data_18824 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18824 _Entry.PDB_ID 2M0T 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 18824 _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 5 5 ILE N N 5 119.691 119.691 121.201 -1.510 18824 2 1 1 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.325 -0.267 18824 3 1 1 . 1 1 5 5 ILE C C 5 175.649 175.649 175.544 0.105 18824 4 1 1 . 1 1 5 5 ILE CA C 5 60.596 60.596 60.237 0.359 18824 5 1 1 . 1 1 5 5 ILE CB C 5 38.674 38.674 39.330 -0.656 18824 6 1 1 . 1 1 5 5 ILE H H 5 8.370 8.370 8.219 0.151 18824 7 1 1 . 1 1 6 6 ASP N N 6 126.564 126.564 128.418 -1.854 18824 8 1 1 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.795 -0.105 18824 9 1 1 . 1 1 6 6 ASP CA C 6 52.261 52.261 52.858 -0.597 18824 10 1 1 . 1 1 6 6 ASP CB C 6 40.555 40.555 41.660 -1.105 18824 11 1 1 . 1 1 6 6 ASP H H 6 8.373 8.373 8.558 -0.185 18824 12 1 1 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.170 -0.010 18824 13 1 1 . 1 1 7 7 PRO C C 7 176.417 176.417 175.459 0.958 18824 14 1 1 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.784 -0.733 18824 15 1 1 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.057 -0.377 18824 16 1 1 . 1 1 8 8 PHE N N 8 117.858 117.858 114.875 2.983 18824 17 1 1 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.662 -0.118 18824 18 1 1 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.165 0.088 18824 19 1 1 . 1 1 8 8 PHE CB C 8 38.444 38.444 41.692 -3.248 18824 20 1 1 . 1 1 8 8 PHE H H 8 7.974 7.974 7.501 0.473 18824 21 1 1 . 1 1 9 9 THR N N 9 112.459 112.459 118.509 -6.050 18824 22 1 1 . 1 1 9 9 THR HA H 9 4.338 4.338 4.433 -0.095 18824 23 1 1 . 1 1 9 9 THR C C 9 175.888 175.888 173.371 2.517 18824 24 1 1 . 1 1 9 9 THR CA C 9 60.827 60.827 62.550 -1.723 18824 25 1 1 . 1 1 9 9 THR CB C 9 69.387 69.387 69.641 -0.254 18824 26 1 1 . 1 1 9 9 THR H H 9 7.927 7.927 8.464 -0.537 18824 27 1 1 . 1 1 10 10 MET N N 10 121.338 121.338 123.494 -2.156 18824 28 1 1 . 1 1 10 10 MET HA H 10 4.310 4.310 4.184 0.126 18824 29 1 1 . 1 1 10 10 MET C C 10 174.386 174.386 174.853 -0.467 18824 30 1 1 . 1 1 10 10 MET CA C 10 52.415 52.415 55.261 -2.846 18824 31 1 1 . 1 1 10 10 MET H H 10 7.648 7.648 8.627 -0.979 18824 32 1 1 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.706 -0.016 18824 33 1 1 . 1 1 11 11 LEU CA C 11 52.606 52.606 51.993 0.613 18824 34 1 1 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.090 3.989 18824 35 1 1 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.577 0.040 18824 36 1 1 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.772 -0.507 18824 37 1 1 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.634 -0.808 18824 38 1 1 . 1 1 13 13 ARG N N 13 118.005 118.005 120.785 -2.780 18824 39 1 1 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.559 -0.175 18824 40 1 1 . 1 1 13 13 ARG C C 13 173.498 173.498 174.381 -0.883 18824 41 1 1 . 1 1 13 13 ARG CA C 13 54.675 54.675 55.313 -0.638 18824 42 1 1 . 1 1 13 13 ARG CB C 13 32.565 32.565 33.784 -1.219 18824 43 1 1 . 1 1 13 13 ARG H H 13 8.484 8.484 8.757 -0.273 18824 44 1 1 . 1 1 14 14 LEU N N 14 124.897 124.897 128.395 -3.498 18824 45 1 1 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.563 0.305 18824 46 1 1 . 1 1 14 14 LEU C C 14 176.144 176.144 176.062 0.082 18824 47 1 1 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.787 -1.740 18824 48 1 1 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.403 0.554 18824 49 1 1 . 1 1 14 14 LEU H H 14 8.520 8.520 8.632 -0.112 18824 50 1 1 . 1 1 15 15 CYS N N 15 127.167 127.167 127.737 -0.570 18824 51 1 1 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.631 -0.040 18824 52 1 1 . 1 1 15 15 CYS C C 15 173.408 173.408 173.945 -0.537 18824 53 1 1 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.452 -0.998 18824 54 1 1 . 1 1 15 15 CYS CB C 15 29.325 29.325 27.420 1.905 18824 55 1 1 . 1 1 15 15 CYS H H 15 9.247 9.247 9.304 -0.057 18824 56 1 1 . 1 1 16 16 CYS N N 16 125.133 125.133 126.544 -1.411 18824 57 1 1 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.091 -0.355 18824 58 1 1 . 1 1 16 16 CYS C C 16 172.784 172.784 174.107 -1.323 18824 59 1 1 . 1 1 16 16 CYS CA C 16 58.040 58.040 58.719 -0.679 18824 60 1 1 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.272 -0.030 18824 61 1 1 . 1 1 16 16 CYS H H 16 9.049 9.049 9.095 -0.046 18824 62 1 1 . 1 1 17 17 LEU N N 17 124.624 124.624 122.357 2.267 18824 63 1 1 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.990 -0.338 18824 64 1 1 . 1 1 17 17 LEU C C 17 175.672 175.672 174.973 0.699 18824 65 1 1 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.113 2.111 18824 66 1 1 . 1 1 17 17 LEU CB C 17 44.042 44.042 45.006 -0.964 18824 67 1 1 . 1 1 17 17 LEU H H 17 8.750 8.750 8.470 0.280 18824 68 1 1 . 1 1 18 18 GLU N N 18 121.610 121.610 119.604 2.006 18824 69 1 1 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.634 0.126 18824 70 1 1 . 1 1 18 18 GLU C C 18 175.548 175.548 175.823 -0.275 18824 71 1 1 . 1 1 18 18 GLU CA C 18 54.861 54.861 55.123 -0.262 18824 72 1 1 . 1 1 18 18 GLU CB C 18 31.312 31.312 32.061 -0.749 18824 73 1 1 . 1 1 18 18 GLU H H 18 8.304 8.304 8.504 -0.200 18824 74 1 1 . 1 1 19 19 LYS N N 19 123.922 123.922 124.531 -0.609 18824 75 1 1 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.717 -0.607 18824 76 1 1 . 1 1 19 19 LYS C C 19 176.635 176.635 176.181 0.454 18824 77 1 1 . 1 1 19 19 LYS CA C 19 58.488 58.488 55.976 2.512 18824 78 1 1 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.557 -0.232 18824 79 1 1 . 1 1 19 19 LYS H H 19 8.131 8.131 8.507 -0.376 18824 80 1 1 . 1 1 20 20 GLY N N 20 112.282 112.282 114.603 -2.321 18824 81 1 1 . 1 1 20 20 GLY CA C 20 44.045 44.045 44.017 0.028 18824 82 1 1 . 1 1 20 20 GLY H H 20 6.955 6.955 8.934 -1.979 18824 83 1 1 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.359 -0.182 18824 84 1 1 . 1 1 21 21 PRO C C 21 177.081 177.081 176.055 1.026 18824 85 1 1 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.853 -0.531 18824 86 1 1 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.601 -0.020 18824 87 1 1 . 1 1 22 22 ASN N N 22 114.637 114.637 115.322 -0.685 18824 88 1 1 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.764 0.155 18824 89 1 1 . 1 1 22 22 ASN C C 22 175.102 175.102 175.713 -0.611 18824 90 1 1 . 1 1 22 22 ASN CA C 22 51.618 51.618 51.482 0.136 18824 91 1 1 . 1 1 22 22 ASN CB C 22 38.930 38.930 37.897 1.033 18824 92 1 1 . 1 1 22 22 ASN H H 22 8.462 8.462 7.705 0.757 18824 93 1 1 . 1 1 23 23 GLY N N 23 107.193 107.193 109.040 -1.847 18824 94 1 1 . 1 1 23 23 GLY C C 23 174.932 174.932 173.914 1.018 18824 95 1 1 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.882 -1.456 18824 96 1 1 . 1 1 23 23 GLY H H 23 7.499 7.499 7.761 -0.262 18824 97 1 1 . 1 1 24 24 TYR N N 24 119.910 119.910 124.183 -4.273 18824 98 1 1 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.949 -0.640 18824 99 1 1 . 1 1 24 24 TYR C C 24 177.188 177.188 176.275 0.913 18824 100 1 1 . 1 1 24 24 TYR CA C 24 60.745 60.745 57.260 3.485 18824 101 1 1 . 1 1 24 24 TYR CB C 24 40.447 40.447 40.254 0.193 18824 102 1 1 . 1 1 24 24 TYR H H 24 8.894 8.894 8.429 0.465 18824 103 1 1 . 1 1 25 25 GLY N N 25 104.016 104.016 106.676 -2.660 18824 104 1 1 . 1 1 25 25 GLY C C 25 173.020 173.020 173.039 -0.019 18824 105 1 1 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.596 -0.075 18824 106 1 1 . 1 1 25 25 GLY H H 25 8.394 8.394 7.890 0.504 18824 107 1 1 . 1 1 26 26 PHE N N 26 110.891 110.891 117.101 -6.210 18824 108 1 1 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.823 -0.184 18824 109 1 1 . 1 1 26 26 PHE C C 26 172.250 172.250 173.712 -1.462 18824 110 1 1 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.353 -0.247 18824 111 1 1 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.999 -0.309 18824 112 1 1 . 1 1 26 26 PHE H H 26 6.711 6.711 7.522 -0.811 18824 113 1 1 . 1 1 27 27 HIS N N 27 118.261 118.261 120.748 -2.487 18824 114 1 1 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.788 -0.004 18824 115 1 1 . 1 1 27 27 HIS C C 27 174.659 174.659 173.463 1.196 18824 116 1 1 . 1 1 27 27 HIS CA C 27 54.557 54.557 54.940 -0.383 18824 117 1 1 . 1 1 27 27 HIS CB C 27 32.844 32.844 32.599 0.245 18824 118 1 1 . 1 1 27 27 HIS H H 27 7.964 7.964 9.283 -1.319 18824 119 1 1 . 1 1 28 28 LEU N N 28 125.694 125.694 126.968 -1.274 18824 120 1 1 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.248 0.237 18824 121 1 1 . 1 1 28 28 LEU C C 28 176.849 176.849 175.627 1.222 18824 122 1 1 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.634 0.029 18824 123 1 1 . 1 1 28 28 LEU CB C 28 45.031 45.031 44.825 0.206 18824 124 1 1 . 1 1 28 28 LEU H H 28 9.554 9.554 8.698 0.856 18824 125 1 1 . 1 1 29 29 HIS N N 29 119.263 119.263 122.827 -3.564 18824 126 1 1 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.092 -0.331 18824 127 1 1 . 1 1 29 29 HIS C C 29 173.447 173.447 173.539 -0.092 18824 128 1 1 . 1 1 29 29 HIS CA C 29 55.791 55.791 54.219 1.572 18824 129 1 1 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.322 -0.486 18824 130 1 1 . 1 1 29 29 HIS H H 29 9.625 9.625 9.372 0.253 18824 131 1 1 . 1 1 30 30 GLY N N 30 110.254 110.254 108.929 1.325 18824 132 1 1 . 1 1 30 30 GLY C C 30 172.917 172.917 173.734 -0.817 18824 133 1 1 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.159 -0.176 18824 134 1 1 . 1 1 30 30 GLY H H 30 8.403 8.403 8.553 -0.150 18824 135 1 1 . 1 1 31 31 GLU N N 31 119.753 119.753 124.371 -4.618 18824 136 1 1 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.253 0.030 18824 137 1 1 . 1 1 31 31 GLU C C 31 175.939 175.939 176.840 -0.901 18824 138 1 1 . 1 1 31 31 GLU CA C 31 54.431 54.431 56.331 -1.900 18824 139 1 1 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.861 1.482 18824 140 1 1 . 1 1 31 31 GLU H H 31 9.060 9.060 8.385 0.675 18824 141 1 1 . 1 1 32 32 LYS N N 32 124.046 124.046 125.441 -1.395 18824 142 1 1 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.007 -0.093 18824 143 1 1 . 1 1 32 32 LYS C C 32 177.776 177.776 177.598 0.178 18824 144 1 1 . 1 1 32 32 LYS CA C 32 57.714 57.714 57.967 -0.253 18824 145 1 1 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.864 -1.034 18824 146 1 1 . 1 1 32 32 LYS H H 32 8.424 8.424 8.681 -0.257 18824 147 1 1 . 1 1 33 33 GLY N N 33 113.177 113.177 111.306 1.871 18824 148 1 1 . 1 1 33 33 GLY C C 33 173.408 173.408 174.474 -1.066 18824 149 1 1 . 1 1 33 33 GLY CA C 33 45.033 45.033 45.221 -0.188 18824 150 1 1 . 1 1 33 33 GLY H H 33 8.856 8.856 8.579 0.277 18824 151 1 1 . 1 1 34 34 LYS N N 34 118.719 118.719 121.083 -2.364 18824 152 1 1 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.480 0.160 18824 153 1 1 . 1 1 34 34 LYS C C 34 176.528 176.528 176.184 0.344 18824 154 1 1 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.842 -1.285 18824 155 1 1 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.232 1.631 18824 156 1 1 . 1 1 34 34 LYS H H 34 7.790 7.790 7.526 0.264 18824 157 1 1 . 1 1 35 35 LEU N N 35 124.084 124.084 116.719 7.365 18824 158 1 1 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.804 -0.319 18824 159 1 1 . 1 1 35 35 LEU C C 35 177.646 177.646 175.054 2.592 18824 160 1 1 . 1 1 35 35 LEU CA C 35 54.662 54.662 53.592 1.070 18824 161 1 1 . 1 1 35 35 LEU CB C 35 42.676 42.676 41.566 1.110 18824 162 1 1 . 1 1 35 35 LEU H H 35 8.759 8.759 8.588 0.171 18824 163 1 1 . 1 1 36 36 GLY N N 36 110.962 110.962 106.239 4.723 18824 164 1 1 . 1 1 36 36 GLY C C 36 173.070 173.070 172.606 0.464 18824 165 1 1 . 1 1 36 36 GLY CA C 36 44.526 44.526 44.401 0.125 18824 166 1 1 . 1 1 36 36 GLY H H 36 8.533 8.533 7.686 0.847 18824 167 1 1 . 1 1 37 37 GLN N N 37 117.136 117.136 118.391 -1.255 18824 168 1 1 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.897 -0.408 18824 169 1 1 . 1 1 37 37 GLN C C 37 173.925 173.925 174.788 -0.863 18824 170 1 1 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.725 0.081 18824 171 1 1 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.357 0.486 18824 172 1 1 . 1 1 37 37 GLN H H 37 8.885 8.885 8.337 0.548 18824 173 1 1 . 1 1 38 38 TYR N N 38 119.053 119.053 119.310 -0.257 18824 174 1 1 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.215 -0.020 18824 175 1 1 . 1 1 38 38 TYR C C 38 176.110 176.110 175.492 0.618 18824 176 1 1 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.312 -1.082 18824 177 1 1 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.763 -0.781 18824 178 1 1 . 1 1 38 38 TYR H H 38 8.719 8.719 9.323 -0.604 18824 179 1 1 . 1 1 39 39 ILE N N 39 120.624 120.624 122.519 -1.895 18824 180 1 1 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.334 -0.084 18824 181 1 1 . 1 1 39 39 ILE C C 39 175.797 175.797 176.869 -1.072 18824 182 1 1 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.136 -1.905 18824 183 1 1 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.016 -0.622 18824 184 1 1 . 1 1 39 39 ILE H H 39 9.208 9.208 8.546 0.662 18824 185 1 1 . 1 1 40 40 ARG N N 40 130.372 130.372 128.259 2.113 18824 186 1 1 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.345 -0.258 18824 187 1 1 . 1 1 40 40 ARG C C 40 174.846 174.846 175.693 -0.847 18824 188 1 1 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.598 0.012 18824 189 1 1 . 1 1 40 40 ARG CB C 40 31.315 31.315 31.666 -0.351 18824 190 1 1 . 1 1 40 40 ARG H H 40 9.240 9.240 9.153 0.087 18824 191 1 1 . 1 1 41 41 LEU N N 41 116.642 116.642 118.517 -1.875 18824 192 1 1 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.635 -0.277 18824 193 1 1 . 1 1 41 41 LEU C C 41 173.658 173.658 174.351 -0.693 18824 194 1 1 . 1 1 41 41 LEU CA C 41 54.685 54.685 55.003 -0.318 18824 195 1 1 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.644 -0.429 18824 196 1 1 . 1 1 41 41 LEU H H 41 7.130 7.130 7.774 -0.644 18824 197 1 1 . 1 1 42 42 VAL N N 42 125.934 125.934 123.449 2.485 18824 198 1 1 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.658 -0.303 18824 199 1 1 . 1 1 42 42 VAL C C 42 175.548 175.548 175.698 -0.150 18824 200 1 1 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.659 0.594 18824 201 1 1 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.181 0.042 18824 202 1 1 . 1 1 42 42 VAL H H 42 8.731 8.731 8.363 0.368 18824 203 1 1 . 1 1 43 43 GLU N N 43 128.285 128.285 128.778 -0.493 18824 204 1 1 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.570 -0.249 18824 205 1 1 . 1 1 43 43 GLU CA C 43 54.660 54.660 53.958 0.702 18824 206 1 1 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.646 -0.917 18824 207 1 1 . 1 1 43 43 GLU H H 43 9.102 9.102 8.957 0.145 18824 208 1 1 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.481 -0.041 18824 209 1 1 . 1 1 44 44 PRO C C 44 178.222 178.222 177.562 0.660 18824 210 1 1 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.703 -0.405 18824 211 1 1 . 1 1 44 44 PRO CB C 44 31.388 31.388 31.028 0.360 18824 212 1 1 . 1 1 45 45 GLY N N 45 113.166 113.166 114.310 -1.144 18824 213 1 1 . 1 1 45 45 GLY C C 45 173.515 173.515 174.172 -0.657 18824 214 1 1 . 1 1 45 45 GLY CA C 45 45.525 45.525 44.887 0.638 18824 215 1 1 . 1 1 45 45 GLY H H 45 9.416 9.416 9.837 -0.421 18824 216 1 1 . 1 1 46 46 SER N N 46 114.219 114.219 116.960 -2.741 18824 217 1 1 . 1 1 46 46 SER HA H 46 4.670 4.670 5.032 -0.362 18824 218 1 1 . 1 1 46 46 SER CA C 46 57.103 57.103 56.037 1.066 18824 219 1 1 . 1 1 46 46 SER CB C 46 64.458 64.458 64.840 -0.382 18824 220 1 1 . 1 1 46 46 SER H H 46 7.422 7.422 7.794 -0.372 18824 221 1 1 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.369 -0.082 18824 222 1 1 . 1 1 47 47 PRO C C 47 179.487 179.487 177.864 1.623 18824 223 1 1 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.607 0.730 18824 224 1 1 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.632 0.707 18824 225 1 1 . 1 1 48 48 ALA N N 48 116.941 116.941 122.351 -5.410 18824 226 1 1 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.966 -0.158 18824 227 1 1 . 1 1 48 48 ALA C C 48 177.063 177.063 179.242 -2.179 18824 228 1 1 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.322 -0.212 18824 229 1 1 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.331 1.843 18824 230 1 1 . 1 1 48 48 ALA H H 48 7.855 7.855 7.836 0.019 18824 231 1 1 . 1 1 49 49 GLU N N 49 120.064 120.064 117.666 2.398 18824 232 1 1 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.006 -0.152 18824 233 1 1 . 1 1 49 49 GLU C C 49 181.038 181.038 178.832 2.206 18824 234 1 1 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.849 0.332 18824 235 1 1 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.553 0.117 18824 236 1 1 . 1 1 49 49 GLU H H 49 7.732 7.732 7.994 -0.262 18824 237 1 1 . 1 1 50 50 LYS N N 50 120.570 120.570 118.021 2.549 18824 238 1 1 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.121 -0.197 18824 239 1 1 . 1 1 50 50 LYS C C 50 177.580 177.580 178.007 -0.427 18824 240 1 1 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.320 0.460 18824 241 1 1 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.250 -0.446 18824 242 1 1 . 1 1 50 50 LYS H H 50 8.156 8.156 7.466 0.690 18824 243 1 1 . 1 1 51 51 ALA N N 51 117.482 117.482 118.161 -0.679 18824 244 1 1 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.247 0.061 18824 245 1 1 . 1 1 51 51 ALA C C 51 177.509 177.509 176.883 0.626 18824 246 1 1 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.470 -0.352 18824 247 1 1 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.849 0.346 18824 248 1 1 . 1 1 51 51 ALA H H 51 7.730 7.730 7.565 0.165 18824 249 1 1 . 1 1 52 52 GLY N N 52 103.549 103.549 105.090 -1.541 18824 250 1 1 . 1 1 52 52 GLY C C 52 174.888 174.888 173.693 1.195 18824 251 1 1 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.787 0.236 18824 252 1 1 . 1 1 52 52 GLY H H 52 7.513 7.513 7.480 0.033 18824 253 1 1 . 1 1 53 53 LEU N N 53 120.806 120.806 121.013 -0.207 18824 254 1 1 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.490 -0.634 18824 255 1 1 . 1 1 53 53 LEU C C 53 174.692 174.692 175.432 -0.740 18824 256 1 1 . 1 1 53 53 LEU CA C 53 55.190 55.190 54.408 0.782 18824 257 1 1 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.534 0.460 18824 258 1 1 . 1 1 53 53 LEU H H 53 7.420 7.420 7.813 -0.393 18824 259 1 1 . 1 1 54 54 LEU N N 54 122.726 122.726 124.764 -2.038 18824 260 1 1 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.803 -0.297 18824 261 1 1 . 1 1 54 54 LEU C C 54 176.350 176.350 175.098 1.252 18824 262 1 1 . 1 1 54 54 LEU CA C 54 52.981 52.981 53.407 -0.426 18824 263 1 1 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.755 -1.191 18824 264 1 1 . 1 1 54 54 LEU H H 54 8.546 8.546 8.758 -0.212 18824 265 1 1 . 1 1 55 55 ALA N N 55 122.735 122.735 127.639 -4.904 18824 266 1 1 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.393 -0.662 18824 267 1 1 . 1 1 55 55 ALA C C 55 179.077 179.077 177.382 1.695 18824 268 1 1 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.265 -0.265 18824 269 1 1 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.605 -0.537 18824 270 1 1 . 1 1 55 55 ALA H H 55 8.551 8.551 8.674 -0.123 18824 271 1 1 . 1 1 56 56 GLY N N 56 112.553 112.553 112.179 0.374 18824 272 1 1 . 1 1 56 56 GLY C C 56 174.638 174.638 174.179 0.459 18824 273 1 1 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.064 -0.583 18824 274 1 1 . 1 1 56 56 GLY H H 56 9.450 9.450 8.193 1.257 18824 275 1 1 . 1 1 57 57 ASP N N 57 121.912 121.912 124.333 -2.421 18824 276 1 1 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.555 -0.008 18824 277 1 1 . 1 1 57 57 ASP C C 57 174.539 174.539 174.971 -0.432 18824 278 1 1 . 1 1 57 57 ASP CA C 57 55.157 55.157 55.407 -0.250 18824 279 1 1 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.285 0.199 18824 280 1 1 . 1 1 57 57 ASP H H 57 7.948 7.948 8.140 -0.192 18824 281 1 1 . 1 1 58 58 ARG N N 58 122.512 122.512 123.354 -0.842 18824 282 1 1 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.577 -0.596 18824 283 1 1 . 1 1 58 58 ARG C C 58 175.512 175.512 174.945 0.567 18824 284 1 1 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.932 -0.763 18824 285 1 1 . 1 1 58 58 ARG CB C 58 32.435 32.435 31.803 0.632 18824 286 1 1 . 1 1 58 58 ARG H H 58 8.570 8.570 8.416 0.154 18824 287 1 1 . 1 1 59 59 LEU N N 59 126.506 126.506 127.559 -1.053 18824 288 1 1 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.378 -0.319 18824 289 1 1 . 1 1 59 59 LEU C C 59 174.420 174.420 175.422 -1.002 18824 290 1 1 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.424 -0.245 18824 291 1 1 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.227 0.248 18824 292 1 1 . 1 1 59 59 LEU H H 59 7.917 7.917 8.591 -0.674 18824 293 1 1 . 1 1 60 60 VAL N N 60 124.914 124.914 126.716 -1.802 18824 294 1 1 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.049 -0.139 18824 295 1 1 . 1 1 60 60 VAL CA C 60 63.788 63.788 64.156 -0.368 18824 296 1 1 . 1 1 60 60 VAL CB C 60 32.805 32.805 33.120 -0.315 18824 297 1 1 . 1 1 60 60 VAL H H 60 8.781 8.781 9.232 -0.451 18824 298 1 1 . 1 1 61 61 GLU N N 61 112.868 112.868 118.126 -5.258 18824 299 1 1 . 1 1 61 61 GLU HA H 61 5.212 5.212 4.976 0.236 18824 300 1 1 . 1 1 61 61 GLU C C 61 175.717 175.717 174.328 1.389 18824 301 1 1 . 1 1 61 61 GLU CA C 61 54.186 54.186 55.304 -1.118 18824 302 1 1 . 1 1 61 61 GLU CB C 61 34.458 34.458 33.915 0.543 18824 303 1 1 . 1 1 61 61 GLU H H 61 7.332 7.332 7.673 -0.341 18824 304 1 1 . 1 1 62 62 VAL N N 62 118.357 118.357 124.182 -5.825 18824 305 1 1 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.910 -0.588 18824 306 1 1 . 1 1 62 62 VAL C C 62 175.495 175.495 176.348 -0.853 18824 307 1 1 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.876 -0.126 18824 308 1 1 . 1 1 62 62 VAL CB C 62 33.376 33.376 32.888 0.488 18824 309 1 1 . 1 1 62 62 VAL H H 62 8.342 8.342 8.618 -0.276 18824 310 1 1 . 1 1 63 63 ASN N N 63 129.063 129.063 126.334 2.729 18824 311 1 1 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.285 -0.106 18824 312 1 1 . 1 1 63 63 ASN C C 63 175.051 175.051 175.739 -0.688 18824 313 1 1 . 1 1 63 63 ASN CA C 63 53.644 53.644 56.695 -3.051 18824 314 1 1 . 1 1 63 63 ASN CB C 63 36.328 36.328 38.013 -1.685 18824 315 1 1 . 1 1 63 63 ASN H H 63 9.830 9.830 9.596 0.234 18824 316 1 1 . 1 1 64 64 GLY N N 64 103.346 103.346 104.974 -1.628 18824 317 1 1 . 1 1 64 64 GLY C C 64 173.276 173.276 172.495 0.781 18824 318 1 1 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.376 -0.333 18824 319 1 1 . 1 1 64 64 GLY H H 64 9.222 9.222 8.388 0.834 18824 320 1 1 . 1 1 65 65 GLU N N 65 119.230 119.230 120.112 -0.882 18824 321 1 1 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.610 -0.121 18824 322 1 1 . 1 1 65 65 GLU C C 65 174.745 174.745 175.073 -0.328 18824 323 1 1 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.883 -0.192 18824 324 1 1 . 1 1 65 65 GLU CB C 65 30.802 30.802 33.154 -2.352 18824 325 1 1 . 1 1 65 65 GLU H H 65 7.553 7.553 7.620 -0.067 18824 326 1 1 . 1 1 66 66 ASN N N 66 123.478 123.478 124.062 -0.584 18824 327 1 1 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.565 0.123 18824 328 1 1 . 1 1 66 66 ASN C C 66 176.144 176.144 175.062 1.082 18824 329 1 1 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.486 0.738 18824 330 1 1 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.763 0.826 18824 331 1 1 . 1 1 66 66 ASN H H 66 8.865 8.865 8.927 -0.062 18824 332 1 1 . 1 1 67 67 VAL N N 67 117.695 117.695 118.864 -1.169 18824 333 1 1 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.603 -0.100 18824 334 1 1 . 1 1 67 67 VAL C C 67 177.475 177.475 177.205 0.270 18824 335 1 1 . 1 1 67 67 VAL CA C 67 59.756 59.756 60.313 -0.557 18824 336 1 1 . 1 1 67 67 VAL CB C 67 31.321 31.321 32.423 -1.102 18824 337 1 1 . 1 1 67 67 VAL H H 67 8.210 8.210 8.663 -0.453 18824 338 1 1 . 1 1 68 68 GLU N N 68 122.899 122.899 123.942 -1.043 18824 339 1 1 . 1 1 68 68 GLU HA H 68 3.921 3.921 3.999 -0.078 18824 340 1 1 . 1 1 68 68 GLU C C 68 177.348 177.348 177.632 -0.284 18824 341 1 1 . 1 1 68 68 GLU CA C 68 59.762 59.762 60.238 -0.476 18824 342 1 1 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.649 1.561 18824 343 1 1 . 1 1 68 68 GLU H H 68 8.427 8.427 7.924 0.503 18824 344 1 1 . 1 1 69 69 LYS N N 69 113.848 113.848 113.142 0.706 18824 345 1 1 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.866 -0.452 18824 346 1 1 . 1 1 69 69 LYS C C 69 176.510 176.510 176.253 0.257 18824 347 1 1 . 1 1 69 69 LYS CA C 69 54.675 54.675 54.237 0.438 18824 348 1 1 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.245 -0.483 18824 349 1 1 . 1 1 69 69 LYS H H 69 8.576 8.576 8.124 0.452 18824 350 1 1 . 1 1 70 70 GLU N N 70 119.980 119.980 121.178 -1.198 18824 351 1 1 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.481 -0.120 18824 352 1 1 . 1 1 70 70 GLU C C 70 176.831 176.831 176.084 0.747 18824 353 1 1 . 1 1 70 70 GLU CA C 70 56.329 56.329 55.666 0.663 18824 354 1 1 . 1 1 70 70 GLU CB C 70 31.293 31.293 30.713 0.580 18824 355 1 1 . 1 1 70 70 GLU H H 70 6.994 6.994 7.393 -0.399 18824 356 1 1 . 1 1 71 71 THR N N 71 110.696 110.696 113.803 -3.107 18824 357 1 1 . 1 1 71 71 THR HA H 71 4.270 4.270 4.421 -0.151 18824 358 1 1 . 1 1 71 71 THR C C 71 174.812 174.812 175.529 -0.717 18824 359 1 1 . 1 1 71 71 THR CA C 71 60.267 60.267 61.396 -1.129 18824 360 1 1 . 1 1 71 71 THR CB C 71 71.497 71.497 70.547 0.950 18824 361 1 1 . 1 1 71 71 THR H H 71 8.675 8.675 8.091 0.584 18824 362 1 1 . 1 1 72 72 HIS N N 72 118.876 118.876 121.752 -2.876 18824 363 1 1 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.365 -0.781 18824 364 1 1 . 1 1 72 72 HIS C C 72 175.802 175.802 177.681 -1.879 18824 365 1 1 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.182 -0.465 18824 366 1 1 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.893 -1.609 18824 367 1 1 . 1 1 72 72 HIS H H 72 9.171 9.171 8.809 0.362 18824 368 1 1 . 1 1 73 73 GLN N N 73 115.563 115.563 117.311 -1.748 18824 369 1 1 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.027 -0.258 18824 370 1 1 . 1 1 73 73 GLN C C 73 179.060 179.060 178.598 0.462 18824 371 1 1 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.343 -0.600 18824 372 1 1 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.289 -0.496 18824 373 1 1 . 1 1 73 73 GLN H H 73 8.666 8.666 8.866 -0.200 18824 374 1 1 . 1 1 74 74 GLN N N 74 119.687 119.687 118.748 0.939 18824 375 1 1 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.057 -0.220 18824 376 1 1 . 1 1 74 74 GLN C C 74 179.309 179.309 178.899 0.410 18824 377 1 1 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.747 -0.024 18824 378 1 1 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.959 -0.205 18824 379 1 1 . 1 1 74 74 GLN H H 74 7.614 7.614 7.599 0.015 18824 380 1 1 . 1 1 75 75 VAL N N 75 120.633 120.633 117.926 2.707 18824 381 1 1 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.680 -0.356 18824 382 1 1 . 1 1 75 75 VAL C C 75 178.031 178.031 177.440 0.591 18824 383 1 1 . 1 1 75 75 VAL CA C 75 67.423 67.423 66.151 1.272 18824 384 1 1 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.413 -0.344 18824 385 1 1 . 1 1 75 75 VAL H H 75 8.289 8.289 8.170 0.119 18824 386 1 1 . 1 1 76 76 VAL N N 76 118.966 118.966 121.547 -2.581 18824 387 1 1 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.456 -0.128 18824 388 1 1 . 1 1 76 76 VAL C C 76 178.739 178.739 178.064 0.675 18824 389 1 1 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.943 -0.084 18824 390 1 1 . 1 1 76 76 VAL CB C 76 30.847 30.847 30.895 -0.048 18824 391 1 1 . 1 1 76 76 VAL H H 76 8.364 8.364 7.957 0.407 18824 392 1 1 . 1 1 77 77 SER N N 77 115.158 115.158 115.447 -0.289 18824 393 1 1 . 1 1 77 77 SER HA H 77 3.994 3.994 4.105 -0.111 18824 394 1 1 . 1 1 77 77 SER C C 77 176.849 176.849 176.621 0.228 18824 395 1 1 . 1 1 77 77 SER CA C 77 62.162 62.162 62.118 0.044 18824 396 1 1 . 1 1 77 77 SER CB C 77 62.232 62.232 62.886 -0.655 18824 397 1 1 . 1 1 77 77 SER H H 77 7.871 7.871 7.868 0.003 18824 398 1 1 . 1 1 78 78 ARG N N 78 121.310 121.310 121.101 0.209 18824 399 1 1 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.083 -0.161 18824 400 1 1 . 1 1 78 78 ARG C C 78 179.309 179.309 179.262 0.047 18824 401 1 1 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.956 -0.207 18824 402 1 1 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.186 0.093 18824 403 1 1 . 1 1 78 78 ARG H H 78 7.469 7.469 7.381 0.088 18824 404 1 1 . 1 1 79 79 ILE N N 79 119.383 119.383 121.763 -2.380 18824 405 1 1 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.679 -0.276 18824 406 1 1 . 1 1 79 79 ILE C C 79 178.364 178.364 178.058 0.306 18824 407 1 1 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.759 -0.469 18824 408 1 1 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.469 -0.245 18824 409 1 1 . 1 1 79 79 ILE H H 79 7.759 7.759 8.449 -0.690 18824 410 1 1 . 1 1 80 80 ARG N N 80 119.497 119.497 118.240 1.257 18824 411 1 1 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.098 -0.120 18824 412 1 1 . 1 1 80 80 ARG C C 80 177.544 177.544 177.166 0.378 18824 413 1 1 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.348 1.382 18824 414 1 1 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.028 0.800 18824 415 1 1 . 1 1 80 80 ARG H H 80 8.407 8.407 8.048 0.359 18824 416 1 1 . 1 1 81 81 ALA N N 81 118.814 118.814 119.743 -0.929 18824 417 1 1 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.308 -0.247 18824 418 1 1 . 1 1 81 81 ALA C C 81 177.473 177.473 177.381 0.092 18824 419 1 1 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.253 0.553 18824 420 1 1 . 1 1 81 81 ALA CB C 81 18.604 18.604 19.063 -0.459 18824 421 1 1 . 1 1 81 81 ALA H H 81 7.392 7.392 7.370 0.022 18824 422 1 1 . 1 1 82 82 ALA N N 82 121.771 121.771 121.419 0.352 18824 423 1 1 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.272 0.038 18824 424 1 1 . 1 1 82 82 ALA C C 82 177.384 177.384 177.526 -0.142 18824 425 1 1 . 1 1 82 82 ALA CA C 82 51.604 51.604 51.909 -0.305 18824 426 1 1 . 1 1 82 82 ALA CB C 82 17.591 17.591 18.901 -1.310 18824 427 1 1 . 1 1 82 82 ALA H H 82 7.182 7.182 7.465 -0.283 18824 428 1 1 . 1 1 83 83 LEU N N 83 122.357 122.357 123.289 -0.932 18824 429 1 1 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.024 -0.033 18824 430 1 1 . 1 1 83 83 LEU C C 83 177.366 177.366 177.949 -0.583 18824 431 1 1 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.074 -0.097 18824 432 1 1 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.432 -1.446 18824 433 1 1 . 1 1 83 83 LEU H H 83 8.171 8.171 8.552 -0.381 18824 434 1 1 . 1 1 84 84 ASN N N 84 114.897 114.897 113.780 1.117 18824 435 1 1 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.688 -0.070 18824 436 1 1 . 1 1 84 84 ASN C C 84 173.651 173.651 173.686 -0.035 18824 437 1 1 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.166 1.028 18824 438 1 1 . 1 1 84 84 ASN CB C 84 39.903 39.903 39.054 0.849 18824 439 1 1 . 1 1 84 84 ASN H H 84 8.565 8.565 8.321 0.244 18824 440 1 1 . 1 1 85 85 ALA N N 85 124.026 124.026 121.480 2.546 18824 441 1 1 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.227 -0.156 18824 442 1 1 . 1 1 85 85 ALA C C 85 175.751 175.751 174.671 1.080 18824 443 1 1 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.471 0.639 18824 444 1 1 . 1 1 85 85 ALA CB C 85 21.156 21.156 21.684 -0.528 18824 445 1 1 . 1 1 85 85 ALA H H 85 7.808 7.808 7.448 0.360 18824 446 1 1 . 1 1 86 86 VAL N N 86 116.130 116.130 119.556 -3.426 18824 447 1 1 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.593 -0.001 18824 448 1 1 . 1 1 86 86 VAL C C 86 171.876 171.876 174.158 -2.282 18824 449 1 1 . 1 1 86 86 VAL CA C 86 59.748 59.748 58.898 0.850 18824 450 1 1 . 1 1 86 86 VAL CB C 86 34.893 34.893 35.141 -0.248 18824 451 1 1 . 1 1 86 86 VAL H H 86 8.432 8.432 8.564 -0.132 18824 452 1 1 . 1 1 87 87 ARG N N 87 124.913 124.913 127.175 -2.262 18824 453 1 1 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.759 0.239 18824 454 1 1 . 1 1 87 87 ARG C C 87 175.316 175.316 175.321 -0.005 18824 455 1 1 . 1 1 87 87 ARG CA C 87 53.991 53.991 54.958 -0.967 18824 456 1 1 . 1 1 87 87 ARG CB C 87 31.805 31.805 30.986 0.819 18824 457 1 1 . 1 1 87 87 ARG H H 87 8.255 8.255 8.842 -0.587 18824 458 1 1 . 1 1 88 88 LEU N N 88 125.141 125.141 126.274 -1.133 18824 459 1 1 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.994 -0.044 18824 460 1 1 . 1 1 88 88 LEU C C 88 173.836 173.836 175.143 -1.307 18824 461 1 1 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.461 -1.080 18824 462 1 1 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.050 -0.098 18824 463 1 1 . 1 1 88 88 LEU H H 88 9.041 9.041 9.164 -0.123 18824 464 1 1 . 1 1 89 89 LEU N N 89 126.927 126.927 127.928 -1.001 18824 465 1 1 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.978 0.199 18824 466 1 1 . 1 1 89 89 LEU C C 89 175.726 175.726 175.014 0.712 18824 467 1 1 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.118 0.591 18824 468 1 1 . 1 1 89 89 LEU CB C 89 43.514 43.514 42.458 1.056 18824 469 1 1 . 1 1 89 89 LEU H H 89 8.484 8.484 8.827 -0.343 18824 470 1 1 . 1 1 90 90 VAL N N 90 119.770 119.770 121.556 -1.786 18824 471 1 1 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.493 -0.055 18824 472 1 1 . 1 1 90 90 VAL C C 90 174.157 174.157 173.790 0.367 18824 473 1 1 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.963 -0.992 18824 474 1 1 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.834 1.022 18824 475 1 1 . 1 1 90 90 VAL H H 90 9.001 9.001 8.669 0.332 18824 476 1 1 . 1 1 91 91 VAL N N 91 112.698 112.698 120.363 -7.665 18824 477 1 1 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.489 0.220 18824 478 1 1 . 1 1 91 91 VAL C C 91 173.993 173.993 173.935 0.058 18824 479 1 1 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.617 -0.634 18824 480 1 1 . 1 1 91 91 VAL CB C 91 35.466 35.466 35.623 -0.157 18824 481 1 1 . 1 1 91 91 VAL H H 91 8.011 8.011 7.956 0.055 18824 482 1 1 . 1 1 92 92 ASP N N 92 127.066 127.066 128.546 -1.480 18824 483 1 1 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.861 0.145 18824 484 1 1 . 1 1 92 92 ASP CA C 92 53.078 53.078 55.083 -2.005 18824 485 1 1 . 1 1 92 92 ASP CB C 92 39.764 39.764 40.663 -0.899 18824 486 1 1 . 1 1 92 92 ASP H H 92 7.878 7.878 8.986 -1.108 18824 487 1 1 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.231 0.172 18824 488 1 1 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.842 0.022 18824 489 1 1 . 1 1 93 93 PRO CB C 93 32.221 32.221 32.137 0.084 18824 490 1 1 . 1 1 94 94 GLU N N 94 119.504 119.504 117.191 2.313 18824 491 1 1 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.168 -0.118 18824 492 1 1 . 1 1 94 94 GLU C C 94 179.182 179.182 179.072 0.110 18824 493 1 1 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.487 -0.269 18824 494 1 1 . 1 1 94 94 GLU CB C 94 28.950 28.950 29.169 -0.219 18824 495 1 1 . 1 1 94 94 GLU H H 94 8.156 8.156 8.759 -0.603 18824 496 1 1 . 1 1 95 95 THR N N 95 120.651 120.651 116.519 4.132 18824 497 1 1 . 1 1 95 95 THR HA H 95 3.751 3.751 4.380 -0.629 18824 498 1 1 . 1 1 95 95 THR C C 95 175.888 175.888 176.141 -0.253 18824 499 1 1 . 1 1 95 95 THR CA C 95 65.764 65.764 66.353 -0.589 18824 500 1 1 . 1 1 95 95 THR CB C 95 67.338 67.338 68.593 -1.255 18824 501 1 1 . 1 1 95 95 THR H H 95 8.315 8.315 7.607 0.708 18824 502 1 1 . 1 1 96 96 ASP N N 96 120.554 120.554 121.964 -1.410 18824 503 1 1 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.337 -0.104 18824 504 1 1 . 1 1 96 96 ASP C C 96 178.275 178.275 178.106 0.169 18824 505 1 1 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.813 -1.592 18824 506 1 1 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.983 0.056 18824 507 1 1 . 1 1 96 96 ASP H H 96 8.381 8.381 8.381 -0.000 18824 508 1 1 . 1 1 97 97 GLU N N 97 117.457 117.457 118.926 -1.469 18824 509 1 1 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.977 -0.112 18824 510 1 1 . 1 1 97 97 GLU C C 97 178.790 178.790 179.170 -0.380 18824 511 1 1 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.278 -0.069 18824 512 1 1 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.605 -0.559 18824 513 1 1 . 1 1 97 97 GLU H H 97 7.727 7.727 7.732 -0.005 18824 514 1 1 . 1 1 98 98 GLN N N 98 118.704 118.704 118.945 -0.241 18824 515 1 1 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.131 -0.157 18824 516 1 1 . 1 1 98 98 GLN C C 98 178.756 178.756 178.540 0.216 18824 517 1 1 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.427 -0.187 18824 518 1 1 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.583 -0.651 18824 519 1 1 . 1 1 98 98 GLN H H 98 7.733 7.733 7.594 0.139 18824 520 1 1 . 1 1 99 99 LEU N N 99 119.242 119.242 120.325 -1.083 18824 521 1 1 . 1 1 99 99 LEU HA H 99 3.914 3.914 4.060 -0.146 18824 522 1 1 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.220 0.499 18824 523 1 1 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.897 -2.014 18824 524 1 1 . 1 1 99 99 LEU H H 99 8.494 8.494 8.483 0.011 18824 525 1 1 . 1 1 100 100 GLN N N 100 118.689 118.689 118.840 -0.151 18824 526 1 1 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.136 -0.172 18824 527 1 1 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.629 0.005 18824 528 1 1 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.659 -0.941 18824 529 1 1 . 1 1 100 100 GLN H H 100 8.202 8.202 8.419 -0.217 18824 530 1 1 . 1 1 101 101 LYS N N 101 120.369 120.369 120.289 0.080 18824 531 1 1 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.098 -0.164 18824 532 1 1 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.690 0.052 18824 533 1 1 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.113 -0.252 18824 534 1 1 . 1 1 101 101 LYS H H 101 7.783 7.783 7.641 0.142 18824 535 1 1 . 1 1 102 102 LEU N N 102 117.862 117.862 118.177 -0.315 18824 536 1 1 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.307 -0.150 18824 537 1 1 . 1 1 102 102 LEU C C 102 177.526 177.526 177.658 -0.132 18824 538 1 1 . 1 1 102 102 LEU CA C 102 55.174 55.174 54.911 0.263 18824 539 1 1 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.204 0.762 18824 540 1 1 . 1 1 102 102 LEU H H 102 7.512 7.512 7.435 0.077 18824 541 1 1 . 1 1 103 103 GLY N N 103 108.863 108.863 106.409 2.454 18824 542 1 1 . 1 1 103 103 GLY C C 103 174.353 174.353 174.590 -0.237 18824 543 1 1 . 1 1 103 103 GLY CA C 103 45.565 45.565 45.429 0.136 18824 544 1 1 . 1 1 103 103 GLY H H 103 7.851 7.851 7.918 -0.067 18824 545 1 1 . 1 1 104 104 VAL N N 104 120.506 120.506 120.016 0.490 18824 546 1 1 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.193 -0.341 18824 547 1 1 . 1 1 104 104 VAL CA C 104 61.751 61.751 61.691 0.060 18824 548 1 1 . 1 1 104 104 VAL CB C 104 32.824 32.824 32.724 0.100 18824 549 1 1 . 1 1 104 104 VAL H H 104 7.726 7.726 7.253 0.473 18824 550 1 1 . 1 1 105 105 GLN N N 105 124.776 124.776 126.704 -1.928 18824 551 1 1 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.305 -0.198 18824 552 1 1 . 1 1 105 105 GLN CA C 105 55.170 55.170 55.726 -0.556 18824 553 1 1 . 1 1 105 105 GLN CB C 105 28.783 28.783 27.377 1.406 18824 554 1 1 . 1 1 105 105 GLN H H 105 8.245 8.245 8.913 -0.668 18824 555 1 1 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.693 -0.232 18824 556 1 1 . 1 1 106 106 VAL C C 106 179.182 179.182 176.741 2.441 18824 557 1 1 . 1 1 106 106 VAL CA C 106 64.553 64.553 65.126 -0.573 18824 558 1 1 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.321 -1.012 18824 559 1 1 . 1 1 106 106 VAL H H 106 8.504 8.504 8.319 0.185 18824 560 1 1 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.035 0.205 18824 561 1 1 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.294 -0.675 18824 562 1 1 . 1 1 108 108 GLU CA C 108 59.746 59.746 57.135 2.611 18824 563 1 1 . 1 1 108 108 GLU CB C 108 29.234 29.234 31.049 -1.815 18824 564 1 1 . 1 1 108 108 GLU H H 108 8.690 8.690 7.634 1.056 18824 565 1 1 . 1 1 110 110 LEU HA H 110 4.042 4.042 3.942 0.100 18824 566 1 1 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.458 -1.098 18824 567 1 1 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.970 0.150 18824 568 1 1 . 1 1 111 111 LEU N N 111 116.974 116.974 115.386 1.588 18824 569 1 1 . 1 1 111 111 LEU HA H 111 4.083 4.083 3.964 0.119 18824 570 1 1 . 1 1 111 111 LEU C C 111 177.598 177.598 179.123 -1.525 18824 571 1 1 . 1 1 111 111 LEU CA C 111 55.628 55.628 57.297 -1.669 18824 572 1 1 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.689 -0.712 18824 573 1 1 . 1 1 111 111 LEU H H 111 7.791 7.791 7.512 0.279 18824 574 1 1 . 1 1 112 112 ARG N N 112 119.231 119.231 118.533 0.698 18824 575 1 1 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.086 0.066 18824 576 1 1 . 1 1 112 112 ARG C C 112 176.246 176.246 178.431 -2.185 18824 577 1 1 . 1 1 112 112 ARG CA C 112 56.180 56.180 58.696 -2.516 18824 578 1 1 . 1 1 112 112 ARG CB C 112 30.340 30.340 30.430 -0.090 18824 579 1 1 . 1 1 112 112 ARG H H 112 7.528 7.528 7.645 -0.117 18824 580 1 1 . 1 1 113 113 ALA N N 113 123.896 123.896 122.276 1.620 18824 581 1 1 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.325 -0.186 18824 582 1 1 . 1 1 113 113 ALA C C 113 177.783 177.783 176.388 1.395 18824 583 1 1 . 1 1 113 113 ALA CA C 113 52.649 52.649 51.567 1.082 18824 584 1 1 . 1 1 113 113 ALA CB C 113 18.618 18.618 17.222 1.396 18824 585 1 1 . 1 1 113 113 ALA H H 113 7.954 7.954 8.451 -0.497 18824 586 1 1 . 1 1 114 114 GLN N N 114 118.555 118.555 117.168 1.387 18824 587 1 1 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.205 -0.046 18824 588 1 1 . 1 1 114 114 GLN C C 114 175.815 175.815 176.354 -0.539 18824 589 1 1 . 1 1 114 114 GLN CA C 114 55.551 55.551 55.813 -0.262 18824 590 1 1 . 1 1 114 114 GLN CB C 114 29.023 29.023 29.106 -0.083 18824 591 1 1 . 1 1 114 114 GLN H H 114 8.121 8.121 7.986 0.135 18824 592 1 1 . 1 1 115 115 GLU N N 115 121.589 121.589 120.451 1.138 18824 593 1 1 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.481 -0.351 18824 594 1 1 . 1 1 115 115 GLU C C 115 175.637 175.637 175.147 0.490 18824 595 1 1 . 1 1 115 115 GLU CA C 115 55.779 55.779 55.513 0.266 18824 596 1 1 . 1 1 115 115 GLU CB C 115 30.038 30.038 29.678 0.360 18824 597 1 1 . 1 1 115 115 GLU H H 115 8.164 8.164 7.563 0.601 18824 598 1 1 . 1 1 116 116 ALA N N 116 126.435 126.435 128.348 -1.913 18824 599 1 1 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.139 0.320 18824 600 1 1 . 1 1 116 116 ALA CA C 116 50.094 50.094 51.427 -1.333 18824 601 1 1 . 1 1 116 116 ALA CB C 116 17.622 17.622 18.173 -0.551 18824 602 1 1 . 1 1 116 116 ALA H H 116 8.266 8.266 8.540 -0.274 18824 603 1 1 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.663 -0.359 18824 604 1 1 . 1 1 117 117 PRO C C 117 177.580 177.580 177.062 0.518 18824 605 1 1 . 1 1 117 117 PRO CA C 117 62.789 62.789 63.318 -0.529 18824 606 1 1 . 1 1 117 117 PRO CB C 117 31.812 31.812 31.808 0.004 18824 607 1 1 . 1 1 118 118 GLY N N 118 109.304 109.304 112.019 -2.715 18824 608 1 1 . 1 1 118 118 GLY C C 118 173.872 173.872 173.288 0.584 18824 609 1 1 . 1 1 118 118 GLY CA C 118 45.014 45.014 44.821 0.193 18824 610 1 1 . 1 1 118 118 GLY H H 118 8.425 8.425 7.839 0.586 18824 611 1 1 . 1 1 119 119 GLN N N 119 120.070 120.070 120.351 -0.281 18824 612 1 1 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.165 0.049 18824 613 1 1 . 1 1 119 119 GLN C C 119 174.692 174.692 176.267 -1.575 18824 614 1 1 . 1 1 119 119 GLN CA C 119 55.442 55.442 56.691 -1.249 18824 615 1 1 . 1 1 119 119 GLN CB C 119 29.308 29.308 28.939 0.369 18824 616 1 1 . 1 1 119 119 GLN H H 119 8.081 8.081 8.530 -0.449 18824 617 1 2 . 1 1 5 5 ILE N N 5 119.691 119.691 121.860 -2.169 18824 618 1 2 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.157 -0.099 18824 619 1 2 . 1 1 5 5 ILE C C 5 175.649 175.649 175.436 0.213 18824 620 1 2 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.642 -1.046 18824 621 1 2 . 1 1 5 5 ILE CB C 5 38.674 38.674 38.783 -0.109 18824 622 1 2 . 1 1 5 5 ILE H H 5 8.370 8.370 8.135 0.235 18824 623 1 2 . 1 1 6 6 ASP N N 6 126.564 126.564 127.030 -0.466 18824 624 1 2 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.763 -0.073 18824 625 1 2 . 1 1 6 6 ASP CA C 6 52.261 52.261 52.272 -0.011 18824 626 1 2 . 1 1 6 6 ASP CB C 6 40.555 40.555 41.992 -1.437 18824 627 1 2 . 1 1 6 6 ASP H H 6 8.373 8.373 8.371 0.002 18824 628 1 2 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.073 0.087 18824 629 1 2 . 1 1 7 7 PRO C C 7 176.417 176.417 175.401 1.016 18824 630 1 2 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.608 -0.557 18824 631 1 2 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.196 -0.516 18824 632 1 2 . 1 1 8 8 PHE N N 8 117.858 117.858 113.384 4.474 18824 633 1 2 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.629 -0.085 18824 634 1 2 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.976 -0.723 18824 635 1 2 . 1 1 8 8 PHE CB C 8 38.444 38.444 41.930 -3.486 18824 636 1 2 . 1 1 8 8 PHE H H 8 7.974 7.974 7.504 0.470 18824 637 1 2 . 1 1 9 9 THR N N 9 112.459 112.459 114.832 -2.373 18824 638 1 2 . 1 1 9 9 THR HA H 9 4.338 4.338 4.462 -0.124 18824 639 1 2 . 1 1 9 9 THR C C 9 175.888 175.888 173.870 2.018 18824 640 1 2 . 1 1 9 9 THR CA C 9 60.827 60.827 62.994 -2.167 18824 641 1 2 . 