.476 127.742 0.734 17668 198 1 . 1 1 38 38 VAL HA H 43 3.302 3.302 3.722 -0.420 17668 199 1 . 1 1 38 38 VAL C C 43 176.067 176.067 177.346 -1.279 17668 200 1 . 1 1 38 38 VAL CA C 43 63.268 63.268 65.435 -2.167 17668 201 1 . 1 1 38 38 VAL CB C 43 32.227 32.227 31.740 0.487 17668 202 1 . 1 1 38 38 VAL H H 43 8.789 8.789 8.698 0.091 17668 203 1 . 1 1 39 39 ALA N N 44 119.180 119.180 120.958 -1.778 17668 204 1 . 1 1 39 39 ALA HA H 44 3.984 3.984 4.154 -0.170 17668 205 1 . 1 1 39 39 ALA C C 44 179.167 179.167 178.398 0.769 17668 206 1 . 1 1 39 39 ALA CA C 44 55.225 55.225 54.522 0.703 17668 207 1 . 1 1 39 39 ALA CB C 44 18.995 18.995 18.499 0.496 17668 208 1 . 1 1 39 39 ALA H H 44 8.509 8.509 8.275 0.234 17668 209 1 . 1 1 40 40 THR N N 45 135.586 135.586 106.969 28.617 17668 210 1 . 1 1 40 40 THR HA H 45 4.338 4.338 4.353 -0.015 17668 211 1 . 1 1 40 40 THR C C 45 176.237 176.237 175.332 0.905 17668 212 1 . 1 1 40 40 THR CA C 45 60.254 60.254 61.634 -1.380 17668 213 1 . 1 1 40 40 THR CB C 45 70.261 70.261 70.464 -0.203 17668 214 1 . 1 1 40 40 THR H H 45 6.713 6.713 7.566 -0.853 17668 215 1 . 1 1 41 41 GLY N N 46 110.977 110.977 111.779 -0.802 17668 216 1 . 1 1 41 41 GLY C C 46 172.096 172.096 173.291 -1.195 17668 217 1 . 1 1 41 41 GLY CA C 46 46.225 46.225 45.501 0.724 17668 218 1 . 1 1 41 41 GLY H H 46 7.835 7.835 8.006 -0.171 17668 219 1 . 1 1 42 42 ARG N N 47 118.086 118.086 117.825 0.261 17668 220 1 . 1 1 42 42 ARG C C 47 175.032 175.032 173.936 1.096 17668 221 1 . 1 1 42 42 ARG CA C 47 56.250 56.250 54.530 1.720 17668 222 1 . 1 1 42 42 ARG CB C 47 31.739 31.739 33.868 -2.129 17668 223 1 . 1 1 42 42 ARG H H 47 7.303 7.303 7.928 -0.625 17668 224 1 . 1 1 43 43 LEU N N 48 129.023 129.023 119.848 9.175 17668 225 1 . 1 1 43 43 LEU HA H 48 5.019 5.019 5.075 -0.056 17668 226 1 . 1 1 43 43 LEU C C 48 175.033 175.033 175.221 -0.188 17668 227 1 . 1 1 43 43 LEU CA C 48 53.250 53.250 53.753 -0.503 17668 228 1 . 1 1 43 43 LEU CB C 48 45.081 45.081 46.897 -1.816 17668 229 1 . 1 1 43 43 LEU H H 48 8.986 8.986 8.621 0.365 17668 230 1 . 1 1 44 44 THR N N 49 123.008 123.008 118.558 4.450 17668 231 1 . 1 1 44 44 THR HA H 49 4.964 4.964 5.328 -0.364 17668 232 1 . 1 1 44 44 THR C C 49 173.475 173.475 172.707 0.768 17668 233 1 . 1 1 44 44 THR CA C 49 61.752 61.752 61.757 -0.005 17668 234 1 . 1 1 44 44 THR CB C 49 69.756 69.756 71.025 -1.269 17668 235 1 . 