1 1 9 9 THR CB C 9 69.387 69.387 69.497 -0.110 18824 642 1 2 . 1 1 9 9 THR H H 9 7.927 7.927 8.360 -0.433 18824 643 1 2 . 1 1 10 10 MET N N 10 121.338 121.338 123.366 -2.028 18824 644 1 2 . 1 1 10 10 MET HA H 10 4.310 4.310 4.768 -0.458 18824 645 1 2 . 1 1 10 10 MET C C 10 174.386 174.386 174.311 0.075 18824 646 1 2 . 1 1 10 10 MET CA C 10 52.415 52.415 53.768 -1.353 18824 647 1 2 . 1 1 10 10 MET H H 10 7.648 7.648 7.885 -0.237 18824 648 1 2 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.859 -0.169 18824 649 1 2 . 1 1 11 11 LEU CA C 11 52.606 52.606 51.607 0.999 18824 650 1 2 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.586 3.493 18824 651 1 2 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.670 -0.053 18824 652 1 2 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.669 -0.404 18824 653 1 2 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.592 -0.766 18824 654 1 2 . 1 1 13 13 ARG N N 13 118.005 118.005 121.272 -3.267 18824 655 1 2 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.666 -0.282 18824 656 1 2 . 1 1 13 13 ARG C C 13 173.498 173.498 174.481 -0.983 18824 657 1 2 . 1 1 13 13 ARG CA C 13 54.675 54.675 53.855 0.820 18824 658 1 2 . 1 1 13 13 ARG CB C 13 32.565 32.565 31.864 0.701 18824 659 1 2 . 1 1 13 13 ARG H H 13 8.484 8.484 9.013 -0.529 18824 660 1 2 . 1 1 14 14 LEU N N 14 124.897 124.897 126.411 -1.514 18824 661 1 2 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.561 0.307 18824 662 1 2 . 1 1 14 14 LEU C C 14 176.144 176.144 176.487 -0.343 18824 663 1 2 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.710 -1.663 18824 664 1 2 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.294 0.663 18824 665 1 2 . 1 1 14 14 LEU H H 14 8.520 8.520 8.655 -0.135 18824 666 1 2 . 1 1 15 15 CYS N N 15 127.167 127.167 127.484 -0.317 18824 667 1 2 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.610 -0.019 18824 668 1 2 . 1 1 15 15 CYS C C 15 173.408 173.408 174.095 -0.687 18824 669 1 2 . 1 1 15 15 CYS CA C 15 57.454 57.454 56.964 0.490 18824 670 1 2 . 1 1 15 15 CYS CB C 15 29.325 29.325 26.570 2.755 18824 671 1 2 . 1 1 15 15 CYS H H 15 9.247 9.247 9.306 -0.059 18824 672 1 2 . 1 1 16 16 CYS N N 16 125.133 125.133 125.448 -0.315 18824 673 1 2 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.296 -0.560 18824 674 1 2 . 1 1 16 16 CYS C C 16 172.784 172.784 174.232 -1.448 18824 675 1 2 . 1 1 16 16 CYS CA C 16 58.040 58.040 56.799 1.241 18824 676 1 2 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.119 0.123 18824 677 1 2 . 1 1 16 16 CYS H H 16 9.049 9.049 8.852 0.197 18824 678 1 2 . 1 1 17 17 LEU N N 17 124.624 124.624 121.922 2.702 18824 679 1 2 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.975 -0.323 18824 680 1 2 . 1 1 17 17 LEU C C 17 175.672 175.672 174.979 0.693 18824 681 1 2 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.242 1.982 18824 682 1 2 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.837 -0.795 18824 683 1 2 . 1 1 17 17 LEU H H 17 8.750 8.750 8.077 0.673 18824 684 1 2 . 1 1 18 18 GLU N N 18 121.610 121.610 119.632 1.978 18824 685 1 2 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.790 -0.030 18824 686 1 2 . 1 1 18 18 GLU C C 18 175.548 175.548 175.928 -0.380 18824 687 1 2 . 1 1 18 18 GLU CA C 18 54.861 54.861 55.092 -0.231 18824 688 1 2 . 1 1 18 18 GLU CB C 18 31.312 31.312 32.098 -0.786 18824 689 1 2 . 1 1 18 18 GLU H H 18 8.304 8.304 8.472 -0.168 18824 690 1 2 . 1 1 19 19 LYS N N 19 123.922 123.922 127.600 -3.678 18824 691 1 2 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.547 -0.437 18824 692 1 2 . 1 1 19 19 LYS C C 19 176.635 176.635 176.421 0.214 18824 693 1 2 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.377 2.111 18824 694 1 2 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.586 -0.261 18824 695 1 2 . 1 1 19 19 LYS H H 19 8.131 8.131 8.612 -0.481 18824 696 1 2 . 1 1 20 20 GLY N N 20 112.282 112.282 114.535 -2.253 18824 697 1 2 . 1 1 20 20 GLY CA C 20 44.045 44.045 43.785 0.260 18824 698 1 2 . 1 1 20 20 GLY H H 20 6.955 6.955 8.762 -1.807 18824 699 1 2 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.268 -0.091 18824 700 1 2 . 1 1 21 21 PRO C C 21 177.081 177.081 176.684 0.397 18824 701 1 2 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.500 -0.178 18824 702 1 2 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.979 -0.398 18824 703 1 2 . 1 1 22 22 ASN N N 22 114.637 114.637 116.868 -2.231 18824 704 1 2 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.813 0.106 18824 705 1 2 . 1 1 22 22 ASN C C 22 175.102 175.102 174.583 0.519 18824 706 1 2 . 1 1 22 22 ASN CA C 22 51.618 51.618 52.735 -1.117 18824 707 1 2 . 1 1 22 22 ASN CB C 22 38.930 38.930 39.011 -0.081 18824 708 1 2 . 1 1 22 22 ASN H H 22 8.462 8.462 8.183 0.279 18824 709 1 2 . 1 1 23 23 GLY N N 23 107.193 107.193 108.053 -0.860 18824 710 1 2 . 1 1 23 23 GLY C C 23 174.932 174.932 173.951 0.981 18824 711 1 2 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.047 -0.621 18824 712 1 2 . 1 1 23 23 GLY H H 23 7.499 7.499 7.653 -0.154 18824 713 1 2 . 1 1 24 24 TYR N N 24 119.910 119.910 123.138 -3.228 18824 714 1 2 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.753 -0.444 18824 715 1 2 . 1 1 24 24 TYR C C 24 177.188 177.188 176.538 0.650 18824 716 1 2 . 1 1 24 24 TYR CA C 24 60.745 60.745 58.712 2.033 18824 717 1 2 . 1 1 24 24 TYR CB C 24 40.447 40.447 39.762 0.685 18824 718 1 2 . 1 1 24 24 TYR H H 24 8.894 8.894 8.638 0.256 18824 719 1 2 . 1 1 25 25 GLY N N 25 104.016 104.016 105.173 -1.157 18824 720 1 2 . 1 1 25 25 GLY C C 25 173.020 173.020 173.280 -0.260 18824 721 1 2 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.240 0.281 18824 722 1 2 . 1 1 25 25 GLY H H 25 8.394 8.394 8.562 -0.168 18824 723 1 2 . 1 1 26 26 PHE N N 26 110.891 110.891 116.812 -5.921 18824 724 1 2 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.871 -0.232 18824 725 1 2 . 1 1 26 26 PHE C C 26 172.250 172.250 173.957 -1.707 18824 726 1 2 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.608 -0.502 18824 727 1 2 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.829 -0.139 18824 728 1 2 . 1 1 26 26 PHE H H 26 6.711 6.711 7.638 -0.927 18824 729 1 2 . 1 1 27 27 HIS N N 27 118.261 118.261 120.660 -2.399 18824 730 1 2 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.790 -0.006 18824 731 1 2 . 1 1 27 27 HIS C C 27 174.659 174.659 173.737 0.922 18824 732 1 2 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.356 -0.799 18824 733 1 2 . 1 1 27 27 HIS CB C 27 32.844 32.844 32.704 0.140 18824 734 1 2 . 1 1 27 27 HIS H H 27 7.964 7.964 9.445 -1.481 18824 735 1 2 . 1 1 28 28 LEU N N 28 125.694 125.694 123.968 1.726 18824 736 1 2 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.272 0.213 18824 737 1 2 . 1 1 28 28 LEU C C 28 176.849 176.849 175.509 1.340 18824 738 1 2 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.696 -0.033 18824 739 1 2 . 1 1 28 28 LEU CB C 28 45.031 45.031 45.517 -0.486 18824 740 1 2 . 1 1 28 28 LEU H H 28 9.554 9.554 8.780 0.774 18824 741 1 2 . 1 1 29 29 HIS N N 29 119.263 119.263 121.089 -1.826 18824 742 1 2 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.098 -0.337 18824 743 1 2 . 1 1 29 29 HIS C C 29 173.447 173.447 173.502 -0.055 18824 744 1 2 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.813 1.978 18824 745 1 2 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.376 -0.540 18824 746 1 2 . 1 1 29 29 HIS H H 29 9.625 9.625 9.216 0.409 18824 747 1 2 . 1 1 30 30 GLY N N 30 110.254 110.254 108.941 1.313 18824 748 1 2 . 1 1 30 30 GLY C C 30 172.917 172.917 173.866 -0.949 18824 749 1 2 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.465 -0.482 18824 750 1 2 . 1 1 30 30 GLY H H 30 8.403 8.403 8.546 -0.143 18824 751 1 2 . 1 1 31 31 GLU N N 31 119.753 119.753 123.755 -4.002 18824 752 1 2 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.444 -0.161 18824 753 1 2 . 1 1 31 31 GLU C C 31 175.939 175.939 177.037 -1.098 18824 754 1 2 . 1 1 31 31 GLU CA C 31 54.431 54.431 55.664 -1.233 18824 755 1 2 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.934 1.409 18824 756 1 2 . 1 1 31 31 GLU H H 31 9.060 9.060 8.641 0.419 18824 757 1 2 . 1 1 32 32 LYS N N 32 124.046 124.046 125.509 -1.463 18824 758 1 2 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.024 -0.110 18824 759 1 2 . 1 1 32 32 LYS C C 32 177.776 177.776 177.041 0.735 18824 760 1 2 . 1 1 32 32 LYS CA C 32 57.714 57.714 57.598 0.116 18824 761 1 2 . 1 1 32 32 LYS CB C 32 31.831 31.831 31.694 0.137 18824 762 1 2 . 1 1 32 32 LYS H H 32 8.424 8.424 8.739 -0.315 18824 763 1 2 . 1 1 33 33 GLY N N 33 113.177 113.177 114.167 -0.990 18824 764 1 2 . 1 1 33 33 GLY C C 33 173.408 173.408 174.404 -0.996 18824 765 1 2 . 1 1 33 33 GLY CA C 33 45.033 45.033 44.896 0.137 18824 766 1 2 . 1 1 33 33 GLY H H 33 8.856 8.856 8.412 0.444 18824 767 1 2 . 1 1 34 34 LYS N N 34 118.719 118.719 120.945 -2.226 18824 768 1 2 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.533 0.107 18824 769 1 2 . 1 1 34 34 LYS C C 34 176.528 176.528 176.409 0.119 18824 770 1 2 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.586 -1.029 18824 771 1 2 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.262 1.601 18824 772 1 2 . 1 1 34 34 LYS H H 34 7.790 7.790 7.898 -0.108 18824 773 1 2 . 1 1 35 35 LEU N N 35 124.084 124.084 114.222 9.862 18824 774 1 2 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.808 -0.323 18824 775 1 2 . 1 1 35 35 LEU C C 35 177.646 177.646 175.472 2.174 18824 776 1 2 . 1 1 35 35 LEU CA C 35 54.662 54.662 53.913 0.749 18824 777 1 2 . 1 1 35 35 LEU CB C 35 42.676 42.676 42.422 0.254 18824 778 1 2 . 1 1 35 35 LEU H H 35 8.759 8.759 8.637 0.122 18824 779 1 2 . 1 1 36 36 GLY N N 36 110.962 110.962 105.861 5.101 18824 780 1 2 . 1 1 36 36 GLY C C 36 173.070 173.070 172.599 0.471 18824 781 1 2 . 1 1 36 36 GLY CA C 36 44.526 44.526 43.563 0.963 18824 782 1 2 . 1 1 36 36 GLY H H 36 8.533 8.533 7.471 1.062 18824 783 1 2 . 1 1 37 37 GLN N N 37 117.136 117.136 117.799 -0.663 18824 784 1 2 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.764 -0.275 18824 785 1 2 . 1 1 37 37 GLN C C 37 173.925 173.925 174.800 -0.875 18824 786 1 2 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.789 0.016 18824 787 1 2 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.235 0.608 18824 788 1 2 . 1 1 37 37 GLN H H 37 8.885 8.885 8.256 0.629 18824 789 1 2 . 1 1 38 38 TYR N N 38 119.053 119.053 119.568 -0.515 18824 790 1 2 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.074 0.121 18824 791 1 2 . 1 1 38 38 TYR C C 38 176.110 176.110 175.686 0.424 18824 792 1 2 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.078 -0.848 18824 793 1 2 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.109 -0.127 18824 794 1 2 . 1 1 38 38 TYR H H 38 8.719 8.719 9.042 -0.323 18824 795 1 2 . 1 1 39 39 ILE N N 39 120.624 120.624 121.844 -1.220 18824 796 1 2 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.309 -0.059 18824 797 1 2 . 1 1 39 39 ILE C C 39 175.797 175.797 176.594 -0.797 18824 798 1 2 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.219 -1.988 18824 799 1 2 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.234 -0.840 18824 800 1 2 . 1 1 39 39 ILE H H 39 9.208 9.208 8.342 0.866 18824 801 1 2 . 1 1 40 40 ARG N N 40 130.372 130.372 129.902 0.470 18824 802 1 2 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.417 -0.330 18824 803 1 2 . 1 1 40 40 ARG C C 40 174.846 174.846 175.400 -0.554 18824 804 1 2 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.273 0.337 18824 805 1 2 . 1 1 40 40 ARG CB C 40 31.315 31.315 32.414 -1.099 18824 806 1 2 . 1 1 40 40 ARG H H 40 9.240 9.240 9.246 -0.006 18824 807 1 2 . 1 1 41 41 LEU N N 41 116.642 116.642 119.953 -3.311 18824 808 1 2 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.702 -0.344 18824 809 1 2 . 1 1 41 41 LEU C C 41 173.658 173.658 174.279 -0.621 18824 810 1 2 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.646 0.039 18824 811 1 2 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.945 -0.730 18824 812 1 2 . 1 1 41 41 LEU H H 41 7.130 7.130 7.920 -0.790 18824 813 1 2 . 1 1 42 42 VAL N N 42 125.934 125.934 124.459 1.475 18824 814 1 2 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.814 -0.459 18824 815 1 2 . 1 1 42 42 VAL C C 42 175.548 175.548 175.849 -0.301 18824 816 1 2 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.669 0.584 18824 817 1 2 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.000 0.223 18824 818 1 2 . 1 1 42 42 VAL H H 42 8.731 8.731 8.545 0.186 18824 819 1 2 . 1 1 43 43 GLU N N 43 128.285 128.285 128.621 -0.336 18824 820 1 2 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.505 -0.184 18824 821 1 2 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.672 -0.012 18824 822 1 2 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.737 -1.008 18824 823 1 2 . 1 1 43 43 GLU H H 43 9.102 9.102 9.025 0.077 18824 824 1 2 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.345 0.095 18824 825 1 2 . 1 1 44 44 PRO C C 44 178.222 178.222 177.732 0.490 18824 826 1 2 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.929 -0.631 18824 827 1 2 . 1 1 44 44 PRO CB C 44 31.388 31.388 31.633 -0.245 18824 828 1 2 . 1 1 45 45 GLY N N 45 113.166 113.166 112.227 0.939 18824 829 1 2 . 1 1 45 45 GLY C C 45 173.515 173.515 174.039 -0.524 18824 830 1 2 . 1 1 45 45 GLY CA C 45 45.525 45.525 44.883 0.642 18824 831 1 2 . 1 1 45 45 GLY H H 45 9.416 9.416 8.726 0.690 18824 832 1 2 . 1 1 46 46 SER N N 46 114.219 114.219 115.982 -1.763 18824 833 1 2 . 1 1 46 46 SER HA H 46 4.670 4.670 4.973 -0.303 18824 834 1 2 . 1 1 46 46 SER CA C 46 57.103 57.103 56.103 1.000 18824 835 1 2 . 1 1 46 46 SER CB C 46 64.458 64.458 65.236 -0.778 18824 836 1 2 . 1 1 46 46 SER H H 46 7.422 7.422 7.578 -0.156 18824 837 1 2 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.366 -0.079 18824 838 1 2 . 1 1 47 47 PRO C C 47 179.487 179.487 177.514 1.973 18824 839 1 2 . 1 1 47 47 PRO CA C 47 65.337 65.337 65.033 0.304 18824 840 1 2 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.713 0.626 18824 841 1 2 . 1 1 48 48 ALA N N 48 116.941 116.941 121.551 -4.610 18824 842 1 2 . 1 1 48 48 ALA HA H 48 3.808 3.808 4.026 -0.218 18824 843 1 2 . 1 1 48 48 ALA C C 48 177.063 177.063 179.715 -2.652 18824 844 1 2 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.343 -0.233 18824 845 1 2 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.119 2.055 18824 846 1 2 . 1 1 48 48 ALA H H 48 7.855 7.855 7.775 0.080 18824 847 1 2 . 1 1 49 49 GLU N N 49 120.064 120.064 118.016 2.048 18824 848 1 2 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.052 -0.198 18824 849 1 2 . 1 1 49 49 GLU C C 49 181.038 181.038 179.833 1.205 18824 850 1 2 . 1 1 49 49 GLU CA C 49 59.181 59.181 59.288 -0.107 18824 851 1 2 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.284 0.386 18824 852 1 2 . 1 1 49 49 GLU H H 49 7.732 7.732 7.911 -0.179 18824 853 1 2 . 1 1 50 50 LYS N N 50 120.570 120.570 118.999 1.571 18824 854 1 2 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.102 -0.178 18824 855 1 2 . 1 1 50 50 LYS C C 50 177.580 177.580 177.915 -0.335 18824 856 1 2 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.456 0.324 18824 857 1 2 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.254 -0.450 18824 858 1 2 . 1 1 50 50 LYS H H 50 8.156 8.156 7.548 0.608 18824 859 1 2 . 1 1 51 51 ALA N N 51 117.482 117.482 118.079 -0.597 18824 860 1 2 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.227 0.081 18824 861 1 2 . 1 1 51 51 ALA C C 51 177.509 177.509 176.711 0.798 18824 862 1 2 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.179 -0.061 18824 863 1 2 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.596 0.599 18824 864 1 2 . 1 1 51 51 ALA H H 51 7.730 7.730 7.626 0.104 18824 865 1 2 . 1 1 52 52 GLY N N 52 103.549 103.549 105.197 -1.648 18824 866 1 2 . 1 1 52 52 GLY C C 52 174.888 174.888 174.144 0.744 18824 867 1 2 . 1 1 52 52 GLY CA C 52 45.023 45.023 45.102 -0.079 18824 868 1 2 . 1 1 52 52 GLY H H 52 7.513 7.513 7.557 -0.044 18824 869 1 2 . 1 1 53 53 LEU N N 53 120.806 120.806 121.493 -0.687 18824 870 1 2 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.327 -0.471 18824 871 1 2 . 1 1 53 53 LEU C C 53 174.692 174.692 175.886 -1.194 18824 872 1 2 . 1 1 53 53 LEU CA C 53 55.190 55.190 54.811 0.379 18824 873 1 2 . 1 1 53 53 LEU CB C 53 42.994 42.994 41.668 1.326 18824 874 1 2 . 1 1 53 53 LEU H H 53 7.420 7.420 7.975 -0.555 18824 875 1 2 . 1 1 54 54 LEU N N 54 122.726 122.726 127.713 -4.987 18824 876 1 2 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.657 -0.152 18824 877 1 2 . 1 1 54 54 LEU C C 54 176.350 176.350 175.890 0.460 18824 878 1 2 . 1 1 54 54 LEU CA C 54 52.981 52.981 53.462 -0.481 18824 879 1 2 . 1 1 54 54 LEU CB C 54 45.564 45.564 45.423 0.141 18824 880 1 2 . 1 1 54 54 LEU H H 54 8.546 8.546 7.867 0.679 18824 881 1 2 . 1 1 55 55 ALA N N 55 122.735 122.735 128.031 -5.296 18824 882 1 2 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.304 -0.573 18824 883 1 2 . 1 1 55 55 ALA C C 55 179.077 179.077 177.366 1.711 18824 884 1 2 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.179 -0.179 18824 885 1 2 . 1 1 55 55 ALA CB C 55 17.068 17.068 18.068 -1.000 18824 886 1 2 . 1 1 55 55 ALA H H 55 8.551 8.551 8.603 -0.052 18824 887 1 2 . 1 1 56 56 GLY N N 56 112.553 112.553 113.599 -1.046 18824 888 1 2 . 1 1 56 56 GLY C C 56 174.638 174.638 174.334 0.304 18824 889 1 2 . 1 1 56 56 GLY CA C 56 44.481 44.481 44.871 -0.390 18824 890 1 2 . 1 1 56 56 GLY H H 56 9.450 9.450 8.578 0.872 18824 891 1 2 . 1 1 57 57 ASP N N 57 121.912 121.912 122.528 -0.616 18824 892 1 2 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.698 -0.151 18824 893 1 2 . 1 1 57 57 ASP C C 57 174.539 174.539 174.706 -0.167 18824 894 1 2 . 1 1 57 57 ASP CA C 57 55.157 55.157 56.079 -0.922 18824 895 1 2 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.755 -0.271 18824 896 1 2 . 1 1 57 57 ASP H H 57 7.948 7.948 7.824 0.124 18824 897 1 2 . 1 1 58 58 ARG N N 58 122.512 122.512 123.192 -0.680 18824 898 1 2 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.687 -0.706 18824 899 1 2 . 1 1 58 58 ARG C C 58 175.512 175.512 175.289 0.223 18824 900 1 2 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.843 -0.674 18824 901 1 2 . 1 1 58 58 ARG CB C 58 32.435 32.435 31.896 0.539 18824 902 1 2 . 1 1 58 58 ARG H H 58 8.570 8.570 8.689 -0.119 18824 903 1 2 . 1 1 59 59 LEU N N 59 126.506 126.506 128.642 -2.136 18824 904 1 2 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.465 -0.406 18824 905 1 2 . 1 1 59 59 LEU C C 59 174.420 174.420 175.160 -0.740 18824 906 1 2 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.205 -0.026 18824 907 1 2 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.078 0.397 18824 908 1 2 . 1 1 59 59 LEU H H 59 7.917 7.917 8.680 -0.763 18824 909 1 2 . 1 1 60 60 VAL N N 60 124.914 124.914 126.039 -1.125 18824 910 1 2 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.183 -0.273 18824 911 1 2 . 1 1 60 60 VAL CA C 60 63.788 63.788 62.834 0.954 18824 912 1 2 . 1 1 60 60 VAL CB C 60 32.805 32.805 33.985 -1.180 18824 913 1 2 . 1 1 60 60 VAL H H 60 8.781 8.781 8.916 -0.135 18824 914 1 2 . 1 1 61 61 GLU N N 61 112.868 112.868 118.320 -5.452 18824 915 1 2 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.142 0.070 18824 916 1 2 . 1 1 61 61 GLU C C 61 175.717 175.717 174.193 1.524 18824 917 1 2 . 1 1 61 61 GLU CA C 61 54.186 54.186 54.930 -0.744 18824 918 1 2 . 1 1 61 61 GLU CB C 61 34.458 34.458 33.987 0.471 18824 919 1 2 . 1 1 61 61 GLU H H 61 7.332 7.332 7.756 -0.424 18824 920 1 2 . 1 1 62 62 VAL N N 62 118.357 118.357 123.965 -5.608 18824 921 1 2 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.580 -0.258 18824 922 1 2 . 1 1 62 62 VAL C C 62 175.495 175.495 175.610 -0.115 18824 923 1 2 . 1 1 62 62 VAL CA C 62 60.750 60.750 61.199 -0.449 18824 924 1 2 . 1 1 62 62 VAL CB C 62 33.376 33.376 34.639 -1.263 18824 925 1 2 . 1 1 62 62 VAL H H 62 8.342 8.342 8.976 -0.634 18824 926 1 2 . 1 1 63 63 ASN N N 63 129.063 129.063 127.869 1.194 18824 927 1 2 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.310 -0.131 18824 928 1 2 . 1 1 63 63 ASN C C 63 175.051 175.051 175.452 -0.401 18824 929 1 2 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.169 -0.525 18824 930 1 2 . 1 1 63 63 ASN CB C 63 36.328 36.328 37.791 -1.462 18824 931 1 2 . 1 1 63 63 ASN H H 63 9.830 9.830 9.497 0.333 18824 932 1 2 . 1 1 64 64 GLY N N 64 103.346 103.346 104.588 -1.242 18824 933 1 2 . 1 1 64 64 GLY C C 64 173.276 173.276 173.290 -0.014 18824 934 1 2 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.059 -0.016 18824 935 1 2 . 1 1 64 64 GLY H H 64 9.222 9.222 9.037 0.185 18824 936 1 2 . 1 1 65 65 GLU N N 65 119.230 119.230 120.141 -0.911 18824 937 1 2 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.546 -0.057 18824 938 1 2 . 1 1 65 65 GLU C C 65 174.745 174.745 174.923 -0.178 18824 939 1 2 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.309 0.382 18824 940 1 2 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.386 -1.583 18824 941 1 2 . 1 1 65 65 GLU H H 65 7.553 7.553 7.575 -0.022 18824 942 1 2 . 1 1 66 66 ASN N N 66 123.478 123.478 125.049 -1.571 18824 943 1 2 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.684 0.004 18824 944 1 2 . 1 1 66 66 ASN C C 66 176.144 176.144 175.193 0.951 18824 945 1 2 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.483 0.741 18824 946 1 2 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.765 0.824 18824 947 1 2 . 1 1 66 66 ASN H H 66 8.865 8.865 8.875 -0.010 18824 948 1 2 . 1 1 67 67 VAL N N 67 117.695 117.695 117.151 0.544 18824 949 1 2 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.855 -0.352 18824 950 1 2 . 1 1 67 67 VAL C C 67 177.475 177.475 177.299 0.176 18824 951 1 2 . 1 1 67 67 VAL CA C 67 59.756 59.756 60.812 -1.056 18824 952 1 2 . 1 1 67 67 VAL CB C 67 31.321 31.321 32.268 -0.947 18824 953 1 2 . 1 1 67 67 VAL H H 67 8.210 8.210 8.723 -0.513 18824 954 1 2 . 1 1 68 68 GLU N N 68 122.899 122.899 122.202 0.697 18824 955 1 2 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.162 -0.241 18824 956 1 2 . 1 1 68 68 GLU C C 68 177.348 177.348 177.030 0.318 18824 957 1 2 . 1 1 68 68 GLU CA C 68 59.762 59.762 59.079 0.683 18824 958 1 2 . 1 1 68 68 GLU CB C 68 31.210 31.210 30.023 1.187 18824 959 1 2 . 1 1 68 68 GLU H H 68 8.427 8.427 8.068 0.359 18824 960 1 2 . 1 1 69 69 LYS N N 69 113.848 113.848 114.677 -0.829 18824 961 1 2 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.818 -0.404 18824 962 1 2 . 1 1 69 69 LYS C C 69 176.510 176.510 175.941 0.569 18824 963 1 2 . 1 1 69 69 LYS CA C 69 54.675 54.675 54.132 0.543 18824 964 1 2 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.160 -0.398 18824 965 1 2 . 1 1 69 69 LYS H H 69 8.576 8.576 7.894 0.682 18824 966 1 2 . 1 1 70 70 GLU N N 70 119.980 119.980 120.203 -0.223 18824 967 1 2 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.646 -0.285 18824 968 1 2 . 1 1 70 70 GLU C C 70 176.831 176.831 176.707 0.124 18824 969 1 2 . 1 1 70 70 GLU CA C 70 56.329 56.329 55.082 1.247 18824 970 1 2 . 1 1 70 70 GLU CB C 70 31.293 31.293 30.864 0.429 18824 971 1 2 . 1 1 70 70 GLU H H 70 6.994 6.994 7.308 -0.314 18824 972 1 2 . 1 1 71 71 THR N N 71 110.696 110.696 115.696 -5.000 18824 973 1 2 . 1 1 71 71 THR HA H 71 4.270 4.270 4.430 -0.160 18824 974 1 2 . 1 1 71 71 THR C C 71 174.812 174.812 175.595 -0.783 18824 975 1 2 . 1 1 71 71 THR CA C 71 60.267 60.267 61.213 -0.946 18824 976 1 2 . 1 1 71 71 THR CB C 71 71.497 71.497 70.333 1.164 18824 977 1 2 . 1 1 71 71 THR H H 71 8.675 8.675 8.968 -0.293 18824 978 1 2 . 1 1 72 72 HIS N N 72 118.876 118.876 121.176 -2.300 18824 979 1 2 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.373 -0.789 18824 980 1 2 . 1 1 72 72 HIS C C 72 175.802 175.802 177.739 -1.937 18824 981 1 2 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.212 -0.495 18824 982 1 2 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.884 -1.600 18824 983 1 2 . 1 1 72 72 HIS H H 72 9.171 9.171 8.769 0.402 18824 984 1 2 . 1 1 73 73 GLN N N 73 115.563 115.563 117.576 -2.013 18824 985 1 2 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.032 -0.263 18824 986 1 2 . 1 1 73 73 GLN C C 73 179.060 179.060 178.707 0.353 18824 987 1 2 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.473 -0.730 18824 988 1 2 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.311 -0.518 18824 989 1 2 . 1 1 73 73 GLN H H 73 8.666 8.666 8.808 -0.142 18824 990 1 2 . 1 1 74 74 GLN N N 74 119.687 119.687 119.118 0.569 18824 991 1 2 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.031 -0.194 18824 992 1 2 . 1 1 74 74 GLN C C 74 179.309 179.309 178.858 0.451 18824 993 1 2 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.870 -0.147 18824 994 1 2 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.958 -0.204 18824 995 1 2 . 1 1 74 74 GLN H H 74 7.614 7.614 7.735 -0.121 18824 996 1 2 . 1 1 75 75 VAL N N 75 120.633 120.633 120.286 0.347 18824 997 1 2 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.691 -0.367 18824 998 1 2 . 1 1 75 75 VAL C C 75 178.031 178.031 177.755 0.276 18824 999 1 2 . 1 1 75 75 VAL CA C 75 67.423 67.423 66.405 1.018 18824 1000 1 2 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.343 -0.274 18824 1001 1 2 . 1 1 75 75 VAL H H 75 8.289 8.289 8.180 0.109 18824 1002 1 2 . 1 1 76 76 VAL N N 76 118.966 118.966 120.204 -1.238 18824 1003 1 2 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.475 -0.147 18824 1004 1 2 . 1 1 76 76 VAL C C 76 178.739 178.739 178.087 0.652 18824 1005 1 2 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.612 0.247 18824 1006 1 2 . 1 1 76 76 VAL CB C 76 30.847 30.847 30.595 0.252 18824 1007 1 2 . 1 1 76 76 VAL H H 76 8.364 8.364 8.427 -0.063 18824 1008 1 2 . 1 1 77 77 SER N N 77 115.158 115.158 114.916 0.242 18824 1009 1 2 . 1 1 77 77 SER HA H 77 3.994 3.994 4.136 -0.142 18824 1010 1 2 . 1 1 77 77 SER C C 77 176.849 176.849 176.874 -0.025 18824 1011 1 2 . 1 1 77 77 SER CA C 77 62.162 62.162 62.098 0.064 18824 1012 1 2 . 1 1 77 77 SER CB C 77 62.232 62.232 62.947 -0.715 18824 1013 1 2 . 1 1 77 77 SER H H 77 7.871 7.871 8.081 -0.210 18824 1014 1 2 . 1 1 78 78 ARG N N 78 121.310 121.310 121.136 0.174 18824 1015 1 2 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.128 -0.206 18824 1016 1 2 . 1 1 78 78 ARG C C 78 179.309 179.309 178.906 0.403 18824 1017 1 2 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.692 0.057 18824 1018 1 2 . 1 1 78 78 ARG CB C 78 30.279 30.279 29.938 0.341 18824 1019 1 2 . 1 1 78 78 ARG H H 78 7.469 7.469 7.173 0.296 18824 1020 1 2 . 1 1 79 79 ILE N N 79 119.383 119.383 119.867 -0.484 18824 1021 1 2 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.758 -0.355 18824 1022 1 2 . 1 1 79 79 ILE C C 79 178.364 178.364 178.794 -0.430 18824 1023 1 2 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.542 -0.252 18824 1024 1 2 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.713 -0.489 18824 1025 1 2 . 1 1 79 79 ILE H H 79 7.759 7.759 8.191 -0.432 18824 1026 1 2 . 1 1 80 80 ARG N N 80 119.497 119.497 119.304 0.193 18824 1027 1 2 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.219 -0.241 18824 1028 1 2 . 1 1 80 80 ARG C C 80 177.544 177.544 177.335 0.209 18824 1029 1 2 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.378 1.352 18824 1030 1 2 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.219 0.609 18824 1031 1 2 . 1 1 80 80 ARG H H 80 8.407 8.407 8.037 0.370 18824 1032 1 2 . 1 1 81 81 ALA N N 81 118.814 118.814 119.843 -1.029 18824 1033 1 2 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.257 -0.196 18824 1034 1 2 . 1 1 81 81 ALA C C 81 177.473 177.473 177.540 -0.067 18824 1035 1 2 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.839 -0.033 18824 1036 1 2 . 1 1 81 81 ALA CB C 81 18.604 18.604 18.805 -0.201 18824 1037 1 2 . 1 1 81 81 ALA H H 81 7.392 7.392 7.426 -0.034 18824 1038 1 2 . 1 1 82 82 ALA N N 82 121.771 121.771 120.782 0.989 18824 1039 1 2 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.256 0.054 18824 1040 1 2 . 1 1 82 82 ALA C C 82 177.384 177.384 177.061 0.323 18824 1041 1 2 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.183 -0.579 18824 1042 1 2 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.775 -2.184 18824 1043 1 2 . 1 1 82 82 ALA H H 82 7.182 7.182 7.216 -0.034 18824 1044 1 2 . 1 1 83 83 LEU N N 83 122.357 122.357 124.040 -1.683 18824 1045 1 2 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.153 -0.162 18824 1046 1 2 . 1 1 83 83 LEU C C 83 177.366 177.366 178.477 -1.111 18824 1047 1 2 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.381 -0.404 18824 1048 1 2 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.130 -1.144 18824 1049 1 2 . 1 1 83 83 LEU H H 83 8.171 8.171 8.778 -0.607 18824 1050 1 2 . 1 1 84 84 ASN N N 84 114.897 114.897 114.095 0.802 18824 1051 1 2 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.777 -0.159 18824 1052 1 2 . 1 1 84 84 ASN C C 84 173.651 173.651 174.269 -0.618 18824 1053 1 2 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.409 0.785 18824 1054 1 2 . 1 1 84 84 ASN CB C 84 39.903 39.903 39.491 0.412 18824 1055 1 2 . 1 1 84 84 ASN H H 84 8.565 8.565 8.470 0.094 18824 1056 1 2 . 1 1 85 85 ALA N N 85 124.026 124.026 120.866 3.160 18824 1057 1 2 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.073 -0.002 18824 1058 1 2 . 1 1 85 85 ALA C C 85 175.751 175.751 175.056 0.695 18824 1059 1 2 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.482 0.628 18824 1060 1 2 . 1 1 85 85 ALA CB C 85 21.156 21.156 21.979 -0.823 18824 1061 1 2 . 1 1 85 85 ALA H H 85 7.808 7.808 7.496 0.312 18824 1062 1 2 . 1 1 86 86 VAL N N 86 116.130 116.130 119.997 -3.867 18824 1063 1 2 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.317 0.275 18824 1064 1 2 . 1 1 86 86 VAL C C 86 171.876 171.876 174.247 -2.371 18824 1065 1 2 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.931 -0.183 18824 1066 1 2 . 1 1 86 86 VAL CB C 86 34.893 34.893 36.081 -1.188 18824 1067 1 2 . 1 1 86 86 VAL H H 86 8.432 8.432 8.702 -0.270 18824 1068 1 2 . 1 1 87 87 ARG N N 87 124.913 124.913 126.409 -1.496 18824 1069 1 2 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.637 0.361 18824 1070 1 2 . 1 1 87 87 ARG C C 87 175.316 175.316 175.031 0.285 18824 1071 1 2 . 1 1 87 87 ARG CA C 87 53.991 53.991 53.695 0.296 18824 1072 1 2 . 1 1 87 87 ARG CB C 87 31.805 31.805 29.654 2.151 18824 1073 1 2 . 1 1 87 87 ARG H H 87 8.255 8.255 8.575 -0.320 18824 1074 1 2 . 1 1 88 88 LEU N N 88 125.141 125.141 125.972 -0.831 18824 1075 1 2 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.828 0.122 18824 1076 1 2 . 1 1 88 88 LEU C C 88 173.836 173.836 175.001 -1.165 18824 1077 1 2 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.599 -1.218 18824 1078 1 2 . 1 1 88 88 LEU CB C 88 43.952 43.952 43.451 0.501 18824 1079 1 2 . 1 1 88 88 LEU H H 88 9.041 9.041 9.000 0.041 18824 1080 1 2 . 1 1 89 89 LEU N N 89 126.927 126.927 128.312 -1.385 18824 1081 1 2 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.950 0.227 18824 1082 1 2 . 1 1 89 89 LEU C C 89 175.726 175.726 174.916 0.810 18824 1083 1 2 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.782 -0.073 18824 1084 1 2 . 1 1 89 89 LEU CB C 89 43.514 43.514 43.747 -0.233 18824 1085 1 2 . 1 1 89 89 LEU H H 89 8.484 8.484 8.760 -0.276 18824 1086 1 2 . 1 1 90 90 VAL N N 90 119.770 119.770 122.853 -3.083 18824 1087 1 2 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.355 0.083 18824 1088 1 2 . 1 1 90 90 VAL C C 90 174.157 174.157 173.510 0.647 18824 1089 1 2 . 1 1 90 90 VAL CA C 90 57.971 57.971 59.315 -1.344 18824 1090 1 2 . 1 1 90 90 VAL CB C 90 36.856 36.856 36.185 0.671 18824 1091 1 2 . 1 1 90 90 VAL H H 90 9.001 9.001 8.908 0.093 18824 1092 1 2 . 1 1 91 91 VAL N N 91 112.698 112.698 121.066 -8.368 18824 1093 1 2 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.515 0.194 18824 1094 1 2 . 1 1 91 91 VAL C C 91 173.993 173.993 173.825 0.168 18824 1095 1 2 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.807 -0.824 18824 1096 1 2 . 1 1 91 91 VAL CB C 91 35.466 35.466 36.019 -0.553 18824 1097 1 2 . 1 1 91 91 VAL H H 91 8.011 8.011 8.521 -0.510 18824 1098 1 2 . 1 1 92 92 ASP N N 92 127.066 127.066 128.340 -1.274 18824 1099 1 2 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.724 0.282 18824 1100 1 2 . 1 1 92 92 ASP CA C 92 53.078 53.078 53.000 0.078 18824 1101 1 2 . 1 1 92 92 ASP CB C 92 39.764 39.764 41.599 -1.835 18824 1102 1 2 . 1 1 92 92 ASP H H 92 7.878 7.878 8.787 -0.909 18824 1103 1 2 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.229 0.174 18824 1104 1 2 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.380 0.484 18824 1105 1 2 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.960 0.261 18824 1106 1 2 . 1 1 94 94 GLU N N 94 119.504 119.504 117.626 1.878 18824 1107 1 2 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.122 -0.072 18824 1108 1 2 . 1 1 94 94 GLU C C 94 179.182 179.182 178.723 0.459 18824 1109 1 2 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.470 -0.252 18824 1110 1 2 . 1 1 94 94 GLU CB C 94 28.950 28.950 29.108 -0.158 18824 1111 1 2 . 1 1 94 94 GLU H H 94 8.156 8.156 8.152 0.004 18824 1112 1 2 . 1 1 95 95 THR N N 95 120.651 120.651 116.952 3.699 18824 1113 1 2 . 1 1 95 95 THR HA H 95 3.751 3.751 4.066 -0.315 18824 1114 1 2 . 1 1 95 95 THR C C 95 175.888 175.888 176.175 -0.287 18824 1115 1 2 . 1 1 95 95 THR CA C 95 65.764 65.764 67.364 -1.600 18824 1116 1 2 . 1 1 95 95 THR CB C 95 67.338 67.338 68.546 -1.208 18824 1117 1 2 . 1 1 95 95 THR H H 95 8.315 8.315 8.874 -0.559 18824 1118 1 2 . 1 1 96 96 ASP N N 96 120.554 120.554 122.494 -1.940 18824 1119 1 2 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.280 -0.047 18824 1120 1 2 . 1 1 96 96 ASP C C 96 178.275 178.275 178.092 0.183 18824 1121 1 2 . 1 1 96 96 ASP CA C 96 56.221 56.221 58.100 -1.879 18824 1122 1 2 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.937 0.101 18824 1123 1 2 . 1 1 96 96 ASP H H 96 8.381 8.381 8.864 -0.483 18824 1124 1 2 . 1 1 97 97 GLU N N 97 117.457 117.457 119.636 -2.179 18824 1125 1 2 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.917 -0.052 18824 1126 1 2 . 1 1 97 97 GLU C C 97 178.790 178.790 178.874 -0.084 18824 1127 1 2 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.563 -0.354 18824 1128 1 2 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.669 -0.623 18824 1129 1 2 . 1 1 97 97 GLU H H 97 7.727 7.727 7.779 -0.052 18824 1130 1 2 . 1 1 98 98 GLN N N 98 118.704 118.704 118.228 0.476 18824 1131 1 2 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.094 -0.120 18824 1132 1 2 . 1 1 98 98 GLN C C 98 178.756 178.756 178.528 0.228 18824 1133 1 2 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.460 -0.220 18824 1134 1 2 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.524 -0.592 18824 1135 1 2 . 1 1 98 98 GLN H H 98 7.733 7.733 7.587 0.146 18824 1136 1 2 . 1 1 99 99 LEU N N 99 119.242 119.242 120.526 -1.284 18824 1137 1 2 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.866 0.048 18824 1138 1 2 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.547 0.172 18824 1139 1 2 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.597 -1.714 18824 1140 1 2 . 1 1 99 99 LEU H H 99 8.494 8.494 8.579 -0.085 18824 1141 1 2 . 1 1 100 100 GLN N N 100 118.689 118.689 117.906 0.783 18824 1142 1 2 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.439 -0.475 18824 1143 1 2 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.008 0.625 18824 1144 1 2 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.335 -0.617 18824 1145 1 2 . 1 1 100 100 GLN H H 100 8.202 8.202 8.330 -0.128 18824 1146 1 2 . 1 1 101 101 LYS N N 101 120.369 120.369 120.407 -0.038 18824 1147 1 2 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.106 -0.172 18824 1148 1 2 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.640 0.102 18824 1149 1 2 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.172 -0.311 18824 1150 1 2 . 1 1 101 101 LYS H H 101 7.783 7.783 7.473 0.310 18824 1151 1 2 . 1 1 102 102 LEU N N 102 117.862 117.862 117.615 0.247 18824 1152 1 2 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.149 0.008 18824 1153 1 2 . 1 1 102 102 LEU C C 102 177.526 177.526 177.583 -0.057 18824 1154 1 2 . 1 1 102 102 LEU CA C 102 55.174 55.174 55.860 -0.686 18824 1155 1 2 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.321 0.645 18824 1156 1 2 . 1 1 102 102 LEU H H 102 7.512 7.512 7.759 -0.247 18824 1157 1 2 . 1 1 103 103 GLY N N 103 108.863 108.863 105.575 3.288 18824 1158 1 2 . 1 1 103 103 GLY C C 103 174.353 174.353 174.177 0.176 18824 1159 1 2 . 1 1 103 103 GLY CA C 103 45.565 45.565 44.536 1.029 18824 1160 1 2 . 1 1 103 103 GLY H H 103 7.851 7.851 7.490 0.361 18824 1161 1 2 . 1 1 104 104 VAL N N 104 120.506 120.506 121.696 -1.190 18824 1162 1 2 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.369 -0.517 18824 1163 1 2 . 1 1 104 104 VAL CA C 104 61.751 61.751 60.803 0.948 18824 1164 1 2 . 1 1 104 104 VAL CB C 104 32.824 32.824 33.310 -0.486 18824 1165 1 2 . 1 1 104 104 VAL H H 104 7.726 7.726 7.449 0.277 18824 1166 1 2 . 1 1 105 105 GLN N N 105 124.776 124.776 126.635 -1.859 18824 1167 1 2 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.885 -0.778 18824 1168 1 2 . 1 1 105 105 GLN CA C 105 55.170 55.170 54.297 0.873 18824 1169 1 2 . 1 1 105 105 GLN CB C 105 28.783 28.783 28.168 0.615 18824 1170 1 2 . 1 1 105 105 GLN H H 105 8.245 8.245 8.825 -0.580 18824 1171 1 2 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.808 -0.347 18824 1172 1 2 . 1 1 106 106 VAL C C 106 179.182 179.182 176.669 2.513 18824 1173 1 2 . 1 1 106 106 VAL CA C 106 64.553 64.553 63.808 0.745 18824 1174 1 2 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.710 -1.401 18824 1175 1 2 . 1 1 106 106 VAL H H 106 8.504 8.504 8.782 -0.278 18824 1176 1 2 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.016 0.224 18824 1177 1 2 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.275 -0.656 18824 1178 1 2 . 1 1 108 108 GLU CA C 108 59.746 59.746 57.114 2.632 18824 1179 1 2 . 1 1 108 108 GLU CB C 108 29.234 29.234 30.394 -1.160 18824 1180 1 2 . 1 1 108 108 GLU H H 108 8.690 8.690 7.624 1.066 18824 1181 1 2 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.103 -0.061 18824 1182 1 2 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.399 -1.039 18824 1183 1 2 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.803 0.316 18824 1184 1 2 . 1 1 111 111 LEU N N 111 116.974 116.974 116.701 0.273 18824 1185 1 2 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.107 -0.024 18824 1186 1 2 . 1 1 111 111 LEU C C 111 177.598 177.598 178.476 -0.878 18824 1187 1 2 . 1 1 111 111 LEU CA C 111 55.628 55.628 56.861 -1.233 18824 1188 1 2 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.570 -0.593 18824 1189 1 2 . 1 1 111 111 LEU H H 111 7.791 7.791 7.693 0.098 18824 1190 1 2 . 1 1 112 112 ARG N N 112 119.231 119.231 119.485 -0.254 18824 1191 1 2 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.348 -0.196 18824 1192 1 2 . 1 1 112 112 ARG C C 112 176.246 176.246 176.044 0.202 18824 1193 1 2 . 1 1 112 112 ARG CA C 112 56.180 56.180 56.935 -0.755 18824 1194 1 2 . 1 1 112 112 ARG CB C 112 30.340 30.340 31.100 -0.760 18824 1195 1 2 . 1 1 112 112 ARG H H 112 7.528 7.528 7.836 -0.308 18824 1196 1 2 . 1 1 113 113 ALA N N 113 123.896 123.896 120.976 2.920 18824 1197 1 2 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.413 -0.274 18824 1198 1 2 . 1 1 113 113 ALA C C 113 177.783 177.783 176.115 1.668 18824 1199 1 2 . 1 1 113 113 ALA CA C 113 52.649 52.649 52.495 0.154 18824 1200 1 2 . 1 1 113 113 ALA CB C 113 18.618 18.618 20.063 -1.445 18824 1201 1 2 . 1 1 113 113 ALA H H 113 7.954 7.954 8.214 -0.260 18824 1202 1 2 . 1 1 114 114 GLN N N 114 118.555 118.555 124.018 -5.463 18824 1203 1 2 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.447 -0.288 18824 1204 1 2 . 1 1 114 114 GLN C C 114 175.815 175.815 175.287 0.528 18824 1205 1 2 . 1 1 114 114 GLN CA C 114 55.551 55.551 54.445 1.106 18824 1206 1 2 . 1 1 114 114 GLN CB C 114 29.023 29.023 27.152 1.871 18824 1207 1 2 . 1 1 114 114 GLN H H 114 8.121 8.121 8.629 -0.508 18824 1208 1 2 . 1 1 115 115 GLU N N 115 121.589 121.589 121.089 0.500 18824 1209 1 2 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.740 -0.610 18824 1210 1 2 . 1 1 115 115 GLU C C 115 175.637 175.637 175.494 0.143 18824 1211 1 2 . 1 1 115 115 GLU CA C 115 55.779 55.779 56.032 -0.253 18824 1212 1 2 . 1 1 115 115 GLU CB C 115 30.038 30.038 30.916 -0.878 18824 1213 1 2 . 1 1 115 115 GLU H H 115 8.164 8.164 8.139 0.025 18824 1214 1 2 . 1 1 116 116 ALA N N 116 126.435 126.435 127.749 -1.314 18824 1215 1 2 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.668 -0.209 18824 1216 1 2 . 1 1 116 116 ALA CA C 116 50.094 50.094 50.296 -0.202 18824 1217 1 2 . 1 1 116 116 ALA CB C 116 17.622 17.622 19.536 -1.914 18824 1218 1 2 . 1 1 116 116 ALA H H 116 8.266 8.266 8.573 -0.307 18824 1219 1 2 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.482 -0.178 18824 1220 1 2 . 1 1 117 117 PRO C C 117 177.580 177.580 176.936 0.644 18824 1221 1 2 . 1 1 117 117 PRO CA C 117 62.789 62.789 62.758 0.031 18824 1222 1 2 . 1 1 117 117 PRO CB C 117 31.812 31.812 30.310 1.502 18824 1223 1 2 . 1 1 118 118 GLY N N 118 109.304 109.304 111.544 -2.240 18824 1224 1 2 . 1 1 118 118 GLY C C 118 173.872 173.872 173.552 0.320 18824 1225 1 2 . 1 1 118 118 GLY CA C 118 45.014 45.014 44.680 0.334 18824 1226 1 2 . 1 1 118 118 GLY H H 118 8.425 8.425 8.274 0.151 18824 1227 1 2 . 1 1 119 119 GLN N N 119 120.070 120.070 122.211 -2.141 18824 1228 1 2 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.599 -0.385 18824 1229 1 2 . 1 1 119 119 GLN C C 119 174.692 174.692 175.013 -0.321 18824 1230 1 2 . 1 1 119 119 GLN CA C 119 55.442 55.442 55.441 0.000 18824 1231 1 2 . 1 1 119 119 GLN CB C 119 29.308 29.308 29.636 -0.328 18824 1232 1 2 . 1 1 119 119 GLN H H 119 8.081 8.081 7.951 0.130 18824 1233 1 3 . 1 1 5 5 ILE N N 5 119.691 119.691 122.482 -2.791 18824 1234 1 3 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.225 -0.167 18824 1235 1 3 . 1 1 5 5 ILE C C 5 175.649 175.649 175.525 0.124 18824 1236 1 3 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.446 -0.849 18824 1237 1 3 . 1 1 5 5 ILE CB C 5 38.674 38.674 38.808 -0.134 18824 1238 1 3 . 1 1 5 5 ILE H H 5 8.370 8.370 8.161 0.209 18824 1239 1 3 . 1 1 6 6 ASP N N 6 126.564 126.564 128.249 -1.685 18824 1240 1 3 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.880 -0.190 18824 1241 1 3 . 1 1 6 6 ASP CA C 6 52.261 52.261 51.832 0.429 18824 1242 1 3 . 1 1 6 6 ASP CB C 6 40.555 40.555 41.839 -1.284 18824 1243 1 3 . 1 1 6 6 ASP H H 6 8.373 8.373 8.446 -0.073 18824 1244 1 3 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.195 -0.035 18824 1245 1 3 . 1 1 7 7 PRO C C 7 176.417 176.417 175.215 1.202 18824 1246 1 3 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.866 -0.815 18824 1247 1 3 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.259 -0.579 18824 1248 1 3 . 1 1 8 8 PHE N N 8 117.858 117.858 114.529 3.329 18824 1249 1 3 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.669 -0.125 18824 1250 1 3 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.458 -0.205 18824 1251 1 3 . 1 1 8 8 PHE CB C 8 38.444 38.444 42.319 -3.875 18824 1252 1 3 . 1 1 8 8 PHE H H 8 7.974 7.974 7.538 0.436 18824 1253 1 3 . 1 1 9 9 THR N N 9 112.459 112.459 117.164 -4.705 18824 1254 1 3 . 1 1 9 9 THR HA H 9 4.338 4.338 4.474 -0.136 18824 1255 1 3 . 1 1 9 9 THR C C 9 175.888 175.888 173.356 2.532 18824 1256 1 3 . 1 1 9 9 THR CA C 9 60.827 60.827 62.428 -1.601 18824 1257 1 3 . 1 1 9 9 THR CB C 9 69.387 69.387 69.943 -0.556 18824 1258 1 3 . 1 1 9 9 THR H H 9 7.927 7.927 8.581 -0.654 18824 1259 1 3 . 1 1 10 10 MET N N 10 121.338 121.338 123.494 -2.156 18824 1260 1 3 . 1 1 10 10 MET HA H 10 4.310 4.310 4.262 0.048 18824 1261 1 3 . 1 1 10 10 MET C C 10 174.386 174.386 174.317 0.069 18824 1262 1 3 . 1 1 10 10 MET CA C 10 52.415 52.415 55.399 -2.984 18824 1263 1 3 . 1 1 10 10 MET H H 10 7.648 7.648 8.759 -1.111 18824 1264 1 3 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.574 0.116 18824 1265 1 3 . 1 1 11 11 LEU CA C 11 52.606 52.606 51.731 0.875 18824 1266 1 3 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.169 3.910 18824 1267 1 3 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.446 0.171 18824 1268 1 3 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.970 -0.705 18824 1269 1 3 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.457 -0.631 18824 1270 1 3 . 1 1 13 13 ARG N N 13 118.005 118.005 116.938 1.067 18824 1271 1 3 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.609 -0.225 18824 1272 1 3 . 1 1 13 13 ARG C C 13 173.498 173.498 174.197 -0.699 18824 1273 1 3 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.368 0.307 18824 1274 1 3 . 1 1 13 13 ARG CB C 13 32.565 32.565 33.011 -0.446 18824 1275 1 3 . 1 1 13 13 ARG H H 13 8.484 8.484 7.804 0.680 18824 1276 1 3 . 