1 1 44 44 THR H H 49 9.154 9.154 8.417 0.737 17668 236 1 . 1 1 45 45 VAL N N 50 125.195 125.195 125.928 -0.733 17668 237 1 . 1 1 45 45 VAL HA H 50 5.182 5.182 4.806 0.376 17668 238 1 . 1 1 45 45 VAL C C 50 172.614 172.614 173.404 -0.790 17668 239 1 . 1 1 45 45 VAL CA C 50 58.762 58.762 60.244 -1.482 17668 240 1 . 1 1 45 45 VAL CB C 50 35.452 35.452 35.995 -0.543 17668 241 1 . 1 1 45 45 VAL H H 50 9.071 9.071 9.271 -0.200 17668 242 1 . 1 1 46 46 THR N N 51 124.648 124.648 124.884 -0.236 17668 243 1 . 1 1 46 46 THR HA H 51 5.782 5.782 5.220 0.562 17668 244 1 . 1 1 46 46 THR C C 51 174.684 174.684 173.531 1.153 17668 245 1 . 1 1 46 46 THR CA C 51 61.248 61.248 61.175 0.073 17668 246 1 . 1 1 46 46 THR CB C 51 70.265 70.265 69.657 0.608 17668 247 1 . 1 1 46 46 THR H H 51 8.930 8.930 8.910 0.020 17668 248 1 . 1 1 47 47 TYR N N 52 124.648 124.648 123.175 1.473 17668 249 1 . 1 1 47 47 TYR HA H 52 5.291 5.291 5.194 0.097 17668 250 1 . 1 1 47 47 TYR C C 52 171.408 171.408 172.924 -1.516 17668 251 1 . 1 1 47 47 TYR CA C 52 55.245 55.245 55.529 -0.284 17668 252 1 . 1 1 47 47 TYR CB C 52 41.754 41.754 41.015 0.739 17668 253 1 . 1 1 47 47 TYR H H 52 9.603 9.603 8.533 1.070 17668 254 1 . 1 1 48 48 ASP N N 53 119.180 119.180 121.300 -2.120 17668 255 1 . 1 1 48 48 ASP HA H 53 4.965 4.965 5.191 -0.226 17668 256 1 . 1 1 48 48 ASP CA C 53 50.009 50.009 50.576 -0.567 17668 257 1 . 1 1 48 48 ASP CB C 53 41.558 41.558 42.944 -1.386 17668 258 1 . 1 1 48 48 ASP H H 53 8.481 8.481 8.563 -0.081 17668 259 1 . 1 1 49 49 PRO HA H 54 5.373 5.373 4.924 0.449 17668 260 1 . 1 1 49 49 PRO C C 54 178.311 178.311 176.552 1.759 17668 261 1 . 1 1 49 49 PRO CA C 54 63.263 63.263 63.914 -0.651 17668 262 1 . 1 1 49 49 PRO CB C 54 32.243 32.243 31.806 0.437 17668 263 1 . 1 1 50 50 LYS N N 55 116.992 116.992 117.695 -0.703 17668 264 1 . 1 1 50 50 LYS HA H 55 4.120 4.120 4.450 -0.330 17668 265 1 . 1 1 50 50 LYS C C 55 177.802 177.802 177.935 -0.133 17668 266 1 . 1 1 50 50 LYS CA C 55 57.726 57.726 56.818 0.908 17668 267 1 . 1 1 50 50 LYS CB C 55 31.865 31.865 33.653 -1.788 17668 268 1 . 1 1 50 50 LYS H H 55 8.284 8.284 8.006 0.278 17668 269 1 . 1 1 51 51 GLN N N 56 115.352 115.352 118.625 -3.273 17668 270 1 . 1 1 51 51 GLN HA H 56 4.311 4.311 4.230 0.081 17668 271 1 . 1 1 51 51 GLN C C 56 175.031 175.031 176.650 -1.619 17668 272 1 . 