1 1 14 14 LEU N N 14 124.897 124.897 122.515 2.382 18824 1277 1 3 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.396 0.472 18824 1278 1 3 . 1 1 14 14 LEU C C 14 176.144 176.144 176.325 -0.181 18824 1279 1 3 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.719 -1.672 18824 1280 1 3 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.472 0.485 18824 1281 1 3 . 1 1 14 14 LEU H H 14 8.520 8.520 8.464 0.056 18824 1282 1 3 . 1 1 15 15 CYS N N 15 127.167 127.167 127.691 -0.524 18824 1283 1 3 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.520 0.071 18824 1284 1 3 . 1 1 15 15 CYS C C 15 173.408 173.408 174.085 -0.677 18824 1285 1 3 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.956 -1.502 18824 1286 1 3 . 1 1 15 15 CYS CB C 15 29.325 29.325 26.398 2.928 18824 1287 1 3 . 1 1 15 15 CYS H H 15 9.247 9.247 9.132 0.115 18824 1288 1 3 . 1 1 16 16 CYS N N 16 125.133 125.133 126.614 -1.481 18824 1289 1 3 . 1 1 16 16 CYS HA H 16 4.736 4.736 4.959 -0.223 18824 1290 1 3 . 1 1 16 16 CYS C C 16 172.784 172.784 174.339 -1.555 18824 1291 1 3 . 1 1 16 16 CYS CA C 16 58.040 58.040 58.810 -0.770 18824 1292 1 3 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.366 -0.124 18824 1293 1 3 . 1 1 16 16 CYS H H 16 9.049 9.049 8.917 0.132 18824 1294 1 3 . 1 1 17 17 LEU N N 17 124.624 124.624 122.395 2.229 18824 1295 1 3 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.976 -0.324 18824 1296 1 3 . 1 1 17 17 LEU C C 17 175.672 175.672 174.893 0.779 18824 1297 1 3 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.395 1.829 18824 1298 1 3 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.827 -0.785 18824 1299 1 3 . 1 1 17 17 LEU H H 17 8.750 8.750 8.491 0.259 18824 1300 1 3 . 1 1 18 18 GLU N N 18 121.610 121.610 120.530 1.080 18824 1301 1 3 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.865 -0.105 18824 1302 1 3 . 1 1 18 18 GLU C C 18 175.548 175.548 176.076 -0.528 18824 1303 1 3 . 1 1 18 18 GLU CA C 18 54.861 54.861 54.947 -0.086 18824 1304 1 3 . 1 1 18 18 GLU CB C 18 31.312 31.312 32.205 -0.893 18824 1305 1 3 . 1 1 18 18 GLU H H 18 8.304 8.304 8.509 -0.205 18824 1306 1 3 . 1 1 19 19 LYS N N 19 123.922 123.922 126.866 -2.944 18824 1307 1 3 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.689 -0.579 18824 1308 1 3 . 1 1 19 19 LYS C C 19 176.635 176.635 176.383 0.252 18824 1309 1 3 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.853 1.635 18824 1310 1 3 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.526 -0.201 18824 1311 1 3 . 1 1 19 19 LYS H H 19 8.131 8.131 8.606 -0.475 18824 1312 1 3 . 1 1 20 20 GLY N N 20 112.282 112.282 114.599 -2.317 18824 1313 1 3 . 1 1 20 20 GLY CA C 20 44.045 44.045 44.474 -0.429 18824 1314 1 3 . 1 1 20 20 GLY H H 20 6.955 6.955 8.800 -1.845 18824 1315 1 3 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.447 -0.270 18824 1316 1 3 . 1 1 21 21 PRO C C 21 177.081 177.081 176.784 0.297 18824 1317 1 3 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.263 0.059 18824 1318 1 3 . 1 1 21 21 PRO CB C 21 31.581 31.581 32.231 -0.650 18824 1319 1 3 . 1 1 22 22 ASN N N 22 114.637 114.637 116.812 -2.175 18824 1320 1 3 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.818 0.101 18824 1321 1 3 . 1 1 22 22 ASN C C 22 175.102 175.102 174.541 0.561 18824 1322 1 3 . 1 1 22 22 ASN CA C 22 51.618 51.618 52.300 -0.682 18824 1323 1 3 . 1 1 22 22 ASN CB C 22 38.930 38.930 39.147 -0.217 18824 1324 1 3 . 1 1 22 22 ASN H H 22 8.462 8.462 8.239 0.223 18824 1325 1 3 . 1 1 23 23 GLY N N 23 107.193 107.193 108.774 -1.581 18824 1326 1 3 . 1 1 23 23 GLY C C 23 174.932 174.932 173.459 1.473 18824 1327 1 3 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.861 -1.435 18824 1328 1 3 . 1 1 23 23 GLY H H 23 7.499 7.499 7.507 -0.008 18824 1329 1 3 . 1 1 24 24 TYR N N 24 119.910 119.910 123.136 -3.226 18824 1330 1 3 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.787 -0.478 18824 1331 1 3 . 1 1 24 24 TYR C C 24 177.188 177.188 175.634 1.554 18824 1332 1 3 . 1 1 24 24 TYR CA C 24 60.745 60.745 57.313 3.432 18824 1333 1 3 . 1 1 24 24 TYR CB C 24 40.447 40.447 40.845 -0.398 18824 1334 1 3 . 1 1 24 24 TYR H H 24 8.894 8.894 8.274 0.620 18824 1335 1 3 . 1 1 25 25 GLY N N 25 104.016 104.016 106.597 -2.581 18824 1336 1 3 . 1 1 25 25 GLY C C 25 173.020 173.020 172.812 0.208 18824 1337 1 3 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.328 0.193 18824 1338 1 3 . 1 1 25 25 GLY H H 25 8.394 8.394 8.384 0.010 18824 1339 1 3 . 1 1 26 26 PHE N N 26 110.891 110.891 117.521 -6.630 18824 1340 1 3 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.869 -0.230 18824 1341 1 3 . 1 1 26 26 PHE C C 26 172.250 172.250 173.721 -1.471 18824 1342 1 3 . 1 1 26 26 PHE CA C 26 54.106 54.106 53.877 0.229 18824 1343 1 3 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.938 -0.249 18824 1344 1 3 . 1 1 26 26 PHE H H 26 6.711 6.711 7.423 -0.713 18824 1345 1 3 . 1 1 27 27 HIS N N 27 118.261 118.261 121.224 -2.963 18824 1346 1 3 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.815 -0.031 18824 1347 1 3 . 1 1 27 27 HIS C C 27 174.659 174.659 173.618 1.041 18824 1348 1 3 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.129 -0.572 18824 1349 1 3 . 1 1 27 27 HIS CB C 27 32.844 32.844 32.691 0.153 18824 1350 1 3 . 1 1 27 27 HIS H H 27 7.964 7.964 9.322 -1.358 18824 1351 1 3 . 1 1 28 28 LEU N N 28 125.694 125.694 125.766 -0.072 18824 1352 1 3 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.057 0.428 18824 1353 1 3 . 1 1 28 28 LEU C C 28 176.849 176.849 175.923 0.926 18824 1354 1 3 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.659 0.004 18824 1355 1 3 . 1 1 28 28 LEU CB C 28 45.031 45.031 44.758 0.273 18824 1356 1 3 . 1 1 28 28 LEU H H 28 9.554 9.554 8.727 0.827 18824 1357 1 3 . 1 1 29 29 HIS N N 29 119.263 119.263 120.340 -1.077 18824 1358 1 3 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.136 -0.375 18824 1359 1 3 . 1 1 29 29 HIS C C 29 173.447 173.447 173.436 0.011 18824 1360 1 3 . 1 1 29 29 HIS CA C 29 55.791 55.791 54.245 1.546 18824 1361 1 3 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.511 -0.675 18824 1362 1 3 . 1 1 29 29 HIS H H 29 9.625 9.625 9.465 0.160 18824 1363 1 3 . 1 1 30 30 GLY N N 30 110.254 110.254 108.941 1.313 18824 1364 1 3 . 1 1 30 30 GLY C C 30 172.917 172.917 173.581 -0.664 18824 1365 1 3 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.599 -0.616 18824 1366 1 3 . 1 1 30 30 GLY H H 30 8.403 8.403 8.624 -0.221 18824 1367 1 3 . 1 1 31 31 GLU N N 31 119.753 119.753 122.571 -2.818 18824 1368 1 3 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.338 -0.055 18824 1369 1 3 . 1 1 31 31 GLU C C 31 175.939 175.939 176.111 -0.172 18824 1370 1 3 . 1 1 31 31 GLU CA C 31 54.431 54.431 56.115 -1.684 18824 1371 1 3 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.815 1.528 18824 1372 1 3 . 1 1 31 31 GLU H H 31 9.060 9.060 8.619 0.441 18824 1373 1 3 . 1 1 32 32 LYS N N 32 124.046 124.046 120.227 3.819 18824 1374 1 3 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.438 -0.524 18824 1375 1 3 . 1 1 32 32 LYS C C 32 177.776 177.776 177.370 0.406 18824 1376 1 3 . 1 1 32 32 LYS CA C 32 57.714 57.714 55.944 1.770 18824 1377 1 3 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.538 -0.706 18824 1378 1 3 . 1 1 32 32 LYS H H 32 8.424 8.424 8.437 -0.013 18824 1379 1 3 . 1 1 33 33 GLY N N 33 113.177 113.177 113.396 -0.219 18824 1380 1 3 . 1 1 33 33 GLY C C 33 173.408 173.408 174.072 -0.664 18824 1381 1 3 . 1 1 33 33 GLY CA C 33 45.033 45.033 45.410 -0.377 18824 1382 1 3 . 1 1 33 33 GLY H H 33 8.856 8.856 8.817 0.039 18824 1383 1 3 . 1 1 34 34 LYS N N 34 118.719 118.719 118.549 0.170 18824 1384 1 3 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.500 0.140 18824 1385 1 3 . 1 1 34 34 LYS C C 34 176.528 176.528 176.392 0.136 18824 1386 1 3 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.524 -0.967 18824 1387 1 3 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.607 1.256 18824 1388 1 3 . 1 1 34 34 LYS H H 34 7.790 7.790 7.630 0.160 18824 1389 1 3 . 1 1 35 35 LEU N N 35 124.084 124.084 114.052 10.032 18824 1390 1 3 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.801 -0.316 18824 1391 1 3 . 1 1 35 35 LEU C C 35 177.646 177.646 177.142 0.504 18824 1392 1 3 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.472 0.190 18824 1393 1 3 . 1 1 35 35 LEU CB C 35 42.676 42.676 43.356 -0.680 18824 1394 1 3 . 1 1 35 35 LEU H H 35 8.759 8.759 8.607 0.152 18824 1395 1 3 . 1 1 36 36 GLY N N 36 110.962 110.962 106.050 4.912 18824 1396 1 3 . 1 1 36 36 GLY C C 36 173.070 173.070 172.993 0.077 18824 1397 1 3 . 1 1 36 36 GLY CA C 36 44.526 44.526 43.490 1.036 18824 1398 1 3 . 1 1 36 36 GLY H H 36 8.533 8.533 7.760 0.773 18824 1399 1 3 . 1 1 37 37 GLN N N 37 117.136 117.136 116.963 0.173 18824 1400 1 3 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.367 0.122 18824 1401 1 3 . 1 1 37 37 GLN C C 37 173.925 173.925 174.711 -0.786 18824 1402 1 3 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.798 0.008 18824 1403 1 3 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.660 0.183 18824 1404 1 3 . 1 1 37 37 GLN H H 37 8.885 8.885 8.151 0.734 18824 1405 1 3 . 1 1 38 38 TYR N N 38 119.053 119.053 117.668 1.385 18824 1406 1 3 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.076 0.119 18824 1407 1 3 . 1 1 38 38 TYR C C 38 176.110 176.110 175.487 0.623 18824 1408 1 3 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.038 -0.807 18824 1409 1 3 . 1 1 38 38 TYR CB C 38 41.982 41.982 41.997 -0.015 18824 1410 1 3 . 1 1 38 38 TYR H H 38 8.719 8.719 9.028 -0.309 18824 1411 1 3 . 1 1 39 39 ILE N N 39 120.624 120.624 122.029 -1.405 18824 1412 1 3 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.326 -0.076 18824 1413 1 3 . 1 1 39 39 ILE C C 39 175.797 175.797 176.677 -0.880 18824 1414 1 3 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.217 -1.986 18824 1415 1 3 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.475 -1.081 18824 1416 1 3 . 1 1 39 39 ILE H H 39 9.208 9.208 8.741 0.467 18824 1417 1 3 . 1 1 40 40 ARG N N 40 130.372 130.372 127.499 2.873 18824 1418 1 3 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.463 -0.376 18824 1419 1 3 . 1 1 40 40 ARG C C 40 174.846 174.846 175.842 -0.996 18824 1420 1 3 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.113 0.497 18824 1421 1 3 . 1 1 40 40 ARG CB C 40 31.315 31.315 31.956 -0.641 18824 1422 1 3 . 1 1 40 40 ARG H H 40 9.240 9.240 9.234 0.006 18824 1423 1 3 . 1 1 41 41 LEU N N 41 116.642 116.642 120.051 -3.409 18824 1424 1 3 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.700 -0.342 18824 1425 1 3 . 1 1 41 41 LEU C C 41 173.658 173.658 174.496 -0.838 18824 1426 1 3 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.576 0.109 18824 1427 1 3 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.547 -0.332 18824 1428 1 3 . 1 1 41 41 LEU H H 41 7.130 7.130 7.973 -0.843 18824 1429 1 3 . 1 1 42 42 VAL N N 42 125.934 125.934 124.351 1.583 18824 1430 1 3 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.733 -0.378 18824 1431 1 3 . 1 1 42 42 VAL C C 42 175.548 175.548 175.583 -0.035 18824 1432 1 3 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.576 0.677 18824 1433 1 3 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.952 -0.729 18824 1434 1 3 . 1 1 42 42 VAL H H 42 8.731 8.731 8.518 0.213 18824 1435 1 3 . 1 1 43 43 GLU N N 43 128.285 128.285 128.618 -0.333 18824 1436 1 3 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.453 -0.132 18824 1437 1 3 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.860 -0.200 18824 1438 1 3 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.668 -0.938 18824 1439 1 3 . 1 1 43 43 GLU H H 43 9.102 9.102 8.909 0.193 18824 1440 1 3 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.478 -0.037 18824 1441 1 3 . 1 1 44 44 PRO C C 44 178.222 178.222 177.576 0.646 18824 1442 1 3 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.428 -0.130 18824 1443 1 3 . 1 1 44 44 PRO CB C 44 31.388 31.388 31.163 0.225 18824 1444 1 3 . 1 1 45 45 GLY N N 45 113.166 113.166 113.995 -0.829 18824 1445 1 3 . 1 1 45 45 GLY C C 45 173.515 173.515 174.162 -0.647 18824 1446 1 3 . 1 1 45 45 GLY CA C 45 45.525 45.525 45.105 0.421 18824 1447 1 3 . 1 1 45 45 GLY H H 45 9.416 9.416 8.452 0.964 18824 1448 1 3 . 1 1 46 46 SER N N 46 114.219 114.219 115.351 -1.132 18824 1449 1 3 . 1 1 46 46 SER HA H 46 4.670 4.670 5.100 -0.430 18824 1450 1 3 . 1 1 46 46 SER CA C 46 57.103 57.103 55.727 1.376 18824 1451 1 3 . 1 1 46 46 SER CB C 46 64.458 64.458 64.951 -0.493 18824 1452 1 3 . 1 1 46 46 SER H H 46 7.422 7.422 7.601 -0.179 18824 1453 1 3 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.275 0.012 18824 1454 1 3 . 1 1 47 47 PRO C C 47 179.487 179.487 178.027 1.460 18824 1455 1 3 . 1 1 47 47 PRO CA C 47 65.337 65.337 65.146 0.191 18824 1456 1 3 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.669 0.670 18824 1457 1 3 . 1 1 48 48 ALA N N 48 116.941 116.941 121.159 -4.218 18824 1458 1 3 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.927 -0.119 18824 1459 1 3 . 1 1 48 48 ALA C C 48 177.063 177.063 179.408 -2.345 18824 1460 1 3 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.333 -0.223 18824 1461 1 3 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.200 1.974 18824 1462 1 3 . 1 1 48 48 ALA H H 48 7.855 7.855 7.986 -0.131 18824 1463 1 3 . 1 1 49 49 GLU N N 49 120.064 120.064 117.840 2.224 18824 1464 1 3 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.058 -0.204 18824 1465 1 3 . 1 1 49 49 GLU C C 49 181.038 181.038 178.921 2.117 18824 1466 1 3 . 1 1 49 49 GLU CA C 49 59.181 59.181 59.155 0.026 18824 1467 1 3 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.448 0.222 18824 1468 1 3 . 1 1 49 49 GLU H H 49 7.732 7.732 7.766 -0.034 18824 1469 1 3 . 1 1 50 50 LYS N N 50 120.570 120.570 118.084 2.486 18824 1470 1 3 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.139 -0.215 18824 1471 1 3 . 1 1 50 50 LYS C C 50 177.580 177.580 178.047 -0.467 18824 1472 1 3 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.569 0.211 18824 1473 1 3 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.337 -0.534 18824 1474 1 3 . 1 1 50 50 LYS H H 50 8.156 8.156 7.536 0.620 18824 1475 1 3 . 1 1 51 51 ALA N N 51 117.482 117.482 117.884 -0.402 18824 1476 1 3 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.385 -0.077 18824 1477 1 3 . 1 1 51 51 ALA C C 51 177.509 177.509 176.802 0.707 18824 1478 1 3 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.420 -0.302 18824 1479 1 3 . 1 1 51 51 ALA CB C 51 20.195 20.195 20.084 0.111 18824 1480 1 3 . 1 1 51 51 ALA H H 51 7.730 7.730 7.466 0.264 18824 1481 1 3 . 1 1 52 52 GLY N N 52 103.549 103.549 105.647 -2.098 18824 1482 1 3 . 1 1 52 52 GLY C C 52 174.888 174.888 174.184 0.704 18824 1483 1 3 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.825 0.198 18824 1484 1 3 . 1 1 52 52 GLY H H 52 7.513 7.513 7.619 -0.106 18824 1485 1 3 . 1 1 53 53 LEU N N 53 120.806 120.806 121.113 -0.307 18824 1486 1 3 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.373 -0.517 18824 1487 1 3 . 1 1 53 53 LEU C C 53 174.692 174.692 174.902 -0.210 18824 1488 1 3 . 1 1 53 53 LEU CA C 53 55.190 55.190 54.365 0.825 18824 1489 1 3 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.703 0.291 18824 1490 1 3 . 1 1 53 53 LEU H H 53 7.420 7.420 8.160 -0.740 18824 1491 1 3 . 1 1 54 54 LEU N N 54 122.726 122.726 123.056 -0.330 18824 1492 1 3 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.704 -0.199 18824 1493 1 3 . 1 1 54 54 LEU C C 54 176.350 176.350 174.919 1.431 18824 1494 1 3 . 1 1 54 54 LEU CA C 54 52.981 52.981 53.835 -0.854 18824 1495 1 3 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.939 -1.375 18824 1496 1 3 . 1 1 54 54 LEU H H 54 8.546 8.546 8.112 0.434 18824 1497 1 3 . 1 1 55 55 ALA N N 55 122.735 122.735 126.344 -3.609 18824 1498 1 3 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.317 -0.586 18824 1499 1 3 . 1 1 55 55 ALA C C 55 179.077 179.077 177.674 1.403 18824 1500 1 3 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.291 -0.291 18824 1501 1 3 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.745 -0.677 18824 1502 1 3 . 1 1 55 55 ALA H H 55 8.551 8.551 8.492 0.059 18824 1503 1 3 . 1 1 56 56 GLY N N 56 112.553 112.553 113.090 -0.537 18824 1504 1 3 . 1 1 56 56 GLY C C 56 174.638 174.638 173.970 0.668 18824 1505 1 3 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.012 -0.531 18824 1506 1 3 . 1 1 56 56 GLY H H 56 9.450 9.450 8.330 1.120 18824 1507 1 3 . 1 1 57 57 ASP N N 57 121.912 121.912 124.341 -2.429 18824 1508 1 3 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.643 -0.096 18824 1509 1 3 . 1 1 57 57 ASP C C 57 174.539 174.539 175.142 -0.603 18824 1510 1 3 . 1 1 57 57 ASP CA C 57 55.157 55.157 56.134 -0.977 18824 1511 1 3 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.532 -0.048 18824 1512 1 3 . 1 1 57 57 ASP H H 57 7.948 7.948 8.029 -0.081 18824 1513 1 3 . 1 1 58 58 ARG N N 58 122.512 122.512 124.089 -1.577 18824 1514 1 3 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.700 -0.719 18824 1515 1 3 . 1 1 58 58 ARG C C 58 175.512 175.512 175.106 0.406 18824 1516 1 3 . 1 1 58 58 ARG CA C 58 55.169 55.169 56.069 -0.900 18824 1517 1 3 . 1 1 58 58 ARG CB C 58 32.435 32.435 31.932 0.503 18824 1518 1 3 . 1 1 58 58 ARG H H 58 8.570 8.570 8.451 0.119 18824 1519 1 3 . 1 1 59 59 LEU N N 59 126.506 126.506 128.292 -1.786 18824 1520 1 3 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.495 -0.436 18824 1521 1 3 . 1 1 59 59 LEU C C 59 174.420 174.420 175.116 -0.696 18824 1522 1 3 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.151 0.028 18824 1523 1 3 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.544 -0.069 18824 1524 1 3 . 1 1 59 59 LEU H H 59 7.917 7.917 8.689 -0.772 18824 1525 1 3 . 1 1 60 60 VAL N N 60 124.914 124.914 125.858 -0.944 18824 1526 1 3 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.039 -0.129 18824 1527 1 3 . 1 1 60 60 VAL CA C 60 63.788 63.788 63.713 0.075 18824 1528 1 3 . 1 1 60 60 VAL CB C 60 32.805 32.805 33.051 -0.246 18824 1529 1 3 . 1 1 60 60 VAL H H 60 8.781 8.781 9.122 -0.341 18824 1530 1 3 . 1 1 61 61 GLU N N 61 112.868 112.868 118.585 -5.717 18824 1531 1 3 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.093 0.119 18824 1532 1 3 . 1 1 61 61 GLU C C 61 175.717 175.717 174.304 1.413 18824 1533 1 3 . 1 1 61 61 GLU CA C 61 54.186 54.186 54.894 -0.708 18824 1534 1 3 . 1 1 61 61 GLU CB C 61 34.458 34.458 34.060 0.398 18824 1535 1 3 . 1 1 61 61 GLU H H 61 7.332 7.332 7.730 -0.398 18824 1536 1 3 . 1 1 62 62 VAL N N 62 118.357 118.357 123.441 -5.084 18824 1537 1 3 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.659 -0.337 18824 1538 1 3 . 1 1 62 62 VAL C C 62 175.495 175.495 175.350 0.145 18824 1539 1 3 . 1 1 62 62 VAL CA C 62 60.750 60.750 61.051 -0.301 18824 1540 1 3 . 1 1 62 62 VAL CB C 62 33.376 33.376 34.113 -0.737 18824 1541 1 3 . 1 1 62 62 VAL H H 62 8.342 8.342 8.912 -0.570 18824 1542 1 3 . 1 1 63 63 ASN N N 63 129.063 129.063 125.924 3.139 18824 1543 1 3 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.409 -0.230 18824 1544 1 3 . 1 1 63 63 ASN C C 63 175.051 175.051 175.416 -0.365 18824 1545 1 3 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.435 -0.791 18824 1546 1 3 . 1 1 63 63 ASN CB C 63 36.328 36.328 37.276 -0.948 18824 1547 1 3 . 1 1 63 63 ASN H H 63 9.830 9.830 9.506 0.324 18824 1548 1 3 . 1 1 64 64 GLY N N 64 103.346 103.346 101.894 1.452 18824 1549 1 3 . 1 1 64 64 GLY C C 64 173.276 173.276 173.242 0.034 18824 1550 1 3 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.121 -0.078 18824 1551 1 3 . 1 1 64 64 GLY H H 64 9.222 9.222 8.812 0.410 18824 1552 1 3 . 1 1 65 65 GLU N N 65 119.230 119.230 120.411 -1.181 18824 1553 1 3 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.627 -0.138 18824 1554 1 3 . 1 1 65 65 GLU C C 65 174.745 174.745 174.962 -0.217 18824 1555 1 3 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.557 0.134 18824 1556 1 3 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.691 -1.889 18824 1557 1 3 . 1 1 65 65 GLU H H 65 7.553 7.553 7.442 0.111 18824 1558 1 3 . 1 1 66 66 ASN N N 66 123.478 123.478 124.872 -1.394 18824 1559 1 3 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.700 -0.012 18824 1560 1 3 . 1 1 66 66 ASN C C 66 176.144 176.144 175.587 0.557 18824 1561 1 3 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.353 0.871 18824 1562 1 3 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.729 0.860 18824 1563 1 3 . 1 1 66 66 ASN H H 66 8.865 8.865 8.845 0.020 18824 1564 1 3 . 1 1 67 67 VAL N N 67 117.695 117.695 119.323 -1.628 18824 1565 1 3 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.813 -0.310 18824 1566 1 3 . 1 1 67 67 VAL C C 67 177.475 177.475 176.712 0.763 18824 1567 1 3 . 1 1 67 67 VAL CA C 67 59.756 59.756 60.816 -1.060 18824 1568 1 3 . 1 1 67 67 VAL CB C 67 31.321 31.321 31.140 0.181 18824 1569 1 3 . 1 1 67 67 VAL H H 67 8.210 8.210 8.829 -0.619 18824 1570 1 3 . 1 1 68 68 GLU N N 68 122.899 122.899 122.987 -0.088 18824 1571 1 3 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.162 -0.241 18824 1572 1 3 . 1 1 68 68 GLU C C 68 177.348 177.348 177.280 0.068 18824 1573 1 3 . 1 1 68 68 GLU CA C 68 59.762 59.762 59.851 -0.089 18824 1574 1 3 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.717 1.493 18824 1575 1 3 . 1 1 68 68 GLU H H 68 8.427 8.427 7.904 0.523 18824 1576 1 3 . 1 1 69 69 LYS N N 69 113.848 113.848 114.292 -0.444 18824 1577 1 3 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.714 -0.300 18824 1578 1 3 . 1 1 69 69 LYS C C 69 176.510 176.510 175.893 0.617 18824 1579 1 3 . 1 1 69 69 LYS CA C 69 54.675 54.675 55.305 -0.630 18824 1580 1 3 . 1 1 69 69 LYS CB C 69 31.762 31.762 33.369 -1.607 18824 1581 1 3 . 1 1 69 69 LYS H H 69 8.576 8.576 8.100 0.476 18824 1582 1 3 . 1 1 70 70 GLU N N 70 119.980 119.980 120.581 -0.601 18824 1583 1 3 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.313 0.048 18824 1584 1 3 . 1 1 70 70 GLU C C 70 176.831 176.831 175.811 1.020 18824 1585 1 3 . 1 1 70 70 GLU CA C 70 56.329 56.329 55.973 0.356 18824 1586 1 3 . 1 1 70 70 GLU CB C 70 31.293 31.293 30.335 0.958 18824 1587 1 3 . 1 1 70 70 GLU H H 70 6.994 6.994 7.433 -0.439 18824 1588 1 3 . 1 1 71 71 THR N N 71 110.696 110.696 108.105 2.591 18824 1589 1 3 . 1 1 71 71 THR HA H 71 4.270 4.270 4.863 -0.593 18824 1590 1 3 . 1 1 71 71 THR C C 71 174.812 174.812 175.804 -0.992 18824 1591 1 3 . 1 1 71 71 THR CA C 71 60.267 60.267 60.085 0.182 18824 1592 1 3 . 1 1 71 71 THR CB C 71 71.497 71.497 71.551 -0.054 18824 1593 1 3 . 1 1 71 71 THR H H 71 8.675 8.675 7.968 0.707 18824 1594 1 3 . 1 1 72 72 HIS N N 72 118.876 118.876 120.848 -1.972 18824 1595 1 3 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.074 -0.490 18824 1596 1 3 . 1 1 72 72 HIS C C 72 175.802 175.802 176.977 -1.175 18824 1597 1 3 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.577 -0.860 18824 1598 1 3 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.902 -1.618 18824 1599 1 3 . 1 1 72 72 HIS H H 72 9.171 9.171 9.025 0.146 18824 1600 1 3 . 1 1 73 73 GLN N N 73 115.563 115.563 118.280 -2.717 18824 1601 1 3 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.069 -0.300 18824 1602 1 3 . 1 1 73 73 GLN C C 73 179.060 179.060 178.281 0.779 18824 1603 1 3 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.227 -0.484 18824 1604 1 3 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.230 -0.437 18824 1605 1 3 . 1 1 73 73 GLN H H 73 8.666 8.666 8.774 -0.108 18824 1606 1 3 . 1 1 74 74 GLN N N 74 119.687 119.687 118.463 1.224 18824 1607 1 3 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.055 -0.218 18824 1608 1 3 . 1 1 74 74 GLN C C 74 179.309 179.309 178.851 0.458 18824 1609 1 3 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.765 -0.042 18824 1610 1 3 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.943 -0.189 18824 1611 1 3 . 1 1 74 74 GLN H H 74 7.614 7.614 7.619 -0.005 18824 1612 1 3 . 1 1 75 75 VAL N N 75 120.633 120.633 120.396 0.237 18824 1613 1 3 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.702 -0.378 18824 1614 1 3 . 1 1 75 75 VAL C C 75 178.031 178.031 177.677 0.354 18824 1615 1 3 . 1 1 75 75 VAL CA C 75 67.423 67.423 66.388 1.035 18824 1616 1 3 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.446 -0.377 18824 1617 1 3 . 1 1 75 75 VAL H H 75 8.289 8.289 8.133 0.156 18824 1618 1 3 . 1 1 76 76 VAL N N 76 118.966 118.966 120.570 -1.604 18824 1619 1 3 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.421 -0.093 18824 1620 1 3 . 1 1 76 76 VAL C C 76 178.739 178.739 177.902 0.837 18824 1621 1 3 . 1 1 76 76 VAL CA C 76 66.859 66.859 67.144 -0.285 18824 1622 1 3 . 1 1 76 76 VAL CB C 76 30.847 30.847 31.172 -0.325 18824 1623 1 3 . 1 1 76 76 VAL H H 76 8.364 8.364 8.314 0.050 18824 1624 1 3 . 1 1 77 77 SER N N 77 115.158 115.158 115.238 -0.080 18824 1625 1 3 . 1 1 77 77 SER HA H 77 3.994 3.994 4.152 -0.158 18824 1626 1 3 . 1 1 77 77 SER C C 77 176.849 176.849 176.742 0.107 18824 1627 1 3 . 1 1 77 77 SER CA C 77 62.162 62.162 62.406 -0.243 18824 1628 1 3 . 1 1 77 77 SER CB C 77 62.232 62.232 62.903 -0.671 18824 1629 1 3 . 1 1 77 77 SER H H 77 7.871 7.871 8.070 -0.199 18824 1630 1 3 . 1 1 78 78 ARG N N 78 121.310 121.310 121.084 0.226 18824 1631 1 3 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.106 -0.184 18824 1632 1 3 . 1 1 78 78 ARG C C 78 179.309 179.309 178.829 0.480 18824 1633 1 3 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.731 0.018 18824 1634 1 3 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.082 0.197 18824 1635 1 3 . 1 1 78 78 ARG H H 78 7.469 7.469 7.319 0.150 18824 1636 1 3 . 1 1 79 79 ILE N N 79 119.383 119.383 119.863 -0.480 18824 1637 1 3 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.758 -0.355 18824 1638 1 3 . 1 1 79 79 ILE C C 79 178.364 178.364 178.418 -0.054 18824 1639 1 3 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.535 -0.245 18824 1640 1 3 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.711 -0.487 18824 1641 1 3 . 1 1 79 79 ILE H H 79 7.759 7.759 8.038 -0.279 18824 1642 1 3 . 1 1 80 80 ARG N N 80 119.497 119.497 118.512 0.985 18824 1643 1 3 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.222 -0.244 18824 1644 1 3 . 1 1 80 80 ARG C C 80 177.544 177.544 177.471 0.073 18824 1645 1 3 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.523 1.207 18824 1646 1 3 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.736 0.091 18824 1647 1 3 . 1 1 80 80 ARG H H 80 8.407 8.407 8.094 0.313 18824 1648 1 3 . 1 1 81 81 ALA N N 81 118.814 118.814 120.192 -1.378 18824 1649 1 3 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.292 -0.231 18824 1650 1 3 . 1 1 81 81 ALA C C 81 177.473 177.473 177.111 0.362 18824 1651 1 3 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.865 -0.059 18824 1652 1 3 . 1 1 81 81 ALA CB C 81 18.604 18.604 19.099 -0.496 18824 1653 1 3 . 1 1 81 81 ALA H H 81 7.392 7.392 7.469 -0.077 18824 1654 1 3 . 1 1 82 82 ALA N N 82 121.771 121.771 121.100 0.671 18824 1655 1 3 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.268 0.042 18824 1656 1 3 . 1 1 82 82 ALA C C 82 177.384 177.384 177.657 -0.273 18824 1657 1 3 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.054 -0.450 18824 1658 1 3 . 1 1 82 82 ALA CB C 82 17.591 17.591 18.457 -0.866 18824 1659 1 3 . 1 1 82 82 ALA H H 82 7.182 7.182 7.124 0.058 18824 1660 1 3 . 1 1 83 83 LEU N N 83 122.357 122.357 125.628 -3.271 18824 1661 1 3 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.160 -0.169 18824 1662 1 3 . 1 1 83 83 LEU C C 83 177.366 177.366 178.250 -0.884 18824 1663 1 3 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.262 -0.285 18824 1664 1 3 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.294 -1.308 18824 1665 1 3 . 1 1 83 83 LEU H H 83 8.171 8.171 8.603 -0.432 18824 1666 1 3 . 1 1 84 84 ASN N N 84 114.897 114.897 116.031 -1.134 18824 1667 1 3 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.659 -0.041 18824 1668 1 3 . 1 1 84 84 ASN C C 84 173.651 173.651 174.116 -0.465 18824 1669 1 3 . 1 1 84 84 ASN CA C 84 54.194 54.194 54.503 -0.309 18824 1670 1 3 . 1 1 84 84 ASN CB C 84 39.903 39.903 39.742 0.161 18824 1671 1 3 . 1 1 84 84 ASN H H 84 8.565 8.565 8.488 0.077 18824 1672 1 3 . 1 1 85 85 ALA N N 85 124.026 124.026 120.093 3.933 18824 1673 1 3 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.129 -0.058 18824 1674 1 3 . 1 1 85 85 ALA C C 85 175.751 175.751 174.848 0.903 18824 1675 1 3 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.451 0.659 18824 1676 1 3 . 1 1 85 85 ALA CB C 85 21.156 21.156 22.354 -1.198 18824 1677 1 3 . 1 1 85 85 ALA H H 85 7.808 7.808 7.431 0.377 18824 1678 1 3 . 1 1 86 86 VAL N N 86 116.130 116.130 119.141 -3.011 18824 1679 1 3 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.507 0.085 18824 1680 1 3 . 1 1 86 86 VAL C C 86 171.876 171.876 173.831 -1.955 18824 1681 1 3 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.846 -0.098 18824 1682 1 3 . 1 1 86 86 VAL CB C 86 34.893 34.893 35.964 -1.071 18824 1683 1 3 . 1 1 86 86 VAL H H 86 8.432 8.432 8.809 -0.377 18824 1684 1 3 . 1 1 87 87 ARG N N 87 124.913 124.913 127.677 -2.764 18824 1685 1 3 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.776 0.222 18824 1686 1 3 . 1 1 87 87 ARG C C 87 175.316 175.316 174.751 0.565 18824 1687 1 3 . 1 1 87 87 ARG CA C 87 53.991 53.991 54.569 -0.578 18824 1688 1 3 . 1 1 87 87 ARG CB C 87 31.805 31.805 31.135 0.670 18824 1689 1 3 . 1 1 87 87 ARG H H 87 8.255 8.255 9.426 -1.171 18824 1690 1 3 . 1 1 88 88 LEU N N 88 125.141 125.141 125.635 -0.494 18824 1691 1 3 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.953 -0.003 18824 1692 1 3 . 1 1 88 88 LEU C C 88 173.836 173.836 175.058 -1.222 18824 1693 1 3 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.411 -1.030 18824 1694 1 3 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.394 -0.442 18824 1695 1 3 . 1 1 88 88 LEU H H 88 9.041 9.041 9.034 0.007 18824 1696 1 3 . 1 1 89 89 LEU N N 89 126.927 126.927 128.017 -1.090 18824 1697 1 3 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.736 0.441 18824 1698 1 3 . 1 1 89 89 LEU C C 89 175.726 175.726 174.816 0.910 18824 1699 1 3 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.828 -0.119 18824 1700 1 3 . 1 1 89 89 LEU CB C 89 43.514 43.514 43.712 -0.198 18824 1701 1 3 . 1 1 89 89 LEU H H 89 8.484 8.484 8.839 -0.355 18824 1702 1 3 . 1 1 90 90 VAL N N 90 119.770 119.770 122.876 -3.106 18824 1703 1 3 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.388 0.050 18824 1704 1 3 . 1 1 90 90 VAL C C 90 174.157 174.157 173.459 0.698 18824 1705 1 3 . 1 1 90 90 VAL CA C 90 57.971 57.971 59.106 -1.135 18824 1706 1 3 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.955 0.901 18824 1707 1 3 . 1 1 90 90 VAL H H 90 9.001 9.001 7.973 1.028 18824 1708 1 3 . 1 1 91 91 VAL N N 91 112.698 112.698 120.164 -7.466 18824 1709 1 3 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.534 0.175 18824 1710 1 3 . 1 1 91 91 VAL C C 91 173.993 173.993 174.232 -0.239 18824 1711 1 3 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.427 -0.444 18824 1712 1 3 . 1 1 91 91 VAL CB C 91 35.466 35.466 35.983 -0.517 18824 1713 1 3 . 1 1 91 91 VAL H H 91 8.011 8.011 8.230 -0.219 18824 1714 1 3 . 1 1 92 92 ASP N N 92 127.066 127.066 129.391 -2.325 18824 1715 1 3 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.995 0.011 18824 1716 1 3 . 1 1 92 92 ASP CA C 92 53.078 53.078 52.777 0.301 18824 1717 1 3 . 1 1 92 92 ASP CB C 92 39.764 39.764 41.687 -1.923 18824 1718 1 3 . 1 1 92 92 ASP H H 92 7.878 7.878 8.819 -0.941 18824 1719 1 3 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.192 0.211 18824 1720 1 3 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.595 0.269 18824 1721 1 3 . 1 1 93 93 PRO CB C 93 32.221 32.221 32.097 0.124 18824 1722 1 3 . 1 1 94 94 GLU N N 94 119.504 119.504 117.307 2.197 18824 1723 1 3 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.551 -0.501 18824 1724 1 3 . 1 1 94 94 GLU C C 94 179.182 179.182 179.057 0.125 18824 1725 1 3 . 1 1 94 94 GLU CA C 94 59.218 59.218 58.869 0.349 18824 1726 1 3 . 1 1 94 94 GLU CB C 94 28.950 28.950 29.259 -0.309 18824 1727 1 3 . 1 1 94 94 GLU H H 94 8.156 8.156 8.390 -0.234 18824 1728 1 3 . 1 1 95 95 THR N N 95 120.651 120.651 117.399 3.252 18824 1729 1 3 . 1 1 95 95 THR HA H 95 3.751 3.751 4.040 -0.289 18824 1730 1 3 . 1 1 95 95 THR C C 95 175.888 175.888 176.134 -0.246 18824 1731 1 3 . 1 1 95 95 THR CA C 95 65.764 65.764 66.755 -0.991 18824 1732 1 3 . 1 1 95 95 THR CB C 95 67.338 67.338 68.816 -1.478 18824 1733 1 3 . 1 1 95 95 THR H H 95 8.315 8.315 7.605 0.710 18824 1734 1 3 . 1 1 96 96 ASP N N 96 120.554 120.554 121.997 -1.443 18824 1735 1 3 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.330 -0.097 18824 1736 1 3 . 1 1 96 96 ASP C C 96 178.275 178.275 178.140 0.135 18824 1737 1 3 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.913 -1.692 18824 1738 1 3 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.904 0.134 18824 1739 1 3 . 1 1 96 96 ASP H H 96 8.381 8.381 8.650 -0.269 18824 1740 1 3 . 1 1 97 97 GLU N N 97 117.457 117.457 118.871 -1.414 18824 1741 1 3 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.964 -0.099 18824 1742 1 3 . 1 1 97 97 GLU C C 97 178.790 178.790 179.366 -0.576 18824 1743 1 3 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.207 0.002 18824 1744 1 3 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.466 -0.420 18824 1745 1 3 . 1 1 97 97 GLU H H 97 7.727 7.727 7.681 0.046 18824 1746 1 3 . 1 1 98 98 GLN N N 98 118.704 118.704 118.317 0.387 18824 1747 1 3 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.135 -0.161 18824 1748 1 3 . 1 1 98 98 GLN C C 98 178.756 178.756 178.713 0.043 18824 1749 1 3 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.182 0.058 18824 1750 1 3 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.863 -0.931 18824 1751 1 3 . 1 1 98 98 GLN H H 98 7.733 7.733 7.419 0.314 18824 1752 1 3 . 1 1 99 99 LEU N N 99 119.242 119.242 119.431 -0.189 18824 1753 1 3 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.956 -0.042 18824 1754 1 3 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.461 0.258 18824 1755 1 3 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.560 -1.677 18824 1756 1 3 . 1 1 99 99 LEU H H 99 8.494 8.494 8.717 -0.223 18824 1757 1 3 . 1 1 100 100 GLN N N 100 118.689 118.689 118.361 0.328 18824 1758 1 3 . 1 1 100 100 GLN HA H 100 3.964 3.964 3.971 -0.007 18824 1759 1 3 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.938 -0.305 18824 1760 1 3 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.037 -0.319 18824 1761 1 3 . 1 1 100 100 GLN H H 100 8.202 8.202 8.624 -0.422 18824 1762 1 3 . 1 1 101 101 LYS N N 101 120.369 120.369 119.098 1.271 18824 1763 1 3 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.125 -0.191 18824 1764 1 3 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.108 0.634 18824 1765 1 3 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.362 -0.501 18824 1766 1 3 . 1 1 101 101 LYS H H 101 7.783 7.783 7.542 0.241 18824 1767 1 3 . 1 1 102 102 LEU N N 102 117.862 117.862 118.256 -0.394 18824 1768 1 3 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.054 0.103 18824 1769 1 3 . 1 1 102 102 LEU C C 102 177.526 177.526 177.713 -0.187 18824 1770 1 3 . 1 1 102 102 LEU CA C 102 55.174 55.174 56.116 -0.942 18824 1771 1 3 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.659 0.307 18824 1772 1 3 . 1 1 102 102 LEU H H 102 7.512 7.512 7.593 -0.081 18824 1773 1 3 . 1 1 103 103 GLY N N 103 108.863 108.863 105.200 3.663 18824 1774 1 3 . 1 1 103 103 GLY C C 103 174.353 174.353 172.912 1.441 18824 1775 1 3 . 1 1 103 103 GLY CA C 103 45.565 45.565 44.861 0.704 18824 1776 1 3 . 1 1 103 103 GLY H H 103 7.851 7.851 8.060 -0.209 18824 1777 1 3 . 1 1 104 104 VAL N N 104 120.506 120.506 123.595 -3.089 18824 1778 1 3 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.178 -0.326 18824 1779 1 3 . 1 1 104 104 VAL CA C 104 61.751 61.751 62.015 -0.264 18824 1780 1 3 . 1 1 104 104 VAL CB C 104 32.824 32.824 31.088 1.736 18824 1781 1 3 . 1 1 104 104 VAL H H 104 7.726 7.726 8.725 -0.999 18824 1782 1 3 . 1 1 105 105 GLN N N 105 124.776 124.776 126.394 -1.618 18824 1783 1 3 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.655 -0.548 18824 1784 1 3 . 1 1 105 105 GLN CA C 105 55.170 55.170 54.739 0.431 18824 1785 1 3 . 1 1 105 105 GLN CB C 105 28.783 28.783 28.911 -0.128 18824 1786 1 3 . 1 1 105 105 GLN H H 105 8.245 8.245 8.241 0.004 18824 1787 1 3 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.754 -0.293 18824 1788 1 3 . 1 1 106 106 VAL C C 106 179.182 179.182 176.547 2.635 18824 1789 1 3 . 1 1 106 106 VAL CA C 106 64.553 64.553 64.134 0.419 18824 1790 1 3 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.780 -1.472 18824 1791 1 3 . 1 1 106 106 VAL H H 106 8.504 8.504 8.051 0.453 18824 1792 1 3 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.008 0.232 18824 1793 1 3 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.348 -0.729 18824 1794 1 3 . 1 1 108 108 GLU CA C 108 59.746 59.746 57.117 2.629 18824 1795 1 3 . 1 1 108 108 GLU CB C 108 29.234 29.234 30.727 -1.494 18824 1796 1 3 . 1 1 108 108 GLU H H 108 8.690 8.690 7.902 0.788 18824 1797 1 3 . 1 1 110 110 LEU HA H 110 4.042 4.042 3.962 0.080 18824 1798 1 3 . 1 1 110 110 LEU CA C 110 56.360 56.360 56.809 -0.448 18824 1799 1 3 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.706 0.414 18824 1800 1 3 . 1 1 111 111 LEU N N 111 116.974 116.974 119.188 -2.214 18824 1801 1 3 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.054 0.029 18824 1802 1 3 . 1 1 111 111 LEU C C 111 177.598 177.598 178.857 -1.259 18824 1803 1 3 . 1 1 111 111 LEU CA C 111 55.628 55.628 57.580 -1.952 18824 1804 1 3 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.593 -0.616 18824 1805 1 3 . 1 1 111 111 LEU H H 111 7.791 7.791 7.531 0.260 18824 1806 1 3 . 1 1 112 112 ARG N N 112 119.231 119.231 117.920 1.311 18824 1807 1 3 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.240 -0.088 18824 1808 1 3 . 1 1 112 112 ARG C C 112 176.246 176.246 178.237 -1.991 18824 1809 1 3 . 1 1 112 112 ARG CA C 112 56.180 56.180 57.705 -1.525 18824 1810 1 3 . 1 1 112 112 ARG CB C 112 30.340 30.340 29.778 0.562 18824 1811 1 3 . 1 1 112 112 ARG H H 112 7.528 7.528 7.681 -0.153 18824 1812 1 3 . 1 1 113 113 ALA N N 113 123.896 123.896 121.977 1.919 18824 1813 1 3 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.233 -0.094 18824 1814 1 3 . 1 1 113 113 ALA C C 113 177.783 177.783 178.143 -0.360 18824 1815 1 3 . 1 1 113 113 ALA CA C 113 52.649 52.649 54.152 -1.503 18824 1816 1 3 . 1 1 113 113 ALA CB C 113 18.618 18.618 18.814 -0.195 18824 1817 1 3 . 1 1 113 113 ALA H H 113 7.954 7.954 7.430 0.524 18824 1818 1 3 . 1 1 114 114 GLN N N 114 118.555 118.555 116.471 2.084 18824 1819 1 3 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.217 -0.058 18824 1820 1 3 . 1 1 114 114 GLN C C 114 175.815 175.815 175.485 0.330 18824 1821 1 3 . 1 1 114 114 GLN CA C 114 55.551 55.551 55.652 -0.101 18824 1822 1 3 . 1 1 114 114 GLN CB C 114 29.023 29.023 28.885 0.138 18824 1823 1 3 . 1 1 114 114 GLN H H 114 8.121 8.121 8.136 -0.015 18824 1824 1 3 . 1 1 115 115 GLU N N 115 121.589 121.589 118.935 2.654 18824 1825 1 3 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.509 -0.379 18824 1826 1 3 . 1 1 115 115 GLU C C 115 175.637 175.637 174.621 1.016 18824 1827 1 3 . 1 1 115 115 GLU CA C 115 55.779 55.779 54.859 0.920 18824 1828 1 3 . 1 1 115 115 GLU CB C 115 30.038 30.038 31.905 -1.867 18824 1829 1 3 . 1 1 115 115 GLU H H 115 8.164 8.164 7.273 0.891 18824 1830 1 3 . 1 1 116 116 ALA N N 116 126.435 126.435 122.579 3.856 18824 1831 1 3 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.789 -0.330 18824 1832 1 3 . 1 1 116 116 ALA CA C 116 50.094 50.094 50.204 -0.110 18824 1833 1 3 . 1 1 116 116 ALA CB C 116 17.622 17.622 19.872 -2.250 18824 1834 1 3 . 1 1 116 116 ALA H H 116 8.266 8.266 8.375 -0.109 18824 1835 1 3 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.480 -0.176 18824 1836 1 3 . 1 1 117 117 PRO C C 117 177.580 177.580 176.139 1.441 18824 1837 1 3 . 1 1 117 117 PRO CA C 117 62.789 62.789 63.067 -0.278 18824 1838 1 3 . 1 1 117 117 PRO CB C 117 31.812 31.812 30.012 1.800 18824 1839 1 3 . 1 1 118 118 GLY N N 118 109.304 109.304 109.912 -0.608 18824 1840 1 3 . 1 1 118 118 GLY C C 118 173.872 173.872 172.863 1.009 18824 1841 1 3 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.311 -0.297 18824 1842 1 3 . 1 1 118 118 GLY H H 118 8.425 8.425 8.031 0.394 18824 1843 1 3 . 1 1 119 119 GLN N N 119 120.070 120.070 120.800 -0.730 18824 1844 1 3 . 1 1 119 119 GLN HA H 119 4.214 4.214 5.004 -0.790 18824 1845 1 3 . 1 1 119 119 GLN C C 119 174.692 174.692 174.955 -0.263 18824 1846 1 3 . 1 1 119 119 GLN CA C 119 55.442 55.442 55.759 -0.317 18824 1847 1 3 . 1 1 119 119 GLN CB C 119 29.308 29.308 30.085 -0.777 18824 1848 1 3 . 1 1 119 119 GLN H H 119 8.081 8.081 8.939 -0.858 18824 1849 1 4 . 1 1 5 5 ILE N N 5 119.691 119.691 121.164 -1.473 18824 1850 1 4 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.285 -0.227 18824 1851 1 4 . 1 1 5 5 ILE C C 5 175.649 175.649 175.370 0.279 18824 1852 1 4 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.164 -0.568 18824 1853 1 4 . 1 1 5 5 ILE CB C 5 38.674 38.674 39.327 -0.653 18824 1854 1 4 . 1 1 5 5 ILE H H 5 8.370 8.370 8.187 0.183 18824 1855 1 4 . 1 1 6 6 ASP N N 6 126.564 126.564 126.217 0.347 18824 1856 1 4 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.856 -0.166 18824 1857 1 4 . 1 1 6 6 ASP CA C 6 52.261 52.261 51.809 0.452 18824 1858 1 4 . 1 1 6 6 ASP CB C 6 40.555 40.555 42.699 -2.144 18824 1859 1 4 . 1 1 6 6 ASP H H 6 8.373 8.373 8.394 -0.021 18824 1860 1 4 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.322 -0.162 18824 1861 1 4 . 1 1 7 7 PRO C C 7 176.417 176.417 176.187 0.230 18824 1862 1 4 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.945 -0.894 18824 1863 1 4 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.300 -0.620 18824 1864 1 4 . 1 1 8 8 PHE N N 8 117.858 117.858 115.616 2.242 18824 1865 1 4 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.664 -0.120 18824 1866 1 4 . 1 1 8 8 PHE CA C 8 57.253 57.253 58.162 -0.909 18824 1867 1 4 . 1 1 8 8 PHE CB C 8 38.444 38.444 42.150 -3.706 18824 1868 1 4 . 1 1 8 8 PHE H H 8 7.974 7.974 7.565 0.409 18824 1869 1 4 . 1 1 9 9 THR N N 9 112.459 112.459 118.779 -6.320 18824 1870 1 4 . 1 1 9 9 THR HA H 9 4.338 4.338 4.619 -0.281 18824 1871 1 4 . 1 1 9 9 THR C C 9 175.888 175.888 174.179 1.709 18824 1872 1 4 . 1 1 9 9 THR CA C 9 60.827 60.827 62.546 -1.719 18824 1873 1 4 . 1 1 9 9 THR CB C 9 69.387 69.387 69.698 -0.311 18824 1874 1 4 . 1 1 9 9 THR H H 9 7.927 7.927 8.646 -0.719 18824 1875 1 4 . 1 1 10 10 MET N N 10 121.338 121.338 126.559 -5.221 18824 1876 1 4 . 1 1 10 10 MET HA H 10 4.310 4.310 4.148 0.162 18824 1877 1 4 . 1 1 10 10 MET C C 10 174.386 174.386 174.939 -0.553 18824 1878 1 4 . 1 1 10 10 MET CA C 10 52.415 52.415 57.372 -4.957 18824 1879 1 4 . 1 1 10 10 MET H H 10 7.648 7.648 8.708 -1.060 18824 1880 1 4 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.416 0.274 18824 1881 1 4 . 1 1 11 11 LEU CA C 11 52.606 52.606 55.147 -2.541 18824 1882 1 4 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.359 3.720 18824 1883 1 4 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.543 0.074 18824 1884 1 4 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.517 -0.252 18824 1885 1 4 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.998 -1.172 18824 1886 1 4 . 1 1 13 13 ARG N N 13 118.005 118.005 118.785 -0.780 18824 1887 1 4 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.654 -0.270 18824 1888 1 4 . 1 1 13 13 ARG C C 13 173.498 173.498 174.805 -1.307 18824 1889 1 4 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.756 -0.081 18824 1890 1 4 . 1 1 13 13 ARG CB C 13 32.565 32.565 33.629 -1.064 18824 1891 1 4 . 1 1 13 13 ARG H H 13 8.484 8.484 8.038 0.446 18824 1892 1 4 . 1 1 14 14 LEU N N 14 124.897 124.897 124.931 -0.034 18824 1893 1 4 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.508 0.360 18824 1894 1 4 . 1 1 14 14 LEU C C 14 176.144 176.144 176.220 -0.076 18824 1895 1 4 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.602 -1.555 18824 1896 1 4 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.439 0.518 18824 1897 1 4 . 1 1 14 14 LEU H H 14 8.520 8.520 8.514 0.006 18824 1898 1 4 . 1 1 15 15 CYS N N 15 127.167 127.167 128.205 -1.038 18824 1899 1 4 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.617 -0.026 18824 1900 1 4 . 1 1 15 15 CYS C C 15 173.408 173.408 174.066 -0.658 18824 1901 1 4 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.460 -1.006 18824 1902 1 4 . 1 1 15 15 CYS CB C 15 29.325 29.325 28.149 1.175 18824 1903 1 4 . 1 1 15 15 CYS H H 15 9.247 9.247 9.288 -0.041 18824 1904 1 4 . 1 1 16 16 CYS N N 16 125.133 125.133 126.037 -0.904 18824 1905 1 4 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.491 -0.755 18824 1906 1 4 . 1 1 16 16 CYS C C 16 172.784 172.784 174.280 -1.496 18824 1907 1 4 . 1 1 16 16 CYS CA C 16 58.040 58.040 55.977 2.063 18824 1908 1 4 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.112 0.130 18824 1909 1 4 . 1 1 16 16 CYS H H 16 9.049 9.049 8.933 0.116 18824 1910 1 4 . 1 1 17 17 LEU N N 17 124.624 124.624 121.914 2.710 18824 1911 1 4 . 1 1 17 17 LEU HA H 17 4.652 4.652 5.003 -0.351 18824 1912 1 4 . 1 1 17 17 LEU C C 17 175.672 175.672 175.311 0.361 18824 1913 1 4 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.246 1.978 18824 1914 1 4 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.838 -0.796 18824 1915 1 4 . 1 1 17 17 LEU H H 17 8.750 8.750 8.292 0.458 18824 1916 1 4 . 1 1 18 18 GLU N N 18 121.610 121.610 119.867 1.743 18824 1917 1 4 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.804 -0.044 18824 1918 1 4 . 1 1 18 18 GLU C C 18 175.548 175.548 176.166 -0.618 18824 1919 1 4 . 1 1 18 18 GLU CA C 18 54.861 54.861 55.326 -0.465 18824 1920 1 4 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.405 -0.093 18824 1921 1 4 . 1 1 18 18 GLU H H 18 8.304 8.304 8.545 -0.241 18824 1922 1 4 . 1 1 19 19 LYS N N 19 123.922 123.922 127.122 -3.200 18824 1923 1 4 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.913 -0.803 18824 1924 1 4 . 1 1 19 19 LYS C C 19 176.635 176.635 176.533 0.102 18824 1925 1 4 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.049 2.439 18824 1926 1 4 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.665 -0.340 18824 1927 1 4 . 1 1 19 19 LYS H H 19 8.131 8.131 8.571 -0.440 18824 1928 1 4 . 1 1 20 20 GLY N N 20 112.282 112.282 115.021 -2.739 18824 1929 1 4 . 1 1 20 20 GLY CA C 20 44.045 44.045 44.254 -0.209 18824 1930 1 4 . 1 1 20 20 GLY H H 20 6.955 6.955 8.587 -1.632 18824 1931 1 4 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.351 -0.174 18824 1932 1 4 . 1 1 21 21 PRO C C 21 177.081 177.081 176.449 0.632 18824 1933 1 4 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.326 -0.004 18824 1934 1 4 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.821 -0.240 18824 1935 1 4 . 1 1 22 22 ASN N N 22 114.637 114.637 115.309 -0.672 18824 1936 1 4 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.773 0.146 18824 1937 1 4 . 1 1 22 22 ASN C C 22 175.102 175.102 174.734 0.368 18824 1938 1 4 . 1 1 22 22 ASN CA C 22 51.618 51.618 51.779 -0.161 18824 1939 1 4 . 1 1 22 22 ASN CB C 22 38.930 38.930 37.847 1.083 18824 1940 1 4 . 1 1 22 22 ASN H H 22 8.462 8.462 8.138 0.324 18824 1941 1 4 . 1 1 23 23 GLY N N 23 107.193 107.193 108.704 -1.511 18824 1942 1 4 . 1 1 23 23 GLY C C 23 174.932 174.932 173.308 1.624 18824 1943 1 4 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.592 -1.166 18824 1944 1 4 . 1 1 23 23 GLY H H 23 7.499 7.499 7.640 -0.141 18824 1945 1 4 . 1 1 24 24 TYR N N 24 119.910 119.910 122.489 -2.579 18824 1946 1 4 . 1 1 24 24 TYR HA H 24 4.309 4.309 5.008 -0.699 18824 1947 1 4 . 1 1 24 24 TYR C C 24 177.188 177.188 175.680 1.508 18824 1948 1 4 . 1 1 24 24 TYR CA C 24 60.745 60.745 57.150 3.595 18824 1949 1 4 . 1 1 24 24 TYR CB C 24 40.447 40.447 41.740 -1.293 18824 1950 1 4 . 1 1 24 24 TYR H H 24 8.894 8.894 8.080 0.814 18824 1951 1 4 . 1 1 25 25 GLY N N 25 104.016 104.016 106.496 -2.480 18824 1952 1 4 . 1 1 25 25 GLY C C 25 173.020 173.020 172.945 0.075 18824 1953 1 4 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.279 0.242 18824 1954 1 4 . 1 1 25 25 GLY H H 25 8.394 8.394 8.421 -0.027 18824 1955 1 4 . 1 1 26 26 PHE N N 26 110.891 110.891 117.694 -6.803 18824 1956 1 4 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.702 -0.063 18824 1957 1 4 . 1 1 26 26 PHE C C 26 172.250 172.250 174.138 -1.888 18824 1958 1 4 . 1 1 26 26 PHE CA C 26 54.106 54.106 53.964 0.142 18824 1959 1 4 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.364 0.326 18824 1960 1 4 . 1 1 26 26 PHE H H 26 6.711 6.711 7.538 -0.827 18824 1961 1 4 . 1 1 27 27 HIS N N 27 118.261 118.261 121.859 -3.598 18824 1962 1 4 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.770 0.014 18824 1963 1 4 . 1 1 27 27 HIS C C 27 174.659 174.659 173.727 0.932 18824 1964 1 4 . 1 1 27 27 HIS CA C 27 54.557 54.557 54.926 -0.369 18824 1965 1 4 . 1 1 27 27 HIS CB C 27 32.844 32.844 31.692 1.152 18824 1966 1 4 . 1 1 27 27 HIS H H 27 7.964 7.964 9.558 -1.594 18824 1967 1 4 . 1 1 28 28 LEU N N 28 125.694 125.694 127.327 -1.633 18824 1968 1 4 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.188 0.297 18824 1969 1 4 . 1 1 28 28 LEU C C 28 176.849 176.849 175.829 1.020 18824 1970 1 4 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.589 0.074 18824 1971 1 4 . 1 1 28 28 LEU CB C 28 45.031 45.031 44.597 0.434 18824 1972 1 4 . 1 1 28 28 LEU H H 28 9.554 9.554 8.741 0.813 18824 1973 1 4 . 1 1 29 29 HIS N N 29 119.263 119.263 122.817 -3.554 18824 1974 1 4 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.043 -0.282 18824 1975 1 4 . 1 1 29 29 HIS C C 29 173.447 173.447 173.917 -0.470 18824 1976 1 4 . 1 1 29 29 HIS CA C 29 55.791 55.791 54.066 1.725 18824 1977 1 4 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.042 -0.206 18824 1978 1 4 . 1 1 29 29 HIS H H 29 9.625 9.625 9.646 -0.021 18824 1979 1 4 . 1 1 30 30 GLY N N 30 110.254 110.254 110.554 -0.300 18824 1980 1 4 . 1 1 30 30 GLY C C 30 172.917 172.917 173.894 -0.977 18824 1981 1 4 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.267 -0.284 18824 1982 1 4 . 1 1 30 30 GLY H H 30 8.403 8.403 8.641 -0.238 18824 1983 1 4 . 1 1 31 31 GLU N N 31 119.753 119.753 123.171 -3.418 18824 1984 1 4 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.190 0.093 18824 1985 1 4 . 1 1 31 31 GLU C C 31 175.939 175.939 176.759 -0.820 18824 1986 1 4 . 1 1 31 31 GLU CA C 31 54.431 54.431 56.868 -2.437 18824 1987 1 4 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.600 1.743 18824 1988 1 4 . 1 1 31 31 GLU H H 31 9.060 9.060 8.459 0.601 18824 1989 1 4 . 1 1 32 32 LYS N N 32 124.046 124.046 126.317 -2.271 18824 1990 1 4 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.023 -0.109 18824 1991 1 4 . 1 1 32 32 LYS C C 32 177.776 177.776 177.299 0.477 18824 1992 1 4 . 1 1 32 32 LYS CA C 32 57.714 57.714 57.791 -0.077 18824 1993 1 4 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.184 -0.353 18824 1994 1 4 . 1 1 32 32 LYS H H 32 8.424 8.424 8.596 -0.172 18824 1995 1 4 . 1 1 33 33 GLY N N 33 113.177 113.177 113.733 -0.556 18824 1996 1 4 . 1 1 33 33 GLY C C 33 173.408 173.408 174.666 -1.258 18824 1997 1 4 . 1 1 33 33 GLY CA C 33 45.033 45.033 44.811 0.222 18824 1998 1 4 . 1 1 33 33 GLY H H 33 8.856 8.856 8.522 0.334 18824 1999 1 4 . 1 1 34 34 LYS N N 34 118.719 118.719 121.956 -3.237 18824 2000 1 4 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.423 0.217 18824 2001 1 4 . 1 1 34 34 LYS C C 34 176.528 176.528 177.020 -0.492 18824 2002 1 4 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.755 -1.198 18824 2003 1 4 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.036 1.827 18824 2004 1 4 . 1 1 34 34 LYS H H 34 7.790 7.790 7.759 0.031 18824 2005 1 4 . 1 1 35 35 LEU N N 35 124.084 124.084 116.383 7.701 18824 2006 1 4 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.699 -0.214 18824 2007 1 4 . 1 1 35 35 LEU C C 35 177.646 177.646 175.752 1.894 18824 2008 1 4 . 1 1 35 35 LEU CA C 35 54.662 54.662 53.582 1.080 18824 2009 1 4 . 1 1 35 35 LEU CB C 35 42.676 42.676 41.467 1.209 18824 2010 1 4 . 1 1 35 35 LEU H H 35 8.759 8.759 8.725 0.034 18824 2011 1 4 . 1 1 36 36 GLY N N 36 110.962 110.962 105.461 5.501 18824 2012 1 4 . 1 1 36 36 GLY C C 36 173.070 173.070 172.631 0.439 18824 2013 1 4 . 1 1 36 36 GLY CA C 36 44.526 44.526 44.574 -0.048 18824 2014 1 4 . 1 1 36 36 GLY H H 36 8.533 8.533 7.357 1.176 18824 2015 1 4 . 1 1 37 37 GLN N N 37 117.136 117.136 117.844 -0.708 18824 2016 1 4 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.657 -0.168 18824 2017 1 4 . 1 1 37 37 GLN C C 37 173.925 173.925 174.515 -0.590 18824 2018 1 4 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.496 0.310 18824 2019 1 4 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.686 0.157 18824 2020 1 4 . 1 1 37 37 GLN H H 37 8.885 8.885 8.312 0.573 18824 2021 1 4 . 1 1 38 38 TYR N N 38 119.053 119.053 117.544 1.509 18824 2022 1 4 . 1 1 38 38 TYR HA H 38 5.195 5.195 4.812 0.383 18824 2023 1 4 . 1 1 38 38 TYR C C 38 176.110 176.110 174.901 1.209 18824 2024 1 4 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.508 -1.278 18824 2025 1 4 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.152 -0.170 18824 2026 1 4 . 1 1 38 38 TYR H H 38 8.719 8.719 8.776 -0.057 18824 2027 1 4 . 1 1 39 39 ILE N N 39 120.624 120.624 122.332 -1.708 18824 2028 1 4 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.472 -0.222 18824 2029 1 4 . 1 1 39 39 ILE C C 39 175.797 175.797 177.131 -1.334 18824 2030 1 4 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.142 -1.911 18824 2031 1 4 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.756 -1.362 18824 2032 1 4 . 1 1 39 39 ILE H H 39 9.208 9.208 9.976 -0.768 18824 2033 1 4 . 1 1 40 40 ARG N N 40 130.372 130.372 129.138 1.234 18824 2034 1 4 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.411 -0.324 18824 2035 1 4 . 1 1 40 40 ARG C C 40 174.846 174.846 175.643 -0.797 18824 2036 1 4 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.668 -0.058 18824 2037 1 4 . 1 1 40 40 ARG CB C 40 31.315 31.315 32.144 -0.829 18824 2038 1 4 . 1 1 40 40 ARG H H 40 9.240 9.240 9.522 -0.282 18824 2039 1 4 . 1 1 41 41 LEU N N 41 116.642 116.642 118.492 -1.850 18824 2040 1 4 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.533 -0.175 18824 2041 1 4 . 1 1 41 41 LEU C C 41 173.658 173.658 174.339 -0.681 18824 2042 1 4 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.723 -0.038 18824 2043 1 4 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.387 -0.172 18824 2044 1 4 . 1 1 41 41 LEU H H 41 7.130 7.130 7.785 -0.655 18824 2045 1 4 . 1 1 42 42 VAL N N 42 125.934 125.934 122.743 3.191 18824 2046 1 4 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.761 -0.406 18824 2047 1 4 . 1 1 42 42 VAL C C 42 175.548 175.548 174.677 0.871 18824 2048 1 4 . 1 1 42 42 VAL CA C 42 61.253 61.253 59.674 1.579 18824 2049 1 4 . 1 1 42 42 VAL CB C 42 33.223 33.223 34.183 -0.960 18824 2050 1 4 . 1 1 42 42 VAL H H 42 8.731 8.731 8.289 0.442 18824 2051 1 4 . 1 1 43 43 GLU N N 43 128.285 128.285 129.489 -1.204 18824 2052 1 4 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.492 -0.171 18824 2053 1 4 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.924 -0.264 18824 2054 1 4 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.526 -0.797 18824 2055 1 4 . 1 1 43 43 GLU H H 43 9.102 9.102 9.129 -0.027 18824 2056 1 4 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.479 -0.039 18824 2057 1 4 . 1 1 44 44 PRO C C 44 178.222 178.222 177.399 0.823 18824 2058 1 4 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.507 -0.209 18824 2059 1 4 . 1 1 44 44 PRO CB C 44 31.388 31.388 31.124 0.264 18824 2060 1 4 . 1 1 45 45 GLY N N 45 113.166 113.166 115.225 -2.059 18824 2061 1 4 . 1 1 45 45 GLY C C 45 173.515 173.515 174.269 -0.754 18824 2062 1 4 . 1 1 45 45 GLY CA C 45 45.525 45.525 44.921 0.604 18824 2063 1 4 . 1 1 45 45 GLY H H 45 9.416 9.416 9.634 -0.218 18824 2064 1 4 . 1 1 46 46 SER N N 46 114.219 114.219 116.970 -2.751 18824 2065 1 4 . 1 1 46 46 SER HA H 46 4.670 4.670 5.006 -0.336 18824 2066 1 4 . 1 1 46 46 SER CA C 46 57.103 57.103 56.216 0.887 18824 2067 1 4 . 1 1 46 46 SER CB C 46 64.458 64.458 64.588 -0.130 18824 2068 1 4 . 1 1 46 46 SER H H 46 7.422 7.422 7.718 -0.296 18824 2069 1 4 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.390 -0.103 18824 2070 1 4 . 1 1 47 47 PRO C C 47 179.487 179.487 177.764 1.723 18824 2071 1 4 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.691 0.646 18824 2072 1 4 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.658 0.681 18824 2073 1 4 . 1 1 48 48 ALA N N 48 116.941 116.941 122.565 -5.624 18824 2074 1 4 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.987 -0.179 18824 2075 1 4 . 1 1 48 48 ALA C C 48 177.063 177.063 179.266 -2.203 18824 2076 1 4 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.282 -0.172 18824 2077 1 4 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.366 1.808 18824 2078 1 4 . 1 1 48 48 ALA H H 48 7.855 7.855 7.849 0.006 18824 2079 1 4 . 1 1 49 49 GLU N N 49 120.064 120.064 117.204 2.860 18824 2080 1 4 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.052 -0.198 18824 2081 1 4 . 1 1 49 49 GLU C C 49 181.038 181.038 178.797 2.241 18824 2082 1 4 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.678 0.503 18824 2083 1 4 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.573 0.097 18824 2084 1 4 . 1 1 49 49 GLU H H 49 7.732 7.732 7.781 -0.049 18824 2085 1 4 . 1 1 50 50 LYS N N 50 120.570 120.570 117.399 3.171 18824 2086 1 4 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.153 -0.229 18824 2087 1 4 . 1 1 50 50 LYS C C 50 177.580 177.580 178.135 -0.555 18824 2088 1 4 . 1 1 50 50 LYS CA C 50 58.780 58.780 57.577 1.203 18824 2089 1 4 . 1 1 50 50 LYS CB C 50 31.804 31.804 31.809 -0.005 18824 2090 1 4 . 1 1 50 50 LYS H H 50 8.156 8.156 7.448 0.708 18824 2091 1 4 . 1 1 51 51 ALA N N 51 117.482 117.482 117.511 -0.029 18824 2092 1 4 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.274 0.034 18824 2093 1 4 . 1 1 51 51 ALA C C 51 177.509 177.509 176.955 0.554 18824 2094 1 4 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.643 -0.525 18824 2095 1 4 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.733 0.462 18824 2096 1 4 . 1 1 51 51 ALA H H 51 7.730 7.730 7.375 0.355 18824 2097 1 4 . 1 1 52 52 GLY N N 52 103.549 103.549 105.037 -1.488 18824 2098 1 4 . 1 1 52 52 GLY C C 52 174.888 174.888 174.601 0.287 18824 2099 1 4 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.655 0.368 18824 2100 1 4 . 1 1 52 52 GLY H H 52 7.513 7.513 7.467 0.046 18824 2101 1 4 . 1 1 53 53 LEU N N 53 120.806 120.806 121.452 -0.646 18824 2102 1 4 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.462 -0.606 18824 2103 1 4 . 1 1 53 53 LEU C C 53 174.692 174.692 175.741 -1.049 18824 2104 1 4 . 1 1 53 53 LEU CA C 53 55.190 55.190 54.575 0.615 18824 2105 1 4 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.886 0.107 18824 2106 1 4 . 1 1 53 53 LEU H H 53 7.420 7.420 7.794 -0.374 18824 2107 1 4 . 1 1 54 54 LEU N N 54 122.726 122.726 120.974 1.752 18824 2108 1 4 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.647 -0.142 18824 2109 1 4 . 1 1 54 54 LEU C C 54 176.350 176.350 175.301 1.049 18824 2110 1 4 . 1 1 54 54 LEU CA C 54 52.981 52.981 54.135 -1.154 18824 2111 1 4 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.035 -0.471 18824 2112 1 4 . 1 1 54 54 LEU H H 54 8.546 8.546 8.397 0.149 18824 2113 1 4 . 1 1 55 55 ALA N N 55 122.735 122.735 127.394 -4.659 18824 2114 1 4 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.402 -0.671 18824 2115 1 4 . 1 1 55 55 ALA C C 55 179.077 179.077 177.257 1.820 18824 2116 1 4 . 1 1 55 55 ALA CA C 55 53.000 53.000 52.762 0.238 18824 2117 1 4 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.517 -0.449 18824 2118 1 4 . 1 1 55 55 ALA H H 55 8.551 8.551 8.554 -0.003 18824 2119 1 4 . 1 1 56 56 GLY N N 56 112.553 112.553 111.549 1.004 18824 2120 1 4 . 1 1 56 56 GLY C C 56 174.638 174.638 172.919 1.719 18824 2121 1 4 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.248 -0.767 18824 2122 1 4 . 1 1 56 56 GLY H H 56 9.450 9.450 8.310 1.140 18824 2123 1 4 . 1 1 57 57 ASP N N 57 121.912 121.912 120.097 1.815 18824 2124 1 4 . 1 1 57 57 ASP HA H 57 4.547 4.547 5.156 -0.609 18824 2125 1 4 . 1 1 57 57 ASP C C 57 174.539 174.539 174.640 -0.101 18824 2126 1 4 . 1 1 57 57 ASP CA C 57 55.157 55.157 52.248 2.909 18824 2127 1 4 . 1 1 57 57 ASP CB C 57 41.484 41.484 43.183 -1.699 18824 2128 1 4 . 1 1 57 57 ASP H H 57 7.948 7.948 7.717 0.231 18824 2129 1 4 . 1 1 58 58 ARG N N 58 122.512 122.512 118.765 3.747 18824 2130 1 4 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.815 -0.834 18824 2131 1 4 . 1 1 58 58 ARG C C 58 175.512 175.512 174.981 0.531 18824 2132 1 4 . 1 1 58 58 ARG CA C 58 55.169 55.169 54.861 0.308 18824 2133 1 4 . 1 1 58 58 ARG CB C 58 32.435 32.435 34.035 -1.600 18824 2134 1 4 . 1 1 58 58 ARG H H 58 8.570 8.570 8.162 0.408 18824 2135 1 4 . 1 1 59 59 LEU N N 59 126.506 126.506 129.157 -2.651 18824 2136 1 4 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.271 -0.212 18824 2137 1 4 . 1 1 59 59 LEU C C 59 174.420 174.420 175.586 -1.166 18824 2138 1 4 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.170 0.009 18824 2139 1 4 . 1 1 59 59 LEU CB C 59 42.475 42.475 41.746 0.729 18824 2140 1 4 . 1 1 59 59 LEU H H 59 7.917 7.917 8.542 -0.625 18824 2141 1 4 . 1 1 60 60 VAL N N 60 124.914 124.914 126.590 -1.676 18824 2142 1 4 . 1 1 60 60 VAL HA H 60 3.910 3.910 3.961 -0.051 18824 2143 1 4 . 1 1 60 60 VAL CA C 60 63.788 63.788 64.283 -0.495 18824 2144 1 4 . 1 1 60 60 VAL CB C 60 32.805 32.805 32.277 0.528 18824 2145 1 4 . 1 1 60 60 VAL H H 60 8.781 8.781 9.121 -0.340 18824 2146 1 4 . 1 1 61 61 GLU N N 61 112.868 112.868 118.032 -5.164 18824 2147 1 4 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.025 0.187 18824 2148 1 4 . 1 1 61 61 GLU C C 61 175.717 175.717 174.258 1.459 18824 2149 1 4 . 1 1 61 61 GLU CA C 61 54.186 54.186 55.310 -1.124 18824 2150 1 4 . 1 1 61 61 GLU CB C 61 34.458 34.458 33.809 0.649 18824 2151 1 4 . 1 1 61 61 GLU H H 61 7.332 7.332 7.671 -0.339 18824 2152 1 4 . 1 1 62 62 VAL N N 62 118.357 118.357 123.453 -5.096 18824 2153 1 4 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.876 -0.554 18824 2154 1 4 . 1 1 62 62 VAL C C 62 175.495 175.495 176.079 -0.584 18824 2155 1 4 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.874 -0.124 18824 2156 1 4 . 1 1 62 62 VAL CB C 62 33.376 33.376 33.579 -0.203 18824 2157 1 4 . 1 1 62 62 VAL H H 62 8.342 8.342 8.935 -0.593 18824 2158 1 4 . 1 1 63 63 ASN N N 63 129.063 129.063 128.455 0.608 18824 2159 1 4 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.325 -0.146 18824 2160 1 4 . 1 1 63 63 ASN C C 63 175.051 175.051 175.164 -0.113 18824 2161 1 4 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.516 -0.872 18824 2162 1 4 . 1 1 63 63 ASN CB C 63 36.328 36.328 37.115 -0.787 18824 2163 1 4 . 1 1 63 63 ASN H H 63 9.830 9.830 9.645 0.185 18824 2164 1 4 . 1 1 64 64 GLY N N 64 103.346 103.346 102.561 0.785 18824 2165 1 4 . 1 1 64 64 GLY C C 64 173.276 173.276 173.168 0.108 18824 2166 1 4 . 1 1 64 64 GLY CA C 64 45.043 45.043 44.979 0.064 18824 2167 1 4 . 1 1 64 64 GLY H H 64 9.222 9.222 8.595 0.627 18824 2168 1 4 . 1 1 65 65 GLU N N 65 119.230 119.230 120.382 -1.152 18824 2169 1 4 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.603 -0.114 18824 2170 1 4 . 1 1 65 65 GLU C C 65 174.745 174.745 175.064 -0.319 18824 2171 1 4 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.630 0.061 18824 2172 1 4 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.444 -1.642 18824 2173 1 4 . 1 1 65 65 GLU H H 65 7.553 7.553 7.660 -0.107 18824 2174 1 4 . 1 1 66 66 ASN N N 66 123.478 123.478 124.980 -1.502 18824 2175 1 4 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.650 0.038 18824 2176 1 4 . 1 1 66 66 ASN C C 66 176.144 176.144 175.295 0.849 18824 2177 1 4 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.525 0.699 18824 2178 1 4 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.733 0.857 18824 2179 1 4 . 1 1 66 66 ASN H H 66 8.865 8.865 8.901 -0.036 18824 2180 1 4 . 1 1 67 67 VAL N N 67 117.695 117.695 118.306 -0.611 18824 2181 1 4 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.537 -0.034 18824 2182 1 4 . 1 1 67 67 VAL C C 67 177.475 177.475 176.828 0.647 18824 2183 1 4 . 1 1 67 67 VAL CA C 67 59.756 59.756 60.379 -0.623 18824 2184 1 4 . 1 1 67 67 VAL CB C 67 31.321 31.321 32.346 -1.024 18824 2185 1 4 . 1 1 67 67 VAL H H 67 8.210 8.210 8.868 -0.658 18824 2186 1 4 . 1 1 68 68 GLU N N 68 122.899 122.899 122.270 0.629 18824 2187 1 4 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.033 -0.112 18824 2188 1 4 . 1 1 68 68 GLU C C 68 177.348 177.348 176.565 0.783 18824 2189 1 4 . 1 1 68 68 GLU CA C 68 59.762 59.762 59.702 0.060 18824 2190 1 4 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.965 1.245 18824 2191 1 4 . 1 1 68 68 GLU H H 68 8.427 8.427 7.928 0.499 18824 2192 1 4 . 1 1 69 69 LYS N N 69 113.848 113.848 113.722 0.126 18824 2193 1 4 . 1 1 69 69 LYS HA H 69 4.414 4.414 5.010 -0.596 18824 2194 1 4 . 1 1 69 69 LYS C C 69 176.510 176.510 175.946 0.564 18824 2195 1 4 . 1 1 69 69 LYS CA C 69 54.675 54.675 54.895 -0.221 18824 2196 1 4 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.226 -0.464 18824 2197 1 4 . 1 1 69 69 LYS H H 69 8.576 8.576 7.802 0.774 18824 2198 1 4 . 1 1 70 70 GLU N N 70 119.980 119.980 121.544 -1.564 18824 2199 1 4 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.663 -0.302 18824 2200 1 4 . 1 1 70 70 GLU C C 70 176.831 176.831 175.304 1.527 18824 2201 1 4 . 1 1 70 70 GLU CA C 70 56.329 56.329 54.457 1.872 18824 2202 1 4 . 1 1 70 70 GLU CB C 70 31.293 31.293 31.798 -0.505 18824 2203 1 4 . 1 1 70 70 GLU H H 70 6.994 6.994 7.726 -0.732 18824 2204 1 4 . 1 1 71 71 THR N N 71 110.696 110.696 110.929 -0.233 18824 2205 1 4 . 1 1 71 71 THR HA H 71 4.270 4.270 4.482 -0.212 18824 2206 1 4 . 1 1 71 71 THR C C 71 174.812 174.812 175.371 -0.559 18824 2207 1 4 . 1 1 71 71 THR CA C 71 60.267 60.267 60.074 0.193 18824 2208 1 4 . 1 1 71 71 THR CB C 71 71.497 71.497 70.362 1.135 18824 2209 1 4 . 1 1 71 71 THR H H 71 8.675 8.675 8.187 0.488 18824 2210 1 4 . 1 1 72 72 HIS N N 72 118.876 118.876 120.453 -1.577 18824 2211 1 4 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.343 -0.759 18824 2212 1 4 . 1 1 72 72 HIS C C 72 175.802 175.802 177.510 -1.708 18824 2213 1 4 . 1 1 72 72 HIS CA C 72 60.717 60.717 60.687 0.030 18824 2214 1 4 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.992 -1.708 18824 2215 1 4 . 1 1 72 72 HIS H H 72 9.171 9.171 8.740 0.431 18824 2216 1 4 . 1 1 73 73 GLN N N 73 115.563 115.563 117.461 -1.898 18824 2217 1 4 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.058 -0.289 18824 2218 1 4 . 1 1 73 73 GLN C C 73 179.060 179.060 178.833 0.227 18824 2219 1 4 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.185 -0.442 18824 2220 1 4 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.340 -0.547 18824 2221 1 4 . 1 1 73 73 GLN H H 73 8.666 8.666 8.788 -0.122 18824 2222 1 4 . 1 1 74 74 GLN N N 74 119.687 119.687 118.253 1.434 18824 2223 1 4 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.110 -0.273 18824 2224 1 4 . 1 1 74 74 GLN C C 74 179.309 179.309 178.721 0.588 18824 2225 1 4 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.446 0.277 18824 2226 1 4 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.738 0.016 18824 2227 1 4 . 1 1 74 74 GLN H H 74 7.614 7.614 7.909 -0.295 18824 2228 1 4 . 1 1 75 75 VAL N N 75 120.633 120.633 116.455 4.178 18824 2229 1 4 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.799 -0.475 18824 2230 1 4 . 1 1 75 75 VAL C C 75 178.031 178.031 177.932 0.099 18824 2231 1 4 . 1 1 75 75 VAL CA C 75 67.423 67.423 65.623 1.800 18824 2232 1 4 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.454 -0.385 18824 2233 1 4 . 1 1 75 75 VAL H H 75 8.289 8.289 7.559 0.730 18824 2234 1 4 . 1 1 76 76 VAL N N 76 118.966 118.966 120.653 -1.687 18824 2235 1 4 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.553 -0.225 18824 2236 1 4 . 1 1 76 76 VAL C C 76 178.739 178.739 177.610 1.129 18824 2237 1 4 . 1 1 76 76 VAL CA C 76 66.859 66.859 65.868 0.991 18824 2238 1 4 . 1 1 76 76 VAL CB C 76 30.847 30.847 30.542 0.305 18824 2239 1 4 . 1 1 76 76 VAL H H 76 8.364 8.364 8.432 -0.068 18824 2240 1 4 . 1 1 77 77 SER N N 77 115.158 115.158 114.696 0.462 18824 2241 1 4 . 1 1 77 77 SER HA H 77 3.994 3.994 4.129 -0.135 18824 2242 1 4 . 1 1 77 77 SER C C 77 176.849 176.849 176.719 0.130 18824 2243 1 4 . 1 1 77 77 SER CA C 77 62.162 62.162 61.391 0.771 18824 2244 1 4 . 1 1 77 77 SER CB C 77 62.232 62.232 62.744 -0.512 18824 2245 1 4 . 1 1 77 77 SER H H 77 7.871 7.871 7.666 0.205 18824 2246 1 4 . 1 1 78 78 ARG N N 78 121.310 121.310 120.983 0.327 18824 2247 1 4 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.043 -0.121 18824 2248 1 4 . 1 1 78 78 ARG C C 78 179.309 179.309 178.972 0.337 18824 2249 1 4 . 1 1 78 78 ARG CA C 78 58.749 58.749 59.070 -0.321 18824 2250 1 4 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.167 0.112 18824 2251 1 4 . 1 1 78 78 ARG H H 78 7.469 7.469 7.375 0.094 18824 2252 1 4 . 1 1 79 79 ILE N N 79 119.383 119.383 119.894 -0.511 18824 2253 1 4 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.824 -0.421 18824 2254 1 4 . 1 1 79 79 ILE C C 79 178.364 178.364 178.145 0.219 18824 2255 1 4 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.730 -0.440 18824 2256 1 4 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.660 -0.436 18824 2257 1 4 . 1 1 79 79 ILE H H 79 7.759 7.759 8.258 -0.499 18824 2258 1 4 . 1 1 80 80 ARG N N 80 119.497 119.497 117.697 1.800 18824 2259 1 4 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.224 -0.246 18824 2260 1 4 . 1 1 80 80 ARG C C 80 177.544 177.544 177.474 0.070 18824 2261 1 4 . 1 1 80 80 ARG CA C 80 58.730 58.730 56.926 1.804 18824 2262 1 4 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.715 0.113 18824 2263 1 4 . 1 1 80 80 ARG H H 80 8.407 8.407 7.788 0.619 18824 2264 1 4 . 1 1 81 81 ALA N N 81 118.814 118.814 120.483 -1.669 18824 2265 1 4 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.356 -0.295 18824 2266 1 4 . 1 1 81 81 ALA C C 81 177.473 177.473 177.530 -0.057 18824 2267 1 4 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.600 0.206 18824 2268 1 4 . 1 1 81 81 ALA CB C 81 18.604 18.604 19.120 -0.516 18824 2269 1 4 . 1 1 81 81 ALA H H 81 7.392 7.392 7.593 -0.201 18824 2270 1 4 . 1 1 82 82 ALA N N 82 121.771 121.771 121.832 -0.061 18824 2271 1 4 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.272 0.038 18824 2272 1 4 . 1 1 82 82 ALA C C 82 177.384 177.384 177.534 -0.150 18824 2273 1 4 . 1 1 82 82 ALA CA C 82 51.604 51.604 51.983 -0.379 18824 2274 1 4 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.192 -1.601 18824 2275 1 4 . 1 1 82 82 ALA H H 82 7.182 7.182 7.369 -0.187 18824 2276 1 4 . 1 1 83 83 LEU N N 83 122.357 122.357 126.009 -3.652 18824 2277 1 4 . 1 1 83 83 LEU HA H 83 3.991 3.991 3.981 0.010 18824 2278 1 4 . 1 1 83 83 LEU C C 83 177.366 177.366 178.407 -1.041 18824 2279 1 4 . 1 1 83 83 LEU CA C 83 56.977 56.977 58.712 -1.735 18824 2280 1 4 . 1 1 83 83 LEU CB C 83 40.986 40.986 41.779 -0.793 18824 2281 1 4 . 1 1 83 83 LEU H H 83 8.171 8.171 8.800 -0.629 18824 2282 1 4 . 1 1 84 84 ASN N N 84 114.897 114.897 112.287 2.610 18824 2283 1 4 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.716 -0.098 18824 2284 1 4 . 1 1 84 84 ASN C C 84 173.651 173.651 174.177 -0.526 18824 2285 1 4 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.520 0.674 18824 2286 1 4 . 1 1 84 84 ASN CB C 84 39.903 39.903 39.760 0.143 18824 2287 1 4 . 1 1 84 84 ASN H H 84 8.565 8.565 8.377 0.188 18824 2288 1 4 . 1 1 85 85 ALA N N 85 124.026 124.026 121.496 2.530 18824 2289 1 4 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.254 -0.183 18824 2290 1 4 . 1 1 85 85 ALA C C 85 175.751 175.751 175.011 0.740 18824 2291 1 4 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.669 0.441 18824 2292 1 4 . 1 1 85 85 ALA CB C 85 21.156 21.156 22.070 -0.914 18824 2293 1 4 . 1 1 85 85 ALA H H 85 7.808 7.808 7.534 0.274 18824 2294 1 4 . 1 1 86 86 VAL N N 86 116.130 116.130 119.993 -3.863 18824 2295 1 4 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.629 -0.037 18824 2296 1 4 . 1 1 86 86 VAL C C 86 171.876 171.876 174.151 -2.275 18824 2297 1 4 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.562 0.186 18824 2298 1 4 . 1 1 86 86 VAL CB C 86 34.893 34.893 35.717 -0.824 18824 2299 1 4 . 1 1 86 86 VAL H H 86 8.432 8.432 8.420 0.012 18824 2300 1 4 . 1 1 87 87 ARG N N 87 124.913 124.913 127.411 -2.498 18824 2301 1 4 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.948 0.050 18824 2302 1 4 . 1 1 87 87 ARG C C 87 175.316 175.316 174.974 0.342 18824 2303 1 4 . 1 1 87 87 ARG CA C 87 53.991 53.991 54.452 -0.461 18824 2304 1 4 . 1 1 87 87 ARG CB C 87 31.805 31.805 31.283 0.522 18824 2305 1 4 . 1 1 87 87 ARG H H 87 8.255 8.255 9.479 -1.224 18824 2306 1 4 . 1 1 88 88 LEU N N 88 125.141 125.141 125.725 -0.584 18824 2307 1 4 . 1 1 88 88 LEU HA H 88 4.950 4.950 5.117 -0.167 18824 2308 1 4 . 1 1 88 88 LEU C C 88 173.836 173.836 175.125 -1.289 18824 2309 1 4 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.358 -0.976 18824 2310 1 4 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.424 -0.472 18824 2311 1 4 . 1 1 88 88 LEU H H 88 9.041 9.041 9.168 -0.127 18824 2312 1 4 . 1 1 89 89 LEU N N 89 126.927 126.927 127.982 -1.055 18824 2313 1 4 . 1 1 89 89 LEU HA H 89 5.177 5.177 5.093 0.084 18824 2314 1 4 . 1 1 89 89 LEU C C 89 175.726 175.726 174.953 0.773 18824 2315 1 4 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.711 -0.002 18824 2316 1 4 . 1 1 89 89 LEU CB C 89 43.514 43.514 43.616 -0.102 18824 2317 1 4 . 1 1 89 89 LEU H H 89 8.484 8.484 8.847 -0.363 18824 2318 1 4 . 1 1 90 90 VAL N N 90 119.770 119.770 121.272 -1.502 18824 2319 1 4 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.410 0.028 18824 2320 1 4 . 1 1 90 90 VAL C C 90 174.157 174.157 173.606 0.551 18824 2321 1 4 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.771 -0.800 18824 2322 1 4 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.778 1.078 18824 2323 1 4 . 1 1 90 90 VAL H H 90 9.001 9.001 8.428 0.573 18824 2324 1 4 . 1 1 91 91 VAL N N 91 112.698 112.698 120.498 -7.800 18824 2325 1 4 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.501 0.208 18824 2326 1 4 . 1 1 91 91 VAL C C 91 173.993 173.993 173.876 0.117 18824 2327 1 4 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.876 -0.893 18824 2328 1 4 . 1 1 91 91 VAL CB C 91 35.466 35.466 36.646 -1.180 18824 2329 1 4 . 1 1 91 91 VAL H H 91 8.011 8.011 7.889 0.122 18824 2330 1 4 . 1 1 92 92 ASP N N 92 127.066 127.066 129.150 -2.084 18824 2331 1 4 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.981 0.025 18824 2332 1 4 . 1 1 92 92 ASP CA C 92 53.078 53.078 54.135 -1.057 18824 2333 1 4 . 1 1 92 92 ASP CB C 92 39.764 39.764 41.059 -1.295 18824 2334 1 4 . 1 1 92 92 ASP H H 92 7.878 7.878 8.833 -0.955 18824 2335 1 4 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.217 0.186 18824 2336 1 4 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.300 0.564 18824 2337 1 4 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.942 0.279 18824 2338 1 4 . 1 1 94 94 GLU N N 94 119.504 119.504 116.686 2.818 18824 2339 1 4 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.012 0.038 18824 2340 1 4 . 1 1 94 94 GLU C C 94 179.182 179.182 178.707 0.475 18824 2341 1 4 . 1 1 94 94 GLU CA C 94 59.218 59.218 60.121 -0.903 18824 2342 1 4 . 1 1 94 94 GLU CB C 94 28.950 28.950 28.445 0.505 18824 2343 1 4 . 1 1 94 94 GLU H H 94 8.156 8.156 8.824 -0.668 18824 2344 1 4 . 1 1 95 95 THR N N 95 120.651 120.651 116.925 3.726 18824 2345 1 4 . 1 1 95 95 THR HA H 95 3.751 3.751 4.205 -0.455 18824 2346 1 4 . 1 1 95 95 THR C C 95 175.888 175.888 176.199 -0.311 18824 2347 1 4 . 1 1 95 95 THR CA C 95 65.764 65.764 66.021 -0.257 18824 2348 1 4 . 1 1 95 95 THR CB C 95 67.338 67.338 68.542 -1.204 18824 2349 1 4 . 1 1 95 95 THR H H 95 8.315 8.315 7.544 0.771 18824 2350 1 4 . 1 1 96 96 ASP N N 96 120.554 120.554 121.771 -1.217 18824 2351 1 4 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.275 -0.042 18824 2352 1 4 . 1 1 96 96 ASP C C 96 178.275 178.275 178.035 0.240 18824 2353 1 4 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.882 -1.661 18824 2354 1 4 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.953 0.085 18824 2355 1 4 . 1 1 96 96 ASP H H 96 8.381 8.381 8.557 -0.176 18824 2356 1 4 . 1 1 97 97 GLU N N 97 117.457 117.457 119.292 -1.835 18824 2357 1 4 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.996 -0.131 18824 2358 1 4 . 1 1 97 97 GLU C C 97 178.790 178.790 178.757 0.033 18824 2359 1 4 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.195 0.014 18824 2360 1 4 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.821 -0.775 18824 2361 1 4 . 1 1 97 97 GLU H H 97 7.727 7.727 7.933 -0.206 18824 2362 1 4 . 1 1 98 98 GLN N N 98 118.704 118.704 118.614 0.090 18824 2363 1 4 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.088 -0.114 18824 2364 1 4 . 1 1 98 98 GLN C C 98 178.756 178.756 178.593 0.163 18824 2365 1 4 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.446 -0.205 18824 2366 1 4 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.439 -0.507 18824 2367 1 4 . 1 1 98 98 GLN H H 98 7.733 7.733 7.568 0.165 18824 2368 1 4 . 1 1 99 99 LEU N N 99 119.242 119.242 120.631 -1.389 18824 2369 1 4 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.881 0.034 18824 2370 1 4 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.293 0.426 18824 2371 1 4 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.560 -1.677 18824 2372 1 4 . 1 1 99 99 LEU H H 99 8.494 8.494 8.473 0.021 18824 2373 1 4 . 1 1 100 100 GLN N N 100 118.689 118.689 118.378 0.311 18824 2374 1 4 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.204 -0.240 18824 2375 1 4 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.151 0.483 18824 2376 1 4 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.326 -0.608 18824 2377 1 4 . 1 1 100 100 GLN H H 100 8.202 8.202 8.164 0.038 18824 2378 1 4 . 1 1 101 101 LYS N N 101 120.369 120.369 119.521 0.848 18824 2379 1 4 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.070 -0.136 18824 2380 1 4 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.326 0.416 18824 2381 1 4 . 1 1 101 101 LYS CB C 101 31.861 31.861 31.879 -0.018 18824 2382 1 4 . 1 1 101 101 LYS H H 101 7.783 7.783 7.722 0.061 18824 2383 1 4 . 1 1 102 102 LEU N N 102 117.862 117.862 116.664 1.198 18824 2384 1 4 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.226 -0.069 18824 2385 1 4 . 1 1 102 102 LEU C C 102 177.526 177.526 178.361 -0.835 18824 2386 1 4 . 1 1 102 102 LEU CA C 102 55.174 55.174 55.783 -0.609 18824 2387 1 4 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.672 0.293 18824 2388 1 4 . 1 1 102 102 LEU H H 102 7.512 7.512 7.320 0.192 18824 2389 1 4 . 1 1 103 103 GLY N N 103 108.863 108.863 104.112 4.751 18824 2390 1 4 . 1 1 103 103 GLY C C 103 174.353 174.353 173.024 1.329 18824 2391 1 4 . 1 1 103 103 GLY CA C 103 45.565 45.565 44.641 0.924 18824 2392 1 4 . 1 1 103 103 GLY H H 103 7.851 7.851 8.127 -0.276 18824 2393 1 4 . 1 1 104 104 VAL N N 104 120.506 120.506 120.674 -0.168 18824 2394 1 4 . 1 1 104 104 VAL HA H 104 3.852 3.852 3.804 0.048 18824 2395 1 4 . 1 1 104 104 VAL CA C 104 61.751 61.751 62.752 -1.000 18824 2396 1 4 . 1 1 104 104 VAL CB C 104 32.824 32.824 31.845 0.979 18824 2397 1 4 . 1 1 104 104 VAL H H 104 7.726 7.726 8.353 -0.627 18824 2398 1 4 . 1 1 105 105 GLN N N 105 124.776 124.776 126.812 -2.036 18824 2399 1 4 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.323 -0.216 18824 2400 1 4 . 1 1 105 105 GLN CA C 105 55.170 55.170 55.611 -0.441 18824 2401 1 4 . 1 1 105 105 GLN CB C 105 28.783 28.783 27.323 1.460 18824 2402 1 4 . 1 1 105 105 GLN H H 105 8.245 8.245 8.768 -0.523 18824 2403 1 4 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.643 -0.182 18824 2404 1 4 . 1 1 106 106 VAL C C 106 179.182 179.182 176.561 2.621 18824 2405 1 4 . 1 1 106 106 VAL CA C 106 64.553 64.553 65.665 -1.112 18824 2406 1 4 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.875 -1.566 18824 2407 1 4 . 1 1 106 106 VAL H H 106 8.504 8.504 7.819 0.685 18824 2408 1 4 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.058 0.182 18824 2409 1 4 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.369 -0.750 18824 2410 1 4 . 1 1 108 108 GLU CA C 108 59.746 59.746 56.918 2.828 18824 2411 1 4 . 1 1 108 108 GLU CB C 108 29.234 29.234 31.798 -2.564 18824 2412 1 4 . 1 1 108 108 GLU H H 108 8.690 8.690 7.564 1.126 18824 2413 1 4 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.091 -0.049 18824 2414 1 4 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.015 -0.655 18824 2415 1 4 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.072 1.048 18824 2416 1 4 . 1 1 111 111 LEU N N 111 116.974 116.974 116.827 0.147 18824 2417 1 4 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.226 -0.143 18824 2418 1 4 . 1 1 111 111 LEU C C 111 177.598 177.598 179.261 -1.663 18824 2419 1 4 . 1 1 111 111 LEU CA C 111 55.628 55.628 57.033 -1.405 18824 2420 1 4 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.876 -0.899 18824 2421 1 4 . 1 1 111 111 LEU H H 111 7.791 7.791 7.709 0.082 18824 2422 1 4 . 1 1 112 112 ARG N N 112 119.231 119.231 121.491 -2.260 18824 2423 1 4 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.035 0.117 18824 2424 1 4 . 1 1 112 112 ARG C C 112 176.246 176.246 178.137 -1.891 18824 2425 1 4 . 1 1 112 112 ARG CA C 112 56.180 56.180 58.499 -2.319 18824 2426 1 4 . 1 1 112 112 ARG CB C 112 30.340 30.340 30.032 0.308 18824 2427 1 4 . 1 1 112 112 ARG H H 112 7.528 7.528 8.458 -0.930 18824 2428 1 4 . 1 1 113 113 ALA N N 113 123.896 123.896 120.165 3.731 18824 2429 1 4 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.389 -0.250 18824 2430 1 4 . 1 1 113 113 ALA C C 113 177.783 177.783 178.564 -0.781 18824 2431 1 4 . 1 1 113 113 ALA CA C 113 52.649 52.649 53.625 -0.976 18824 2432 1 4 . 1 1 113 113 ALA CB C 113 18.618 18.618 18.336 0.282 18824 2433 1 4 . 1 1 113 113 ALA H H 113 7.954 7.954 7.604 0.350 18824 2434 1 4 . 1 1 114 114 GLN N N 114 118.555 118.555 117.100 1.455 18824 2435 1 4 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.310 -0.151 18824 2436 1 4 . 1 1 114 114 GLN C C 114 175.815 175.815 175.704 0.111 18824 2437 1 4 . 1 1 114 114 GLN CA C 114 55.551 55.551 55.560 -0.009 18824 2438 1 4 . 1 1 114 114 GLN CB C 114 29.023 29.023 28.813 0.210 18824 2439 1 4 . 1 1 114 114 GLN H H 114 8.121 8.121 7.769 0.352 18824 2440 1 4 . 1 1 115 115 GLU N N 115 121.589 121.589 120.170 1.419 18824 2441 1 4 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.366 -0.236 18824 2442 1 4 . 1 1 115 115 GLU C C 115 175.637 175.637 175.458 0.179 18824 2443 1 4 . 1 1 115 115 GLU CA C 115 55.779 55.779 55.697 0.082 18824 2444 1 4 . 1 1 115 115 GLU CB C 115 30.038 30.038 27.843 2.195 18824 2445 1 4 . 1 1 115 115 GLU H H 115 8.164 8.164 7.898 0.266 18824 2446 1 4 . 1 1 116 116 ALA N N 116 126.435 126.435 124.422 2.013 18824 2447 1 4 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.478 -0.019 18824 2448 1 4 . 1 1 116 116 ALA CA C 116 50.094 50.094 51.043 -0.949 18824 2449 1 4 . 1 1 116 116 ALA CB C 116 17.622 17.622 19.095 -1.473 18824 2450 1 4 . 1 1 116 116 ALA H H 116 8.266 8.266 7.705 0.561 18824 2451 1 4 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.638 -0.334 18824 2452 1 4 . 1 1 117 117 PRO C C 117 177.580 177.580 177.223 0.357 18824 2453 1 4 . 1 1 117 117 PRO CA C 117 62.789 62.789 62.731 0.058 18824 2454 1 4 . 1 1 117 117 PRO CB C 117 31.812 31.812 32.706 -0.894 18824 2455 1 4 . 1 1 118 118 GLY N N 118 109.304 109.304 108.481 0.823 18824 2456 1 4 . 1 1 118 118 GLY C C 118 173.872 173.872 175.175 -1.303 18824 2457 1 4 . 1 1 118 118 GLY CA C 118 45.014 45.014 44.828 0.186 18824 2458 1 4 . 1 1 118 118 GLY H H 118 8.425 8.425 8.581 -0.156 18824 2459 1 4 . 1 1 119 119 GLN N N 119 120.070 120.070 119.053 1.017 18824 2460 1 4 . 1 1 119 119 GLN HA H 119 4.214 4.214 3.895 0.319 18824 2461 1 4 . 1 1 119 119 GLN C C 119 174.692 174.692 174.559 0.133 18824 2462 1 4 . 1 1 119 119 GLN CA C 119 55.442 55.442 57.652 -2.210 18824 2463 1 4 . 1 1 119 119 GLN CB C 119 29.308 29.308 28.044 1.264 18824 2464 1 4 . 1 1 119 119 GLN H H 119 8.081 8.081 8.737 -0.656 18824 2465 1 5 . 1 1 5 5 ILE N N 5 119.691 119.691 120.935 -1.244 18824 2466 1 5 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.419 -0.361 18824 2467 1 5 . 1 1 5 5 ILE C C 5 175.649 175.649 174.893 0.756 18824 2468 1 5 . 1 1 5 5 ILE CA C 5 60.596 60.596 60.493 0.103 18824 2469 1 5 . 1 1 5 5 ILE CB C 5 38.674 38.674 39.424 -0.750 18824 2470 1 5 . 1 1 5 5 ILE H H 5 8.370 8.370 7.991 0.379 18824 2471 1 5 . 1 1 6 6 ASP N N 6 126.564 126.564 127.790 -1.226 18824 2472 1 5 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.871 -0.181 18824 2473 1 5 . 1 1 6 6 ASP CA C 6 52.261 52.261 51.346 0.915 18824 2474 1 5 . 1 1 6 6 ASP CB C 6 40.555 40.555 43.211 -2.656 18824 2475 1 5 . 1 1 6 6 ASP H H 6 8.373 8.373 8.513 -0.140 18824 2476 1 5 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.213 -0.053 18824 2477 1 5 . 1 1 7 7 PRO C C 7 176.417 176.417 176.150 0.267 18824 2478 1 5 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.691 -0.640 18824 2479 1 5 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.166 -0.486 18824 2480 1 5 . 1 1 8 8 PHE N N 8 117.858 117.858 116.702 1.156 18824 2481 1 5 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.700 -0.156 18824 2482 1 5 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.797 -0.544 18824 2483 1 5 . 1 1 8 8 PHE CB C 8 38.444 38.444 42.941 -4.497 18824 2484 1 5 . 1 1 8 8 PHE H H 8 7.974 7.974 8.000 -0.026 18824 2485 1 5 . 1 1 9 9 THR N N 9 112.459 112.459 119.449 -6.990 18824 2486 1 5 . 1 1 9 9 THR HA H 9 4.338 4.338 4.683 -0.345 18824 2487 1 5 . 1 1 9 9 THR C C 9 175.888 175.888 174.300 1.588 18824 2488 1 5 . 1 1 9 9 THR CA C 9 60.827 60.827 60.966 -0.139 18824 2489 1 5 . 1 1 9 9 THR CB C 9 69.387 69.387 69.422 -0.035 18824 2490 1 5 . 1 1 9 9 THR H H 9 7.927 7.927 8.605 -0.678 18824 2491 1 5 . 1 1 10 10 MET N N 10 121.338 121.338 123.260 -1.922 18824 2492 1 5 . 1 1 10 10 MET HA H 10 4.310 4.310 4.138 0.172 18824 2493 1 5 . 1 1 10 10 MET C C 10 174.386 174.386 174.933 -0.547 18824 2494 1 5 . 1 1 10 10 MET CA C 10 52.415 52.415 55.584 -3.170 18824 2495 1 5 . 1 1 10 10 MET H H 10 7.648 7.648 8.743 -1.095 18824 2496 1 5 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.588 0.102 18824 2497 1 5 . 1 1 11 11 LEU CA C 11 52.606 52.606 53.168 -0.562 18824 2498 1 5 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.310 3.769 18824 2499 1 5 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.578 0.039 18824 2500 1 5 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.994 -0.729 18824 2501 1 5 . 1 1 12 12 PRO CB C 12 31.826 31.826 33.123 -1.297 18824 2502 1 5 . 1 1 13 13 ARG N N 13 118.005 118.005 116.471 1.534 18824 2503 1 5 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.631 -0.247 18824 2504 1 5 . 1 1 13 13 ARG C C 13 173.498 173.498 174.241 -0.743 18824 2505 1 5 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.187 0.488 18824 2506 1 5 . 1 1 13 13 ARG CB C 13 32.565 32.565 32.946 -0.381 18824 2507 1 5 . 1 1 13 13 ARG H H 13 8.484 8.484 7.865 0.619 18824 2508 1 5 . 1 1 14 14 LEU N N 14 124.897 124.897 122.833 2.064 18824 2509 1 5 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.430 0.438 18824 2510 1 5 . 1 1 14 14 LEU C C 14 176.144 176.144 176.192 -0.048 18824 2511 1 5 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.524 -1.477 18824 2512 1 5 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.371 0.586 18824 2513 1 5 . 1 1 14 14 LEU H H 14 8.520 8.520 8.431 0.089 18824 2514 1 5 . 1 1 15 15 CYS N N 15 127.167 127.167 127.749 -0.582 18824 2515 1 5 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.525 0.066 18824 2516 1 5 . 1 1 15 15 CYS C C 15 173.408 173.408 174.075 -0.667 18824 2517 1 5 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.902 -1.448 18824 2518 1 5 . 1 1 15 15 CYS CB C 15 29.325 29.325 27.099 2.226 18824 2519 1 5 . 1 1 15 15 CYS H H 15 9.247 9.247 8.933 0.314 18824 2520 1 5 . 1 1 16 16 CYS N N 16 125.133 125.133 126.631 -1.498 18824 2521 1 5 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.122 -0.386 18824 2522 1 5 . 1 1 16 16 CYS C C 16 172.784 172.784 174.205 -1.421 18824 2523 1 5 . 1 1 16 16 CYS CA C 16 58.040 58.040 59.117 -1.077 18824 2524 1 5 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.546 -0.304 18824 2525 1 5 . 1 1 16 16 CYS H H 16 9.049 9.049 8.906 0.143 18824 2526 1 5 . 1 1 17 17 LEU N N 17 124.624 124.624 122.387 2.237 18824 2527 1 5 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.942 -0.290 18824 2528 1 5 . 1 1 17 17 LEU C C 17 175.672 175.672 175.088 0.584 18824 2529 1 5 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.140 2.084 18824 2530 1 5 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.813 -0.771 18824 2531 1 5 . 1 1 17 17 LEU H H 17 8.750 8.750 8.350 0.400 18824 2532 1 5 . 1 1 18 18 GLU N N 18 121.610 121.610 119.631 1.979 18824 2533 1 5 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.582 0.178 18824 2534 1 5 . 1 1 18 18 GLU C C 18 175.548 175.548 176.052 -0.504 18824 2535 1 5 . 1 1 18 18 GLU CA C 18 54.861 54.861 55.089 -0.228 18824 2536 1 5 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.253 0.059 18824 2537 1 5 . 1 1 18 18 GLU H H 18 8.304 8.304 8.512 -0.208 18824 2538 1 5 . 1 1 19 19 LYS N N 19 123.922 123.922 125.046 -1.124 18824 2539 1 5 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.569 -0.459 18824 2540 1 5 . 1 1 19 19 LYS C C 19 176.635 176.635 176.258 0.377 18824 2541 1 5 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.214 2.274 18824 2542 1 5 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.541 -0.216 18824 2543 1 5 . 