1 1 51 51 GLN CA C 56 56.756 56.756 58.024 -1.268 17668 273 1 . 1 1 51 51 GLN CB C 56 33.752 33.752 30.089 3.663 17668 274 1 . 1 1 51 51 GLN H H 56 7.864 7.864 8.636 -0.772 17668 275 1 . 1 1 52 52 VAL N N 57 120.273 120.273 111.316 8.957 17668 276 1 . 1 1 52 52 VAL HA H 57 4.393 4.393 4.509 -0.116 17668 277 1 . 1 1 52 52 VAL C C 57 170.718 170.718 173.758 -3.040 17668 278 1 . 1 1 52 52 VAL CA C 57 59.772 59.772 59.777 -0.005 17668 279 1 . 1 1 52 52 VAL CB C 57 34.228 34.228 34.571 -0.343 17668 280 1 . 1 1 52 52 VAL H H 57 8.172 8.172 8.024 0.148 17668 281 1 . 1 1 53 53 SER N N 58 116.992 116.992 113.619 3.373 17668 282 1 . 1 1 53 53 SER C C 58 175.377 175.377 175.142 0.235 17668 283 1 . 1 1 53 53 SER CA C 58 55.251 55.251 57.107 -1.856 17668 284 1 . 1 1 53 53 SER CB C 58 66.750 66.750 65.835 0.915 17668 285 1 . 1 1 53 53 SER H H 58 7.611 7.611 8.065 -0.454 17668 286 1 . 1 1 54 54 GLU N N 59 120.820 120.820 121.617 -0.797 17668 287 1 . 1 1 54 54 GLU HA H 59 3.358 3.358 3.840 -0.482 17668 288 1 . 1 1 54 54 GLU C C 59 178.308 178.308 178.000 0.308 17668 289 1 . 1 1 54 54 GLU CA C 59 59.743 59.743 58.854 0.889 17668 290 1 . 1 1 54 54 GLU CB C 59 29.240 29.240 28.744 0.496 17668 291 1 . 1 1 54 54 GLU H H 59 8.930 8.930 8.794 0.137 17668 292 1 . 1 1 55 55 ILE N N 60 118.086 118.086 120.330 -2.244 17668 293 1 . 1 1 55 55 ILE HA H 60 3.738 3.738 3.702 0.036 17668 294 1 . 1 1 55 55 ILE C C 60 177.448 177.448 178.100 -0.652 17668 295 1 . 1 1 55 55 ILE CA C 60 63.749 63.749 64.010 -0.262 17668 296 1 . 1 1 55 55 ILE CB C 60 37.515 37.515 36.925 0.590 17668 297 1 . 1 1 55 55 ILE H H 60 7.583 7.583 7.662 -0.079 17668 298 1 . 1 1 56 56 THR N N 61 119.727 119.727 114.649 5.078 17668 299 1 . 1 1 56 56 THR HA H 61 3.766 3.766 4.016 -0.250 17668 300 1 . 1 1 56 56 THR C C 61 177.104 177.104 176.044 1.060 17668 301 1 . 1 1 56 56 THR CA C 61 66.264 66.264 66.695 -0.431 17668 302 1 . 1 1 56 56 THR CB C 61 68.245 68.245 68.586 -0.341 17668 303 1 . 1 1 56 56 THR H H 61 7.471 7.471 7.838 -0.367 17668 304 1 . 1 1 57 57 ILE N N 62 121.367 121.367 120.519 0.848 17668 305 1 . 1 1 57 57 ILE HA H 62 3.031 3.031 4.016 -0.985 17668 306 1 . 1 1 57 57 ILE C C 62 176.756 176.756 176.449 0.307 17668 307 1 . 1 1 57 57 ILE CA C 62 65.760 65.760 62.198 3.562 17668 308 1 . 1 1 57 57 ILE CB C 62 38.251 38.251 38.204 0.047 17668 309 1 . 