1 1 19 19 LYS H H 19 8.131 8.131 8.359 -0.228 18824 2544 1 5 . 1 1 20 20 GLY N N 20 112.282 112.282 114.724 -2.442 18824 2545 1 5 . 1 1 20 20 GLY CA C 20 44.045 44.045 44.084 -0.039 18824 2546 1 5 . 1 1 20 20 GLY H H 20 6.955 6.955 8.908 -1.953 18824 2547 1 5 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.387 -0.210 18824 2548 1 5 . 1 1 21 21 PRO C C 21 177.081 177.081 176.018 1.063 18824 2549 1 5 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.733 -0.411 18824 2550 1 5 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.636 -0.055 18824 2551 1 5 . 1 1 22 22 ASN N N 22 114.637 114.637 116.254 -1.617 18824 2552 1 5 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.716 0.203 18824 2553 1 5 . 1 1 22 22 ASN C C 22 175.102 175.102 175.634 -0.532 18824 2554 1 5 . 1 1 22 22 ASN CA C 22 51.618 51.618 51.711 -0.093 18824 2555 1 5 . 1 1 22 22 ASN CB C 22 38.930 38.930 37.572 1.358 18824 2556 1 5 . 1 1 22 22 ASN H H 22 8.462 8.462 7.646 0.816 18824 2557 1 5 . 1 1 23 23 GLY N N 23 107.193 107.193 108.730 -1.537 18824 2558 1 5 . 1 1 23 23 GLY C C 23 174.932 174.932 174.086 0.846 18824 2559 1 5 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.867 -1.441 18824 2560 1 5 . 1 1 23 23 GLY H H 23 7.499 7.499 7.590 -0.091 18824 2561 1 5 . 1 1 24 24 TYR N N 24 119.910 119.910 123.556 -3.646 18824 2562 1 5 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.987 -0.678 18824 2563 1 5 . 1 1 24 24 TYR C C 24 177.188 177.188 176.274 0.914 18824 2564 1 5 . 1 1 24 24 TYR CA C 24 60.745 60.745 58.061 2.684 18824 2565 1 5 . 1 1 24 24 TYR CB C 24 40.447 40.447 40.571 -0.124 18824 2566 1 5 . 1 1 24 24 TYR H H 24 8.894 8.894 8.434 0.460 18824 2567 1 5 . 1 1 25 25 GLY N N 25 104.016 104.016 105.227 -1.211 18824 2568 1 5 . 1 1 25 25 GLY C C 25 173.020 173.020 172.859 0.161 18824 2569 1 5 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.118 0.403 18824 2570 1 5 . 1 1 25 25 GLY H H 25 8.394 8.394 8.331 0.063 18824 2571 1 5 . 1 1 26 26 PHE N N 26 110.891 110.891 117.897 -7.006 18824 2572 1 5 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.833 -0.194 18824 2573 1 5 . 1 1 26 26 PHE C C 26 172.250 172.250 173.715 -1.465 18824 2574 1 5 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.100 0.006 18824 2575 1 5 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.733 -0.043 18824 2576 1 5 . 1 1 26 26 PHE H H 26 6.711 6.711 7.492 -0.781 18824 2577 1 5 . 1 1 27 27 HIS N N 27 118.261 118.261 120.627 -2.366 18824 2578 1 5 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.797 -0.013 18824 2579 1 5 . 1 1 27 27 HIS C C 27 174.659 174.659 173.741 0.918 18824 2580 1 5 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.191 -0.634 18824 2581 1 5 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.087 -0.242 18824 2582 1 5 . 1 1 27 27 HIS H H 27 7.964 7.964 9.357 -1.393 18824 2583 1 5 . 1 1 28 28 LEU N N 28 125.694 125.694 124.828 0.866 18824 2584 1 5 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.185 0.300 18824 2585 1 5 . 1 1 28 28 LEU C C 28 176.849 176.849 175.333 1.516 18824 2586 1 5 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.860 -0.197 18824 2587 1 5 . 1 1 28 28 LEU CB C 28 45.031 45.031 44.983 0.048 18824 2588 1 5 . 1 1 28 28 LEU H H 28 9.554 9.554 8.757 0.797 18824 2589 1 5 . 1 1 29 29 HIS N N 29 119.263 119.263 121.595 -2.332 18824 2590 1 5 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.184 -0.423 18824 2591 1 5 . 1 1 29 29 HIS C C 29 173.447 173.447 173.650 -0.203 18824 2592 1 5 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.492 2.299 18824 2593 1 5 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.665 -0.829 18824 2594 1 5 . 1 1 29 29 HIS H H 29 9.625 9.625 9.476 0.149 18824 2595 1 5 . 1 1 30 30 GLY N N 30 110.254 110.254 108.605 1.649 18824 2596 1 5 . 1 1 30 30 GLY C C 30 172.917 172.917 173.828 -0.911 18824 2597 1 5 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.246 -0.263 18824 2598 1 5 . 1 1 30 30 GLY H H 30 8.403 8.403 8.595 -0.192 18824 2599 1 5 . 1 1 31 31 GLU N N 31 119.753 119.753 123.671 -3.918 18824 2600 1 5 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.332 -0.049 18824 2601 1 5 . 1 1 31 31 GLU C C 31 175.939 175.939 176.921 -0.982 18824 2602 1 5 . 1 1 31 31 GLU CA C 31 54.431 54.431 56.051 -1.620 18824 2603 1 5 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.750 1.593 18824 2604 1 5 . 1 1 31 31 GLU H H 31 9.060 9.060 8.362 0.698 18824 2605 1 5 . 1 1 32 32 LYS N N 32 124.046 124.046 126.677 -2.631 18824 2606 1 5 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.080 -0.166 18824 2607 1 5 . 1 1 32 32 LYS C C 32 177.776 177.776 177.306 0.470 18824 2608 1 5 . 1 1 32 32 LYS CA C 32 57.714 57.714 57.710 0.004 18824 2609 1 5 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.007 -0.176 18824 2610 1 5 . 1 1 32 32 LYS H H 32 8.424 8.424 8.766 -0.342 18824 2611 1 5 . 1 1 33 33 GLY N N 33 113.177 113.177 113.806 -0.629 18824 2612 1 5 . 1 1 33 33 GLY C C 33 173.408 173.408 174.466 -1.058 18824 2613 1 5 . 1 1 33 33 GLY CA C 33 45.033 45.033 44.873 0.160 18824 2614 1 5 . 1 1 33 33 GLY H H 33 8.856 8.856 8.574 0.282 18824 2615 1 5 . 1 1 34 34 LYS N N 34 118.719 118.719 119.888 -1.169 18824 2616 1 5 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.501 0.139 18824 2617 1 5 . 1 1 34 34 LYS C C 34 176.528 176.528 176.764 -0.236 18824 2618 1 5 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.489 -0.932 18824 2619 1 5 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.515 1.348 18824 2620 1 5 . 1 1 34 34 LYS H H 34 7.790 7.790 7.692 0.098 18824 2621 1 5 . 1 1 35 35 LEU N N 35 124.084 124.084 116.294 7.790 18824 2622 1 5 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.752 -0.267 18824 2623 1 5 . 1 1 35 35 LEU C C 35 177.646 177.646 175.862 1.784 18824 2624 1 5 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.023 0.639 18824 2625 1 5 . 1 1 35 35 LEU CB C 35 42.676 42.676 41.637 1.039 18824 2626 1 5 . 1 1 35 35 LEU H H 35 8.759 8.759 8.607 0.152 18824 2627 1 5 . 1 1 36 36 GLY N N 36 110.962 110.962 106.391 4.571 18824 2628 1 5 . 1 1 36 36 GLY C C 36 173.070 173.070 172.590 0.480 18824 2629 1 5 . 1 1 36 36 GLY CA C 36 44.526 44.526 44.523 0.003 18824 2630 1 5 . 1 1 36 36 GLY H H 36 8.533 8.533 7.448 1.085 18824 2631 1 5 . 1 1 37 37 GLN N N 37 117.136 117.136 118.064 -0.928 18824 2632 1 5 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.893 -0.404 18824 2633 1 5 . 1 1 37 37 GLN C C 37 173.925 173.925 174.655 -0.730 18824 2634 1 5 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.844 -0.038 18824 2635 1 5 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.332 0.511 18824 2636 1 5 . 1 1 37 37 GLN H H 37 8.885 8.885 8.253 0.632 18824 2637 1 5 . 1 1 38 38 TYR N N 38 119.053 119.053 118.872 0.181 18824 2638 1 5 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.005 0.190 18824 2639 1 5 . 1 1 38 38 TYR C C 38 176.110 176.110 175.285 0.825 18824 2640 1 5 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.401 -1.171 18824 2641 1 5 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.725 -0.743 18824 2642 1 5 . 1 1 38 38 TYR H H 38 8.719 8.719 9.277 -0.558 18824 2643 1 5 . 1 1 39 39 ILE N N 39 120.624 120.624 121.942 -1.318 18824 2644 1 5 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.482 -0.232 18824 2645 1 5 . 1 1 39 39 ILE C C 39 175.797 175.797 176.997 -1.200 18824 2646 1 5 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.242 -2.011 18824 2647 1 5 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.388 -0.994 18824 2648 1 5 . 1 1 39 39 ILE H H 39 9.208 9.208 8.842 0.366 18824 2649 1 5 . 1 1 40 40 ARG N N 40 130.372 130.372 129.767 0.605 18824 2650 1 5 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.292 -0.205 18824 2651 1 5 . 1 1 40 40 ARG C C 40 174.846 174.846 175.781 -0.935 18824 2652 1 5 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.676 -0.066 18824 2653 1 5 . 1 1 40 40 ARG CB C 40 31.315 31.315 32.042 -0.727 18824 2654 1 5 . 1 1 40 40 ARG H H 40 9.240 9.240 9.295 -0.055 18824 2655 1 5 . 1 1 41 41 LEU N N 41 116.642 116.642 118.360 -1.718 18824 2656 1 5 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.601 -0.243 18824 2657 1 5 . 1 1 41 41 LEU C C 41 173.658 173.658 174.305 -0.647 18824 2658 1 5 . 1 1 41 41 LEU CA C 41 54.685 54.685 55.198 -0.513 18824 2659 1 5 . 1 1 41 41 LEU CB C 41 45.215 45.215 44.944 0.271 18824 2660 1 5 . 1 1 41 41 LEU H H 41 7.130 7.130 7.611 -0.481 18824 2661 1 5 . 1 1 42 42 VAL N N 42 125.934 125.934 123.567 2.367 18824 2662 1 5 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.871 -0.516 18824 2663 1 5 . 1 1 42 42 VAL C C 42 175.548 175.548 176.258 -0.710 18824 2664 1 5 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.333 0.920 18824 2665 1 5 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.059 0.165 18824 2666 1 5 . 1 1 42 42 VAL H H 42 8.731 8.731 8.438 0.293 18824 2667 1 5 . 1 1 43 43 GLU N N 43 128.285 128.285 129.524 -1.239 18824 2668 1 5 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.591 -0.270 18824 2669 1 5 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.324 0.336 18824 2670 1 5 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.718 -0.989 18824 2671 1 5 . 1 1 43 43 GLU H H 43 9.102 9.102 9.084 0.018 18824 2672 1 5 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.484 -0.044 18824 2673 1 5 . 1 1 44 44 PRO C C 44 178.222 178.222 177.849 0.373 18824 2674 1 5 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.348 -0.050 18824 2675 1 5 . 1 1 44 44 PRO CB C 44 31.388 31.388 31.322 0.066 18824 2676 1 5 . 1 1 45 45 GLY N N 45 113.166 113.166 114.548 -1.382 18824 2677 1 5 . 1 1 45 45 GLY C C 45 173.515 173.515 174.047 -0.532 18824 2678 1 5 . 1 1 45 45 GLY CA C 45 45.525 45.525 44.992 0.534 18824 2679 1 5 . 1 1 45 45 GLY H H 45 9.416 9.416 9.776 -0.360 18824 2680 1 5 . 1 1 46 46 SER N N 46 114.219 114.219 116.230 -2.011 18824 2681 1 5 . 1 1 46 46 SER HA H 46 4.670 4.670 5.025 -0.355 18824 2682 1 5 . 1 1 46 46 SER CA C 46 57.103 57.103 55.919 1.184 18824 2683 1 5 . 1 1 46 46 SER CB C 46 64.458 64.458 64.902 -0.444 18824 2684 1 5 . 1 1 46 46 SER H H 46 7.422 7.422 7.723 -0.301 18824 2685 1 5 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.351 -0.064 18824 2686 1 5 . 1 1 47 47 PRO C C 47 179.487 179.487 177.790 1.697 18824 2687 1 5 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.780 0.557 18824 2688 1 5 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.684 0.655 18824 2689 1 5 . 1 1 48 48 ALA N N 48 116.941 116.941 122.500 -5.559 18824 2690 1 5 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.954 -0.146 18824 2691 1 5 . 1 1 48 48 ALA C C 48 177.063 177.063 179.299 -2.236 18824 2692 1 5 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.413 -0.303 18824 2693 1 5 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.319 1.855 18824 2694 1 5 . 1 1 48 48 ALA H H 48 7.855 7.855 7.822 0.033 18824 2695 1 5 . 1 1 49 49 GLU N N 49 120.064 120.064 117.661 2.403 18824 2696 1 5 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.164 -0.310 18824 2697 1 5 . 1 1 49 49 GLU C C 49 181.038 181.038 178.902 2.136 18824 2698 1 5 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.843 0.338 18824 2699 1 5 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.629 0.041 18824 2700 1 5 . 1 1 49 49 GLU H H 49 7.732 7.732 7.867 -0.135 18824 2701 1 5 . 1 1 50 50 LYS N N 50 120.570 120.570 117.458 3.112 18824 2702 1 5 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.138 -0.214 18824 2703 1 5 . 1 1 50 50 LYS C C 50 177.580 177.580 177.559 0.021 18824 2704 1 5 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.128 0.652 18824 2705 1 5 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.273 -0.468 18824 2706 1 5 . 1 1 50 50 LYS H H 50 8.156 8.156 7.409 0.747 18824 2707 1 5 . 1 1 51 51 ALA N N 51 117.482 117.482 117.732 -0.250 18824 2708 1 5 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.282 0.026 18824 2709 1 5 . 1 1 51 51 ALA C C 51 177.509 177.509 176.944 0.565 18824 2710 1 5 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.422 -0.304 18824 2711 1 5 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.724 0.471 18824 2712 1 5 . 1 1 51 51 ALA H H 51 7.730 7.730 7.526 0.204 18824 2713 1 5 . 1 1 52 52 GLY N N 52 103.549 103.549 105.101 -1.552 18824 2714 1 5 . 1 1 52 52 GLY C C 52 174.888 174.888 173.997 0.891 18824 2715 1 5 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.887 0.136 18824 2716 1 5 . 1 1 52 52 GLY H H 52 7.513 7.513 7.505 0.008 18824 2717 1 5 . 1 1 53 53 LEU N N 53 120.806 120.806 122.460 -1.654 18824 2718 1 5 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.501 -0.645 18824 2719 1 5 . 1 1 53 53 LEU C C 53 174.692 174.692 174.833 -0.141 18824 2720 1 5 . 1 1 53 53 LEU CA C 53 55.190 55.190 54.754 0.436 18824 2721 1 5 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.345 0.649 18824 2722 1 5 . 1 1 53 53 LEU H H 53 7.420 7.420 8.047 -0.627 18824 2723 1 5 . 1 1 54 54 LEU N N 54 122.726 122.726 126.359 -3.633 18824 2724 1 5 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.741 -0.236 18824 2725 1 5 . 1 1 54 54 LEU C C 54 176.350 176.350 176.396 -0.046 18824 2726 1 5 . 1 1 54 54 LEU CA C 54 52.981 52.981 52.442 0.539 18824 2727 1 5 . 1 1 54 54 LEU CB C 54 45.564 45.564 45.008 0.556 18824 2728 1 5 . 1 1 54 54 LEU H H 54 8.546 8.546 8.667 -0.121 18824 2729 1 5 . 1 1 55 55 ALA N N 55 122.735 122.735 122.806 -0.071 18824 2730 1 5 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.240 -0.509 18824 2731 1 5 . 1 1 55 55 ALA C C 55 179.077 179.077 177.622 1.455 18824 2732 1 5 . 1 1 55 55 ALA CA C 55 53.000 53.000 52.658 0.342 18824 2733 1 5 . 1 1 55 55 ALA CB C 55 17.068 17.068 18.799 -1.731 18824 2734 1 5 . 1 1 55 55 ALA H H 55 8.551 8.551 8.503 0.048 18824 2735 1 5 . 1 1 56 56 GLY N N 56 112.553 112.553 114.184 -1.631 18824 2736 1 5 . 1 1 56 56 GLY C C 56 174.638 174.638 174.892 -0.254 18824 2737 1 5 . 1 1 56 56 GLY CA C 56 44.481 44.481 44.754 -0.273 18824 2738 1 5 . 1 1 56 56 GLY H H 56 9.450 9.450 8.647 0.803 18824 2739 1 5 . 1 1 57 57 ASP N N 57 121.912 121.912 123.079 -1.167 18824 2740 1 5 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.526 0.021 18824 2741 1 5 . 1 1 57 57 ASP C C 57 174.539 174.539 175.132 -0.593 18824 2742 1 5 . 1 1 57 57 ASP CA C 57 55.157 55.157 55.999 -0.842 18824 2743 1 5 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.532 -0.048 18824 2744 1 5 . 1 1 57 57 ASP H H 57 7.948 7.948 7.715 0.233 18824 2745 1 5 . 1 1 58 58 ARG N N 58 122.512 122.512 123.702 -1.190 18824 2746 1 5 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.438 -0.457 18824 2747 1 5 . 1 1 58 58 ARG C C 58 175.512 175.512 175.100 0.412 18824 2748 1 5 . 1 1 58 58 ARG CA C 58 55.169 55.169 56.057 -0.888 18824 2749 1 5 . 1 1 58 58 ARG CB C 58 32.435 32.435 31.320 1.115 18824 2750 1 5 . 1 1 58 58 ARG H H 58 8.570 8.570 8.860 -0.290 18824 2751 1 5 . 1 1 59 59 LEU N N 59 126.506 126.506 129.116 -2.610 18824 2752 1 5 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.267 -0.208 18824 2753 1 5 . 1 1 59 59 LEU C C 59 174.420 174.420 175.143 -0.723 18824 2754 1 5 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.123 0.056 18824 2755 1 5 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.038 0.437 18824 2756 1 5 . 1 1 59 59 LEU H H 59 7.917 7.917 7.924 -0.007 18824 2757 1 5 . 1 1 60 60 VAL N N 60 124.914 124.914 126.737 -1.823 18824 2758 1 5 . 1 1 60 60 VAL HA H 60 3.910 3.910 3.978 -0.068 18824 2759 1 5 . 1 1 60 60 VAL CA C 60 63.788 63.788 64.711 -0.923 18824 2760 1 5 . 1 1 60 60 VAL CB C 60 32.805 32.805 32.782 0.023 18824 2761 1 5 . 1 1 60 60 VAL H H 60 8.781 8.781 9.148 -0.367 18824 2762 1 5 . 1 1 61 61 GLU N N 61 112.868 112.868 118.326 -5.458 18824 2763 1 5 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.140 0.072 18824 2764 1 5 . 1 1 61 61 GLU C C 61 175.717 175.717 174.563 1.154 18824 2765 1 5 . 1 1 61 61 GLU CA C 61 54.186 54.186 54.740 -0.554 18824 2766 1 5 . 1 1 61 61 GLU CB C 61 34.458 34.458 33.975 0.483 18824 2767 1 5 . 1 1 61 61 GLU H H 61 7.332 7.332 7.837 -0.505 18824 2768 1 5 . 1 1 62 62 VAL N N 62 118.357 118.357 123.797 -5.440 18824 2769 1 5 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.609 -0.287 18824 2770 1 5 . 1 1 62 62 VAL C C 62 175.495 175.495 175.971 -0.476 18824 2771 1 5 . 1 1 62 62 VAL CA C 62 60.750 60.750 61.239 -0.489 18824 2772 1 5 . 1 1 62 62 VAL CB C 62 33.376 33.376 34.341 -0.965 18824 2773 1 5 . 1 1 62 62 VAL H H 62 8.342 8.342 8.611 -0.269 18824 2774 1 5 . 1 1 63 63 ASN N N 63 129.063 129.063 127.950 1.113 18824 2775 1 5 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.323 -0.144 18824 2776 1 5 . 1 1 63 63 ASN C C 63 175.051 175.051 174.851 0.200 18824 2777 1 5 . 1 1 63 63 ASN CA C 63 53.644 53.644 55.800 -2.155 18824 2778 1 5 . 1 1 63 63 ASN CB C 63 36.328 36.328 38.110 -1.782 18824 2779 1 5 . 1 1 63 63 ASN H H 63 9.830 9.830 9.519 0.311 18824 2780 1 5 . 1 1 64 64 GLY N N 64 103.346 103.346 106.074 -2.728 18824 2781 1 5 . 1 1 64 64 GLY C C 64 173.276 173.276 172.617 0.659 18824 2782 1 5 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.411 -0.368 18824 2783 1 5 . 1 1 64 64 GLY H H 64 9.222 9.222 8.270 0.952 18824 2784 1 5 . 1 1 65 65 GLU N N 65 119.230 119.230 120.086 -0.856 18824 2785 1 5 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.637 -0.148 18824 2786 1 5 . 1 1 65 65 GLU C C 65 174.745 174.745 175.030 -0.285 18824 2787 1 5 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.284 0.407 18824 2788 1 5 . 1 1 65 65 GLU CB C 65 30.802 30.802 33.123 -2.321 18824 2789 1 5 . 1 1 65 65 GLU H H 65 7.553 7.553 7.520 0.033 18824 2790 1 5 . 1 1 66 66 ASN N N 66 123.478 123.478 123.360 0.118 18824 2791 1 5 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.689 -0.001 18824 2792 1 5 . 1 1 66 66 ASN C C 66 176.144 176.144 175.424 0.720 18824 2793 1 5 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.511 0.712 18824 2794 1 5 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.437 1.152 18824 2795 1 5 . 1 1 66 66 ASN H H 66 8.865 8.865 8.779 0.086 18824 2796 1 5 . 1 1 67 67 VAL N N 67 117.695 117.695 117.808 -0.113 18824 2797 1 5 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.523 -0.020 18824 2798 1 5 . 1 1 67 67 VAL C C 67 177.475 177.475 177.086 0.389 18824 2799 1 5 . 1 1 67 67 VAL CA C 67 59.756 59.756 60.621 -0.865 18824 2800 1 5 . 1 1 67 67 VAL CB C 67 31.321 31.321 32.477 -1.156 18824 2801 1 5 . 1 1 67 67 VAL H H 67 8.210 8.210 8.783 -0.573 18824 2802 1 5 . 1 1 68 68 GLU N N 68 122.899 122.899 122.079 0.820 18824 2803 1 5 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.131 -0.210 18824 2804 1 5 . 1 1 68 68 GLU C C 68 177.348 177.348 176.706 0.642 18824 2805 1 5 . 1 1 68 68 GLU CA C 68 59.762 59.762 59.388 0.374 18824 2806 1 5 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.812 1.398 18824 2807 1 5 . 1 1 68 68 GLU H H 68 8.427 8.427 7.814 0.613 18824 2808 1 5 . 1 1 69 69 LYS N N 69 113.848 113.848 112.807 1.041 18824 2809 1 5 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.970 -0.556 18824 2810 1 5 . 1 1 69 69 LYS C C 69 176.510 176.510 175.869 0.641 18824 2811 1 5 . 1 1 69 69 LYS CA C 69 54.675 54.675 54.976 -0.301 18824 2812 1 5 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.393 -0.631 18824 2813 1 5 . 1 1 69 69 LYS H H 69 8.576 8.576 7.796 0.780 18824 2814 1 5 . 1 1 70 70 GLU N N 70 119.980 119.980 121.488 -1.508 18824 2815 1 5 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.658 -0.297 18824 2816 1 5 . 1 1 70 70 GLU C C 70 176.831 176.831 175.144 1.687 18824 2817 1 5 . 1 1 70 70 GLU CA C 70 56.329 56.329 54.625 1.704 18824 2818 1 5 . 1 1 70 70 GLU CB C 70 31.293 31.293 31.364 -0.072 18824 2819 1 5 . 1 1 70 70 GLU H H 70 6.994 6.994 7.700 -0.706 18824 2820 1 5 . 1 1 71 71 THR N N 71 110.696 110.696 107.810 2.886 18824 2821 1 5 . 1 1 71 71 THR HA H 71 4.270 4.270 4.959 -0.689 18824 2822 1 5 . 1 1 71 71 THR C C 71 174.812 174.812 175.565 -0.753 18824 2823 1 5 . 1 1 71 71 THR CA C 71 60.267 60.267 60.008 0.258 18824 2824 1 5 . 1 1 71 71 THR CB C 71 71.497 71.497 71.778 -0.281 18824 2825 1 5 . 1 1 71 71 THR H H 71 8.675 8.675 8.104 0.571 18824 2826 1 5 . 1 1 72 72 HIS N N 72 118.876 118.876 121.016 -2.140 18824 2827 1 5 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.137 -0.553 18824 2828 1 5 . 1 1 72 72 HIS C C 72 175.802 175.802 177.040 -1.238 18824 2829 1 5 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.113 -0.396 18824 2830 1 5 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.973 -1.689 18824 2831 1 5 . 1 1 72 72 HIS H H 72 9.171 9.171 8.929 0.242 18824 2832 1 5 . 1 1 73 73 GLN N N 73 115.563 115.563 118.213 -2.650 18824 2833 1 5 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.081 -0.312 18824 2834 1 5 . 1 1 73 73 GLN C C 73 179.060 179.060 178.363 0.697 18824 2835 1 5 . 1 1 73 73 GLN CA C 73 58.743 58.743 58.948 -0.205 18824 2836 1 5 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.301 -0.508 18824 2837 1 5 . 1 1 73 73 GLN H H 73 8.666 8.666 8.544 0.122 18824 2838 1 5 . 1 1 74 74 GLN N N 74 119.687 119.687 120.156 -0.469 18824 2839 1 5 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.072 -0.235 18824 2840 1 5 . 1 1 74 74 GLN C C 74 179.309 179.309 178.578 0.731 18824 2841 1 5 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.659 0.064 18824 2842 1 5 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.489 0.265 18824 2843 1 5 . 1 1 74 74 GLN H H 74 7.614 7.614 7.772 -0.158 18824 2844 1 5 . 1 1 75 75 VAL N N 75 120.633 120.633 115.457 5.176 18824 2845 1 5 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.718 -0.394 18824 2846 1 5 . 1 1 75 75 VAL C C 75 178.031 178.031 177.770 0.261 18824 2847 1 5 . 1 1 75 75 VAL CA C 75 67.423 67.423 65.539 1.884 18824 2848 1 5 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.538 -0.469 18824 2849 1 5 . 1 1 75 75 VAL H H 75 8.289 8.289 7.997 0.292 18824 2850 1 5 . 1 1 76 76 VAL N N 76 118.966 118.966 121.552 -2.586 18824 2851 1 5 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.550 -0.222 18824 2852 1 5 . 1 1 76 76 VAL C C 76 178.739 178.739 178.392 0.347 18824 2853 1 5 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.204 0.655 18824 2854 1 5 . 1 1 76 76 VAL CB C 76 30.847 30.847 30.489 0.358 18824 2855 1 5 . 1 1 76 76 VAL H H 76 8.364 8.364 8.118 0.246 18824 2856 1 5 . 1 1 77 77 SER N N 77 115.158 115.158 115.146 0.012 18824 2857 1 5 . 1 1 77 77 SER HA H 77 3.994 3.994 4.157 -0.163 18824 2858 1 5 . 1 1 77 77 SER C C 77 176.849 176.849 176.387 0.462 18824 2859 1 5 . 1 1 77 77 SER CA C 77 62.162 62.162 62.066 0.096 18824 2860 1 5 . 1 1 77 77 SER CB C 77 62.232 62.232 62.882 -0.650 18824 2861 1 5 . 1 1 77 77 SER H H 77 7.871 7.871 8.350 -0.479 18824 2862 1 5 . 1 1 78 78 ARG N N 78 121.310 121.310 120.973 0.337 18824 2863 1 5 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.095 -0.173 18824 2864 1 5 . 1 1 78 78 ARG C C 78 179.309 179.309 179.095 0.214 18824 2865 1 5 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.793 -0.044 18824 2866 1 5 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.110 0.169 18824 2867 1 5 . 1 1 78 78 ARG H H 78 7.469 7.469 7.385 0.084 18824 2868 1 5 . 1 1 79 79 ILE N N 79 119.383 119.383 121.228 -1.845 18824 2869 1 5 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.732 -0.329 18824 2870 1 5 . 1 1 79 79 ILE C C 79 178.364 178.364 178.277 0.087 18824 2871 1 5 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.612 -0.322 18824 2872 1 5 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.546 -0.322 18824 2873 1 5 . 1 1 79 79 ILE H H 79 7.759 7.759 8.081 -0.322 18824 2874 1 5 . 1 1 80 80 ARG N N 80 119.497 119.497 119.040 0.457 18824 2875 1 5 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.145 -0.167 18824 2876 1 5 . 1 1 80 80 ARG C C 80 177.544 177.544 177.069 0.475 18824 2877 1 5 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.472 1.258 18824 2878 1 5 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.319 0.509 18824 2879 1 5 . 1 1 80 80 ARG H H 80 8.407 8.407 7.862 0.545 18824 2880 1 5 . 1 1 81 81 ALA N N 81 118.814 118.814 119.603 -0.789 18824 2881 1 5 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.381 -0.320 18824 2882 1 5 . 1 1 81 81 ALA C C 81 177.473 177.473 177.408 0.065 18824 2883 1 5 . 1 1 81 81 ALA CA C 81 52.806 52.806 51.758 1.048 18824 2884 1 5 . 1 1 81 81 ALA CB C 81 18.604 18.604 19.163 -0.559 18824 2885 1 5 . 1 1 81 81 ALA H H 81 7.392 7.392 7.427 -0.035 18824 2886 1 5 . 1 1 82 82 ALA N N 82 121.771 121.771 121.852 -0.081 18824 2887 1 5 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.207 0.103 18824 2888 1 5 . 1 1 82 82 ALA C C 82 177.384 177.384 177.790 -0.406 18824 2889 1 5 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.457 -0.853 18824 2890 1 5 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.378 -1.787 18824 2891 1 5 . 1 1 82 82 ALA H H 82 7.182 7.182 7.250 -0.068 18824 2892 1 5 . 1 1 83 83 LEU N N 83 122.357 122.357 125.814 -3.457 18824 2893 1 5 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.016 -0.025 18824 2894 1 5 . 1 1 83 83 LEU C C 83 177.366 177.366 177.483 -0.117 18824 2895 1 5 . 1 1 83 83 LEU CA C 83 56.977 56.977 56.949 0.028 18824 2896 1 5 . 1 1 83 83 LEU CB C 83 40.986 40.986 41.901 -0.915 18824 2897 1 5 . 1 1 83 83 LEU H H 83 8.171 8.171 8.641 -0.470 18824 2898 1 5 . 1 1 84 84 ASN N N 84 114.897 114.897 112.038 2.859 18824 2899 1 5 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.777 -0.159 18824 2900 1 5 . 1 1 84 84 ASN C C 84 173.651 173.651 173.866 -0.215 18824 2901 1 5 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.065 1.129 18824 2902 1 5 . 1 1 84 84 ASN CB C 84 39.903 39.903 39.769 0.134 18824 2903 1 5 . 1 1 84 84 ASN H H 84 8.565 8.565 8.174 0.391 18824 2904 1 5 . 1 1 85 85 ALA N N 85 124.026 124.026 121.106 2.920 18824 2905 1 5 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.046 0.025 18824 2906 1 5 . 1 1 85 85 ALA C C 85 175.751 175.751 174.662 1.089 18824 2907 1 5 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.543 0.567 18824 2908 1 5 . 1 1 85 85 ALA CB C 85 21.156 21.156 22.095 -0.938 18824 2909 1 5 . 1 1 85 85 ALA H H 85 7.808 7.808 7.463 0.345 18824 2910 1 5 . 1 1 86 86 VAL N N 86 116.130 116.130 119.534 -3.404 18824 2911 1 5 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.485 0.107 18824 2912 1 5 . 1 1 86 86 VAL C C 86 171.876 171.876 174.238 -2.362 18824 2913 1 5 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.234 0.514 18824 2914 1 5 . 1 1 86 86 VAL CB C 86 34.893 34.893 35.853 -0.960 18824 2915 1 5 . 1 1 86 86 VAL H H 86 8.432 8.432 8.731 -0.299 18824 2916 1 5 . 1 1 87 87 ARG N N 87 124.913 124.913 126.704 -1.791 18824 2917 1 5 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.637 0.361 18824 2918 1 5 . 1 1 87 87 ARG C C 87 175.316 175.316 175.061 0.255 18824 2919 1 5 . 1 1 87 87 ARG CA C 87 53.991 53.991 55.229 -1.238 18824 2920 1 5 . 1 1 87 87 ARG CB C 87 31.805 31.805 30.832 0.973 18824 2921 1 5 . 1 1 87 87 ARG H H 87 8.255 8.255 8.640 -0.385 18824 2922 1 5 . 1 1 88 88 LEU N N 88 125.141 125.141 125.791 -0.650 18824 2923 1 5 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.901 0.049 18824 2924 1 5 . 1 1 88 88 LEU C C 88 173.836 173.836 175.164 -1.328 18824 2925 1 5 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.351 -0.970 18824 2926 1 5 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.089 -0.137 18824 2927 1 5 . 1 1 88 88 LEU H H 88 9.041 9.041 9.035 0.006 18824 2928 1 5 . 1 1 89 89 LEU N N 89 126.927 126.927 128.349 -1.422 18824 2929 1 5 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.961 0.216 18824 2930 1 5 . 1 1 89 89 LEU C C 89 175.726 175.726 174.994 0.732 18824 2931 1 5 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.795 -0.086 18824 2932 1 5 . 1 1 89 89 LEU CB C 89 43.514 43.514 43.495 0.019 18824 2933 1 5 . 1 1 89 89 LEU H H 89 8.484 8.484 8.353 0.131 18824 2934 1 5 . 1 1 90 90 VAL N N 90 119.770 119.770 121.601 -1.831 18824 2935 1 5 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.430 0.008 18824 2936 1 5 . 1 1 90 90 VAL C C 90 174.157 174.157 173.521 0.636 18824 2937 1 5 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.782 -0.811 18824 2938 1 5 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.844 1.012 18824 2939 1 5 . 1 1 90 90 VAL H H 90 9.001 9.001 7.924 1.077 18824 2940 1 5 . 1 1 91 91 VAL N N 91 112.698 112.698 119.524 -6.826 18824 2941 1 5 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.426 0.283 18824 2942 1 5 . 1 1 91 91 VAL C C 91 173.993 173.993 173.470 0.523 18824 2943 1 5 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.899 -0.916 18824 2944 1 5 . 1 1 91 91 VAL CB C 91 35.466 35.466 36.210 -0.744 18824 2945 1 5 . 1 1 91 91 VAL H H 91 8.011 8.011 8.419 -0.408 18824 2946 1 5 . 1 1 92 92 ASP N N 92 127.066 127.066 127.628 -0.562 18824 2947 1 5 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.792 0.214 18824 2948 1 5 . 1 1 92 92 ASP CA C 92 53.078 53.078 53.267 -0.189 18824 2949 1 5 . 1 1 92 92 ASP CB C 92 39.764 39.764 41.993 -2.229 18824 2950 1 5 . 1 1 92 92 ASP H H 92 7.878 7.878 8.933 -1.055 18824 2951 1 5 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.335 0.068 18824 2952 1 5 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.240 0.624 18824 2953 1 5 . 1 1 93 93 PRO CB C 93 32.221 32.221 32.105 0.116 18824 2954 1 5 . 1 1 94 94 GLU N N 94 119.504 119.504 118.739 0.765 18824 2955 1 5 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.120 -0.070 18824 2956 1 5 . 1 1 94 94 GLU C C 94 179.182 179.182 178.603 0.579 18824 2957 1 5 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.515 -0.297 18824 2958 1 5 . 1 1 94 94 GLU CB C 94 28.950 28.950 29.010 -0.060 18824 2959 1 5 . 1 1 94 94 GLU H H 94 8.156 8.156 8.059 0.097 18824 2960 1 5 . 1 1 95 95 THR N N 95 120.651 120.651 115.879 4.772 18824 2961 1 5 . 1 1 95 95 THR HA H 95 3.751 3.751 4.057 -0.306 18824 2962 1 5 . 1 1 95 95 THR C C 95 175.888 175.888 175.916 -0.028 18824 2963 1 5 . 1 1 95 95 THR CA C 95 65.764 65.764 67.253 -1.489 18824 2964 1 5 . 1 1 95 95 THR CB C 95 67.338 67.338 68.594 -1.256 18824 2965 1 5 . 1 1 95 95 THR H H 95 8.315 8.315 8.816 -0.501 18824 2966 1 5 . 1 1 96 96 ASP N N 96 120.554 120.554 121.738 -1.184 18824 2967 1 5 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.281 -0.048 18824 2968 1 5 . 1 1 96 96 ASP C C 96 178.275 178.275 178.043 0.232 18824 2969 1 5 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.738 -1.517 18824 2970 1 5 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.859 0.179 18824 2971 1 5 . 1 1 96 96 ASP H H 96 8.381 8.381 8.597 -0.216 18824 2972 1 5 . 1 1 97 97 GLU N N 97 117.457 117.457 119.779 -2.322 18824 2973 1 5 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.985 -0.120 18824 2974 1 5 . 1 1 97 97 GLU C C 97 178.790 178.790 178.807 -0.017 18824 2975 1 5 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.270 -0.061 18824 2976 1 5 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.348 -0.302 18824 2977 1 5 . 1 1 97 97 GLU H H 97 7.727 7.727 7.754 -0.027 18824 2978 1 5 . 1 1 98 98 GLN N N 98 118.704 118.704 118.046 0.658 18824 2979 1 5 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.107 -0.133 18824 2980 1 5 . 1 1 98 98 GLN C C 98 178.756 178.756 178.295 0.461 18824 2981 1 5 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.042 0.198 18824 2982 1 5 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.435 -0.503 18824 2983 1 5 . 1 1 98 98 GLN H H 98 7.733 7.733 7.680 0.053 18824 2984 1 5 . 1 1 99 99 LEU N N 99 119.242 119.242 121.151 -1.909 18824 2985 1 5 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.997 -0.083 18824 2986 1 5 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.550 0.169 18824 2987 1 5 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.968 -2.085 18824 2988 1 5 . 1 1 99 99 LEU H H 99 8.494 8.494 7.893 0.601 18824 2989 1 5 . 1 1 100 100 GLN N N 100 118.689 118.689 116.074 2.615 18824 2990 1 5 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.078 -0.114 18824 2991 1 5 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.543 0.091 18824 2992 1 5 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.850 -1.132 18824 2993 1 5 . 1 1 100 100 GLN H H 100 8.202 8.202 8.116 0.086 18824 2994 1 5 . 1 1 101 101 LYS N N 101 120.369 120.369 120.406 -0.037 18824 2995 1 5 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.116 -0.182 18824 2996 1 5 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.493 0.249 18824 2997 1 5 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.038 -0.177 18824 2998 1 5 . 1 1 101 101 LYS H H 101 7.783 7.783 7.853 -0.070 18824 2999 1 5 . 1 1 102 102 LEU N N 102 117.862 117.862 118.151 -0.289 18824 3000 1 5 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.151 0.006 18824 3001 1 5 . 1 1 102 102 LEU C C 102 177.526 177.526 177.326 0.200 18824 3002 1 5 . 1 1 102 102 LEU CA C 102 55.174 55.174 55.423 -0.249 18824 3003 1 5 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.085 0.881 18824 3004 1 5 . 1 1 102 102 LEU H H 102 7.512 7.512 7.540 -0.028 18824 3005 1 5 . 1 1 103 103 GLY N N 103 108.863 108.863 107.590 1.273 18824 3006 1 5 . 1 1 103 103 GLY C C 103 174.353 174.353 173.872 0.481 18824 3007 1 5 . 1 1 103 103 GLY CA C 103 45.565 45.565 44.617 0.948 18824 3008 1 5 . 1 1 103 103 GLY H H 103 7.851 7.851 7.607 0.244 18824 3009 1 5 . 1 1 104 104 VAL N N 104 120.506 120.506 119.287 1.219 18824 3010 1 5 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.440 -0.588 18824 3011 1 5 . 1 1 104 104 VAL CA C 104 61.751 61.751 60.806 0.945 18824 3012 1 5 . 1 1 104 104 VAL CB C 104 32.824 32.824 34.526 -1.702 18824 3013 1 5 . 1 1 104 104 VAL H H 104 7.726 7.726 7.455 0.271 18824 3014 1 5 . 1 1 105 105 GLN N N 105 124.776 124.776 126.582 -1.806 18824 3015 1 5 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.357 -0.250 18824 3016 1 5 . 1 1 105 105 GLN CA C 105 55.170 55.170 55.593 -0.423 18824 3017 1 5 . 1 1 105 105 GLN CB C 105 28.783 28.783 27.779 1.004 18824 3018 1 5 . 1 1 105 105 GLN H H 105 8.245 8.245 8.834 -0.589 18824 3019 1 5 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.621 -0.160 18824 3020 1 5 . 1 1 106 106 VAL C C 106 179.182 179.182 176.829 2.353 18824 3021 1 5 . 1 1 106 106 VAL CA C 106 64.553 64.553 65.629 -1.076 18824 3022 1 5 . 1 1 106 106 VAL CB C 106 30.309 30.309 32.015 -1.706 18824 3023 1 5 . 1 1 106 106 VAL H H 106 8.504 8.504 7.822 0.682 18824 3024 1 5 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.027 0.213 18824 3025 1 5 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.273 -0.654 18824 3026 1 5 . 1 1 108 108 GLU CA C 108 59.746 59.746 57.000 2.746 18824 3027 1 5 . 1 1 108 108 GLU CB C 108 29.234 29.234 31.135 -1.901 18824 3028 1 5 . 1 1 108 108 GLU H H 108 8.690 8.690 7.591 1.099 18824 3029 1 5 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.105 -0.063 18824 3030 1 5 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.529 -1.169 18824 3031 1 5 . 1 1 110 110 LEU CB C 110 42.120 42.120 42.026 0.094 18824 3032 1 5 . 1 1 111 111 LEU N N 111 116.974 116.974 119.062 -2.088 18824 3033 1 5 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.058 0.025 18824 3034 1 5 . 1 1 111 111 LEU C C 111 177.598 177.598 179.167 -1.569 18824 3035 1 5 . 1 1 111 111 LEU CA C 111 55.628 55.628 57.432 -1.804 18824 3036 1 5 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.280 -0.303 18824 3037 1 5 . 1 1 111 111 LEU H H 111 7.791 7.791 7.733 0.058 18824 3038 1 5 . 1 1 112 112 ARG N N 112 119.231 119.231 120.455 -1.224 18824 3039 1 5 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.205 -0.053 18824 3040 1 5 . 1 1 112 112 ARG C C 112 176.246 176.246 177.733 -1.487 18824 3041 1 5 . 1 1 112 112 ARG CA C 112 56.180 56.180 58.873 -2.693 18824 3042 1 5 . 1 1 112 112 ARG CB C 112 30.340 30.340 29.774 0.566 18824 3043 1 5 . 1 1 112 112 ARG H H 112 7.528 7.528 7.793 -0.265 18824 3044 1 5 . 1 1 113 113 ALA N N 113 123.896 123.896 120.737 3.159 18824 3045 1 5 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.300 -0.161 18824 3046 1 5 . 1 1 113 113 ALA C C 113 177.783 177.783 177.548 0.235 18824 3047 1 5 . 1 1 113 113 ALA CA C 113 52.649 52.649 53.175 -0.526 18824 3048 1 5 . 1 1 113 113 ALA CB C 113 18.618 18.618 19.013 -0.395 18824 3049 1 5 . 1 1 113 113 ALA H H 113 7.954 7.954 7.420 0.534 18824 3050 1 5 . 1 1 114 114 GLN N N 114 118.555 118.555 116.394 2.161 18824 3051 1 5 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.415 -0.256 18824 3052 1 5 . 1 1 114 114 GLN C C 114 175.815 175.815 174.829 0.986 18824 3053 1 5 . 1 1 114 114 GLN CA C 114 55.551 55.551 54.955 0.596 18824 3054 1 5 . 1 1 114 114 GLN CB C 114 29.023 29.023 28.770 0.253 18824 3055 1 5 . 1 1 114 114 GLN H H 114 8.121 8.121 7.718 0.403 18824 3056 1 5 . 1 1 115 115 GLU N N 115 121.589 121.589 119.259 2.330 18824 3057 1 5 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.530 -0.400 18824 3058 1 5 . 1 1 115 115 GLU C C 115 175.637 175.637 174.763 0.874 18824 3059 1 5 . 1 1 115 115 GLU CA C 115 55.779 55.779 55.936 -0.157 18824 3060 1 5 . 1 1 115 115 GLU CB C 115 30.038 30.038 31.375 -1.337 18824 3061 1 5 . 1 1 115 115 GLU H H 115 8.164 8.164 7.454 0.710 18824 3062 1 5 . 1 1 116 116 ALA N N 116 126.435 126.435 126.912 -0.477 18824 3063 1 5 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.774 -0.315 18824 3064 1 5 . 1 1 116 116 ALA CA C 116 50.094 50.094 50.106 -0.012 18824 3065 1 5 . 1 1 116 116 ALA CB C 116 17.622 17.622 18.753 -1.131 18824 3066 1 5 . 1 1 116 116 ALA H H 116 8.266 8.266 8.236 0.030 18824 3067 1 5 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.738 -0.434 18824 3068 1 5 . 1 1 117 117 PRO C C 117 177.580 177.580 176.385 1.195 18824 3069 1 5 . 1 1 117 117 PRO CA C 117 62.789 62.789 62.858 -0.069 18824 3070 1 5 . 1 1 117 117 PRO CB C 117 31.812 31.812 32.852 -1.040 18824 3071 1 5 . 1 1 118 118 GLY N N 118 109.304 109.304 108.712 0.592 18824 3072 1 5 . 1 1 118 118 GLY C C 118 173.872 173.872 173.405 0.467 18824 3073 1 5 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.667 -0.653 18824 3074 1 5 . 1 1 118 118 GLY H H 118 8.425 8.425 8.674 -0.249 18824 3075 1 5 . 1 1 119 119 GLN N N 119 120.070 120.070 120.298 -0.228 18824 3076 1 5 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.602 -0.388 18824 3077 1 5 . 1 1 119 119 GLN C C 119 174.692 174.692 174.944 -0.252 18824 3078 1 5 . 1 1 119 119 GLN CA C 119 55.442 55.442 55.915 -0.473 18824 3079 1 5 . 1 1 119 119 GLN CB C 119 29.308 29.308 29.449 -0.141 18824 3080 1 5 . 1 1 119 119 GLN H H 119 8.081 8.081 8.198 -0.117 18824 3081 1 6 . 1 1 5 5 ILE N N 5 119.691 119.691 120.576 -0.885 18824 3082 1 6 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.330 -0.272 18824 3083 1 6 . 1 1 5 5 ILE C C 5 175.649 175.649 175.286 0.363 18824 3084 1 6 . 1 1 5 5 ILE CA C 5 60.596 60.596 60.413 0.183 18824 3085 1 6 . 1 1 5 5 ILE CB C 5 38.674 38.674 39.212 -0.538 18824 3086 1 6 . 1 1 5 5 ILE H H 5 8.370 8.370 8.202 0.168 18824 3087 1 6 . 1 1 6 6 ASP N N 6 126.564 126.564 127.680 -1.116 18824 3088 1 6 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.765 -0.075 18824 3089 1 6 . 1 1 6 6 ASP CA C 6 52.261 52.261 52.007 0.254 18824 3090 1 6 . 1 1 6 6 ASP CB C 6 40.555 40.555 42.556 -2.001 18824 3091 1 6 . 1 1 6 6 ASP H H 6 8.373 8.373 8.377 -0.004 18824 3092 1 6 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.065 0.095 18824 3093 1 6 . 1 1 7 7 PRO C C 7 176.417 176.417 175.979 0.438 18824 3094 1 6 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.799 -0.748 18824 3095 1 6 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.236 -0.556 18824 3096 1 6 . 1 1 8 8 PHE N N 8 117.858 117.858 115.915 1.943 18824 3097 1 6 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.702 -0.158 18824 3098 1 6 . 1 1 8 8 PHE CA C 8 57.253 57.253 58.081 -0.828 18824 3099 1 6 . 1 1 8 8 PHE CB C 8 38.444 38.444 41.418 -2.974 18824 3100 1 6 . 1 1 8 8 PHE H H 8 7.974 7.974 7.660 0.314 18824 3101 1 6 . 1 1 9 9 THR N N 9 112.459 112.459 120.476 -8.017 18824 3102 1 6 . 1 1 9 9 THR HA H 9 4.338 4.338 4.544 -0.206 18824 3103 1 6 . 1 1 9 9 THR C C 9 175.888 175.888 174.037 1.851 18824 3104 1 6 . 1 1 9 9 THR CA C 9 60.827 60.827 61.554 -0.727 18824 3105 1 6 . 1 1 9 9 THR CB C 9 69.387 69.387 69.823 -0.436 18824 3106 1 6 . 1 1 9 9 THR H H 9 7.927 7.927 8.141 -0.214 18824 3107 1 6 . 1 1 10 10 MET N N 10 121.338 121.338 120.429 0.909 18824 3108 1 6 . 1 1 10 10 MET HA H 10 4.310 4.310 4.148 0.162 18824 3109 1 6 . 1 1 10 10 MET C C 10 174.386 174.386 174.926 -0.540 18824 3110 1 6 . 1 1 10 10 MET CA C 10 52.415 52.415 56.072 -3.657 18824 3111 1 6 . 1 1 10 10 MET H H 10 7.648 7.648 8.438 -0.790 18824 3112 1 6 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.549 0.141 18824 3113 1 6 . 1 1 11 11 LEU CA C 11 52.606 52.606 53.810 -1.204 18824 3114 1 6 . 1 1 11 11 LEU CB C 11 44.079 44.079 41.050 3.029 18824 3115 1 6 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.472 0.145 18824 3116 1 6 . 1 1 12 12 PRO CA C 12 62.265 62.265 63.044 -0.779 18824 3117 1 6 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.609 -0.783 18824 3118 1 6 . 1 1 13 13 ARG N N 13 118.005 118.005 118.531 -0.526 18824 3119 1 6 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.642 -0.258 18824 3120 1 6 . 1 1 13 13 ARG C C 13 173.498 173.498 174.809 -1.311 18824 3121 1 6 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.395 0.280 18824 3122 1 6 . 1 1 13 13 ARG CB C 13 32.565 32.565 34.435 -1.870 18824 3123 1 6 . 1 1 13 13 ARG H H 13 8.484 8.484 8.158 0.326 18824 3124 1 6 . 1 1 14 14 LEU N N 14 124.897 124.897 121.989 2.908 18824 3125 1 6 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.316 0.552 18824 3126 1 6 . 1 1 14 14 LEU C C 14 176.144 176.144 177.059 -0.915 18824 3127 1 6 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.686 -1.639 18824 3128 1 6 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.619 0.338 18824 3129 1 6 . 1 1 14 14 LEU H H 14 8.520 8.520 8.390 0.130 18824 3130 1 6 . 1 1 15 15 CYS N N 15 127.167 127.167 124.903 2.264 18824 3131 1 6 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.560 0.031 18824 3132 1 6 . 1 1 15 15 CYS C C 15 173.408 173.408 174.131 -0.723 18824 3133 1 6 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.694 -1.240 18824 3134 1 6 . 1 1 15 15 CYS CB C 15 29.325 29.325 27.004 2.321 18824 3135 1 6 . 1 1 15 15 CYS H H 15 9.247 9.247 9.079 0.169 18824 3136 1 6 . 1 1 16 16 CYS N N 16 125.133 125.133 125.696 -0.563 18824 3137 1 6 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.185 -0.449 18824 3138 1 6 . 1 1 16 16 CYS C C 16 172.784 172.784 174.415 -1.631 18824 3139 1 6 . 1 1 16 16 CYS CA C 16 58.040 58.040 56.682 1.358 18824 3140 1 6 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.238 0.004 18824 3141 1 6 . 1 1 16 16 CYS H H 16 9.049 9.049 8.781 0.268 18824 3142 1 6 . 1 1 17 17 LEU N N 17 124.624 124.624 122.597 2.027 18824 3143 1 6 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.984 -0.332 18824 3144 1 6 . 1 1 17 17 LEU C C 17 175.672 175.672 175.367 0.305 18824 3145 1 6 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.473 1.751 18824 3146 1 6 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.745 -0.703 18824 3147 1 6 . 1 1 17 17 LEU H H 17 8.750 8.750 8.187 0.563 18824 3148 1 6 . 1 1 18 18 GLU N N 18 121.610 121.610 120.574 1.036 18824 3149 1 6 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.735 0.025 18824 3150 1 6 . 1 1 18 18 GLU C C 18 175.548 175.548 175.875 -0.327 18824 3151 1 6 . 1 1 18 18 GLU CA C 18 54.861 54.861 54.946 -0.085 18824 3152 1 6 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.945 -0.633 18824 3153 1 6 . 1 1 18 18 GLU H H 18 8.304 8.304 8.504 -0.200 18824 3154 1 6 . 1 1 19 19 LYS N N 19 123.922 123.922 127.623 -3.701 18824 3155 1 6 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.509 -0.399 18824 3156 1 6 . 1 1 19 19 LYS C C 19 176.635 176.635 176.571 0.064 18824 3157 1 6 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.197 2.291 18824 3158 1 6 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.583 -0.258 18824 3159 1 6 . 1 1 19 19 LYS H H 19 8.131 8.131 8.577 -0.446 18824 3160 1 6 . 1 1 20 20 GLY N N 20 112.282 112.282 114.395 -2.113 18824 3161 1 6 . 1 1 20 20 GLY CA C 20 44.045 44.045 43.520 0.525 18824 3162 1 6 . 1 1 20 20 GLY H H 20 6.955 6.955 8.571 -1.616 18824 3163 1 6 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.240 -0.063 18824 3164 1 6 . 1 1 21 21 PRO C C 21 177.081 177.081 177.118 -0.037 18824 3165 1 6 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.602 -0.280 18824 3166 1 6 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.724 -0.142 18824 3167 1 6 . 1 1 22 22 ASN N N 22 114.637 114.637 113.850 0.787 18824 3168 1 6 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.673 0.246 18824 3169 1 6 . 1 1 22 22 ASN C C 22 175.102 175.102 175.094 0.008 18824 3170 1 6 . 1 1 22 22 ASN CA C 22 51.618 51.618 52.381 -0.763 18824 3171 1 6 . 1 1 22 22 ASN CB C 22 38.930 38.930 38.838 0.092 18824 3172 1 6 . 1 1 22 22 ASN H H 22 8.462 8.462 8.234 0.228 18824 3173 1 6 . 1 1 23 23 GLY N N 23 107.193 107.193 108.322 -1.129 18824 3174 1 6 . 