1 1 57 57 ILE H H 62 7.259 7.259 7.451 -0.192 17668 310 1 . 1 1 58 58 GLN N N 63 117.539 117.539 121.171 -3.632 17668 311 1 . 1 1 58 58 GLN HA H 63 3.602 3.602 3.851 -0.249 17668 312 1 . 1 1 58 58 GLN C C 63 179.172 179.172 178.128 1.044 17668 313 1 . 1 1 58 58 GLN CA C 63 59.755 59.755 59.859 -0.104 17668 314 1 . 1 1 58 58 GLN CB C 63 27.734 27.734 28.546 -0.812 17668 315 1 . 1 1 58 58 GLN H H 63 7.976 7.976 8.586 -0.610 17668 316 1 . 1 1 59 59 GLU N N 64 119.180 119.180 117.830 1.350 17668 317 1 . 1 1 59 59 GLU HA H 64 3.874 3.874 4.042 -0.168 17668 318 1 . 1 1 59 59 GLU C C 64 179.866 179.866 178.710 1.156 17668 319 1 . 1 1 59 59 GLU CA C 64 59.259 59.259 58.920 0.339 17668 320 1 . 1 1 59 59 GLU CB C 64 29.700 29.700 29.220 0.480 17668 321 1 . 1 1 59 59 GLU H H 64 8.622 8.622 8.080 0.542 17668 322 1 . 1 1 60 60 ARG N N 65 119.727 119.727 119.585 0.142 17668 323 1 . 1 1 60 60 ARG HA H 65 4.093 4.093 4.233 -0.140 17668 324 1 . 1 1 60 60 ARG C C 65 178.310 178.310 178.326 -0.016 17668 325 1 . 1 1 60 60 ARG CA C 65 57.256 57.256 58.015 -0.759 17668 326 1 . 1 1 60 60 ARG CB C 65 28.748 28.748 30.118 -1.370 17668 327 1 . 1 1 60 60 ARG H H 65 7.891 7.891 7.636 0.256 17668 328 1 . 1 1 61 61 ILE N N 66 118.086 118.086 119.938 -1.852 17668 329 1 . 1 1 61 61 ILE HA H 66 3.547 3.547 3.817 -0.270 17668 330 1 . 1 1 61 61 ILE C C 66 178.311 178.311 177.516 0.795 17668 331 1 . 1 1 61 61 ILE CA C 66 64.745 64.745 65.141 -0.396 17668 332 1 . 1 1 61 61 ILE CB C 66 37.681 37.681 38.092 -0.411 17668 333 1 . 1 1 61 61 ILE H H 66 7.443 7.443 8.104 -0.661 17668 334 1 . 1 1 62 62 ALA N N 67 121.914 121.914 121.894 0.020 17668 335 1 . 1 1 62 62 ALA HA H 67 4.529 4.529 4.476 0.053 17668 336 1 . 1 1 62 62 ALA C C 67 182.626 182.626 179.627 2.999 17668 337 1 . 1 1 62 62 ALA CA C 67 54.250 54.250 54.515 -0.266 17668 338 1 . 1 1 62 62 ALA CB C 67 17.735 17.735 18.498 -0.763 17668 339 1 . 1 1 62 62 ALA H H 67 8.116 8.116 8.395 -0.279 17668 340 1 . 1 1 63 63 ALA N N 68 121.367 121.367 121.095 0.272 17668 341 1 . 1 1 63 63 ALA HA H 68 4.012 4.012 4.184 -0.172 17668 342 1 . 1 1 63 63 ALA C C 68 179.690 179.690 179.017 0.673 17668 343 1 . 1 1 63 63 ALA CA C 68 54.259 54.259 54.126 0.133 17668 344 1 . 1 1 63 63 ALA CB C 68 18.221 18.221 18.587 -0.366 17668 345 1 . 1 1 63 63 ALA H H 68 7.948 7.948 7.664 0.284 17668 346 1 . 