1 1 23 23 GLY C C 23 174.932 174.932 173.423 1.509 18824 3175 1 6 . 1 1 23 23 GLY CA C 23 44.426 44.426 44.738 -0.312 18824 3176 1 6 . 1 1 23 23 GLY H H 23 7.499 7.499 7.648 -0.149 18824 3177 1 6 . 1 1 24 24 TYR N N 24 119.910 119.910 122.681 -2.771 18824 3178 1 6 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.809 -0.500 18824 3179 1 6 . 1 1 24 24 TYR C C 24 177.188 177.188 176.224 0.964 18824 3180 1 6 . 1 1 24 24 TYR CA C 24 60.745 60.745 58.866 1.879 18824 3181 1 6 . 1 1 24 24 TYR CB C 24 40.447 40.447 40.185 0.262 18824 3182 1 6 . 1 1 24 24 TYR H H 24 8.894 8.894 8.675 0.219 18824 3183 1 6 . 1 1 25 25 GLY N N 25 104.016 104.016 105.180 -1.164 18824 3184 1 6 . 1 1 25 25 GLY C C 25 173.020 173.020 173.386 -0.366 18824 3185 1 6 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.079 0.442 18824 3186 1 6 . 1 1 25 25 GLY H H 25 8.394 8.394 8.411 -0.017 18824 3187 1 6 . 1 1 26 26 PHE N N 26 110.891 110.891 116.165 -5.274 18824 3188 1 6 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.801 -0.162 18824 3189 1 6 . 1 1 26 26 PHE C C 26 172.250 172.250 173.643 -1.393 18824 3190 1 6 . 1 1 26 26 PHE CA C 26 54.106 54.106 55.026 -0.920 18824 3191 1 6 . 1 1 26 26 PHE CB C 26 41.690 41.690 42.204 -0.514 18824 3192 1 6 . 1 1 26 26 PHE H H 26 6.711 6.711 7.479 -0.768 18824 3193 1 6 . 1 1 27 27 HIS N N 27 118.261 118.261 119.119 -0.858 18824 3194 1 6 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.939 -0.155 18824 3195 1 6 . 1 1 27 27 HIS C C 27 174.659 174.659 173.813 0.846 18824 3196 1 6 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.036 -0.479 18824 3197 1 6 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.645 -0.800 18824 3198 1 6 . 1 1 27 27 HIS H H 27 7.964 7.964 9.206 -1.242 18824 3199 1 6 . 1 1 28 28 LEU N N 28 125.694 125.694 122.897 2.797 18824 3200 1 6 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.611 -0.126 18824 3201 1 6 . 1 1 28 28 LEU C C 28 176.849 176.849 176.417 0.432 18824 3202 1 6 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.560 0.103 18824 3203 1 6 . 1 1 28 28 LEU CB C 28 45.031 45.031 46.130 -1.099 18824 3204 1 6 . 1 1 28 28 LEU H H 28 9.554 9.554 8.897 0.657 18824 3205 1 6 . 1 1 29 29 HIS N N 29 119.263 119.263 117.364 1.899 18824 3206 1 6 . 1 1 29 29 HIS HA H 29 4.761 4.761 4.988 -0.227 18824 3207 1 6 . 1 1 29 29 HIS C C 29 173.447 173.447 173.830 -0.383 18824 3208 1 6 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.927 1.864 18824 3209 1 6 . 1 1 29 29 HIS CB C 29 32.836 32.836 32.686 0.150 18824 3210 1 6 . 1 1 29 29 HIS H H 29 9.625 9.625 9.413 0.212 18824 3211 1 6 . 1 1 30 30 GLY N N 30 110.254 110.254 108.107 2.147 18824 3212 1 6 . 1 1 30 30 GLY C C 30 172.917 172.917 173.695 -0.778 18824 3213 1 6 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.177 -0.194 18824 3214 1 6 . 1 1 30 30 GLY H H 30 8.403 8.403 8.534 -0.131 18824 3215 1 6 . 1 1 31 31 GLU N N 31 119.753 119.753 122.935 -3.182 18824 3216 1 6 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.613 -0.330 18824 3217 1 6 . 1 1 31 31 GLU C C 31 175.939 175.939 175.515 0.424 18824 3218 1 6 . 1 1 31 31 GLU CA C 31 54.431 54.431 55.379 -0.948 18824 3219 1 6 . 1 1 31 31 GLU CB C 31 32.343 32.343 32.483 -0.140 18824 3220 1 6 . 1 1 31 31 GLU H H 31 9.060 9.060 8.595 0.465 18824 3221 1 6 . 1 1 32 32 LYS N N 32 124.046 124.046 122.385 1.661 18824 3222 1 6 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.307 -0.393 18824 3223 1 6 . 1 1 32 32 LYS C C 32 177.776 177.776 178.445 -0.669 18824 3224 1 6 . 1 1 32 32 LYS CA C 32 57.714 57.714 56.852 0.862 18824 3225 1 6 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.775 -0.944 18824 3226 1 6 . 1 1 32 32 LYS H H 32 8.424 8.424 8.451 -0.027 18824 3227 1 6 . 1 1 33 33 GLY N N 33 113.177 113.177 113.901 -0.724 18824 3228 1 6 . 1 1 33 33 GLY C C 33 173.408 173.408 174.512 -1.104 18824 3229 1 6 . 1 1 33 33 GLY CA C 33 45.033 45.033 45.694 -0.661 18824 3230 1 6 . 1 1 33 33 GLY H H 33 8.856 8.856 8.682 0.174 18824 3231 1 6 . 1 1 34 34 LYS N N 34 118.719 118.719 121.699 -2.980 18824 3232 1 6 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.383 0.257 18824 3233 1 6 . 1 1 34 34 LYS C C 34 176.528 176.528 176.273 0.255 18824 3234 1 6 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.709 -1.152 18824 3235 1 6 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.142 1.721 18824 3236 1 6 . 1 1 34 34 LYS H H 34 7.790 7.790 7.658 0.132 18824 3237 1 6 . 1 1 35 35 LEU N N 35 124.084 124.084 113.464 10.620 18824 3238 1 6 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.827 -0.342 18824 3239 1 6 . 1 1 35 35 LEU C C 35 177.646 177.646 175.525 2.121 18824 3240 1 6 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.130 0.532 18824 3241 1 6 . 1 1 35 35 LEU CB C 35 42.676 42.676 42.297 0.379 18824 3242 1 6 . 1 1 35 35 LEU H H 35 8.759 8.759 8.733 0.026 18824 3243 1 6 . 1 1 36 36 GLY N N 36 110.962 110.962 106.528 4.434 18824 3244 1 6 . 1 1 36 36 GLY C C 36 173.070 173.070 172.533 0.537 18824 3245 1 6 . 1 1 36 36 GLY CA C 36 44.526 44.526 44.164 0.362 18824 3246 1 6 . 1 1 36 36 GLY H H 36 8.533 8.533 7.499 1.034 18824 3247 1 6 . 1 1 37 37 GLN N N 37 117.136 117.136 117.835 -0.699 18824 3248 1 6 . 1 1 37 37 GLN HA H 37 4.489 4.489 5.015 -0.526 18824 3249 1 6 . 1 1 37 37 GLN C C 37 173.925 173.925 174.584 -0.659 18824 3250 1 6 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.632 0.174 18824 3251 1 6 . 1 1 37 37 GLN CB C 37 31.843 31.843 32.094 -0.251 18824 3252 1 6 . 1 1 37 37 GLN H H 37 8.885 8.885 8.173 0.712 18824 3253 1 6 . 1 1 38 38 TYR N N 38 119.053 119.053 117.992 1.061 18824 3254 1 6 . 1 1 38 38 TYR HA H 38 5.195 5.195 4.685 0.510 18824 3255 1 6 . 1 1 38 38 TYR C C 38 176.110 176.110 174.957 1.153 18824 3256 1 6 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.595 -1.365 18824 3257 1 6 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.264 -0.282 18824 3258 1 6 . 1 1 38 38 TYR H H 38 8.719 8.719 8.775 -0.056 18824 3259 1 6 . 1 1 39 39 ILE N N 39 120.624 120.624 122.211 -1.587 18824 3260 1 6 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.413 -0.163 18824 3261 1 6 . 1 1 39 39 ILE C C 39 175.797 175.797 176.928 -1.131 18824 3262 1 6 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.322 -2.091 18824 3263 1 6 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.427 -1.033 18824 3264 1 6 . 1 1 39 39 ILE H H 39 9.208 9.208 9.840 -0.632 18824 3265 1 6 . 1 1 40 40 ARG N N 40 130.372 130.372 129.461 0.911 18824 3266 1 6 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.103 -0.016 18824 3267 1 6 . 1 1 40 40 ARG C C 40 174.846 174.846 175.636 -0.790 18824 3268 1 6 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.736 -0.126 18824 3269 1 6 . 1 1 40 40 ARG CB C 40 31.315 31.315 32.461 -1.146 18824 3270 1 6 . 1 1 40 40 ARG H H 40 9.240 9.240 9.254 -0.014 18824 3271 1 6 . 1 1 41 41 LEU N N 41 116.642 116.642 118.435 -1.793 18824 3272 1 6 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.680 -0.322 18824 3273 1 6 . 1 1 41 41 LEU C C 41 173.658 173.658 174.380 -0.722 18824 3274 1 6 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.948 -0.263 18824 3275 1 6 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.852 -0.637 18824 3276 1 6 . 1 1 41 41 LEU H H 41 7.130 7.130 7.824 -0.694 18824 3277 1 6 . 1 1 42 42 VAL N N 42 125.934 125.934 124.326 1.608 18824 3278 1 6 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.814 -0.459 18824 3279 1 6 . 1 1 42 42 VAL C C 42 175.548 175.548 175.568 -0.020 18824 3280 1 6 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.726 0.527 18824 3281 1 6 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.841 -0.618 18824 3282 1 6 . 1 1 42 42 VAL H H 42 8.731 8.731 8.577 0.154 18824 3283 1 6 . 1 1 43 43 GLU N N 43 128.285 128.285 128.873 -0.588 18824 3284 1 6 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.606 -0.285 18824 3285 1 6 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.095 0.565 18824 3286 1 6 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.895 -1.167 18824 3287 1 6 . 1 1 43 43 GLU H H 43 9.102 9.102 9.115 -0.013 18824 3288 1 6 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.656 -0.216 18824 3289 1 6 . 1 1 44 44 PRO C C 44 178.222 178.222 177.022 1.200 18824 3290 1 6 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.748 -0.450 18824 3291 1 6 . 1 1 44 44 PRO CB C 44 31.388 31.388 31.169 0.219 18824 3292 1 6 . 1 1 45 45 GLY N N 45 113.166 113.166 114.850 -1.684 18824 3293 1 6 . 1 1 45 45 GLY C C 45 173.515 173.515 174.104 -0.589 18824 3294 1 6 . 1 1 45 45 GLY CA C 45 45.525 45.525 45.033 0.492 18824 3295 1 6 . 1 1 45 45 GLY H H 45 9.416 9.416 9.737 -0.321 18824 3296 1 6 . 1 1 46 46 SER N N 46 114.219 114.219 116.076 -1.857 18824 3297 1 6 . 1 1 46 46 SER HA H 46 4.670 4.670 5.004 -0.334 18824 3298 1 6 . 1 1 46 46 SER CA C 46 57.103 57.103 55.879 1.224 18824 3299 1 6 . 1 1 46 46 SER CB C 46 64.458 64.458 65.418 -0.960 18824 3300 1 6 . 1 1 46 46 SER H H 46 7.422 7.422 7.740 -0.318 18824 3301 1 6 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.397 -0.110 18824 3302 1 6 . 1 1 47 47 PRO C C 47 179.487 179.487 177.064 2.423 18824 3303 1 6 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.707 0.630 18824 3304 1 6 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.653 0.686 18824 3305 1 6 . 1 1 48 48 ALA N N 48 116.941 116.941 122.074 -5.133 18824 3306 1 6 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.958 -0.150 18824 3307 1 6 . 1 1 48 48 ALA C C 48 177.063 177.063 179.127 -2.064 18824 3308 1 6 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.120 -0.009 18824 3309 1 6 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.364 1.810 18824 3310 1 6 . 1 1 48 48 ALA H H 48 7.855 7.855 7.687 0.168 18824 3311 1 6 . 1 1 49 49 GLU N N 49 120.064 120.064 117.751 2.313 18824 3312 1 6 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.024 -0.170 18824 3313 1 6 . 1 1 49 49 GLU C C 49 181.038 181.038 178.696 2.342 18824 3314 1 6 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.887 0.294 18824 3315 1 6 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.619 0.052 18824 3316 1 6 . 1 1 49 49 GLU H H 49 7.732 7.732 7.803 -0.071 18824 3317 1 6 . 1 1 50 50 LYS N N 50 120.570 120.570 117.566 3.004 18824 3318 1 6 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.160 -0.236 18824 3319 1 6 . 1 1 50 50 LYS C C 50 177.580 177.580 177.155 0.425 18824 3320 1 6 . 1 1 50 50 LYS CA C 50 58.780 58.780 57.863 0.917 18824 3321 1 6 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.393 -0.589 18824 3322 1 6 . 1 1 50 50 LYS H H 50 8.156 8.156 7.524 0.632 18824 3323 1 6 . 1 1 51 51 ALA N N 51 117.482 117.482 118.048 -0.566 18824 3324 1 6 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.259 0.049 18824 3325 1 6 . 1 1 51 51 ALA C C 51 177.509 177.509 176.960 0.549 18824 3326 1 6 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.256 -0.138 18824 3327 1 6 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.593 0.602 18824 3328 1 6 . 1 1 51 51 ALA H H 51 7.730 7.730 7.196 0.534 18824 3329 1 6 . 1 1 52 52 GLY N N 52 103.549 103.549 105.184 -1.635 18824 3330 1 6 . 1 1 52 52 GLY C C 52 174.888 174.888 174.436 0.452 18824 3331 1 6 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.767 0.256 18824 3332 1 6 . 1 1 52 52 GLY H H 52 7.513 7.513 7.458 0.055 18824 3333 1 6 . 1 1 53 53 LEU N N 53 120.806 120.806 122.215 -1.409 18824 3334 1 6 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.387 -0.531 18824 3335 1 6 . 1 1 53 53 LEU C C 53 174.692 174.692 176.153 -1.461 18824 3336 1 6 . 1 1 53 53 LEU CA C 53 55.190 55.190 55.294 -0.104 18824 3337 1 6 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.605 0.389 18824 3338 1 6 . 1 1 53 53 LEU H H 53 7.420 7.420 7.711 -0.291 18824 3339 1 6 . 1 1 54 54 LEU N N 54 122.726 122.726 123.871 -1.145 18824 3340 1 6 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.579 -0.074 18824 3341 1 6 . 1 1 54 54 LEU C C 54 176.350 176.350 175.074 1.276 18824 3342 1 6 . 1 1 54 54 LEU CA C 54 52.981 52.981 53.699 -0.718 18824 3343 1 6 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.663 -1.099 18824 3344 1 6 . 1 1 54 54 LEU H H 54 8.546 8.546 8.052 0.494 18824 3345 1 6 . 1 1 55 55 ALA N N 55 122.735 122.735 125.658 -2.923 18824 3346 1 6 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.527 -0.796 18824 3347 1 6 . 1 1 55 55 ALA C C 55 179.077 179.077 177.720 1.357 18824 3348 1 6 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.060 -0.060 18824 3349 1 6 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.976 -0.908 18824 3350 1 6 . 1 1 55 55 ALA H H 55 8.551 8.551 8.624 -0.073 18824 3351 1 6 . 1 1 56 56 GLY N N 56 112.553 112.553 112.963 -0.410 18824 3352 1 6 . 1 1 56 56 GLY C C 56 174.638 174.638 174.086 0.552 18824 3353 1 6 . 1 1 56 56 GLY CA C 56 44.481 44.481 44.767 -0.286 18824 3354 1 6 . 1 1 56 56 GLY H H 56 9.450 9.450 8.703 0.747 18824 3355 1 6 . 1 1 57 57 ASP N N 57 121.912 121.912 121.256 0.656 18824 3356 1 6 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.567 -0.020 18824 3357 1 6 . 1 1 57 57 ASP C C 57 174.539 174.539 175.398 -0.859 18824 3358 1 6 . 1 1 57 57 ASP CA C 57 55.157 55.157 53.504 1.653 18824 3359 1 6 . 1 1 57 57 ASP CB C 57 41.484 41.484 42.015 -0.531 18824 3360 1 6 . 1 1 57 57 ASP H H 57 7.948 7.948 7.678 0.270 18824 3361 1 6 . 1 1 58 58 ARG N N 58 122.512 122.512 119.143 3.369 18824 3362 1 6 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.790 -0.809 18824 3363 1 6 . 1 1 58 58 ARG C C 58 175.512 175.512 174.345 1.167 18824 3364 1 6 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.242 -0.073 18824 3365 1 6 . 1 1 58 58 ARG CB C 58 32.435 32.435 32.696 -0.260 18824 3366 1 6 . 1 1 58 58 ARG H H 58 8.570 8.570 8.147 0.423 18824 3367 1 6 . 1 1 59 59 LEU N N 59 126.506 126.506 129.453 -2.947 18824 3368 1 6 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.542 -0.483 18824 3369 1 6 . 1 1 59 59 LEU C C 59 174.420 174.420 175.034 -0.614 18824 3370 1 6 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.031 0.148 18824 3371 1 6 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.146 0.329 18824 3372 1 6 . 1 1 59 59 LEU H H 59 7.917 7.917 8.235 -0.318 18824 3373 1 6 . 1 1 60 60 VAL N N 60 124.914 124.914 126.373 -1.459 18824 3374 1 6 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.185 -0.275 18824 3375 1 6 . 1 1 60 60 VAL CA C 60 63.788 63.788 62.532 1.256 18824 3376 1 6 . 1 1 60 60 VAL CB C 60 32.805 32.805 33.315 -0.509 18824 3377 1 6 . 1 1 60 60 VAL H H 60 8.781 8.781 8.626 0.155 18824 3378 1 6 . 1 1 61 61 GLU N N 61 112.868 112.868 117.768 -4.900 18824 3379 1 6 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.082 0.130 18824 3380 1 6 . 1 1 61 61 GLU C C 61 175.717 175.717 174.113 1.604 18824 3381 1 6 . 1 1 61 61 GLU CA C 61 54.186 54.186 55.248 -1.062 18824 3382 1 6 . 1 1 61 61 GLU CB C 61 34.458 34.458 33.810 0.648 18824 3383 1 6 . 1 1 61 61 GLU H H 61 7.332 7.332 7.724 -0.392 18824 3384 1 6 . 1 1 62 62 VAL N N 62 118.357 118.357 123.046 -4.689 18824 3385 1 6 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.686 -0.364 18824 3386 1 6 . 1 1 62 62 VAL C C 62 175.495 175.495 175.834 -0.339 18824 3387 1 6 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.549 0.201 18824 3388 1 6 . 1 1 62 62 VAL CB C 62 33.376 33.376 33.623 -0.248 18824 3389 1 6 . 1 1 62 62 VAL H H 62 8.342 8.342 8.909 -0.567 18824 3390 1 6 . 1 1 63 63 ASN N N 63 129.063 129.063 127.391 1.672 18824 3391 1 6 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.370 -0.191 18824 3392 1 6 . 1 1 63 63 ASN C C 63 175.051 175.051 175.245 -0.194 18824 3393 1 6 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.564 -0.920 18824 3394 1 6 . 1 1 63 63 ASN CB C 63 36.328 36.328 37.241 -0.913 18824 3395 1 6 . 1 1 63 63 ASN H H 63 9.830 9.830 9.598 0.232 18824 3396 1 6 . 1 1 64 64 GLY N N 64 103.346 103.346 101.703 1.643 18824 3397 1 6 . 1 1 64 64 GLY C C 64 173.276 173.276 172.711 0.565 18824 3398 1 6 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.020 0.023 18824 3399 1 6 . 1 1 64 64 GLY H H 64 9.222 9.222 8.600 0.622 18824 3400 1 6 . 1 1 65 65 GLU N N 65 119.230 119.230 120.094 -0.864 18824 3401 1 6 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.578 -0.089 18824 3402 1 6 . 1 1 65 65 GLU C C 65 174.745 174.745 175.062 -0.317 18824 3403 1 6 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.606 0.085 18824 3404 1 6 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.218 -1.416 18824 3405 1 6 . 1 1 65 65 GLU H H 65 7.553 7.553 7.578 -0.025 18824 3406 1 6 . 1 1 66 66 ASN N N 66 123.478 123.478 125.837 -2.359 18824 3407 1 6 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.752 -0.064 18824 3408 1 6 . 1 1 66 66 ASN C C 66 176.144 176.144 175.649 0.495 18824 3409 1 6 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.372 0.852 18824 3410 1 6 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.740 0.849 18824 3411 1 6 . 1 1 66 66 ASN H H 66 8.865 8.865 8.885 -0.020 18824 3412 1 6 . 1 1 67 67 VAL N N 67 117.695 117.695 119.780 -2.085 18824 3413 1 6 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.472 0.031 18824 3414 1 6 . 1 1 67 67 VAL C C 67 177.475 177.475 176.533 0.942 18824 3415 1 6 . 1 1 67 67 VAL CA C 67 59.756 59.756 61.261 -1.505 18824 3416 1 6 . 1 1 67 67 VAL CB C 67 31.321 31.321 31.807 -0.486 18824 3417 1 6 . 1 1 67 67 VAL H H 67 8.210 8.210 8.904 -0.694 18824 3418 1 6 . 1 1 68 68 GLU N N 68 122.899 122.899 122.494 0.405 18824 3419 1 6 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.268 -0.347 18824 3420 1 6 . 1 1 68 68 GLU C C 68 177.348 177.348 176.952 0.396 18824 3421 1 6 . 1 1 68 68 GLU CA C 68 59.762 59.762 59.343 0.419 18824 3422 1 6 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.941 1.269 18824 3423 1 6 . 1 1 68 68 GLU H H 68 8.427 8.427 7.925 0.502 18824 3424 1 6 . 1 1 69 69 LYS N N 69 113.848 113.848 113.937 -0.089 18824 3425 1 6 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.925 -0.511 18824 3426 1 6 . 1 1 69 69 LYS C C 69 176.510 176.510 175.937 0.573 18824 3427 1 6 . 1 1 69 69 LYS CA C 69 54.675 54.675 54.864 -0.188 18824 3428 1 6 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.146 -0.384 18824 3429 1 6 . 1 1 69 69 LYS H H 69 8.576 8.576 7.866 0.710 18824 3430 1 6 . 1 1 70 70 GLU N N 70 119.980 119.980 121.853 -1.873 18824 3431 1 6 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.562 -0.201 18824 3432 1 6 . 1 1 70 70 GLU C C 70 176.831 176.831 175.563 1.268 18824 3433 1 6 . 1 1 70 70 GLU CA C 70 56.329 56.329 54.917 1.412 18824 3434 1 6 . 1 1 70 70 GLU CB C 70 31.293 31.293 30.662 0.631 18824 3435 1 6 . 1 1 70 70 GLU H H 70 6.994 6.994 7.611 -0.617 18824 3436 1 6 . 1 1 71 71 THR N N 71 110.696 110.696 109.603 1.093 18824 3437 1 6 . 1 1 71 71 THR HA H 71 4.270 4.270 4.688 -0.418 18824 3438 1 6 . 1 1 71 71 THR C C 71 174.812 174.812 175.448 -0.636 18824 3439 1 6 . 1 1 71 71 THR CA C 71 60.267 60.267 60.135 0.132 18824 3440 1 6 . 1 1 71 71 THR CB C 71 71.497 71.497 71.677 -0.180 18824 3441 1 6 . 1 1 71 71 THR H H 71 8.675 8.675 8.152 0.523 18824 3442 1 6 . 1 1 72 72 HIS N N 72 118.876 118.876 121.696 -2.820 18824 3443 1 6 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.383 -0.799 18824 3444 1 6 . 1 1 72 72 HIS C C 72 175.802 175.802 177.074 -1.272 18824 3445 1 6 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.102 -0.385 18824 3446 1 6 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.915 -1.631 18824 3447 1 6 . 1 1 72 72 HIS H H 72 9.171 9.171 8.726 0.445 18824 3448 1 6 . 1 1 73 73 GLN N N 73 115.563 115.563 117.759 -2.196 18824 3449 1 6 . 1 1 73 73 GLN HA H 73 3.769 3.769 3.998 -0.229 18824 3450 1 6 . 1 1 73 73 GLN C C 73 179.060 179.060 178.384 0.676 18824 3451 1 6 . 1 1 73 73 GLN CA C 73 58.743 58.743 58.890 -0.147 18824 3452 1 6 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.284 -0.491 18824 3453 1 6 . 1 1 73 73 GLN H H 73 8.666 8.666 8.442 0.224 18824 3454 1 6 . 1 1 74 74 GLN N N 74 119.687 119.687 117.748 1.939 18824 3455 1 6 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.059 -0.222 18824 3456 1 6 . 1 1 74 74 GLN C C 74 179.309 179.309 178.656 0.653 18824 3457 1 6 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.544 0.179 18824 3458 1 6 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.641 0.113 18824 3459 1 6 . 1 1 74 74 GLN H H 74 7.614 7.614 8.010 -0.396 18824 3460 1 6 . 1 1 75 75 VAL N N 75 120.633 120.633 116.199 4.434 18824 3461 1 6 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.823 -0.499 18824 3462 1 6 . 1 1 75 75 VAL C C 75 178.031 178.031 177.699 0.332 18824 3463 1 6 . 1 1 75 75 VAL CA C 75 67.423 67.423 65.430 1.993 18824 3464 1 6 . 1 1 75 75 VAL CB C 75 31.069 31.069 30.682 0.387 18824 3465 1 6 . 1 1 75 75 VAL H H 75 8.289 8.289 7.465 0.824 18824 3466 1 6 . 1 1 76 76 VAL N N 76 118.966 118.966 121.918 -2.952 18824 3467 1 6 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.407 -0.079 18824 3468 1 6 . 1 1 76 76 VAL C C 76 178.739 178.739 178.262 0.477 18824 3469 1 6 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.736 0.123 18824 3470 1 6 . 1 1 76 76 VAL CB C 76 30.847 30.847 30.858 -0.011 18824 3471 1 6 . 1 1 76 76 VAL H H 76 8.364 8.364 7.722 0.642 18824 3472 1 6 . 1 1 77 77 SER N N 77 115.158 115.158 115.402 -0.244 18824 3473 1 6 . 1 1 77 77 SER HA H 77 3.994 3.994 4.136 -0.142 18824 3474 1 6 . 1 1 77 77 SER C C 77 176.849 176.849 176.806 0.043 18824 3475 1 6 . 1 1 77 77 SER CA C 77 62.162 62.162 62.340 -0.178 18824 3476 1 6 . 1 1 77 77 SER CB C 77 62.232 62.232 62.736 -0.504 18824 3477 1 6 . 1 1 77 77 SER H H 77 7.871 7.871 8.124 -0.253 18824 3478 1 6 . 1 1 78 78 ARG N N 78 121.310 121.310 121.164 0.146 18824 3479 1 6 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.103 -0.181 18824 3480 1 6 . 1 1 78 78 ARG C C 78 179.309 179.309 178.860 0.449 18824 3481 1 6 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.749 -0.000 18824 3482 1 6 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.079 0.200 18824 3483 1 6 . 1 1 78 78 ARG H H 78 7.469 7.469 7.337 0.132 18824 3484 1 6 . 1 1 79 79 ILE N N 79 119.383 119.383 120.509 -1.126 18824 3485 1 6 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.706 -0.303 18824 3486 1 6 . 1 1 79 79 ILE C C 79 178.364 178.364 178.798 -0.434 18824 3487 1 6 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.714 -0.424 18824 3488 1 6 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.663 -0.439 18824 3489 1 6 . 1 1 79 79 ILE H H 79 7.759 7.759 8.318 -0.559 18824 3490 1 6 . 1 1 80 80 ARG N N 80 119.497 119.497 118.612 0.885 18824 3491 1 6 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.163 -0.185 18824 3492 1 6 . 1 1 80 80 ARG C C 80 177.544 177.544 177.431 0.113 18824 3493 1 6 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.300 1.430 18824 3494 1 6 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.164 0.664 18824 3495 1 6 . 1 1 80 80 ARG H H 80 8.407 8.407 8.488 -0.081 18824 3496 1 6 . 1 1 81 81 ALA N N 81 118.814 118.814 119.728 -0.914 18824 3497 1 6 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.339 -0.278 18824 3498 1 6 . 1 1 81 81 ALA C C 81 177.473 177.473 177.221 0.252 18824 3499 1 6 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.362 0.444 18824 3500 1 6 . 1 1 81 81 ALA CB C 81 18.604 18.604 19.113 -0.509 18824 3501 1 6 . 1 1 81 81 ALA H H 81 7.392 7.392 7.434 -0.042 18824 3502 1 6 . 1 1 82 82 ALA N N 82 121.771 121.771 121.423 0.348 18824 3503 1 6 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.259 0.051 18824 3504 1 6 . 1 1 82 82 ALA C C 82 177.384 177.384 176.980 0.404 18824 3505 1 6 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.243 -0.639 18824 3506 1 6 . 1 1 82 82 ALA CB C 82 17.591 17.591 18.800 -1.209 18824 3507 1 6 . 1 1 82 82 ALA H H 82 7.182 7.182 7.258 -0.076 18824 3508 1 6 . 1 1 83 83 LEU N N 83 122.357 122.357 123.502 -1.145 18824 3509 1 6 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.111 -0.120 18824 3510 1 6 . 1 1 83 83 LEU C C 83 177.366 177.366 177.988 -0.622 18824 3511 1 6 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.423 -0.446 18824 3512 1 6 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.502 -1.516 18824 3513 1 6 . 1 1 83 83 LEU H H 83 8.171 8.171 8.590 -0.419 18824 3514 1 6 . 1 1 84 84 ASN N N 84 114.897 114.897 112.315 2.582 18824 3515 1 6 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.690 -0.072 18824 3516 1 6 . 1 1 84 84 ASN C C 84 173.651 173.651 173.908 -0.257 18824 3517 1 6 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.349 0.845 18824 3518 1 6 . 1 1 84 84 ASN CB C 84 39.903 39.903 38.894 1.009 18824 3519 1 6 . 1 1 84 84 ASN H H 84 8.565 8.565 8.400 0.165 18824 3520 1 6 . 1 1 85 85 ALA N N 85 124.026 124.026 120.750 3.276 18824 3521 1 6 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.062 0.009 18824 3522 1 6 . 1 1 85 85 ALA C C 85 175.751 175.751 174.823 0.928 18824 3523 1 6 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.665 0.445 18824 3524 1 6 . 1 1 85 85 ALA CB C 85 21.156 21.156 21.944 -0.788 18824 3525 1 6 . 1 1 85 85 ALA H H 85 7.808 7.808 7.439 0.369 18824 3526 1 6 . 1 1 86 86 VAL N N 86 116.130 116.130 119.703 -3.573 18824 3527 1 6 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.493 0.099 18824 3528 1 6 . 1 1 86 86 VAL C C 86 171.876 171.876 173.857 -1.981 18824 3529 1 6 . 1 1 86 86 VAL CA C 86 59.748 59.748 60.016 -0.268 18824 3530 1 6 . 1 1 86 86 VAL CB C 86 34.893 34.893 35.944 -1.051 18824 3531 1 6 . 1 1 86 86 VAL H H 86 8.432 8.432 8.873 -0.441 18824 3532 1 6 . 1 1 87 87 ARG N N 87 124.913 124.913 127.690 -2.777 18824 3533 1 6 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.793 0.205 18824 3534 1 6 . 1 1 87 87 ARG C C 87 175.316 175.316 174.835 0.481 18824 3535 1 6 . 1 1 87 87 ARG CA C 87 53.991 53.991 54.532 -0.541 18824 3536 1 6 . 1 1 87 87 ARG CB C 87 31.805 31.805 31.218 0.587 18824 3537 1 6 . 1 1 87 87 ARG H H 87 8.255 8.255 9.313 -1.058 18824 3538 1 6 . 1 1 88 88 LEU N N 88 125.141 125.141 125.213 -0.072 18824 3539 1 6 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.650 0.300 18824 3540 1 6 . 1 1 88 88 LEU C C 88 173.836 173.836 174.911 -1.075 18824 3541 1 6 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.681 -1.300 18824 3542 1 6 . 1 1 88 88 LEU CB C 88 43.952 43.952 43.987 -0.035 18824 3543 1 6 . 1 1 88 88 LEU H H 88 9.041 9.041 8.891 0.150 18824 3544 1 6 . 1 1 89 89 LEU N N 89 126.927 126.927 126.840 0.087 18824 3545 1 6 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.765 0.412 18824 3546 1 6 . 1 1 89 89 LEU C C 89 175.726 175.726 174.890 0.836 18824 3547 1 6 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.639 0.070 18824 3548 1 6 . 1 1 89 89 LEU CB C 89 43.514 43.514 43.971 -0.457 18824 3549 1 6 . 1 1 89 89 LEU H H 89 8.484 8.484 8.918 -0.434 18824 3550 1 6 . 1 1 90 90 VAL N N 90 119.770 119.770 121.213 -1.443 18824 3551 1 6 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.338 0.100 18824 3552 1 6 . 1 1 90 90 VAL C C 90 174.157 174.157 173.565 0.592 18824 3553 1 6 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.942 -0.971 18824 3554 1 6 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.502 1.354 18824 3555 1 6 . 1 1 90 90 VAL H H 90 9.001 9.001 7.735 1.266 18824 3556 1 6 . 1 1 91 91 VAL N N 91 112.698 112.698 120.394 -7.696 18824 3557 1 6 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.449 0.260 18824 3558 1 6 . 1 1 91 91 VAL C C 91 173.993 173.993 173.785 0.208 18824 3559 1 6 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.217 -0.234 18824 3560 1 6 . 1 1 91 91 VAL CB C 91 35.466 35.466 35.094 0.371 18824 3561 1 6 . 1 1 91 91 VAL H H 91 8.011 8.011 8.060 -0.049 18824 3562 1 6 . 1 1 92 92 ASP N N 92 127.066 127.066 125.668 1.398 18824 3563 1 6 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.912 0.094 18824 3564 1 6 . 1 1 92 92 ASP CA C 92 53.078 53.078 52.204 0.874 18824 3565 1 6 . 1 1 92 92 ASP CB C 92 39.764 39.764 41.202 -1.438 18824 3566 1 6 . 1 1 92 92 ASP H H 92 7.878 7.878 8.752 -0.874 18824 3567 1 6 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.290 0.113 18824 3568 1 6 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.289 0.575 18824 3569 1 6 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.974 0.247 18824 3570 1 6 . 1 1 94 94 GLU N N 94 119.504 119.504 119.095 0.409 18824 3571 1 6 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.128 -0.078 18824 3572 1 6 . 1 1 94 94 GLU C C 94 179.182 179.182 178.972 0.210 18824 3573 1 6 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.479 -0.261 18824 3574 1 6 . 1 1 94 94 GLU CB C 94 28.950 28.950 29.192 -0.242 18824 3575 1 6 . 1 1 94 94 GLU H H 94 8.156 8.156 8.085 0.071 18824 3576 1 6 . 1 1 95 95 THR N N 95 120.651 120.651 116.592 4.059 18824 3577 1 6 . 1 1 95 95 THR HA H 95 3.751 3.751 4.075 -0.324 18824 3578 1 6 . 1 1 95 95 THR C C 95 175.888 175.888 176.220 -0.332 18824 3579 1 6 . 1 1 95 95 THR CA C 95 65.764 65.764 67.117 -1.353 18824 3580 1 6 . 1 1 95 95 THR CB C 95 67.338 67.338 68.592 -1.254 18824 3581 1 6 . 1 1 95 95 THR H H 95 8.315 8.315 8.530 -0.214 18824 3582 1 6 . 1 1 96 96 ASP N N 96 120.554 120.554 121.581 -1.027 18824 3583 1 6 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.363 -0.130 18824 3584 1 6 . 1 1 96 96 ASP C C 96 178.275 178.275 178.076 0.199 18824 3585 1 6 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.921 -1.700 18824 3586 1 6 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.916 0.122 18824 3587 1 6 . 1 1 96 96 ASP H H 96 8.381 8.381 8.673 -0.292 18824 3588 1 6 . 1 1 97 97 GLU N N 97 117.457 117.457 120.046 -2.589 18824 3589 1 6 . 1 1 97 97 GLU HA H 97 3.865 3.865 4.155 -0.290 18824 3590 1 6 . 1 1 97 97 GLU C C 97 178.790 178.790 178.904 -0.114 18824 3591 1 6 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.047 0.162 18824 3592 1 6 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.804 -0.758 18824 3593 1 6 . 1 1 97 97 GLU H H 97 7.727 7.727 7.831 -0.104 18824 3594 1 6 . 1 1 98 98 GLN N N 98 118.704 118.704 118.406 0.298 18824 3595 1 6 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.103 -0.129 18824 3596 1 6 . 1 1 98 98 GLN C C 98 178.756 178.756 178.609 0.147 18824 3597 1 6 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.465 -0.224 18824 3598 1 6 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.534 -0.602 18824 3599 1 6 . 1 1 98 98 GLN H H 98 7.733 7.733 7.584 0.149 18824 3600 1 6 . 1 1 99 99 LEU N N 99 119.242 119.242 120.302 -1.060 18824 3601 1 6 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.945 -0.031 18824 3602 1 6 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.431 0.288 18824 3603 1 6 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.823 -1.940 18824 3604 1 6 . 1 1 99 99 LEU H H 99 8.494 8.494 8.562 -0.068 18824 3605 1 6 . 1 1 100 100 GLN N N 100 118.689 118.689 118.467 0.222 18824 3606 1 6 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.324 -0.360 18824 3607 1 6 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.316 0.318 18824 3608 1 6 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.252 -0.534 18824 3609 1 6 . 1 1 100 100 GLN H H 100 8.202 8.202 8.492 -0.290 18824 3610 1 6 . 1 1 101 101 LYS N N 101 120.369 120.369 120.255 0.114 18824 3611 1 6 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.141 -0.207 18824 3612 1 6 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.421 0.321 18824 3613 1 6 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.205 -0.344 18824 3614 1 6 . 1 1 101 101 LYS H H 101 7.783 7.783 7.596 0.187 18824 3615 1 6 . 1 1 102 102 LEU N N 102 117.862 117.862 118.542 -0.680 18824 3616 1 6 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.285 -0.128 18824 3617 1 6 . 1 1 102 102 LEU C C 102 177.526 177.526 177.469 0.057 18824 3618 1 6 . 1 1 102 102 LEU CA C 102 55.174 55.174 54.929 0.244 18824 3619 1 6 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.067 0.899 18824 3620 1 6 . 1 1 102 102 LEU H H 102 7.512 7.512 7.409 0.103 18824 3621 1 6 . 1 1 103 103 GLY N N 103 108.863 108.863 106.563 2.300 18824 3622 1 6 . 1 1 103 103 GLY C C 103 174.353 174.353 174.319 0.034 18824 3623 1 6 . 1 1 103 103 GLY CA C 103 45.565 45.565 45.066 0.499 18824 3624 1 6 . 1 1 103 103 GLY H H 103 7.851 7.851 7.647 0.204 18824 3625 1 6 . 1 1 104 104 VAL N N 104 120.506 120.506 120.627 -0.121 18824 3626 1 6 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.216 -0.364 18824 3627 1 6 . 1 1 104 104 VAL CA C 104 61.751 61.751 61.849 -0.098 18824 3628 1 6 . 1 1 104 104 VAL CB C 104 32.824 32.824 32.623 0.201 18824 3629 1 6 . 1 1 104 104 VAL H H 104 7.726 7.726 7.695 0.031 18824 3630 1 6 . 1 1 105 105 GLN N N 105 124.776 124.776 128.411 -3.635 18824 3631 1 6 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.538 -0.431 18824 3632 1 6 . 1 1 105 105 GLN CA C 105 55.170 55.170 54.398 0.772 18824 3633 1 6 . 1 1 105 105 GLN CB C 105 28.783 28.783 27.529 1.254 18824 3634 1 6 . 1 1 105 105 GLN H H 105 8.245 8.245 8.931 -0.686 18824 3635 1 6 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.688 -0.227 18824 3636 1 6 . 1 1 106 106 VAL C C 106 179.182 179.182 176.401 2.781 18824 3637 1 6 . 1 1 106 106 VAL CA C 106 64.553 64.553 64.859 -0.306 18824 3638 1 6 . 1 1 106 106 VAL CB C 106 30.309 30.309 32.049 -1.740 18824 3639 1 6 . 1 1 106 106 VAL H H 106 8.504 8.504 7.657 0.847 18824 3640 1 6 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.019 0.221 18824 3641 1 6 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.292 -0.673 18824 3642 1 6 . 1 1 108 108 GLU CA C 108 59.746 59.746 56.918 2.828 18824 3643 1 6 . 1 1 108 108 GLU CB C 108 29.234 29.234 31.043 -1.809 18824 3644 1 6 . 1 1 108 108 GLU H H 108 8.690 8.690 7.586 1.104 18824 3645 1 6 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.027 0.015 18824 3646 1 6 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.149 -0.789 18824 3647 1 6 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.859 0.261 18824 3648 1 6 . 1 1 111 111 LEU N N 111 116.974 116.974 117.884 -0.910 18824 3649 1 6 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.038 0.045 18824 3650 1 6 . 1 1 111 111 LEU C C 111 177.598 177.598 178.720 -1.122 18824 3651 1 6 . 1 1 111 111 LEU CA C 111 55.628 55.628 57.735 -2.107 18824 3652 1 6 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.433 -0.456 18824 3653 1 6 . 1 1 111 111 LEU H H 111 7.791 7.791 7.631 0.160 18824 3654 1 6 . 1 1 112 112 ARG N N 112 119.231 119.231 119.700 -0.469 18824 3655 1 6 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.062 0.090 18824 3656 1 6 . 1 1 112 112 ARG C C 112 176.246 176.246 177.749 -1.503 18824 3657 1 6 . 1 1 112 112 ARG CA C 112 56.180 56.180 58.199 -2.018 18824 3658 1 6 . 1 1 112 112 ARG CB C 112 30.340 30.340 30.339 0.001 18824 3659 1 6 . 1 1 112 112 ARG H H 112 7.528 7.528 8.223 -0.695 18824 3660 1 6 . 1 1 113 113 ALA N N 113 123.896 123.896 120.665 3.231 18824 3661 1 6 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.066 0.073 18824 3662 1 6 . 1 1 113 113 ALA C C 113 177.783 177.783 178.703 -0.920 18824 3663 1 6 . 1 1 113 113 ALA CA C 113 52.649 52.649 54.127 -1.478 18824 3664 1 6 . 1 1 113 113 ALA CB C 113 18.618 18.618 18.942 -0.324 18824 3665 1 6 . 1 1 113 113 ALA H H 113 7.954 7.954 7.745 0.209 18824 3666 1 6 . 1 1 114 114 GLN N N 114 118.555 118.555 117.732 0.823 18824 3667 1 6 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.147 0.012 18824 3668 1 6 . 1 1 114 114 GLN C C 114 175.815 175.815 174.882 0.933 18824 3669 1 6 . 1 1 114 114 GLN CA C 114 55.551 55.551 55.630 -0.079 18824 3670 1 6 . 1 1 114 114 GLN CB C 114 29.023 29.023 26.661 2.362 18824 3671 1 6 . 1 1 114 114 GLN H H 114 8.121 8.121 7.625 0.496 18824 3672 1 6 . 1 1 115 115 GLU N N 115 121.589 121.589 120.007 1.582 18824 3673 1 6 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.633 -0.503 18824 3674 1 6 . 1 1 115 115 GLU C C 115 175.637 175.637 174.836 0.801 18824 3675 1 6 . 1 1 115 115 GLU CA C 115 55.779 55.779 55.459 0.320 18824 3676 1 6 . 1 1 115 115 GLU CB C 115 30.038 30.038 32.023 -1.985 18824 3677 1 6 . 1 1 115 115 GLU H H 115 8.164 8.164 8.063 0.101 18824 3678 1 6 . 1 1 116 116 ALA N N 116 126.435 126.435 124.121 2.314 18824 3679 1 6 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.666 -0.207 18824 3680 1 6 . 1 1 116 116 ALA CA C 116 50.094 50.094 50.219 -0.125 18824 3681 1 6 . 1 1 116 116 ALA CB C 116 17.622 17.622 19.462 -1.840 18824 3682 1 6 . 1 1 116 116 ALA H H 116 8.266 8.266 8.366 -0.100 18824 3683 1 6 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.316 -0.012 18824 3684 1 6 . 1 1 117 117 PRO C C 117 177.580 177.580 177.543 0.037 18824 3685 1 6 . 1 1 117 117 PRO CA C 117 62.789 62.789 63.385 -0.596 18824 3686 1 6 . 1 1 117 117 PRO CB C 117 31.812 31.812 30.999 0.813 18824 3687 1 6 . 1 1 118 118 GLY N N 118 109.304 109.304 114.078 -4.774 18824 3688 1 6 . 1 1 118 118 GLY C C 118 173.872 173.872 174.709 -0.837 18824 3689 1 6 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.008 0.006 18824 3690 1 6 . 1 1 118 118 GLY H H 118 8.425 8.425 8.262 0.163 18824 3691 1 6 . 1 1 119 119 GLN N N 119 120.070 120.070 118.297 1.773 18824 3692 1 6 . 1 1 119 119 GLN HA H 119 4.214 4.214 3.968 0.246 18824 3693 1 6 . 1 1 119 119 GLN C C 119 174.692 174.692 174.101 0.591 18824 3694 1 6 . 1 1 119 119 GLN CA C 119 55.442 55.442 56.277 -0.835 18824 3695 1 6 . 1 1 119 119 GLN CB C 119 29.308 29.308 28.262 1.046 18824 3696 1 6 . 1 1 119 119 GLN H H 119 8.081 8.081 8.697 -0.616 18824 3697 1 7 . 1 1 5 5 ILE N N 5 119.691 119.691 120.590 -0.899 18824 3698 1 7 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.302 -0.244 18824 3699 1 7 . 1 1 5 5 ILE C C 5 175.649 175.649 175.123 0.526 18824 3700 1 7 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.038 -0.442 18824 3701 1 7 . 1 1 5 5 ILE CB C 5 38.674 38.674 40.484 -1.810 18824 3702 1 7 . 1 1 5 5 ILE H H 5 8.370 8.370 8.241 0.129 18824 3703 1 7 . 1 1 6 6 ASP N N 6 126.564 126.564 126.822 -0.258 18824 3704 1 7 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.717 -0.027 18824 3705 1 7 . 1 1 6 6 ASP CA C 6 52.261 52.261 52.045 0.216 18824 3706 1 7 . 1 1 6 6 ASP CB C 6 40.555 40.555 42.163 -1.608 18824 3707 1 7 . 1 1 6 6 ASP H H 6 8.373 8.373 8.457 -0.084 18824 3708 1 7 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.135 0.025 18824 3709 1 7 . 1 1 7 7 PRO C C 7 176.417 176.417 175.725 0.692 18824 3710 1 7 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.873 -0.822 18824 3711 1 7 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.054 -0.374 18824 3712 1 7 . 1 1 8 8 PHE N N 8 117.858 117.858 117.049 0.809 18824 3713 1 7 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.645 -0.101 18824 3714 1 7 . 1 1 8 8 PHE CA C 8 57.253 57.253 58.072 -0.819 18824 3715 1 7 . 1 1 8 8 PHE CB C 8 38.444 38.444 41.460 -3.016 18824 3716 1 7 . 1 1 8 8 PHE H H 8 7.974 7.974 7.556 0.418 18824 3717 1 7 . 1 1 9 9 THR N N 9 112.459 112.459 120.126 -7.667 18824 3718 1 7 . 1 1 9 9 THR HA H 9 4.338 4.338 4.553 -0.215 18824 3719 1 7 . 1 1 9 9 THR C C 9 175.888 175.888 173.809 2.079 18824 3720 1 7 . 1 1 9 9 THR CA C 9 60.827 60.827 61.353 -0.526 18824 3721 1 7 . 1 1 9 9 THR CB C 9 69.387 69.387 69.811 -0.424 18824 3722 1 7 . 1 1 9 9 THR H H 9 7.927 7.927 8.259 -0.332 18824 3723 1 7 . 1 1 10 10 MET N N 10 121.338 121.338 121.957 -0.619 18824 3724 1 7 . 1 1 10 10 MET HA H 10 4.310 4.310 4.198 0.112 18824 3725 1 7 . 1 1 10 10 MET C C 10 174.386 174.386 174.982 -0.596 18824 3726 1 7 . 1 1 10 10 MET CA C 10 52.415 52.415 56.032 -3.617 18824 3727 1 7 . 1 1 10 10 MET H H 10 7.648 7.648 8.495 -0.847 18824 3728 1 7 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.732 -0.042 18824 3729 1 7 . 1 1 11 11 LEU CA C 11 52.606 52.606 53.157 -0.551 18824 3730 1 7 . 1 1 11 11 LEU CB C 11 44.079 44.079 41.236 2.843 18824 3731 1 7 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.595 0.022 18824 3732 1 7 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.779 -0.514 18824 3733 1 7 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.590 -0.764 18824 3734 1 7 . 1 1 13 13 ARG N N 13 118.005 118.005 119.241 -1.236 18824 3735 1 7 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.618 -0.234 18824 3736 1 7 . 1 1 13 13 ARG C C 13 173.498 173.498 174.597 -1.099 18824 3737 1 7 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.229 0.446 18824 3738 1 7 . 1 1 13 13 ARG CB C 13 32.565 32.565 33.938 -1.373 18824 3739 1 7 . 1 1 13 13 ARG H H 13 8.484 8.484 8.011 0.473 18824 3740 1 7 . 1 1 14 14 LEU N N 14 124.897 124.897 123.296 1.601 18824 3741 1 7 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.394 0.474 18824 3742 1 7 . 1 1 14 14 LEU C C 14 176.144 176.144 175.946 0.198 18824 3743 1 7 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.513 -1.466 18824 3744 1 7 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.387 0.570 18824 3745 1 7 . 1 1 14 14 LEU H H 14 8.520 8.520 8.485 0.035 18824 3746 1 7 . 1 1 15 15 CYS N N 15 127.167 127.167 127.417 -0.250 18824 3747 1 7 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.579 0.012 18824 3748 1 7 . 1 1 15 15 CYS C C 15 173.408 173.408 174.195 -0.787 18824 3749 1 7 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.653 -1.199 18824 3750 1 7 . 1 1 15 15 CYS CB C 15 29.325 29.325 26.931 2.394 18824 3751 1 7 . 1 1 15 15 CYS H H 15 9.247 9.247 9.049 0.198 18824 3752 1 7 . 1 1 16 16 CYS N N 16 125.133 125.133 125.207 -0.074 18824 3753 1 7 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.492 -0.756 18824 3754 1 7 . 1 1 16 16 CYS C C 16 172.784 172.784 174.413 -1.629 18824 3755 1 7 . 1 1 16 16 CYS CA C 16 58.040 58.040 56.842 1.198 18824 3756 1 7 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.616 -0.374 18824 3757 1 7 . 1 1 16 16 CYS H H 16 9.049 9.049 8.735 0.314 18824 3758 1 7 . 1 1 17 17 LEU N N 17 124.624 124.624 121.625 2.999 18824 3759 1 7 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.980 -0.328 18824 3760 1 7 . 1 1 17 17 LEU C C 17 175.672 175.672 175.224 0.448 18824 3761 1 7 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.159 2.065 18824 3762 1 7 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.812 -0.770 18824 3763 1 7 . 1 1 17 17 LEU H H 17 8.750 8.750 8.443 0.307 18824 3764 1 7 . 1 1 18 18 GLU N N 18 121.610 121.610 120.202 1.408 18824 3765 1 7 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.621 0.139 18824 3766 1 7 . 1 1 18 18 GLU C C 18 175.548 175.548 176.204 -0.656 18824 3767 1 7 . 1 1 18 18 GLU CA C 18 54.861 54.861 55.435 -0.574 18824 3768 1 7 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.360 -0.048 18824 3769 1 7 . 1 1 18 18 GLU H H 18 8.304 8.304 8.721 -0.417 18824 3770 1 7 . 1 1 19 19 LYS N N 19 123.922 123.922 128.378 -4.456 18824 3771 1 7 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.942 -0.832 18824 3772 1 7 . 1 1 19 19 LYS C C 19 176.635 176.635 176.278 0.357 18824 3773 1 7 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.371 2.116 18824 3774 1 7 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.633 -0.308 18824 3775 1 7 . 1 1 19 19 LYS H H 19 8.131 8.131 8.378 -0.247 18824 3776 1 7 . 1 1 20 20 GLY N N 20 112.282 112.282 114.581 -2.299 18824 3777 1 7 . 1 1 20 20 GLY CA C 20 44.045 44.045 44.420 -0.375 18824 3778 1 7 . 1 1 20 20 GLY H H 20 6.955 6.955 8.685 -1.730 18824 3779 1 7 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.387 -0.210 18824 3780 1 7 . 1 1 21 21 PRO C C 21 177.081 177.081 175.903 1.178 18824 3781 1 7 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.754 -0.432 18824 3782 1 7 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.659 -0.078 18824 3783 1 7 . 1 1 22 22 ASN N N 22 114.637 114.637 115.084 -0.447 18824 3784 1 7 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.739 0.180 18824 3785 1 7 . 1 1 22 22 ASN C C 22 175.102 175.102 175.641 -0.539 18824 3786 1 7 . 1 1 22 22 ASN CA C 22 51.618 51.618 51.625 -0.007 18824 3787 1 7 . 1 1 22 22 ASN CB C 22 38.930 38.930 38.041 0.889 18824 3788 1 7 . 1 1 22 22 ASN H H 22 8.462 8.462 7.582 0.880 18824 3789 1 7 . 1 1 23 23 GLY N N 23 107.193 107.193 109.015 -1.822 18824 3790 1 7 . 1 1 23 23 GLY C C 23 174.932 174.932 173.614 1.318 18824 3791 1 7 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.954 -1.528 18824 3792 1 7 . 1 1 23 23 GLY H H 23 7.499 7.499 7.681 -0.182 18824 3793 1 7 . 1 1 24 24 TYR N N 24 119.910 119.910 122.607 -2.697 18824 3794 1 7 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.949 -0.640 18824 3795 1 7 . 1 1 24 24 TYR C C 24 177.188 177.188 175.688 1.500 18824 3796 1 7 . 1 1 24 24 TYR CA C 24 60.745 60.745 57.011 3.734 18824 3797 1 7 . 1 1 24 24 TYR CB C 24 40.447 40.447 41.483 -1.036 18824 3798 1 7 . 1 1 24 24 TYR H H 24 8.894 8.894 7.891 1.003 18824 3799 1 7 . 1 1 25 25 GLY N N 25 104.016 104.016 106.484 -2.468 18824 3800 1 7 . 1 1 25 25 GLY C C 25 173.020 173.020 172.879 0.141 18824 3801 1 7 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.338 0.183 18824 3802 1 7 . 1 1 25 25 GLY H H 25 8.394 8.394 8.146 0.248 18824 3803 1 7 . 1 1 26 26 PHE N N 26 110.891 110.891 117.358 -6.467 18824 3804 1 7 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.682 -0.043 18824 3805 1 7 . 1 1 26 26 PHE C C 26 172.250 172.250 173.635 -1.385 18824 3806 1 7 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.043 0.063 18824 3807 1 7 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.994 -0.304 18824 3808 1 7 . 1 1 26 26 PHE H H 26 6.711 6.711 7.433 -0.722 18824 3809 1 7 . 1 1 27 27 HIS N N 27 118.261 118.261 119.640 -1.379 18824 3810 1 7 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.799 -0.015 18824 3811 1 7 . 1 1 27 27 HIS C C 27 174.659 174.659 173.473 1.186 18824 3812 1 7 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.272 -0.715 18824 3813 1 7 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.324 -0.480 18824 3814 1 7 . 1 1 27 27 HIS H H 27 7.964 7.964 9.160 -1.196 18824 3815 1 7 . 1 1 28 28 LEU N N 28 125.694 125.694 126.158 -0.464 18824 3816 1 7 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.174 0.311 18824 3817 1 7 . 1 1 28 28 LEU C C 28 176.849 176.849 175.932 0.917 18824 3818 1 7 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.559 0.104 18824 3819 1 7 . 1 1 28 28 LEU CB C 28 45.031 45.031 44.808 0.223 18824 3820 1 7 . 1 1 28 28 LEU H H 28 9.554 9.554 8.753 0.801 18824 3821 1 7 . 1 1 29 29 HIS N N 29 119.263 119.263 123.627 -4.364 18824 3822 1 7 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.147 -0.386 18824 3823 1 7 . 1 1 29 29 HIS C C 29 173.447 173.447 173.712 -0.265 18824 3824 1 7 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.718 2.073 18824 3825 1 7 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.352 -0.516 18824 3826 1 7 . 1 1 29 29 HIS H H 29 9.625 9.625 9.549 0.076 18824 3827 1 7 . 1 1 30 30 GLY N N 30 110.254 110.254 109.142 1.112 18824 3828 1 7 . 1 1 30 30 GLY C C 30 172.917 172.917 173.588 -0.671 18824 3829 1 7 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.452 -0.469 18824 3830 1 7 . 1 1 30 30 GLY H H 30 8.403 8.403 8.611 -0.208 18824 3831 1 7 . 1 1 31 31 GLU N N 31 119.753 119.753 125.070 -5.317 18824 3832 1 7 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.277 0.006 18824 3833 1 7 . 1 1 31 31 GLU C C 31 175.939 175.939 176.501 -0.562 18824 3834 1 7 . 1 1 31 31 GLU CA C 31 54.431 54.431 56.565 -2.134 18824 3835 1 7 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.543 1.800 18824 3836 1 7 . 1 1 31 31 GLU H H 31 9.060 9.060 8.755 0.305 18824 3837 1 7 . 1 1 32 32 LYS N N 32 124.046 124.046 126.565 -2.519 18824 3838 1 7 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.065 -0.151 18824 3839 1 7 . 1 1 32 32 LYS C C 32 177.776 177.776 177.411 0.365 18824 3840 1 7 . 1 1 32 32 LYS CA C 32 57.714 57.714 58.114 -0.400 18824 3841 1 7 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.470 -0.639 18824 3842 1 7 . 1 1 32 32 LYS H H 32 8.424 8.424 8.761 -0.337 18824 3843 1 7 . 1 1 33 33 GLY N N 33 113.177 113.177 113.453 -0.276 18824 3844 1 7 . 1 1 33 33 GLY C C 33 173.408 173.408 174.251 -0.843 18824 3845 1 7 . 1 1 33 33 GLY CA C 33 45.033 45.033 44.775 0.258 18824 3846 1 7 . 1 1 33 33 GLY H H 33 8.856 8.856 8.651 0.205 18824 3847 1 7 . 1 1 34 34 LYS N N 34 118.719 118.719 120.733 -2.014 18824 3848 1 7 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.686 -0.046 18824 3849 1 7 . 1 1 34 34 LYS C C 34 176.528 176.528 176.157 0.371 18824 3850 1 7 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.283 -0.726 18824 3851 1 7 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.861 1.002 18824 3852 1 7 . 1 1 34 34 LYS H H 34 7.790 7.790 7.647 0.143 18824 3853 1 7 . 1 1 35 35 LEU N N 35 124.084 124.084 118.176 5.908 18824 3854 1 7 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.739 -0.254 18824 3855 1 7 . 1 1 35 35 LEU C C 35 177.646 177.646 176.528 1.118 18824 3856 1 7 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.134 0.528 18824 3857 1 7 . 1 1 35 35 LEU CB C 35 42.676 42.676 42.489 0.187 18824 3858 1 7 . 1 1 35 35 LEU H H 35 8.759 8.759 8.538 0.221 18824 3859 1 7 . 1 1 36 36 GLY N N 36 110.962 110.962 106.480 4.482 18824 3860 1 7 . 1 1 36 36 GLY C C 36 173.070 173.070 173.426 -0.356 18824 3861 1 7 . 1 1 36 36 GLY CA C 36 44.526 44.526 43.836 0.690 18824 3862 1 7 . 1 1 36 36 GLY H H 36 8.533 8.533 7.617 0.916 18824 3863 1 7 . 1 1 37 37 GLN N N 37 117.136 117.136 121.311 -4.175 18824 3864 1 7 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.674 -0.185 18824 3865 1 7 . 1 1 37 37 GLN C C 37 173.925 173.925 174.597 -0.672 18824 3866 1 7 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.632 0.174 18824 3867 1 7 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.080 0.763 18824 3868 1 7 . 1 1 37 37 GLN H H 37 8.885 8.885 8.144 0.741 18824 3869 1 7 . 1 1 38 38 TYR N N 38 119.053 119.053 119.378 -0.325 18824 3870 1 7 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.156 0.039 18824 3871 1 7 . 1 1 38 38 TYR C C 38 176.110 176.110 175.429 0.681 18824 3872 1 7 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.106 -0.876 18824 3873 1 7 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.366 -0.384 18824 3874 1 7 . 1 1 38 38 TYR H H 38 8.719 8.719 9.202 -0.483 18824 3875 1 7 . 1 1 39 39 ILE N N 39 120.624 120.624 122.565 -1.941 18824 3876 1 7 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.439 -0.189 18824 3877 1 7 . 1 1 39 39 ILE C C 39 175.797 175.797 176.952 -1.155 18824 3878 1 7 . 1 1 39 39 ILE CA C 39 60.231 60.231 61.928 -1.697 18824 3879 1 7 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.556 -1.162 18824 3880 1 7 . 1 1 39 39 ILE H H 39 9.208 9.208 8.837 0.371 18824 3881 1 7 . 1 1 40 40 ARG N N 40 130.372 130.372 129.119 1.253 18824 3882 1 7 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.472 -0.385 18824 3883 1 7 . 1 1 40 40 ARG C C 40 174.846 174.846 175.626 -0.780 18824 3884 1 7 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.838 -0.228 18824 3885 1 7 . 1 1 40 40 ARG CB C 40 31.315 31.315 32.027 -0.712 18824 3886 1 7 . 1 1 40 40 ARG H H 40 9.240 9.240 9.514 -0.274 18824 3887 1 7 . 1 1 41 41 LEU N N 41 116.642 116.642 119.126 -2.484 18824 3888 1 7 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.691 -0.333 18824 3889 1 7 . 1 1 41 41 LEU C C 41 173.658 173.658 174.356 -0.698 18824 3890 1 7 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.900 -0.215 18824 3891 1 7 . 1 1 41 41 LEU CB C 41 45.215 45.215 46.297 -1.082 18824 3892 1 7 . 1 1 41 41 LEU H H 41 7.130 7.130 7.904 -0.774 18824 3893 1 7 . 1 1 42 42 VAL N N 42 125.934 125.934 122.800 3.134 18824 3894 1 7 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.800 -0.445 18824 3895 1 7 . 1 1 42 42 VAL C C 42 175.548 175.548 175.514 0.034 18824 3896 1 7 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.607 0.646 18824 3897 1 7 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.893 -0.670 18824 3898 1 7 . 1 1 42 42 VAL H H 42 8.731 8.731 8.573 0.158 18824 3899 1 7 . 1 1 43 43 GLU N N 43 128.285 128.285 128.714 -0.429 18824 3900 1 7 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.607 -0.286 18824 3901 1 7 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.176 0.484 18824 3902 1 7 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.754 -1.025 18824 3903 1 7 . 1 1 43 43 GLU H H 43 9.102 9.102 9.232 -0.130 18824 3904 1 7 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.539 -0.099 18824 3905 1 7 . 1 1 44 44 PRO C C 44 178.222 178.222 177.301 0.921 18824 3906 1 7 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.331 -0.033 18824 3907 1 7 . 1 1 44 44 PRO CB C 44 31.388 31.388 30.944 0.444 18824 3908 1 7 . 1 1 45 45 GLY N N 45 113.166 113.166 115.374 -2.208 18824 3909 1 7 . 1 1 45 45 GLY C C 45 173.515 173.515 174.099 -0.584 18824 3910 1 7 . 1 1 45 45 GLY CA C 45 45.525 45.525 44.874 0.651 18824 3911 1 7 . 1 1 45 45 GLY H H 45 9.416 9.416 9.851 -0.435 18824 3912 1 7 . 1 1 46 46 SER N N 46 114.219 114.219 116.949 -2.730 18824 3913 1 7 . 1 1 46 46 SER HA H 46 4.670 4.670 5.010 -0.340 18824 3914 1 7 . 1 1 46 46 SER CA C 46 57.103 57.103 56.027 1.076 18824 3915 1 7 . 1 1 46 46 SER CB C 46 64.458 64.458 64.911 -0.453 18824 3916 1 7 . 1 1 46 46 SER H H 46 7.422 7.422 7.911 -0.489 18824 3917 1 7 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.392 -0.105 18824 3918 1 7 . 1 1 47 47 PRO C C 47 179.487 179.487 177.475 2.012 18824 3919 1 7 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.422 0.915 18824 3920 1 7 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.736 0.603 18824 3921 1 7 . 1 1 48 48 ALA N N 48 116.941 116.941 122.290 -5.349 18824 3922 1 7 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.963 -0.155 18824 3923 1 7 . 1 1 48 48 ALA C C 48 177.063 177.063 179.253 -2.190 18824 3924 1 7 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.113 -0.003 18824 3925 1 7 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.367 1.807 18824 3926 1 7 . 1 1 48 48 ALA H H 48 7.855 7.855 7.706 0.149 18824 3927 1 7 . 1 1 49 49 GLU N N 49 120.064 120.064 117.311 2.753 18824 3928 1 7 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.031 -0.177 18824 3929 1 7 . 1 1 49 49 GLU C C 49 181.038 181.038 178.555 2.483 18824 3930 1 7 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.734 0.447 18824 3931 1 7 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.582 0.088 18824 3932 1 7 . 1 1 49 49 GLU H H 49 7.732 7.732 7.982 -0.250 18824 3933 1 7 . 1 1 50 50 LYS N N 50 120.570 120.570 115.909 4.661 18824 3934 1 7 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.167 -0.243 18824 3935 1 7 . 1 1 50 50 LYS C C 50 177.580 177.580 177.141 0.439 18824 3936 1 7 . 1 1 50 50 LYS CA C 50 58.780 58.780 57.482 1.298 18824 3937 1 7 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.286 -0.482 18824 3938 1 7 . 1 1 50 50 LYS H H 50 8.156 8.156 7.607 0.549 18824 3939 1 7 . 1 1 51 51 ALA N N 51 117.482 117.482 118.713 -1.231 18824 3940 1 7 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.434 -0.126 18824 3941 1 7 . 1 1 51 51 ALA C C 51 177.509 177.509 176.797 0.712 18824 3942 1 7 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.197 -0.079 18824 3943 1 7 . 1 1 51 51 ALA CB C 51 20.195 20.195 20.464 -0.269 18824 3944 1 7 . 1 1 51 51 ALA H H 51 7.730 7.730 7.509 0.221 18824 3945 1 7 . 1 1 52 52 GLY N N 52 103.549 103.549 105.466 -1.917 18824 3946 1 7 . 1 1 52 52 GLY C C 52 174.888 174.888 174.245 0.643 18824 3947 1 7 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.785 0.238 18824 3948 1 7 . 1 1 52 52 GLY H H 52 7.513 7.513 7.413 0.100 18824 3949 1 7 . 1 1 53 53 LEU N N 53 120.806 120.806 121.829 -1.023 18824 3950 1 7 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.341 -0.485 18824 3951 1 7 . 1 1 53 53 LEU C C 53 174.692 174.692 175.598 -0.906 18824 3952 1 7 . 1 1 53 53 LEU CA C 53 55.190 55.190 55.466 -0.276 18824 3953 1 7 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.529 0.465 18824 3954 1 7 . 1 1 53 53 LEU H H 53 7.420 7.420 7.665 -0.245 18824 3955 1 7 . 1 1 54 54 LEU N N 54 122.726 122.726 124.904 -2.178 18824 3956 1 7 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.737 -0.232 18824 3957 1 7 . 1 1 54 54 LEU C C 54 176.350 176.350 174.885 1.465 18824 3958 1 7 . 1 1 54 54 LEU CA C 54 52.981 52.981 52.842 0.139 18824 3959 1 7 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.942 -1.378 18824 3960 1 7 . 1 1 54 54 LEU H H 54 8.546 8.546 8.925 -0.379 18824 3961 1 7 . 1 1 55 55 ALA N N 55 122.735 122.735 125.734 -2.999 18824 3962 1 7 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.484 -0.753 18824 3963 1 7 . 1 1 55 55 ALA C C 55 179.077 179.077 177.690 1.387 18824 3964 1 7 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.280 -0.280 18824 3965 1 7 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.713 -0.645 18824 3966 1 7 . 1 1 55 55 ALA H H 55 8.551 8.551 8.660 -0.109 18824 3967 1 7 . 1 1 56 56 GLY N N 56 112.553 112.553 114.108 -1.555 18824 3968 1 7 . 1 1 56 56 GLY C C 56 174.638 174.638 174.708 -0.070 18824 3969 1 7 . 1 1 56 56 GLY CA C 56 44.481 44.481 44.915 -0.434 18824 3970 1 7 . 1 1 56 56 GLY H H 56 9.450 9.450 8.671 0.779 18824 3971 1 7 . 1 1 57 57 ASP N N 57 121.912 121.912 123.269 -1.357 18824 3972 1 7 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.623 -0.076 18824 3973 1 7 . 1 1 57 57 ASP C C 57 174.539 174.539 174.929 -0.390 18824 3974 1 7 . 1 1 57 57 ASP CA C 57 55.157 55.157 55.538 -0.381 18824 3975 1 7 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.562 -0.078 18824 3976 1 7 . 1 1 57 57 ASP H H 57 7.948 7.948 8.081 -0.133 18824 3977 1 7 . 1 1 58 58 ARG N N 58 122.512 122.512 123.537 -1.025 18824 3978 1 7 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.535 -0.554 18824 3979 1 7 . 1 1 58 58 ARG C C 58 175.512 175.512 174.819 0.693 18824 3980 1 7 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.840 -0.671 18824 3981 1 7 . 1 1 58 58 ARG CB C 58 32.435 32.435 31.559 0.876 18824 3982 1 7 . 1 1 58 58 ARG H H 58 8.570 8.570 8.408 0.162 18824 3983 1 7 . 1 1 59 59 LEU N N 59 126.506 126.506 129.305 -2.799 18824 3984 1 7 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.393 -0.334 18824 3985 1 7 . 1 1 59 59 LEU C C 59 174.420 174.420 175.453 -1.033 18824 3986 1 7 . 1 1 59 59 LEU CA C 59 55.179 55.179 54.972 0.207 18824 3987 1 7 . 1 1 59 59 LEU CB C 59 42.475 42.475 41.990 0.485 18824 3988 1 7 . 1 1 59 59 LEU H H 59 7.917 7.917 8.775 -0.858 18824 3989 1 7 . 1 1 60 60 VAL N N 60 124.914 124.914 127.454 -2.540 18824 3990 1 7 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.014 -0.104 18824 3991 1 7 . 1 1 60 60 VAL CA C 60 63.788 63.788 64.273 -0.485 18824 3992 1 7 . 1 1 60 60 VAL CB C 60 32.805 32.805 32.510 0.295 18824 3993 1 7 . 1 1 60 60 VAL H H 60 8.781 8.781 9.044 -0.263 18824 3994 1 7 . 1 1 61 61 GLU N N 61 112.868 112.868 117.762 -4.894 18824 3995 1 7 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.052 0.160 18824 3996 1 7 . 1 1 61 61 GLU C C 61 175.717 175.717 174.326 1.391 18824 3997 1 7 . 1 1 61 61 GLU CA C 61 54.186 54.186 55.043 -0.857 18824 3998 1 7 . 1 1 61 61 GLU CB C 61 34.458 34.458 33.813 0.645 18824 3999 1 7 . 1 1 61 61 GLU H H 61 7.332 7.332 7.675 -0.343 18824 4000 1 7 . 1 1 62 62 VAL N N 62 118.357 118.357 124.052 -5.695 18824 4001 1 7 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.872 -0.550 18824 4002 1 7 . 1 1 62 62 VAL C C 62 175.495 175.495 176.052 -0.557 18824 4003 1 7 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.855 -0.105 18824 4004 1 7 . 1 1 62 62 VAL CB C 62 33.376 33.376 33.294 0.082 18824 4005 1 7 . 1 1 62 62 VAL H H 62 8.342 8.342 8.637 -0.295 18824 4006 1 7 . 1 1 63 63 ASN N N 63 129.063 129.063 127.188 1.875 18824 4007 1 7 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.258 -0.079 18824 4008 1 7 . 1 1 63 63 ASN C C 63 175.051 175.051 175.395 -0.344 18824 4009 1 7 . 1 1 63 63 ASN CA C 63 53.644 53.644 56.565 -2.921 18824 4010 1 7 . 1 1 63 63 ASN CB C 63 36.328 36.328 38.208 -1.880 18824 4011 1 7 . 1 1 63 63 ASN H H 63 9.830 9.830 9.541 0.289 18824 4012 1 7 . 1 1 64 64 GLY N N 64 103.346 103.346 104.819 -1.473 18824 4013 1 7 . 1 1 64 64 GLY C C 64 173.276 173.276 173.099 0.177 18824 4014 1 7 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.327 -0.284 18824 4015 1 7 . 1 1 64 64 GLY H H 64 9.222 9.222 8.334 0.888 18824 4016 1 7 . 1 1 65 65 GLU N N 65 119.230 119.230 120.314 -1.084 18824 4017 1 7 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.591 -0.102 18824 4018 1 7 . 1 1 65 65 GLU C C 65 174.745 174.745 174.818 -0.073 18824 4019 1 7 . 1 1 65 65 GLU CA C 65 53.691 53.691 54.299 -0.608 18824 4020 1 7 . 1 1 65 65 GLU CB C 65 30.802 30.802 33.039 -2.237 18824 4021 1 7 . 1 1 65 65 GLU H H 65 7.553 7.553 7.707 -0.154 18824 4022 1 7 . 1 1 66 66 ASN N N 66 123.478 123.478 124.959 -1.481 18824 4023 1 7 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.715 -0.027 18824 4024 1 7 . 1 1 66 66 ASN C C 66 176.144 176.144 176.411 -0.267 18824 4025 1 7 . 1 1 66 66 ASN CA C 66 55.224 55.224 53.463 1.761 18824 4026 1 7 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.548 1.041 18824 4027 1 7 . 1 1 66 66 ASN H H 66 8.865 8.865 8.946 -0.081 18824 4028 1 7 . 1 1 67 67 VAL N N 67 117.695 117.695 121.381 -3.686 18824 4029 1 7 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.173 0.330 18824 4030 1 7 . 1 1 67 67 VAL C C 67 177.475 177.475 177.048 0.427 18824 4031 1 7 . 1 1 67 67 VAL CA C 67 59.756 59.756 63.202 -3.446 18824 4032 1 7 . 1 1 67 67 VAL CB C 67 31.321 31.321 31.325 -0.003 18824 4033 1 7 . 1 1 67 67 VAL H H 67 8.210 8.210 8.444 -0.234 18824 4034 1 7 . 1 1 68 68 GLU N N 68 122.899 122.899 120.680 2.219 18824 4035 1 7 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.155 -0.234 18824 4036 1 7 . 1 1 68 68 GLU C C 68 177.348 177.348 176.915 0.433 18824 4037 1 7 . 1 1 68 68 GLU CA C 68 59.762 59.762 57.858 1.904 18824 4038 1 7 . 1 1 68 68 GLU CB C 68 31.210 31.210 28.891 2.319 18824 4039 1 7 . 1 1 68 68 GLU H H 68 8.427 8.427 7.688 0.739 18824 4040 1 7 . 1 1 69 69 LYS N N 69 113.848 113.848 116.751 -2.903 18824 4041 1 7 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.561 -0.147 18824 4042 1 7 . 1 1 69 69 LYS C C 69 176.510 176.510 176.518 -0.008 18824 4043 1 7 . 1 1 69 69 LYS CA C 69 54.675 54.675 55.010 -0.335 18824 4044 1 7 . 1 1 69 69 LYS CB C 69 31.762 31.762 33.087 -1.325 18824 4045 1 7 . 1 1 69 69 LYS H H 69 8.576 8.576 7.436 1.140 18824 4046 1 7 . 1 1 70 70 GLU N N 70 119.980 119.980 118.926 1.054 18824 4047 1 7 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.611 -0.250 18824 4048 1 7 . 1 1 70 70 GLU C C 70 176.831 176.831 175.695 1.136 18824 4049 1 7 . 1 1 70 70 GLU CA C 70 56.329 56.329 54.796 1.533 18824 4050 1 7 . 1 1 70 70 GLU CB C 70 31.293 31.293 31.256 0.037 18824 4051 1 7 . 1 1 70 70 GLU H H 70 6.994 6.994 7.780 -0.786 18824 4052 1 7 . 1 1 71 71 THR N N 71 110.696 110.696 106.781 3.915 18824 4053 1 7 . 1 1 71 71 THR HA H 71 4.270 4.270 4.722 -0.452 18824 4054 1 7 . 1 1 71 71 THR C C 71 174.812 174.812 175.078 -0.266 18824 4055 1 7 . 1 1 71 71 THR CA C 71 60.267 60.267 60.096 0.171 18824 4056 1 7 . 1 1 71 71 THR CB C 71 71.497 71.497 71.652 -0.155 18824 4057 1 7 . 1 1 71 71 THR H H 71 8.675 8.675 8.024 0.651 18824 4058 1 7 . 1 1 72 72 HIS N N 72 118.876 118.876 120.850 -1.974 18824 4059 1 7 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.090 -0.506 18824 4060 1 7 . 1 1 72 72 HIS C C 72 175.802 175.802 177.349 -1.547 18824 4061 1 7 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.229 -0.512 18824 4062 1 7 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.978 -1.694 18824 4063 1 7 . 1 1 72 72 HIS H H 72 9.171 9.171 8.980 0.191 18824 4064 1 7 . 1 1 73 73 GLN N N 73 115.563 115.563 117.803 -2.240 18824 4065 1 7 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.111 -0.342 18824 4066 1 7 . 1 1 73 73 GLN C C 73 179.060 179.060 178.645 0.415 18824 4067 1 7 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.173 -0.430 18824 4068 1 7 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.335 -0.542 18824 4069 1 7 . 1 1 73 73 GLN H H 73 8.666 8.666 8.630 0.036 18824 4070 1 7 . 1 1 74 74 GLN N N 74 119.687 119.687 119.394 0.293 18824 4071 1 7 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.043 -0.206 18824 4072 1 7 . 1 1 74 74 GLN C C 74 179.309 179.309 178.746 0.563 18824 4073 1 7 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.966 -0.243 18824 4074 1 7 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.971 -0.217 18824 4075 1 7 . 1 1 74 74 GLN H H 74 7.614 7.614 7.702 -0.088 18824 4076 1 7 . 1 1 75 75 VAL N N 75 120.633 120.633 120.551 0.082 18824 4077 1 7 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.627 -0.303 18824 4078 1 7 . 1 1 75 75 VAL C C 75 178.031 178.031 178.016 0.015 18824 4079 1 7 . 1 1 75 75 VAL CA C 75 67.423 67.423 66.814 0.609 18824 4080 1 7 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.208 -0.139 18824 4081 1 7 . 1 1 75 75 VAL H H 75 8.289 8.289 8.422 -0.133 18824 4082 1 7 . 1 1 76 76 VAL N N 76 118.966 118.966 119.946 -0.980 18824 4083 1 7 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.496 -0.168 18824 4084 1 7 . 1 1 76 76 VAL C C 76 178.739 178.739 177.861 0.878 18824 4085 1 7 . 1 1 76 76 VAL CA C 76 66.859 66.859 67.086 -0.227 18824 4086 1 7 . 1 1 76 76 VAL CB C 76 30.847 30.847 31.330 -0.483 18824 4087 1 7 . 1 1 76 76 VAL H H 76 8.364 8.364 8.215 0.149 18824 4088 1 7 . 1 1 77 77 SER N N 77 115.158 115.158 115.491 -0.333 18824 4089 1 7 . 1 1 77 77 SER HA H 77 3.994 3.994 4.113 -0.119 18824 4090 1 7 . 1 1 77 77 SER C C 77 176.849 176.849 176.844 0.005 18824 4091 1 7 . 1 1 77 77 SER CA C 77 62.162 62.162 62.092 0.070 18824 4092 1 7 . 1 1 77 77 SER CB C 77 62.232 62.232 62.910 -0.679 18824 4093 1 7 . 1 1 77 77 SER H H 77 7.871 7.871 8.060 -0.189 18824 4094 1 7 . 1 1 78 78 ARG N N 78 121.310 121.310 121.312 -0.002 18824 4095 1 7 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.041 -0.119 18824 4096 1 7 . 1 1 78 78 ARG C C 78 179.309 179.309 178.716 0.593 18824 4097 1 7 . 1 1 78 78 ARG CA C 78 58.749 58.749 59.030 -0.281 18824 4098 1 7 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.105 0.174 18824 4099 1 7 . 1 1 78 78 ARG H H 78 7.469 7.469 7.765 -0.296 18824 4100 1 7 . 1 1 79 79 ILE N N 79 119.383 119.383 119.551 -0.168 18824 4101 1 7 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.794 -0.391 18824 4102 1 7 . 1 1 79 79 ILE C C 79 178.364 178.364 178.590 -0.226 18824 4103 1 7 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.552 -0.261 18824 4104 1 7 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.663 -0.439 18824 4105 1 7 . 1 1 79 79 ILE H H 79 7.759 7.759 8.141 -0.382 18824 4106 1 7 . 1 1 80 80 ARG N N 80 119.497 119.497 118.838 0.659 18824 4107 1 7 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.169 -0.191 18824 4108 1 7 . 1 1 80 80 ARG C C 80 177.544 177.544 177.168 0.376 18824 4109 1 7 . 1 1 80 80 ARG CA C 80 58.730 58.730 58.070 0.660 18824 4110 1 7 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.757 0.071 18824 4111 1 7 . 1 1 80 80 ARG H H 80 8.407 8.407 7.591 0.816 18824 4112 1 7 . 1 1 81 81 ALA N N 81 118.814 118.814 119.681 -0.867 18824 4113 1 7 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.281 -0.220 18824 4114 1 7 . 1 1 81 81 ALA C C 81 177.473 177.473 177.228 0.245 18824 4115 1 7 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.787 0.019 18824 4116 1 7 . 1 1 81 81 ALA CB C 81 18.604 18.604 18.835 -0.231 18824 4117 1 7 . 1 1 81 81 ALA H H 81 7.392 7.392 7.273 0.119 18824 4118 1 7 . 1 1 82 82 ALA N N 82 121.771 121.771 121.494 0.277 18824 4119 1 7 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.244 0.066 18824 4120 1 7 . 1 1 82 82 ALA C C 82 177.384 177.384 177.146 0.238 18824 4121 1 7 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.245 -0.641 18824 4122 1 7 . 1 1 82 82 ALA CB C 82 17.591 17.591 18.595 -1.004 18824 4123 1 7 . 1 1 82 82 ALA H H 82 7.182 7.182 7.200 -0.018 18824 4124 1 7 . 1 1 83 83 LEU N N 83 122.357 122.357 125.600 -3.243 18824 4125 1 7 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.072 -0.081 18824 4126 1 7 . 1 1 83 83 LEU C C 83 177.366 177.366 178.686 -1.320 18824 4127 1 7 . 1 1 83 83 LEU CA C 83 56.977 56.977 58.157 -1.180 18824 4128 1 7 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.149 -1.163 18824 4129 1 7 . 1 1 83 83 LEU H H 83 8.171 8.171 8.556 -0.385 18824 4130 1 7 . 1 1 84 84 ASN N N 84 114.897 114.897 115.183 -0.286 18824 4131 1 7 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.718 -0.100 18824 4132 1 7 . 1 1 84 84 ASN C C 84 173.651 173.651 174.064 -0.413 18824 4133 1 7 . 1 1 84 84 ASN CA C 84 54.194 54.194 54.543 -0.349 18824 4134 1 7 . 1 1 84 84 ASN CB C 84 39.903 39.903 38.879 1.024 18824 4135 1 7 . 1 1 84 84 ASN H H 84 8.565 8.565 8.621 -0.056 18824 4136 1 7 . 1 1 85 85 ALA N N 85 124.026 124.026 119.667 4.359 18824 4137 1 7 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.167 -0.096 18824 4138 1 7 . 1 1 85 85 ALA C C 85 175.751 175.751 174.729 1.022 18824 4139 1 7 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.267 0.843 18824 4140 1 7 . 1 1 85 85 ALA CB C 85 21.156 21.156 22.032 -0.876 18824 4141 1 7 . 1 1 85 85 ALA H H 85 7.808 7.808 7.395 0.413 18824 4142 1 7 . 1 1 86 86 VAL N N 86 116.130 116.130 119.226 -3.096 18824 4143 1 7 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.380 0.212 18824 4144 1 7 . 1 1 86 86 VAL C C 86 171.876 171.876 174.462 -2.586 18824 4145 1 7 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.913 -0.165 18824 4146 1 7 . 1 1 86 86 VAL CB C 86 34.893 34.893 35.920 -1.027 18824 4147 1 7 . 1 1 86 86 VAL H H 86 8.432 8.432 8.548 -0.116 18824 4148 1 7 . 1 1 87 87 ARG N N 87 124.913 124.913 127.533 -2.620 18824 4149 1 7 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.573 0.425 18824 4150 1 7 . 1 1 87 87 ARG C C 87 175.316 175.316 175.127 0.189 18824 4151 1 7 . 1 1 87 87 ARG CA C 87 53.991 53.991 55.311 -1.320 18824 4152 1 7 . 1 1 87 87 ARG CB C 87 31.805 31.805 30.502 1.303 18824 4153 1 7 . 1 1 87 87 ARG H H 87 8.255 8.255 8.644 -0.389 18824 4154 1 7 . 1 1 88 88 LEU N N 88 125.141 125.141 126.375 -1.234 18824 4155 1 7 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.948 0.002 18824 4156 1 7 . 1 1 88 88 LEU C C 88 173.836 173.836 175.212 -1.376 18824 4157 1 7 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.411 -1.030 18824 4158 1 7 . 1 1 88 88 LEU CB C 88 43.952 43.952 43.714 0.238 18824 4159 1 7 . 1 1 88 88 LEU H H 88 9.041 9.041 9.117 -0.076 18824 4160 1 7 . 1 1 89 89 LEU N N 89 126.927 126.927 129.044 -2.117 18824 4161 1 7 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.992 0.185 18824 4162 1 7 . 1 1 89 89 LEU C C 89 175.726 175.726 174.842 0.884 18824 4163 1 7 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.837 -0.128 18824 4164 1 7 . 1 1 89 89 LEU CB C 89 43.514 43.514 43.671 -0.157 18824 4165 1 7 . 1 1 89 89 LEU H H 89 8.484 8.484 8.793 -0.309 18824 4166 1 7 . 1 1 90 90 VAL N N 90 119.770 119.770 123.042 -3.272 18824 4167 1 7 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.486 -0.048 18824 4168 1 7 . 1 1 90 90 VAL C C 90 174.157 174.157 173.407 0.750 18824 4169 1 7 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.798 -0.827 18824 4170 1 7 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.859 0.997 18824 4171 1 7 . 1 1 90 90 VAL H H 90 9.001 9.001 8.098 0.903 18824 4172 1 7 . 1 1 91 91 VAL N N 91 112.698 112.698 120.392 -7.694 18824 4173 1 7 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.496 0.213 18824 4174 1 7 . 1 1 91 91 VAL C C 91 173.993 173.993 173.949 0.044 18824 4175 1 7 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.336 -0.353 18824 4176 1 7 . 1 1 91 91 VAL CB C 91 35.466 35.466 35.953 -0.487 18824 4177 1 7 . 1 1 91 91 VAL H H 91 8.011 8.011 8.219 -0.208 18824 4178 1 7 . 1 1 92 92 ASP N N 92 127.066 127.066 130.148 -3.082 18824 4179 1 7 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.880 0.126 18824 4180 1 7 . 1 1 92 92 ASP CA C 92 53.078 53.078 54.678 -1.599 18824 4181 1 7 . 1 1 92 92 ASP CB C 92 39.764 39.764 40.471 -0.707 18824 4182 1 7 . 1 1 92 92 ASP H H 92 7.878 7.878 9.038 -1.160 18824 4183 1 7 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.246 0.157 18824 4184 1 7 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.231 0.633 18824 4185 1 7 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.865 0.356 18824 4186 1 7 . 1 1 94 94 GLU N N 94 119.504 119.504 116.890 2.614 18824 4187 1 7 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.000 0.050 18824 4188 1 7 . 1 1 94 94 GLU C C 94 179.182 179.182 178.394 0.788 18824 4189 1 7 . 1 1 94 94 GLU CA C 94 59.218 59.218 60.142 -0.924 18824 4190 1 7 . 1 1 94 94 GLU CB C 94 28.950 28.950 28.532 0.418 18824 4191 1 7 . 1 1 94 94 GLU H H 94 8.156 8.156 8.784 -0.628 18824 4192 1 7 . 1 1 95 95 THR N N 95 120.651 120.651 115.685 4.966 18824 4193 1 7 . 1 1 95 95 THR HA H 95 3.751 3.751 4.331 -0.580 18824 4194 1 7 . 1 1 95 95 THR C C 95 175.888 175.888 176.236 -0.348 18824 4195 1 7 . 1 1 95 95 THR CA C 95 65.764 65.764 66.022 -0.258 18824 4196 1 7 . 1 1 95 95 THR CB C 95 67.338 67.338 68.524 -1.186 18824 4197 1 7 . 1 1 95 95 THR H H 95 8.315 8.315 7.497 0.818 18824 4198 1 7 . 1 1 96 96 ASP N N 96 120.554 120.554 121.729 -1.175 18824 4199 1 7 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.290 -0.057 18824 4200 1 7 . 1 1 96 96 ASP C C 96 178.275 178.275 178.077 0.198 18824 4201 1 7 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.728 -1.507 18824 4202 1 7 . 1 1 96 96 ASP CB C 96 41.038 41.038 41.065 -0.027 18824 4203 1 7 . 1 1 96 96 ASP H H 96 8.381 8.381 8.563 -0.182 18824 4204 1 7 . 1 1 97 97 GLU N N 97 117.457 117.457 119.559 -2.102 18824 4205 1 7 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.965 -0.100 18824 4206 1 7 . 1 1 97 97 GLU C C 97 178.790 178.790 178.786 0.004 18824 4207 1 7 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.311 -0.102 18824 4208 1 7 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.449 -0.403 18824 4209 1 7 . 1 1 97 97 GLU H H 97 7.727 7.727 7.800 -0.073 18824 4210 1 7 . 1 1 98 98 GLN N N 98 118.704 118.704 118.179 0.525 18824 4211 1 7 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.116 -0.142 18824 4212 1 7 . 1 1 98 98 GLN C C 98 178.756 178.756 178.487 0.269 18824 4213 1 7 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.271 -0.031 18824 4214 1 7 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.583 -0.651 18824 4215 1 7 . 1 1 98 98 GLN H H 98 7.733 7.733 7.585 0.148 18824 4216 1 7 . 1 1 99 99 LEU N N 99 119.242 119.242 120.601 -1.359 18824 4217 1 7 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.905 0.009 18824 4218 1 7 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.218 0.501 18824 4219 1 7 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.906 -2.023 18824 4220 1 7 . 1 1 99 99 LEU H H 99 8.494 8.494 8.455 0.039 18824 4221 1 7 . 1 1 100 100 GLN N N 100 118.689 118.689 118.500 0.189 18824 4222 1 7 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.049 -0.085 18824 4223 1 7 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.663 -0.029 18824 4224 1 7 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.008 -0.290 18824 4225 1 7 . 1 1 100 100 GLN H H 100 8.202 8.202 8.579 -0.377 18824 4226 1 7 . 1 1 101 101 LYS N N 101 120.369 120.369 120.299 0.070 18824 4227 1 7 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.127 -0.193 18824 4228 1 7 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.398 0.344 18824 4229 1 7 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.112 -0.251 18824 4230 1 7 . 1 1 101 101 LYS H H 101 7.783 7.783 7.642 0.141 18824 4231 1 7 . 1 1 102 102 LEU N N 102 117.862 117.862 118.272 -0.410 18824 4232 1 7 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.299 -0.142 18824 4233 1 7 . 1 1 102 102 LEU C C 102 177.526 177.526 177.322 0.204 18824 4234 1 7 . 1 1 102 102 LEU CA C 102 55.174 55.174 54.704 0.470 18824 4235 1 7 . 1 1 102 102 LEU CB C 102 42.966 42.966 41.907 1.059 18824 4236 1 7 . 1 1 102 102 LEU H H 102 7.512 7.512 7.630 -0.118 18824 4237 1 7 . 1 1 103 103 GLY N N 103 108.863 108.863 108.218 0.645 18824 4238 1 7 . 1 1 103 103 GLY C C 103 174.353 174.353 174.456 -0.103 18824 4239 1 7 . 1 1 103 103 GLY CA C 103 45.565 45.565 45.090 0.475 18824 4240 1 7 . 1 1 103 103 GLY H H 103 7.851 7.851 7.726 0.125 18824 4241 1 7 . 1 1 104 104 VAL N N 104 120.506 120.506 113.644 6.862 18824 4242 1 7 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.491 -0.639 18824 4243 1 7 . 1 1 104 104 VAL CA C 104 61.751 61.751 60.261 1.490 18824 4244 1 7 . 1 1 104 104 VAL CB C 104 32.824 32.824 33.245 -0.421 18824 4245 1 7 . 1 1 104 104 VAL H H 104 7.726 7.726 7.252 0.474 18824 4246 1 7 . 1 1 105 105 GLN N N 105 124.776 124.776 120.222 4.554 18824 4247 1 7 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.697 -0.590 18824 4248 1 7 . 1 1 105 105 GLN CA C 105 55.170 55.170 54.625 0.545 18824 4249 1 7 . 1 1 105 105 GLN CB C 105 28.783 28.783 28.784 -0.001 18824 4250 1 7 . 1 1 105 105 GLN H H 105 8.245 8.245 8.648 -0.403 18824 4251 1 7 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.772 -0.311 18824 4252 1 7 . 1 1 106 106 VAL C C 106 179.182 179.182 176.785 2.397 18824 4253 1 7 . 1 1 106 106 VAL CA C 106 64.553 64.553 64.312 0.241 18824 4254 1 7 . 1 1 106 106 VAL CB C 106 30.309 30.309 32.032 -1.723 18824 4255 1 7 . 1 1 106 106 VAL H H 106 8.504 8.504 8.488 0.016 18824 4256 1 7 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.039 0.201 18824 4257 1 7 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.349 -0.730 18824 4258 1 7 . 1 1 108 108 GLU CA C 108 59.746 59.746 56.733 3.013 18824 4259 1 7 . 1 1 108 108 GLU CB C 108 29.234 29.234 31.313 -2.079 18824 4260 1 7 . 1 1 108 108 GLU H H 108 8.690 8.690 7.624 1.066 18824 4261 1 7 . 1 1 110 110 LEU HA H 110 4.042 4.042 3.964 0.078 18824 4262 1 7 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.176 -0.816 18824 4263 1 7 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.627 0.493 18824 4264 1 7 . 1 1 111 111 LEU N N 111 116.974 116.974 116.089 0.885 18824 4265 1 7 . 1 1 111 111 LEU HA H 111 4.083 4.083 3.997 0.086 18824 4266 1 7 . 1 1 111 111 LEU C C 111 177.598 177.598 178.398 -0.800 18824 4267 1 7 . 1 1 111 111 LEU CA C 111 55.628 55.628 56.767 -1.139 18824 4268 1 7 . 1 1 111 111 LEU CB C 111 40.977 40.977 40.586 0.391 18824 4269 1 7 . 1 1 111 111 LEU H H 111 7.791 7.791 7.828 -0.037 18824 4270 1 7 . 1 1 112 112 ARG N N 112 119.231 119.231 115.152 4.079 18824 4271 1 7 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.118 0.034 18824 4272 1 7 . 1 1 112 112 ARG C C 112 176.246 176.246 177.246 -1.000 18824 4273 1 7 . 1 1 112 112 ARG CA C 112 56.180 56.180 57.713 -1.533 18824 4274 1 7 . 1 1 112 112 ARG CB C 112 30.340 30.340 30.182 0.158 18824 4275 1 7 . 1 1 112 112 ARG H H 112 7.528 7.528 8.156 -0.628 18824 4276 1 7 . 1 1 113 113 ALA N N 113 123.896 123.896 121.243 2.653 18824 4277 1 7 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.441 -0.302 18824 4278 1 7 . 1 1 113 113 ALA C C 113 177.783 177.783 177.352 0.431 18824 4279 1 7 . 1 1 113 113 ALA CA C 113 52.649 52.649 52.230 0.418 18824 4280 1 7 . 1 1 113 113 ALA CB C 113 18.618 18.618 19.514 -0.896 18824 4281 1 7 . 1 1 113 113 ALA H H 113 7.954 7.954 7.350 0.604 18824 4282 1 7 . 1 1 114 114 GLN N N 114 118.555 118.555 119.173 -0.618 18824 4283 1 7 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.226 -0.067 18824 4284 1 7 . 1 1 114 114 GLN C C 114 175.815 175.815 175.639 0.176 18824 4285 1 7 . 1 1 114 114 GLN CA C 114 55.551 55.551 55.264 0.287 18824 4286 1 7 . 1 1 114 114 GLN CB C 114 29.023 29.023 27.386 1.637 18824 4287 1 7 . 1 1 114 114 GLN H H 114 8.121 8.121 7.489 0.632 18824 4288 1 7 . 1 1 115 115 GLU N N 115 121.589 121.589 123.331 -1.742 18824 4289 1 7 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.260 -0.130 18824 4290 1 7 . 1 1 115 115 GLU C C 115 175.637 175.637 176.153 -0.516 18824 4291 1 7 . 1 1 115 115 GLU CA C 115 55.779 55.779 56.060 -0.281 18824 4292 1 7 . 1 1 115 115 GLU CB C 115 30.038 30.038 30.345 -0.307 18824 4293 1 7 . 1 1 115 115 GLU H H 115 8.164 8.164 8.010 0.154 18824 4294 1 7 . 1 1 116 116 ALA N N 116 126.435 126.435 124.572 1.863 18824 4295 1 7 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.595 -0.136 18824 4296 1 7 . 1 1 116 116 ALA CA C 116 50.094 50.094 50.457 -0.363 18824 4297 1 7 . 1 1 116 116 ALA CB C 116 17.622 17.622 19.232 -1.610 18824 4298 1 7 . 1 1 116 116 ALA H H 116 8.266 8.266 8.319 -0.053 18824 4299 1 7 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.561 -0.257 18824 4300 1 7 . 1 1 117 117 PRO C C 117 177.580 177.580 177.117 0.463 18824 4301 1 7 . 1 1 117 117 PRO CA C 117 62.789 62.789 62.377 0.412 18824 4302 1 7 . 1 1 117 117 PRO CB C 117 31.812 31.812 32.637 -0.825 18824 4303 1 7 . 1 1 118 118 GLY N N 118 109.304 109.304 105.348 3.956 18824 4304 1 7 . 1 1 118 118 GLY C C 118 173.872 173.872 174.167 -0.295 18824 4305 1 7 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.310 -0.296 18824 4306 1 7 . 1 1 118 118 GLY H H 118 8.425 8.425 8.443 -0.018 18824 4307 1 7 . 1 1 119 119 GLN N N 119 120.070 120.070 116.372 3.698 18824 4308 1 7 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.080 0.134 18824 4309 1 7 . 1 1 119 119 GLN C C 119 174.692 174.692 175.379 -0.687 18824 4310 1 7 . 1 1 119 119 GLN CA C 119 55.442 55.442 57.247 -1.805 18824 4311 1 7 . 1 1 119 119 GLN CB C 119 29.308 29.308 26.505 2.804 18824 4312 1 7 . 1 1 119 119 GLN H H 119 8.081 8.081 8.438 -0.357 18824 4313 1 8 . 1 1 5 5 ILE N N 5 119.691 119.691 121.675 -1.984 18824 4314 1 8 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.187 -0.129 18824 4315 1 8 . 1 1 5 5 ILE C C 5 175.649 175.649 175.691 -0.042 18824 4316 1 8 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.367 -0.771 18824 4317 1 8 . 1 1 5 5 ILE CB C 5 38.674 38.674 39.158 -0.484 18824 4318 1 8 . 1 1 5 5 ILE H H 5 8.370 8.370 8.144 0.226 18824 4319 1 8 . 1 1 6 6 ASP N N 6 126.564 126.564 127.945 -1.381 18824 4320 1 8 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.799 -0.109 18824 4321 1 8 . 1 1 6 6 ASP CA C 6 52.261 52.261 52.433 -0.172 18824 4322 1 8 . 1 1 6 6 ASP CB C 6 40.555 40.555 42.314 -1.759 18824 4323 1 8 . 1 1 6 6 ASP H H 6 8.373 8.373 8.448 -0.075 18824 4324 1 8 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.178 -0.018 18824 4325 1 8 . 1 1 7 7 PRO C C 7 176.417 176.417 175.681 0.736 18824 4326 1 8 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.876 -0.825 18824 4327 1 8 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.308 -0.628 18824 4328 1 8 . 1 1 8 8 PHE N N 8 117.858 117.858 114.984 2.874 18824 4329 1 8 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.610 -0.066 18824 4330 1 8 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.933 -0.680 18824 4331 1 8 . 1 1 8 8 PHE CB C 8 38.444 38.444 41.983 -3.539 18824 4332 1 8 . 1 1 8 8 PHE H H 8 7.974 7.974 7.554 0.420 18824 4333 1 8 . 1 1 9 9 THR N N 9 112.459 112.459 118.982 -6.523 18824 4334 1 8 . 1 1 9 9 THR HA H 9 4.338 4.338 4.412 -0.074 18824 4335 1 8 . 1 1 9 9 THR C C 9 175.888 175.888 173.360 2.528 18824 4336 1 8 . 1 1 9 9 THR CA C 9 60.827 60.827 62.289 -1.462 18824 4337 1 8 . 1 1 9 9 THR CB C 9 69.387 69.387 69.736 -0.348 18824 4338 1 8 . 1 1 9 9 THR H H 9 7.927 7.927 8.437 -0.510 18824 4339 1 8 . 1 1 10 10 MET N N 10 121.338 121.338 123.472 -2.134 18824 4340 1 8 . 1 1 10 10 MET HA H 10 4.310 4.310 4.261 0.049 18824 4341 1 8 . 1 1 10 10 MET C C 10 174.386 174.386 174.355 0.031 18824 4342 1 8 . 1 1 10 10 MET CA C 10 52.415 52.415 55.427 -3.012 18824 4343 1 8 . 1 1 10 10 MET H H 10 7.648 7.648 8.592 -0.944 18824 4344 1 8 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.665 0.025 18824 4345 1 8 . 1 1 11 11 LEU CA C 11 52.606 52.606 53.427 -0.821 18824 4346 1 8 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.957 3.122 18824 4347 1 8 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.497 0.120 18824 4348 1 8 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.415 -0.150 18824 4349 1 8 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.757 -0.931 18824 4350 1 8 . 1 1 13 13 ARG N N 13 118.005 118.005 119.434 -1.429 18824 4351 1 8 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.635 -0.251 18824 4352 1 8 . 1 1 13 13 ARG C C 13 173.498 173.498 174.575 -1.077 18824 4353 1 8 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.656 0.019 18824 4354 1 8 . 1 1 13 13 ARG CB C 13 32.565 32.565 33.422 -0.858 18824 4355 1 8 . 1 1 13 13 ARG H H 13 8.484 8.484 7.992 0.492 18824 4356 1 8 . 1 1 14 14 LEU N N 14 124.897 124.897 127.038 -2.141 18824 4357 1 8 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.394 0.474 18824 4358 1 8 . 1 1 14 14 LEU C C 14 176.144 176.144 176.026 0.118 18824 4359 1 8 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.691 -1.645 18824 4360 1 8 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.232 0.725 18824 4361 1 8 . 1 1 14 14 LEU H H 14 8.520 8.520 8.531 -0.011 18824 4362 1 8 . 1 1 15 15 CYS N N 15 127.167 127.167 127.726 -0.559 18824 4363 1 8 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.585 0.006 18824 4364 1 8 . 1 1 15 15 CYS C C 15 173.408 173.408 174.080 -0.672 18824 4365 1 8 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.389 -0.935 18824 4366 1 8 . 1 1 15 15 CYS CB C 15 29.325 29.325 28.143 1.181 18824 4367 1 8 . 1 1 15 15 CYS H H 15 9.247 9.247 9.065 0.182 18824 4368 1 8 . 1 1 16 16 CYS N N 16 125.133 125.133 126.208 -1.075 18824 4369 1 8 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.518 -0.782 18824 4370 1 8 . 1 1 16 16 CYS C C 16 172.784 172.784 174.480 -1.696 18824 4371 1 8 . 1 1 16 16 CYS CA C 16 58.040 58.040 56.162 1.878 18824 4372 1 8 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.162 0.080 18824 4373 1 8 . 1 1 16 16 CYS H H 16 9.049 9.049 8.869 0.180 18824 4374 1 8 . 1 1 17 17 LEU N N 17 124.624 124.624 122.984 1.640 18824 4375 1 8 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.969 -0.317 18824 4376 1 8 . 1 1 17 17 LEU C C 17 175.672 175.672 175.573 0.099 18824 4377 1 8 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.384 1.840 18824 4378 1 8 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.255 -0.214 18824 4379 1 8 . 1 1 17 17 LEU H H 17 8.750 8.750 8.245 0.505 18824 4380 1 8 . 1 1 18 18 GLU N N 18 121.610 121.610 120.077 1.533 18824 4381 1 8 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.710 0.050 18824 4382 1 8 . 1 1 18 18 GLU C C 18 175.548 175.548 175.957 -0.409 18824 4383 1 8 . 1 1 18 18 GLU CA C 18 54.861 54.861 55.252 -0.391 18824 4384 1 8 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.752 -0.440 18824 4385 1 8 . 1 1 18 18 GLU H H 18 8.304 8.304 8.433 -0.129 18824 4386 1 8 . 1 1 19 19 LYS N N 19 123.922 123.922 127.403 -3.481 18824 4387 1 8 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.547 -0.437 18824 4388 1 8 . 1 1 19 19 LYS C C 19 176.635 176.635 176.508 0.127 18824 4389 1 8 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.305 2.183 18824 4390 1 8 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.129 0.196 18824 4391 1 8 . 1 1 19 19 LYS H H 19 8.131 8.131 8.555 -0.424 18824 4392 1 8 . 1 1 20 20 GLY N N 20 112.282 112.282 114.728 -2.446 18824 4393 1 8 . 1 1 20 20 GLY CA C 20 44.045 44.045 44.288 -0.243 18824 4394 1 8 . 1 1 20 20 GLY H H 20 6.955 6.955 8.746 -1.791 18824 4395 1 8 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.383 -0.206 18824 4396 1 8 . 1 1 21 21 PRO C C 21 177.081 177.081 176.084 0.997 18824 4397 1 8 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.634 -0.312 18824 4398 1 8 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.637 -0.056 18824 4399 1 8 . 1 1 22 22 ASN N N 22 114.637 114.637 116.242 -1.605 18824 4400 1 8 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.724 0.195 18824 4401 1 8 . 1 1 22 22 ASN C C 22 175.102 175.102 175.608 -0.506 18824 4402 1 8 . 1 1 22 22 ASN CA C 22 51.618 51.618 51.747 -0.129 18824 4403 1 8 . 1 1 22 22 ASN CB C 22 38.930 38.930 37.595 1.335 18824 4404 1 8 . 1 1 22 22 ASN H H 22 8.462 8.462 7.689 0.773 18824 4405 1 8 . 1 1 23 23 GLY N N 23 107.193 107.193 108.684 -1.491 18824 4406 1 8 . 1 1 23 23 GLY C C 23 174.932 174.932 174.032 0.900 18824 4407 1 8 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.787 -1.361 18824 4408 1 8 . 1 1 23 23 GLY H H 23 7.499 7.499 7.577 -0.078 18824 4409 1 8 . 1 1 24 24 TYR N N 24 119.910 119.910 123.450 -3.540 18824 4410 1 8 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.979 -0.670 18824 4411 1 8 . 1 1 24 24 TYR C C 24 177.188 177.188 176.535 0.653 18824 4412 1 8 . 1 1 24 24 TYR CA C 24 60.745 60.745 57.897 2.848 18824 4413 1 8 . 1 1 24 24 TYR CB C 24 40.447 40.447 40.350 0.097 18824 4414 1 8 . 1 1 24 24 TYR H H 24 8.894 8.894 8.430 0.464 18824 4415 1 8 . 1 1 25 25 GLY N N 25 104.016 104.016 105.364 -1.348 18824 4416 1 8 . 1 1 25 25 GLY C C 25 173.020 173.020 173.259 -0.239 18824 4417 1 8 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.417 0.103 18824 4418 1 8 . 1 1 25 25 GLY H H 25 8.394 8.394 8.485 -0.091 18824 4419 1 8 . 1 1 26 26 PHE N N 26 110.891 110.891 116.571 -5.680 18824 4420 1 8 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.676 -0.037 18824 4421 1 8 . 1 1 26 26 PHE C C 26 172.250 172.250 173.979 -1.729 18824 4422 1 8 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.527 -0.421 18824 4423 1 8 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.732 -0.042 18824 4424 1 8 . 1 1 26 26 PHE H H 26 6.711 6.711 7.613 -0.902 18824 4425 1 8 . 1 1 27 27 HIS N N 27 118.261 118.261 121.316 -3.055 18824 4426 1 8 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.796 -0.012 18824 4427 1 8 . 1 1 27 27 HIS C C 27 174.659 174.659 173.581 1.078 18824 4428 1 8 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.002 -0.445 18824 4429 1 8 . 1 1 27 27 HIS CB C 27 32.844 32.844 32.247 0.597 18824 4430 1 8 . 1 1 27 27 HIS H H 27 7.964 7.964 9.494 -1.530 18824 4431 1 8 . 1 1 28 28 LEU N N 28 125.694 125.694 127.048 -1.354 18824 4432 1 8 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.204 0.281 18824 4433 1 8 . 1 1 28 28 LEU C C 28 176.849 176.849 175.558 1.291 18824 4434 1 8 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.544 0.119 18824 4435 1 8 . 1 1 28 28 LEU CB C 28 45.031 45.031 44.934 0.097 18824 4436 1 8 . 1 1 28 28 LEU H H 28 9.554 9.554 8.876 0.678 18824 4437 1 8 . 