1 1 64 64 LEU N N 69 116.445 116.445 116.956 -0.511 17668 347 1 . 1 1 64 64 LEU HA H 69 4.147 4.147 4.166 -0.019 17668 348 1 . 1 1 64 64 LEU C C 69 176.931 176.931 177.169 -0.238 17668 349 1 . 1 1 64 64 LEU CA C 69 55.245 55.245 55.092 0.153 17668 350 1 . 1 1 64 64 LEU CB C 69 43.241 43.241 41.566 1.675 17668 351 1 . 1 1 64 64 LEU H H 69 7.247 7.247 7.741 -0.494 17668 352 1 . 1 1 65 65 GLY N N 70 103.867 103.867 104.600 -0.733 17668 353 1 . 1 1 65 65 GLY C C 70 173.651 173.651 174.099 -0.448 17668 354 1 . 1 1 65 65 GLY CA C 70 44.472 44.472 44.701 -0.229 17668 355 1 . 1 1 65 65 GLY H H 70 7.668 7.668 7.502 0.166 17668 356 1 . 1 1 66 66 TYR N N 71 119.180 119.180 119.172 0.008 17668 357 1 . 1 1 66 66 TYR C C 71 174.513 174.513 175.009 -0.496 17668 358 1 . 1 1 66 66 TYR CA C 71 57.020 57.020 56.302 0.718 17668 359 1 . 1 1 66 66 TYR CB C 71 39.502 39.502 40.237 -0.735 17668 360 1 . 1 1 66 66 TYR H H 71 6.798 6.798 7.679 -0.881 17668 361 1 . 1 1 67 67 THR N N 72 109.883 109.883 112.266 -2.383 17668 362 1 . 1 1 67 67 THR C C 72 173.998 173.998 173.186 0.812 17668 363 1 . 1 1 67 67 THR CA C 72 60.249 60.249 61.107 -0.858 17668 364 1 . 1 1 67 67 THR CB C 72 71.254 71.254 70.947 0.307 17668 365 1 . 1 1 67 67 THR H H 72 8.144 8.144 8.368 -0.224 17668 366 1 . 1 1 68 68 LEU N N 73 122.461 122.461 120.809 1.652 17668 367 1 . 1 1 68 68 LEU HA H 73 5.046 5.046 5.064 -0.018 17668 368 1 . 1 1 68 68 LEU C C 73 174.168 174.168 175.354 -1.186 17668 369 1 . 1 1 68 68 LEU CA C 73 53.252 53.252 53.722 -0.470 17668 370 1 . 1 1 68 68 LEU CB C 73 43.743 43.743 45.088 -1.345 17668 371 1 . 1 1 68 68 LEU H H 73 8.397 8.397 8.530 -0.133 17668 372 1 . 1 1 69 69 ALA N N 74 125.195 125.195 124.230 0.965 17668 373 1 . 1 1 69 69 ALA HA H 74 4.338 4.338 4.684 -0.346 17668 374 1 . 1 1 69 69 ALA C C 74 176.931 176.931 175.550 1.381 17668 375 1 . 1 1 69 69 ALA CA C 74 55.254 55.254 51.780 3.474 17668 376 1 . 1 1 69 69 ALA CB C 74 18.225 18.225 21.180 -2.955 17668 377 1 . 1 1 69 69 ALA H H 74 8.200 8.200 8.701 -0.501 17668 378 1 . 1 1 70 70 GLU N N 75 120.820 120.820 123.586 -2.766 17668 379 1 . 1 1 70 70 GLU HA H 75 4.474 4.474 4.740 -0.266 17668 380 1 . 1 1 70 70 GLU CA C 75 54.458 54.458 52.438 2.020 17668 381 1 . 1 1 70 70 GLU CB C 75 29.591 29.591 31.206 -1.615 17668 382 1 . 1 1 70 70 GLU H H 75 8.397 8.397 8.635 -0.238 17668 stop_ save_