1 1 29 29 HIS N N 29 119.263 119.263 122.886 -3.623 18824 4438 1 8 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.089 -0.328 18824 4439 1 8 . 1 1 29 29 HIS C C 29 173.447 173.447 174.185 -0.738 18824 4440 1 8 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.438 2.353 18824 4441 1 8 . 1 1 29 29 HIS CB C 29 32.836 32.836 32.776 0.060 18824 4442 1 8 . 1 1 29 29 HIS H H 29 9.625 9.625 9.459 0.166 18824 4443 1 8 . 1 1 30 30 GLY N N 30 110.254 110.254 111.354 -1.100 18824 4444 1 8 . 1 1 30 30 GLY C C 30 172.917 172.917 173.882 -0.965 18824 4445 1 8 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.286 -0.303 18824 4446 1 8 . 1 1 30 30 GLY H H 30 8.403 8.403 8.678 -0.275 18824 4447 1 8 . 1 1 31 31 GLU N N 31 119.753 119.753 124.458 -4.705 18824 4448 1 8 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.241 0.042 18824 4449 1 8 . 1 1 31 31 GLU C C 31 175.939 175.939 176.566 -0.627 18824 4450 1 8 . 1 1 31 31 GLU CA C 31 54.431 54.431 56.604 -2.173 18824 4451 1 8 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.534 1.809 18824 4452 1 8 . 1 1 31 31 GLU H H 31 9.060 9.060 7.868 1.192 18824 4453 1 8 . 1 1 32 32 LYS N N 32 124.046 124.046 124.983 -0.937 18824 4454 1 8 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.087 -0.173 18824 4455 1 8 . 1 1 32 32 LYS C C 32 177.776 177.776 177.783 -0.007 18824 4456 1 8 . 1 1 32 32 LYS CA C 32 57.714 57.714 57.641 0.073 18824 4457 1 8 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.291 -0.460 18824 4458 1 8 . 1 1 32 32 LYS H H 32 8.424 8.424 8.500 -0.076 18824 4459 1 8 . 1 1 33 33 GLY N N 33 113.177 113.177 114.399 -1.222 18824 4460 1 8 . 1 1 33 33 GLY C C 33 173.408 173.408 174.132 -0.724 18824 4461 1 8 . 1 1 33 33 GLY CA C 33 45.033 45.033 45.124 -0.091 18824 4462 1 8 . 1 1 33 33 GLY H H 33 8.856 8.856 8.790 0.066 18824 4463 1 8 . 1 1 34 34 LYS N N 34 118.719 118.719 120.954 -2.235 18824 4464 1 8 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.376 0.264 18824 4465 1 8 . 1 1 34 34 LYS C C 34 176.528 176.528 176.822 -0.294 18824 4466 1 8 . 1 1 34 34 LYS CA C 34 54.557 54.557 56.060 -1.503 18824 4467 1 8 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.077 1.786 18824 4468 1 8 . 1 1 34 34 LYS H H 34 7.790 7.790 7.531 0.259 18824 4469 1 8 . 1 1 35 35 LEU N N 35 124.084 124.084 116.954 7.130 18824 4470 1 8 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.712 -0.227 18824 4471 1 8 . 1 1 35 35 LEU C C 35 177.646 177.646 176.756 0.890 18824 4472 1 8 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.117 0.544 18824 4473 1 8 . 1 1 35 35 LEU CB C 35 42.676 42.676 41.363 1.313 18824 4474 1 8 . 1 1 35 35 LEU H H 35 8.759 8.759 8.379 0.380 18824 4475 1 8 . 1 1 36 36 GLY N N 36 110.962 110.962 106.869 4.093 18824 4476 1 8 . 1 1 36 36 GLY C C 36 173.070 173.070 172.479 0.591 18824 4477 1 8 . 1 1 36 36 GLY CA C 36 44.526 44.526 43.716 0.810 18824 4478 1 8 . 1 1 36 36 GLY H H 36 8.533 8.533 7.693 0.840 18824 4479 1 8 . 1 1 37 37 GLN N N 37 117.136 117.136 122.997 -5.861 18824 4480 1 8 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.851 -0.362 18824 4481 1 8 . 1 1 37 37 GLN C C 37 173.925 173.925 174.892 -0.967 18824 4482 1 8 . 1 1 37 37 GLN CA C 37 53.806 53.806 54.483 -0.677 18824 4483 1 8 . 1 1 37 37 GLN CB C 37 31.843 31.843 30.998 0.845 18824 4484 1 8 . 1 1 37 37 GLN H H 37 8.885 8.885 8.313 0.572 18824 4485 1 8 . 1 1 38 38 TYR N N 38 119.053 119.053 120.388 -1.335 18824 4486 1 8 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.236 -0.041 18824 4487 1 8 . 1 1 38 38 TYR C C 38 176.110 176.110 175.281 0.829 18824 4488 1 8 . 1 1 38 38 TYR CA C 38 55.230 55.230 55.958 -0.728 18824 4489 1 8 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.468 -0.486 18824 4490 1 8 . 1 1 38 38 TYR H H 38 8.719 8.719 9.148 -0.429 18824 4491 1 8 . 1 1 39 39 ILE N N 39 120.624 120.624 122.504 -1.880 18824 4492 1 8 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.300 -0.050 18824 4493 1 8 . 1 1 39 39 ILE C C 39 175.797 175.797 176.719 -0.922 18824 4494 1 8 . 1 1 39 39 ILE CA C 39 60.231 60.231 61.931 -1.700 18824 4495 1 8 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.431 -1.037 18824 4496 1 8 . 1 1 39 39 ILE H H 39 9.208 9.208 8.720 0.488 18824 4497 1 8 . 1 1 40 40 ARG N N 40 130.372 130.372 129.015 1.357 18824 4498 1 8 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.538 -0.451 18824 4499 1 8 . 1 1 40 40 ARG C C 40 174.846 174.846 175.525 -0.679 18824 4500 1 8 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.685 -0.075 18824 4501 1 8 . 1 1 40 40 ARG CB C 40 31.315 31.315 32.510 -1.195 18824 4502 1 8 . 1 1 40 40 ARG H H 40 9.240 9.240 9.479 -0.239 18824 4503 1 8 . 1 1 41 41 LEU N N 41 116.642 116.642 119.795 -3.153 18824 4504 1 8 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.744 -0.386 18824 4505 1 8 . 1 1 41 41 LEU C C 41 173.658 173.658 173.955 -0.297 18824 4506 1 8 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.276 0.409 18824 4507 1 8 . 1 1 41 41 LEU CB C 41 45.215 45.215 46.550 -1.335 18824 4508 1 8 . 1 1 41 41 LEU H H 41 7.130 7.130 7.968 -0.838 18824 4509 1 8 . 1 1 42 42 VAL N N 42 125.934 125.934 119.365 6.569 18824 4510 1 8 . 1 1 42 42 VAL HA H 42 4.355 4.355 5.037 -0.682 18824 4511 1 8 . 1 1 42 42 VAL C C 42 175.548 175.548 175.445 0.103 18824 4512 1 8 . 1 1 42 42 VAL CA C 42 61.253 61.253 59.880 1.373 18824 4513 1 8 . 1 1 42 42 VAL CB C 42 33.223 33.223 35.441 -2.218 18824 4514 1 8 . 1 1 42 42 VAL H H 42 8.731 8.731 8.400 0.331 18824 4515 1 8 . 1 1 43 43 GLU N N 43 128.285 128.285 126.748 1.537 18824 4516 1 8 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.585 -0.264 18824 4517 1 8 . 1 1 43 43 GLU CA C 43 54.660 54.660 53.676 0.984 18824 4518 1 8 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.112 -0.383 18824 4519 1 8 . 1 1 43 43 GLU H H 43 9.102 9.102 8.864 0.238 18824 4520 1 8 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.158 0.282 18824 4521 1 8 . 1 1 44 44 PRO C C 44 178.222 178.222 176.975 1.247 18824 4522 1 8 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.747 -0.449 18824 4523 1 8 . 1 1 44 44 PRO CB C 44 31.388 31.388 30.702 0.686 18824 4524 1 8 . 1 1 45 45 GLY N N 45 113.166 113.166 113.110 0.056 18824 4525 1 8 . 1 1 45 45 GLY C C 45 173.515 173.515 174.166 -0.651 18824 4526 1 8 . 1 1 45 45 GLY CA C 45 45.525 45.525 44.859 0.666 18824 4527 1 8 . 1 1 45 45 GLY H H 45 9.416 9.416 9.604 -0.188 18824 4528 1 8 . 1 1 46 46 SER N N 46 114.219 114.219 117.028 -2.809 18824 4529 1 8 . 1 1 46 46 SER HA H 46 4.670 4.670 5.025 -0.355 18824 4530 1 8 . 1 1 46 46 SER CA C 46 57.103 57.103 55.520 1.583 18824 4531 1 8 . 1 1 46 46 SER CB C 46 64.458 64.458 63.622 0.836 18824 4532 1 8 . 1 1 46 46 SER H H 46 7.422 7.422 8.851 -1.429 18824 4533 1 8 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.285 0.002 18824 4534 1 8 . 1 1 47 47 PRO C C 47 179.487 179.487 177.509 1.978 18824 4535 1 8 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.931 0.406 18824 4536 1 8 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.632 0.707 18824 4537 1 8 . 1 1 48 48 ALA N N 48 116.941 116.941 122.658 -5.717 18824 4538 1 8 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.930 -0.122 18824 4539 1 8 . 1 1 48 48 ALA C C 48 177.063 177.063 179.475 -2.412 18824 4540 1 8 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.640 -0.530 18824 4541 1 8 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.189 1.985 18824 4542 1 8 . 1 1 48 48 ALA H H 48 7.855 7.855 7.750 0.105 18824 4543 1 8 . 1 1 49 49 GLU N N 49 120.064 120.064 118.103 1.961 18824 4544 1 8 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.283 -0.429 18824 4545 1 8 . 1 1 49 49 GLU C C 49 181.038 181.038 178.864 2.174 18824 4546 1 8 . 1 1 49 49 GLU CA C 49 59.181 59.181 59.437 -0.256 18824 4547 1 8 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.268 0.402 18824 4548 1 8 . 1 1 49 49 GLU H H 49 7.732 7.732 8.153 -0.421 18824 4549 1 8 . 1 1 50 50 LYS N N 50 120.570 120.570 118.902 1.668 18824 4550 1 8 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.075 -0.151 18824 4551 1 8 . 1 1 50 50 LYS C C 50 177.580 177.580 178.557 -0.977 18824 4552 1 8 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.658 0.122 18824 4553 1 8 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.269 -0.465 18824 4554 1 8 . 1 1 50 50 LYS H H 50 8.156 8.156 7.548 0.608 18824 4555 1 8 . 1 1 51 51 ALA N N 51 117.482 117.482 118.285 -0.803 18824 4556 1 8 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.243 0.065 18824 4557 1 8 . 1 1 51 51 ALA C C 51 177.509 177.509 176.711 0.798 18824 4558 1 8 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.255 -0.137 18824 4559 1 8 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.617 0.578 18824 4560 1 8 . 1 1 51 51 ALA H H 51 7.730 7.730 7.882 -0.152 18824 4561 1 8 . 1 1 52 52 GLY N N 52 103.549 103.549 104.945 -1.396 18824 4562 1 8 . 1 1 52 52 GLY C C 52 174.888 174.888 173.978 0.910 18824 4563 1 8 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.647 0.376 18824 4564 1 8 . 1 1 52 52 GLY H H 52 7.513 7.513 7.500 0.013 18824 4565 1 8 . 1 1 53 53 LEU N N 53 120.806 120.806 122.528 -1.722 18824 4566 1 8 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.627 -0.771 18824 4567 1 8 . 1 1 53 53 LEU C C 53 174.692 174.692 175.241 -0.549 18824 4568 1 8 . 1 1 53 53 LEU CA C 53 55.190 55.190 54.708 0.482 18824 4569 1 8 . 1 1 53 53 LEU CB C 53 42.994 42.994 43.930 -0.936 18824 4570 1 8 . 1 1 53 53 LEU H H 53 7.420 7.420 7.941 -0.521 18824 4571 1 8 . 1 1 54 54 LEU N N 54 122.726 122.726 124.826 -2.100 18824 4572 1 8 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.838 -0.333 18824 4573 1 8 . 1 1 54 54 LEU C C 54 176.350 176.350 174.955 1.395 18824 4574 1 8 . 1 1 54 54 LEU CA C 54 52.981 52.981 53.700 -0.720 18824 4575 1 8 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.785 -1.221 18824 4576 1 8 . 1 1 54 54 LEU H H 54 8.546 8.546 8.281 0.265 18824 4577 1 8 . 1 1 55 55 ALA N N 55 122.735 122.735 127.814 -5.079 18824 4578 1 8 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.200 -0.469 18824 4579 1 8 . 1 1 55 55 ALA C C 55 179.077 179.077 177.605 1.472 18824 4580 1 8 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.627 -0.627 18824 4581 1 8 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.652 -0.584 18824 4582 1 8 . 1 1 55 55 ALA H H 55 8.551 8.551 8.735 -0.184 18824 4583 1 8 . 1 1 56 56 GLY N N 56 112.553 112.553 113.399 -0.846 18824 4584 1 8 . 1 1 56 56 GLY C C 56 174.638 174.638 174.505 0.133 18824 4585 1 8 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.087 -0.606 18824 4586 1 8 . 1 1 56 56 GLY H H 56 9.450 9.450 8.449 1.001 18824 4587 1 8 . 1 1 57 57 ASP N N 57 121.912 121.912 123.527 -1.615 18824 4588 1 8 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.714 -0.167 18824 4589 1 8 . 1 1 57 57 ASP C C 57 174.539 174.539 174.671 -0.132 18824 4590 1 8 . 1 1 57 57 ASP CA C 57 55.157 55.157 55.372 -0.215 18824 4591 1 8 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.621 -0.137 18824 4592 1 8 . 1 1 57 57 ASP H H 57 7.948 7.948 8.144 -0.196 18824 4593 1 8 . 1 1 58 58 ARG N N 58 122.512 122.512 123.708 -1.196 18824 4594 1 8 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.685 -0.704 18824 4595 1 8 . 1 1 58 58 ARG C C 58 175.512 175.512 175.389 0.123 18824 4596 1 8 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.637 -0.468 18824 4597 1 8 . 1 1 58 58 ARG CB C 58 32.435 32.435 32.203 0.232 18824 4598 1 8 . 1 1 58 58 ARG H H 58 8.570 8.570 8.627 -0.057 18824 4599 1 8 . 1 1 59 59 LEU N N 59 126.506 126.506 127.091 -0.585 18824 4600 1 8 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.314 -0.255 18824 4601 1 8 . 1 1 59 59 LEU C C 59 174.420 174.420 175.412 -0.992 18824 4602 1 8 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.814 -0.635 18824 4603 1 8 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.532 -0.057 18824 4604 1 8 . 1 1 59 59 LEU H H 59 7.917 7.917 8.689 -0.772 18824 4605 1 8 . 1 1 60 60 VAL N N 60 124.914 124.914 124.312 0.602 18824 4606 1 8 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.079 -0.169 18824 4607 1 8 . 1 1 60 60 VAL CA C 60 63.788 63.788 64.353 -0.565 18824 4608 1 8 . 1 1 60 60 VAL CB C 60 32.805 32.805 33.353 -0.548 18824 4609 1 8 . 1 1 60 60 VAL H H 60 8.781 8.781 9.158 -0.377 18824 4610 1 8 . 1 1 61 61 GLU N N 61 112.868 112.868 118.778 -5.910 18824 4611 1 8 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.108 0.104 18824 4612 1 8 . 1 1 61 61 GLU C C 61 175.717 175.717 174.158 1.559 18824 4613 1 8 . 1 1 61 61 GLU CA C 61 54.186 54.186 55.059 -0.873 18824 4614 1 8 . 1 1 61 61 GLU CB C 61 34.458 34.458 34.036 0.422 18824 4615 1 8 . 1 1 61 61 GLU H H 61 7.332 7.332 7.833 -0.501 18824 4616 1 8 . 1 1 62 62 VAL N N 62 118.357 118.357 123.989 -5.632 18824 4617 1 8 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.737 -0.415 18824 4618 1 8 . 1 1 62 62 VAL C C 62 175.495 175.495 175.921 -0.426 18824 4619 1 8 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.287 0.463 18824 4620 1 8 . 1 1 62 62 VAL CB C 62 33.376 33.376 33.118 0.258 18824 4621 1 8 . 1 1 62 62 VAL H H 62 8.342 8.342 8.967 -0.625 18824 4622 1 8 . 1 1 63 63 ASN N N 63 129.063 129.063 128.124 0.939 18824 4623 1 8 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.318 -0.139 18824 4624 1 8 . 1 1 63 63 ASN C C 63 175.051 175.051 175.562 -0.511 18824 4625 1 8 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.067 -0.423 18824 4626 1 8 . 1 1 63 63 ASN CB C 63 36.328 36.328 37.673 -1.345 18824 4627 1 8 . 1 1 63 63 ASN H H 63 9.830 9.830 9.419 0.411 18824 4628 1 8 . 1 1 64 64 GLY N N 64 103.346 103.346 104.122 -0.776 18824 4629 1 8 . 1 1 64 64 GLY C C 64 173.276 173.276 173.301 -0.025 18824 4630 1 8 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.120 -0.076 18824 4631 1 8 . 1 1 64 64 GLY H H 64 9.222 9.222 8.898 0.324 18824 4632 1 8 . 1 1 65 65 GLU N N 65 119.230 119.230 120.399 -1.169 18824 4633 1 8 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.516 -0.027 18824 4634 1 8 . 1 1 65 65 GLU C C 65 174.745 174.745 174.936 -0.191 18824 4635 1 8 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.544 0.147 18824 4636 1 8 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.013 -1.211 18824 4637 1 8 . 1 1 65 65 GLU H H 65 7.553 7.553 7.518 0.035 18824 4638 1 8 . 1 1 66 66 ASN N N 66 123.478 123.478 125.290 -1.812 18824 4639 1 8 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.665 0.023 18824 4640 1 8 . 1 1 66 66 ASN C C 66 176.144 176.144 175.325 0.819 18824 4641 1 8 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.363 0.861 18824 4642 1 8 . 1 1 66 66 ASN CB C 66 39.589 39.589 39.107 0.482 18824 4643 1 8 . 1 1 66 66 ASN H H 66 8.865 8.865 8.945 -0.080 18824 4644 1 8 . 1 1 67 67 VAL N N 67 117.695 117.695 119.592 -1.897 18824 4645 1 8 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.723 -0.220 18824 4646 1 8 . 1 1 67 67 VAL C C 67 177.475 177.475 176.686 0.789 18824 4647 1 8 . 1 1 67 67 VAL CA C 67 59.756 59.756 60.880 -1.124 18824 4648 1 8 . 1 1 67 67 VAL CB C 67 31.321 31.321 31.633 -0.312 18824 4649 1 8 . 1 1 67 67 VAL H H 67 8.210 8.210 8.952 -0.742 18824 4650 1 8 . 1 1 68 68 GLU N N 68 122.899 122.899 122.450 0.449 18824 4651 1 8 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.150 -0.229 18824 4652 1 8 . 1 1 68 68 GLU C C 68 177.348 177.348 177.203 0.145 18824 4653 1 8 . 1 1 68 68 GLU CA C 68 59.762 59.762 59.641 0.121 18824 4654 1 8 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.879 1.331 18824 4655 1 8 . 1 1 68 68 GLU H H 68 8.427 8.427 8.039 0.388 18824 4656 1 8 . 1 1 69 69 LYS N N 69 113.848 113.848 114.423 -0.575 18824 4657 1 8 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.543 -0.129 18824 4658 1 8 . 1 1 69 69 LYS C C 69 176.510 176.510 175.906 0.604 18824 4659 1 8 . 1 1 69 69 LYS CA C 69 54.675 54.675 55.503 -0.828 18824 4660 1 8 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.769 -1.007 18824 4661 1 8 . 1 1 69 69 LYS H H 69 8.576 8.576 8.176 0.400 18824 4662 1 8 . 1 1 70 70 GLU N N 70 119.980 119.980 120.338 -0.358 18824 4663 1 8 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.569 -0.208 18824 4664 1 8 . 1 1 70 70 GLU C C 70 176.831 176.831 175.292 1.539 18824 4665 1 8 . 1 1 70 70 GLU CA C 70 56.329 56.329 55.081 1.248 18824 4666 1 8 . 1 1 70 70 GLU CB C 70 31.293 31.293 30.747 0.546 18824 4667 1 8 . 1 1 70 70 GLU H H 70 6.994 6.994 7.469 -0.475 18824 4668 1 8 . 1 1 71 71 THR N N 71 110.696 110.696 107.639 3.057 18824 4669 1 8 . 1 1 71 71 THR HA H 71 4.270 4.270 4.622 -0.352 18824 4670 1 8 . 1 1 71 71 THR C C 71 174.812 174.812 175.197 -0.385 18824 4671 1 8 . 1 1 71 71 THR CA C 71 60.267 60.267 59.217 1.050 18824 4672 1 8 . 1 1 71 71 THR CB C 71 71.497 71.497 71.982 -0.485 18824 4673 1 8 . 1 1 71 71 THR H H 71 8.675 8.675 8.020 0.655 18824 4674 1 8 . 1 1 72 72 HIS N N 72 118.876 118.876 121.062 -2.186 18824 4675 1 8 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.148 -0.564 18824 4676 1 8 . 1 1 72 72 HIS C C 72 175.802 175.802 177.343 -1.541 18824 4677 1 8 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.066 -0.349 18824 4678 1 8 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.826 -1.542 18824 4679 1 8 . 1 1 72 72 HIS H H 72 9.171 9.171 8.883 0.288 18824 4680 1 8 . 1 1 73 73 GLN N N 73 115.563 115.563 117.767 -2.204 18824 4681 1 8 . 1 1 73 73 GLN HA H 73 3.769 3.769 3.972 -0.203 18824 4682 1 8 . 1 1 73 73 GLN C C 73 179.060 179.060 178.365 0.695 18824 4683 1 8 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.290 -0.547 18824 4684 1 8 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.260 -0.467 18824 4685 1 8 . 1 1 73 73 GLN H H 73 8.666 8.666 8.686 -0.020 18824 4686 1 8 . 1 1 74 74 GLN N N 74 119.687 119.687 119.469 0.218 18824 4687 1 8 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.058 -0.221 18824 4688 1 8 . 1 1 74 74 GLN C C 74 179.309 179.309 178.698 0.611 18824 4689 1 8 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.461 0.262 18824 4690 1 8 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.303 0.451 18824 4691 1 8 . 1 1 74 74 GLN H H 74 7.614 7.614 7.760 -0.146 18824 4692 1 8 . 1 1 75 75 VAL N N 75 120.633 120.633 119.585 1.048 18824 4693 1 8 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.623 -0.299 18824 4694 1 8 . 1 1 75 75 VAL C C 75 178.031 178.031 177.859 0.172 18824 4695 1 8 . 1 1 75 75 VAL CA C 75 67.423 67.423 66.256 1.167 18824 4696 1 8 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.766 -0.697 18824 4697 1 8 . 1 1 75 75 VAL H H 75 8.289 8.289 8.070 0.219 18824 4698 1 8 . 1 1 76 76 VAL N N 76 118.966 118.966 120.161 -1.195 18824 4699 1 8 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.433 -0.105 18824 4700 1 8 . 1 1 76 76 VAL C C 76 178.739 178.739 177.817 0.922 18824 4701 1 8 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.994 -0.135 18824 4702 1 8 . 1 1 76 76 VAL CB C 76 30.847 30.847 31.134 -0.287 18824 4703 1 8 . 1 1 76 76 VAL H H 76 8.364 8.364 8.001 0.363 18824 4704 1 8 . 1 1 77 77 SER N N 77 115.158 115.158 114.279 0.879 18824 4705 1 8 . 1 1 77 77 SER HA H 77 3.994 3.994 4.092 -0.098 18824 4706 1 8 . 1 1 77 77 SER C C 77 176.849 176.849 176.649 0.200 18824 4707 1 8 . 1 1 77 77 SER CA C 77 62.162 62.162 61.749 0.413 18824 4708 1 8 . 1 1 77 77 SER CB C 77 62.232 62.232 63.028 -0.796 18824 4709 1 8 . 1 1 77 77 SER H H 77 7.871 7.871 8.021 -0.150 18824 4710 1 8 . 1 1 78 78 ARG N N 78 121.310 121.310 120.553 0.757 18824 4711 1 8 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.072 -0.150 18824 4712 1 8 . 1 1 78 78 ARG C C 78 179.309 179.309 178.757 0.552 18824 4713 1 8 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.852 -0.103 18824 4714 1 8 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.092 0.187 18824 4715 1 8 . 1 1 78 78 ARG H H 78 7.469 7.469 7.447 0.022 18824 4716 1 8 . 1 1 79 79 ILE N N 79 119.383 119.383 119.918 -0.535 18824 4717 1 8 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.710 -0.307 18824 4718 1 8 . 1 1 79 79 ILE C C 79 178.364 178.364 178.842 -0.478 18824 4719 1 8 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.568 -0.278 18824 4720 1 8 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.670 -0.446 18824 4721 1 8 . 1 1 79 79 ILE H H 79 7.759 7.759 8.105 -0.346 18824 4722 1 8 . 1 1 80 80 ARG N N 80 119.497 119.497 119.274 0.223 18824 4723 1 8 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.181 -0.203 18824 4724 1 8 . 1 1 80 80 ARG C C 80 177.544 177.544 177.304 0.240 18824 4725 1 8 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.620 1.110 18824 4726 1 8 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.380 0.449 18824 4727 1 8 . 1 1 80 80 ARG H H 80 8.407 8.407 7.942 0.465 18824 4728 1 8 . 1 1 81 81 ALA N N 81 118.814 118.814 119.315 -0.501 18824 4729 1 8 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.334 -0.273 18824 4730 1 8 . 1 1 81 81 ALA C C 81 177.473 177.473 177.374 0.099 18824 4731 1 8 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.271 0.535 18824 4732 1 8 . 1 1 81 81 ALA CB C 81 18.604 18.604 18.962 -0.358 18824 4733 1 8 . 1 1 81 81 ALA H H 81 7.392 7.392 7.389 0.003 18824 4734 1 8 . 1 1 82 82 ALA N N 82 121.771 121.771 121.167 0.604 18824 4735 1 8 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.193 0.117 18824 4736 1 8 . 1 1 82 82 ALA C C 82 177.384 177.384 177.215 0.169 18824 4737 1 8 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.412 -0.808 18824 4738 1 8 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.396 -1.805 18824 4739 1 8 . 1 1 82 82 ALA H H 82 7.182 7.182 7.191 -0.009 18824 4740 1 8 . 1 1 83 83 LEU N N 83 122.357 122.357 124.484 -2.127 18824 4741 1 8 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.240 -0.249 18824 4742 1 8 . 1 1 83 83 LEU C C 83 177.366 177.366 178.471 -1.105 18824 4743 1 8 . 1 1 83 83 LEU CA C 83 56.977 56.977 56.876 0.101 18824 4744 1 8 . 1 1 83 83 LEU CB C 83 40.986 40.986 41.517 -0.531 18824 4745 1 8 . 1 1 83 83 LEU H H 83 8.171 8.171 8.713 -0.542 18824 4746 1 8 . 1 1 84 84 ASN N N 84 114.897 114.897 114.436 0.461 18824 4747 1 8 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.719 -0.101 18824 4748 1 8 . 1 1 84 84 ASN C C 84 173.651 173.651 174.234 -0.583 18824 4749 1 8 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.302 0.892 18824 4750 1 8 . 1 1 84 84 ASN CB C 84 39.903 39.903 39.613 0.290 18824 4751 1 8 . 1 1 84 84 ASN H H 84 8.565 8.565 8.322 0.243 18824 4752 1 8 . 1 1 85 85 ALA N N 85 124.026 124.026 120.573 3.453 18824 4753 1 8 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.162 -0.091 18824 4754 1 8 . 1 1 85 85 ALA C C 85 175.751 175.751 174.861 0.890 18824 4755 1 8 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.442 0.668 18824 4756 1 8 . 1 1 85 85 ALA CB C 85 21.156 21.156 21.990 -0.834 18824 4757 1 8 . 1 1 85 85 ALA H H 85 7.808 7.808 7.432 0.376 18824 4758 1 8 . 1 1 86 86 VAL N N 86 116.130 116.130 119.406 -3.276 18824 4759 1 8 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.364 0.228 18824 4760 1 8 . 1 1 86 86 VAL C C 86 171.876 171.876 174.159 -2.283 18824 4761 1 8 . 1 1 86 86 VAL CA C 86 59.748 59.748 60.127 -0.379 18824 4762 1 8 . 1 1 86 86 VAL CB C 86 34.893 34.893 35.978 -1.085 18824 4763 1 8 . 1 1 86 86 VAL H H 86 8.432 8.432 8.948 -0.516 18824 4764 1 8 . 1 1 87 87 ARG N N 87 124.913 124.913 126.973 -2.060 18824 4765 1 8 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.664 0.334 18824 4766 1 8 . 1 1 87 87 ARG C C 87 175.316 175.316 175.166 0.150 18824 4767 1 8 . 1 1 87 87 ARG CA C 87 53.991 53.991 55.361 -1.370 18824 4768 1 8 . 1 1 87 87 ARG CB C 87 31.805 31.805 30.791 1.014 18824 4769 1 8 . 1 1 87 87 ARG H H 87 8.255 8.255 8.621 -0.366 18824 4770 1 8 . 1 1 88 88 LEU N N 88 125.141 125.141 125.839 -0.698 18824 4771 1 8 . 1 1 88 88 LEU HA H 88 4.950 4.950 5.004 -0.054 18824 4772 1 8 . 1 1 88 88 LEU C C 88 173.836 173.836 175.080 -1.244 18824 4773 1 8 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.454 -1.073 18824 4774 1 8 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.337 -0.385 18824 4775 1 8 . 1 1 88 88 LEU H H 88 9.041 9.041 9.096 -0.055 18824 4776 1 8 . 1 1 89 89 LEU N N 89 126.927 126.927 128.541 -1.614 18824 4777 1 8 . 1 1 89 89 LEU HA H 89 5.177 5.177 5.060 0.117 18824 4778 1 8 . 1 1 89 89 LEU C C 89 175.726 175.726 174.852 0.874 18824 4779 1 8 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.754 -0.045 18824 4780 1 8 . 1 1 89 89 LEU CB C 89 43.514 43.514 44.113 -0.599 18824 4781 1 8 . 1 1 89 89 LEU H H 89 8.484 8.484 8.812 -0.328 18824 4782 1 8 . 1 1 90 90 VAL N N 90 119.770 119.770 123.367 -3.597 18824 4783 1 8 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.377 0.061 18824 4784 1 8 . 1 1 90 90 VAL C C 90 174.157 174.157 173.352 0.805 18824 4785 1 8 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.757 -0.786 18824 4786 1 8 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.726 1.130 18824 4787 1 8 . 1 1 90 90 VAL H H 90 9.001 9.001 8.173 0.828 18824 4788 1 8 . 1 1 91 91 VAL N N 91 112.698 112.698 120.139 -7.441 18824 4789 1 8 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.481 0.228 18824 4790 1 8 . 1 1 91 91 VAL C C 91 173.993 173.993 173.540 0.453 18824 4791 1 8 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.902 -0.919 18824 4792 1 8 . 1 1 91 91 VAL CB C 91 35.466 35.466 36.370 -0.904 18824 4793 1 8 . 1 1 91 91 VAL H H 91 8.011 8.011 8.645 -0.634 18824 4794 1 8 . 1 1 92 92 ASP N N 92 127.066 127.066 126.478 0.588 18824 4795 1 8 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.903 0.103 18824 4796 1 8 . 1 1 92 92 ASP CA C 92 53.078 53.078 52.427 0.651 18824 4797 1 8 . 1 1 92 92 ASP CB C 92 39.764 39.764 40.721 -0.957 18824 4798 1 8 . 1 1 92 92 ASP H H 92 7.878 7.878 8.655 -0.777 18824 4799 1 8 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.203 0.200 18824 4800 1 8 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.708 0.156 18824 4801 1 8 . 1 1 93 93 PRO CB C 93 32.221 32.221 32.040 0.181 18824 4802 1 8 . 1 1 94 94 GLU N N 94 119.504 119.504 117.804 1.700 18824 4803 1 8 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.064 -0.014 18824 4804 1 8 . 1 1 94 94 GLU C C 94 179.182 179.182 178.873 0.309 18824 4805 1 8 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.489 -0.271 18824 4806 1 8 . 1 1 94 94 GLU CB C 94 28.950 28.950 29.190 -0.240 18824 4807 1 8 . 1 1 94 94 GLU H H 94 8.156 8.156 8.173 -0.017 18824 4808 1 8 . 1 1 95 95 THR N N 95 120.651 120.651 116.211 4.440 18824 4809 1 8 . 1 1 95 95 THR HA H 95 3.751 3.751 4.040 -0.289 18824 4810 1 8 . 1 1 95 95 THR C C 95 175.888 175.888 176.084 -0.196 18824 4811 1 8 . 1 1 95 95 THR CA C 95 65.764 65.764 66.951 -1.187 18824 4812 1 8 . 1 1 95 95 THR CB C 95 67.338 67.338 68.678 -1.340 18824 4813 1 8 . 1 1 95 95 THR H H 95 8.315 8.315 8.311 0.004 18824 4814 1 8 . 1 1 96 96 ASP N N 96 120.554 120.554 122.012 -1.458 18824 4815 1 8 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.319 -0.086 18824 4816 1 8 . 1 1 96 96 ASP C C 96 178.275 178.275 178.135 0.140 18824 4817 1 8 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.751 -1.530 18824 4818 1 8 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.965 0.073 18824 4819 1 8 . 1 1 96 96 ASP H H 96 8.381 8.381 8.483 -0.102 18824 4820 1 8 . 1 1 97 97 GLU N N 97 117.457 117.457 119.008 -1.551 18824 4821 1 8 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.968 -0.103 18824 4822 1 8 . 1 1 97 97 GLU C C 97 178.790 178.790 179.357 -0.567 18824 4823 1 8 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.397 -0.188 18824 4824 1 8 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.640 -0.594 18824 4825 1 8 . 1 1 97 97 GLU H H 97 7.727 7.727 8.093 -0.366 18824 4826 1 8 . 1 1 98 98 GLN N N 98 118.704 118.704 119.614 -0.910 18824 4827 1 8 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.119 -0.145 18824 4828 1 8 . 1 1 98 98 GLN C C 98 178.756 178.756 178.324 0.432 18824 4829 1 8 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.543 -0.303 18824 4830 1 8 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.436 -0.505 18824 4831 1 8 . 1 1 98 98 GLN H H 98 7.733 7.733 7.614 0.119 18824 4832 1 8 . 1 1 99 99 LEU N N 99 119.242 119.242 120.888 -1.646 18824 4833 1 8 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.814 0.100 18824 4834 1 8 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.452 0.267 18824 4835 1 8 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.584 -1.702 18824 4836 1 8 . 1 1 99 99 LEU H H 99 8.494 8.494 8.557 -0.063 18824 4837 1 8 . 1 1 100 100 GLN N N 100 118.689 118.689 117.769 0.920 18824 4838 1 8 . 1 1 100 100 GLN HA H 100 3.964 3.964 3.972 -0.008 18824 4839 1 8 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.767 -0.133 18824 4840 1 8 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.102 -0.384 18824 4841 1 8 . 1 1 100 100 GLN H H 100 8.202 8.202 8.503 -0.301 18824 4842 1 8 . 1 1 101 101 LYS N N 101 120.369 120.369 119.516 0.853 18824 4843 1 8 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.114 -0.180 18824 4844 1 8 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.243 0.499 18824 4845 1 8 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.281 -0.420 18824 4846 1 8 . 1 1 101 101 LYS H H 101 7.783 7.783 7.472 0.311 18824 4847 1 8 . 1 1 102 102 LEU N N 102 117.862 117.862 118.230 -0.368 18824 4848 1 8 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.276 -0.119 18824 4849 1 8 . 1 1 102 102 LEU C C 102 177.526 177.526 177.629 -0.103 18824 4850 1 8 . 1 1 102 102 LEU CA C 102 55.174 55.174 55.844 -0.670 18824 4851 1 8 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.988 -0.022 18824 4852 1 8 . 1 1 102 102 LEU H H 102 7.512 7.512 7.373 0.139 18824 4853 1 8 . 1 1 103 103 GLY N N 103 108.863 108.863 105.907 2.956 18824 4854 1 8 . 1 1 103 103 GLY C C 103 174.353 174.353 172.518 1.835 18824 4855 1 8 . 1 1 103 103 GLY CA C 103 45.565 45.565 44.857 0.708 18824 4856 1 8 . 1 1 103 103 GLY H H 103 7.851 7.851 8.056 -0.205 18824 4857 1 8 . 1 1 104 104 VAL N N 104 120.506 120.506 123.004 -2.498 18824 4858 1 8 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.035 -0.183 18824 4859 1 8 . 1 1 104 104 VAL CA C 104 61.751 61.751 61.919 -0.168 18824 4860 1 8 . 1 1 104 104 VAL CB C 104 32.824 32.824 31.655 1.169 18824 4861 1 8 . 1 1 104 104 VAL H H 104 7.726 7.726 8.803 -1.077 18824 4862 1 8 . 1 1 105 105 GLN N N 105 124.776 124.776 126.548 -1.772 18824 4863 1 8 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.839 -0.732 18824 4864 1 8 . 1 1 105 105 GLN CA C 105 55.170 55.170 55.341 -0.171 18824 4865 1 8 . 1 1 105 105 GLN CB C 105 28.783 28.783 29.182 -0.399 18824 4866 1 8 . 1 1 105 105 GLN H H 105 8.245 8.245 8.424 -0.179 18824 4867 1 8 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.865 -0.404 18824 4868 1 8 . 1 1 106 106 VAL C C 106 179.182 179.182 176.619 2.563 18824 4869 1 8 . 1 1 106 106 VAL CA C 106 64.553 64.553 65.069 -0.515 18824 4870 1 8 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.608 -1.299 18824 4871 1 8 . 1 1 106 106 VAL H H 106 8.504 8.504 8.207 0.297 18824 4872 1 8 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.051 0.189 18824 4873 1 8 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.339 -0.720 18824 4874 1 8 . 1 1 108 108 GLU CA C 108 59.746 59.746 57.005 2.741 18824 4875 1 8 . 1 1 108 108 GLU CB C 108 29.234 29.234 30.616 -1.382 18824 4876 1 8 . 1 1 108 108 GLU H H 108 8.690 8.690 7.836 0.854 18824 4877 1 8 . 1 1 110 110 LEU HA H 110 4.042 4.042 3.945 0.097 18824 4878 1 8 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.458 -1.098 18824 4879 1 8 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.880 0.240 18824 4880 1 8 . 1 1 111 111 LEU N N 111 116.974 116.974 113.738 3.236 18824 4881 1 8 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.051 0.032 18824 4882 1 8 . 1 1 111 111 LEU C C 111 177.598 177.598 178.036 -0.438 18824 4883 1 8 . 1 1 111 111 LEU CA C 111 55.628 55.628 56.870 -1.242 18824 4884 1 8 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.279 -0.302 18824 4885 1 8 . 1 1 111 111 LEU H H 111 7.791 7.791 7.220 0.571 18824 4886 1 8 . 1 1 112 112 ARG N N 112 119.231 119.231 117.992 1.239 18824 4887 1 8 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.130 0.022 18824 4888 1 8 . 1 1 112 112 ARG C C 112 176.246 176.246 176.740 -0.494 18824 4889 1 8 . 1 1 112 112 ARG CA C 112 56.180 56.180 58.022 -1.842 18824 4890 1 8 . 1 1 112 112 ARG CB C 112 30.340 30.340 30.657 -0.317 18824 4891 1 8 . 1 1 112 112 ARG H H 112 7.528 7.528 7.339 0.189 18824 4892 1 8 . 1 1 113 113 ALA N N 113 123.896 123.896 121.534 2.362 18824 4893 1 8 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.741 -0.602 18824 4894 1 8 . 1 1 113 113 ALA C C 113 177.783 177.783 176.352 1.431 18824 4895 1 8 . 1 1 113 113 ALA CA C 113 52.649 52.649 50.347 2.302 18824 4896 1 8 . 1 1 113 113 ALA CB C 113 18.618 18.618 19.627 -1.009 18824 4897 1 8 . 1 1 113 113 ALA H H 113 7.954 7.954 7.388 0.566 18824 4898 1 8 . 1 1 114 114 GLN N N 114 118.555 118.555 121.754 -3.199 18824 4899 1 8 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.218 -0.059 18824 4900 1 8 . 1 1 114 114 GLN C C 114 175.815 175.815 176.144 -0.329 18824 4901 1 8 . 1 1 114 114 GLN CA C 114 55.551 55.551 56.238 -0.687 18824 4902 1 8 . 1 1 114 114 GLN CB C 114 29.023 29.023 28.581 0.442 18824 4903 1 8 . 1 1 114 114 GLN H H 114 8.121 8.121 8.849 -0.728 18824 4904 1 8 . 1 1 115 115 GLU N N 115 121.589 121.589 120.169 1.420 18824 4905 1 8 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.291 -0.161 18824 4906 1 8 . 1 1 115 115 GLU C C 115 175.637 175.637 176.072 -0.435 18824 4907 1 8 . 1 1 115 115 GLU CA C 115 55.779 55.779 56.963 -1.184 18824 4908 1 8 . 1 1 115 115 GLU CB C 115 30.038 30.038 29.892 0.146 18824 4909 1 8 . 1 1 115 115 GLU H H 115 8.164 8.164 8.008 0.156 18824 4910 1 8 . 1 1 116 116 ALA N N 116 126.435 126.435 124.454 1.981 18824 4911 1 8 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.591 -0.132 18824 4912 1 8 . 1 1 116 116 ALA CA C 116 50.094 50.094 50.465 -0.371 18824 4913 1 8 . 1 1 116 116 ALA CB C 116 17.622 17.622 19.772 -2.150 18824 4914 1 8 . 1 1 116 116 ALA H H 116 8.266 8.266 7.856 0.410 18824 4915 1 8 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.449 -0.145 18824 4916 1 8 . 1 1 117 117 PRO C C 117 177.580 177.580 176.881 0.699 18824 4917 1 8 . 1 1 117 117 PRO CA C 117 62.789 62.789 63.188 -0.399 18824 4918 1 8 . 1 1 117 117 PRO CB C 117 31.812 31.812 32.213 -0.401 18824 4919 1 8 . 1 1 118 118 GLY N N 118 109.304 109.304 109.481 -0.177 18824 4920 1 8 . 1 1 118 118 GLY C C 118 173.872 173.872 174.858 -0.986 18824 4921 1 8 . 1 1 118 118 GLY CA C 118 45.014 45.014 44.492 0.522 18824 4922 1 8 . 1 1 118 118 GLY H H 118 8.425 8.425 8.142 0.283 18824 4923 1 8 . 1 1 119 119 GLN N N 119 120.070 120.070 119.797 0.273 18824 4924 1 8 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.486 -0.272 18824 4925 1 8 . 1 1 119 119 GLN C C 119 174.692 174.692 175.191 -0.499 18824 4926 1 8 . 1 1 119 119 GLN CA C 119 55.442 55.442 55.458 -0.016 18824 4927 1 8 . 1 1 119 119 GLN CB C 119 29.308 29.308 27.579 1.729 18824 4928 1 8 . 1 1 119 119 GLN H H 119 8.081 8.081 8.517 -0.436 18824 4929 1 9 . 1 1 5 5 ILE N N 5 119.691 119.691 122.160 -2.469 18824 4930 1 9 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.324 -0.266 18824 4931 1 9 . 1 1 5 5 ILE C C 5 175.649 175.649 175.008 0.641 18824 4932 1 9 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.208 -0.612 18824 4933 1 9 . 1 1 5 5 ILE CB C 5 38.674 38.674 40.144 -1.470 18824 4934 1 9 . 1 1 5 5 ILE H H 5 8.370 8.370 8.164 0.206 18824 4935 1 9 . 1 1 6 6 ASP N N 6 126.564 126.564 126.944 -0.380 18824 4936 1 9 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.870 -0.180 18824 4937 1 9 . 1 1 6 6 ASP CA C 6 52.261 52.261 51.535 0.727 18824 4938 1 9 . 1 1 6 6 ASP CB C 6 40.555 40.555 42.707 -2.152 18824 4939 1 9 . 1 1 6 6 ASP H H 6 8.373 8.373 8.514 -0.141 18824 4940 1 9 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.353 -0.193 18824 4941 1 9 . 1 1 7 7 PRO C C 7 176.417 176.417 176.302 0.115 18824 4942 1 9 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.587 -0.536 18824 4943 1 9 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.418 -0.738 18824 4944 1 9 . 1 1 8 8 PHE N N 8 117.858 117.858 115.459 2.399 18824 4945 1 9 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.713 -0.169 18824 4946 1 9 . 1 1 8 8 PHE CA C 8 57.253 57.253 58.117 -0.865 18824 4947 1 9 . 1 1 8 8 PHE CB C 8 38.444 38.444 42.258 -3.814 18824 4948 1 9 . 1 1 8 8 PHE H H 8 7.974 7.974 7.396 0.578 18824 4949 1 9 . 1 1 9 9 THR N N 9 112.459 112.459 118.950 -6.491 18824 4950 1 9 . 1 1 9 9 THR HA H 9 4.338 4.338 4.687 -0.349 18824 4951 1 9 . 1 1 9 9 THR C C 9 175.888 175.888 174.444 1.444 18824 4952 1 9 . 1 1 9 9 THR CA C 9 60.827 60.827 61.120 -0.293 18824 4953 1 9 . 1 1 9 9 THR CB C 9 69.387 69.387 69.582 -0.195 18824 4954 1 9 . 1 1 9 9 THR H H 9 7.927 7.927 8.356 -0.429 18824 4955 1 9 . 1 1 10 10 MET N N 10 121.338 121.338 123.902 -2.564 18824 4956 1 9 . 1 1 10 10 MET HA H 10 4.310 4.310 4.075 0.235 18824 4957 1 9 . 1 1 10 10 MET C C 10 174.386 174.386 175.013 -0.627 18824 4958 1 9 . 1 1 10 10 MET CA C 10 52.415 52.415 55.620 -3.205 18824 4959 1 9 . 1 1 10 10 MET H H 10 7.648 7.648 8.743 -1.095 18824 4960 1 9 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.764 -0.074 18824 4961 1 9 . 1 1 11 11 LEU CA C 11 52.606 52.606 53.562 -0.956 18824 4962 1 9 . 1 1 11 11 LEU CB C 11 44.079 44.079 41.375 2.704 18824 4963 1 9 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.551 0.066 18824 4964 1 9 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.957 -0.692 18824 4965 1 9 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.473 -0.647 18824 4966 1 9 . 1 1 13 13 ARG N N 13 118.005 118.005 118.846 -0.841 18824 4967 1 9 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.639 -0.255 18824 4968 1 9 . 1 1 13 13 ARG C C 13 173.498 173.498 175.189 -1.691 18824 4969 1 9 . 1 1 13 13 ARG CA C 13 54.675 54.675 53.743 0.932 18824 4970 1 9 . 1 1 13 13 ARG CB C 13 32.565 32.565 33.241 -0.676 18824 4971 1 9 . 1 1 13 13 ARG H H 13 8.484 8.484 8.227 0.257 18824 4972 1 9 . 1 1 14 14 LEU N N 14 124.897 124.897 125.483 -0.586 18824 4973 1 9 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.501 0.367 18824 4974 1 9 . 1 1 14 14 LEU C C 14 176.144 176.144 176.284 -0.140 18824 4975 1 9 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.790 -1.743 18824 4976 1 9 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.233 0.723 18824 4977 1 9 . 1 1 14 14 LEU H H 14 8.520 8.520 8.568 -0.048 18824 4978 1 9 . 1 1 15 15 CYS N N 15 127.167 127.167 127.090 0.077 18824 4979 1 9 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.569 0.022 18824 4980 1 9 . 1 1 15 15 CYS C C 15 173.408 173.408 174.120 -0.712 18824 4981 1 9 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.086 -0.632 18824 4982 1 9 . 1 1 15 15 CYS CB C 15 29.325 29.325 26.803 2.522 18824 4983 1 9 . 1 1 15 15 CYS H H 15 9.247 9.247 9.336 -0.089 18824 4984 1 9 . 1 1 16 16 CYS N N 16 125.133 125.133 126.587 -1.454 18824 4985 1 9 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.040 -0.304 18824 4986 1 9 . 1 1 16 16 CYS C C 16 172.784 172.784 174.243 -1.459 18824 4987 1 9 . 1 1 16 16 CYS CA C 16 58.040 58.040 59.354 -1.314 18824 4988 1 9 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.295 -0.053 18824 4989 1 9 . 1 1 16 16 CYS H H 16 9.049 9.049 8.549 0.500 18824 4990 1 9 . 1 1 17 17 LEU N N 17 124.624 124.624 122.516 2.108 18824 4991 1 9 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.979 -0.327 18824 4992 1 9 . 1 1 17 17 LEU C C 17 175.672 175.672 174.998 0.674 18824 4993 1 9 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.306 1.918 18824 4994 1 9 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.808 -0.766 18824 4995 1 9 . 1 1 17 17 LEU H H 17 8.750 8.750 8.594 0.156 18824 4996 1 9 . 1 1 18 18 GLU N N 18 121.610 121.610 120.391 1.219 18824 4997 1 9 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.743 0.017 18824 4998 1 9 . 1 1 18 18 GLU C C 18 175.548 175.548 175.471 0.077 18824 4999 1 9 . 1 1 18 18 GLU CA C 18 54.861 54.861 54.831 0.030 18824 5000 1 9 . 1 1 18 18 GLU CB C 18 31.312 31.312 32.089 -0.777 18824 5001 1 9 . 1 1 18 18 GLU H H 18 8.304 8.304 8.430 -0.126 18824 5002 1 9 . 1 1 19 19 LYS N N 19 123.922 123.922 127.990 -4.068 18824 5003 1 9 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.648 -0.538 18824 5004 1 9 . 1 1 19 19 LYS C C 19 176.635 176.635 176.608 0.027 18824 5005 1 9 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.382 2.106 18824 5006 1 9 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.355 -0.030 18824 5007 1 9 . 1 1 19 19 LYS H H 19 8.131 8.131 8.607 -0.476 18824 5008 1 9 . 1 1 20 20 GLY N N 20 112.282 112.282 114.284 -2.002 18824 5009 1 9 . 1 1 20 20 GLY CA C 20 44.045 44.045 43.590 0.455 18824 5010 1 9 . 1 1 20 20 GLY H H 20 6.955 6.955 8.572 -1.617 18824 5011 1 9 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.314 -0.137 18824 5012 1 9 . 1 1 21 21 PRO C C 21 177.081 177.081 176.476 0.605 18824 5013 1 9 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.911 -0.589 18824 5014 1 9 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.486 0.095 18824 5015 1 9 . 1 1 22 22 ASN N N 22 114.637 114.637 113.643 0.994 18824 5016 1 9 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.671 0.248 18824 5017 1 9 . 1 1 22 22 ASN C C 22 175.102 175.102 175.757 -0.655 18824 5018 1 9 . 1 1 22 22 ASN CA C 22 51.618 51.618 52.124 -0.506 18824 5019 1 9 . 1 1 22 22 ASN CB C 22 38.930 38.930 38.684 0.246 18824 5020 1 9 . 1 1 22 22 ASN H H 22 8.462 8.462 7.703 0.759 18824 5021 1 9 . 1 1 23 23 GLY N N 23 107.193 107.193 108.946 -1.753 18824 5022 1 9 . 1 1 23 23 GLY C C 23 174.932 174.932 173.583 1.349 18824 5023 1 9 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.285 -0.859 18824 5024 1 9 . 1 1 23 23 GLY H H 23 7.499 7.499 7.919 -0.420 18824 5025 1 9 . 1 1 24 24 TYR N N 24 119.910 119.910 123.135 -3.225 18824 5026 1 9 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.735 -0.426 18824 5027 1 9 . 1 1 24 24 TYR C C 24 177.188 177.188 176.087 1.101 18824 5028 1 9 . 1 1 24 24 TYR CA C 24 60.745 60.745 58.477 2.268 18824 5029 1 9 . 1 1 24 24 TYR CB C 24 40.447 40.447 39.917 0.530 18824 5030 1 9 . 1 1 24 24 TYR H H 24 8.894 8.894 8.591 0.303 18824 5031 1 9 . 1 1 25 25 GLY N N 25 104.016 104.016 105.444 -1.428 18824 5032 1 9 . 1 1 25 25 GLY C C 25 173.020 173.020 173.464 -0.444 18824 5033 1 9 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.312 0.209 18824 5034 1 9 . 1 1 25 25 GLY H H 25 8.394 8.394 8.459 -0.065 18824 5035 1 9 . 1 1 26 26 PHE N N 26 110.891 110.891 115.971 -5.080 18824 5036 1 9 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.605 0.034 18824 5037 1 9 . 1 1 26 26 PHE C C 26 172.250 172.250 173.479 -1.229 18824 5038 1 9 . 1 1 26 26 PHE CA C 26 54.106 54.106 55.213 -1.107 18824 5039 1 9 . 1 1 26 26 PHE CB C 26 41.690 41.690 42.292 -0.602 18824 5040 1 9 . 1 1 26 26 PHE H H 26 6.711 6.711 7.476 -0.765 18824 5041 1 9 . 1 1 27 27 HIS N N 27 118.261 118.261 119.091 -0.830 18824 5042 1 9 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.807 -0.023 18824 5043 1 9 . 1 1 27 27 HIS C C 27 174.659 174.659 173.460 1.199 18824 5044 1 9 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.168 -0.611 18824 5045 1 9 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.669 -0.825 18824 5046 1 9 . 1 1 27 27 HIS H H 27 7.964 7.964 9.241 -1.277 18824 5047 1 9 . 1 1 28 28 LEU N N 28 125.694 125.694 124.856 0.838 18824 5048 1 9 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.127 0.358 18824 5049 1 9 . 1 1 28 28 LEU C C 28 176.849 176.849 175.783 1.066 18824 5050 1 9 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.693 -0.030 18824 5051 1 9 . 1 1 28 28 LEU CB C 28 45.031 45.031 44.941 0.090 18824 5052 1 9 . 1 1 28 28 LEU H H 28 9.554 9.554 8.730 0.824 18824 5053 1 9 . 1 1 29 29 HIS N N 29 119.263 119.263 121.855 -2.592 18824 5054 1 9 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.139 -0.378 18824 5055 1 9 . 1 1 29 29 HIS C C 29 173.447 173.447 173.445 0.002 18824 5056 1 9 . 1 1 29 29 HIS CA C 29 55.791 55.791 54.330 1.461 18824 5057 1 9 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.556 -0.720 18824 5058 1 9 . 1 1 29 29 HIS H H 29 9.625 9.625 9.491 0.134 18824 5059 1 9 . 1 1 30 30 GLY N N 30 110.254 110.254 109.228 1.026 18824 5060 1 9 . 1 1 30 30 GLY C C 30 172.917 172.917 173.418 -0.501 18824 5061 1 9 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.448 -0.465 18824 5062 1 9 . 1 1 30 30 GLY H H 30 8.403 8.403 8.755 -0.352 18824 5063 1 9 . 1 1 31 31 GLU N N 31 119.753 119.753 123.134 -3.381 18824 5064 1 9 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.220 0.063 18824 5065 1 9 . 1 1 31 31 GLU C C 31 175.939 175.939 176.073 -0.134 18824 5066 1 9 . 1 1 31 31 GLU CA C 31 54.431 54.431 56.468 -2.037 18824 5067 1 9 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.705 1.638 18824 5068 1 9 . 1 1 31 31 GLU H H 31 9.060 9.060 8.543 0.517 18824 5069 1 9 . 1 1 32 32 LYS N N 32 124.046 124.046 119.809 4.237 18824 5070 1 9 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.413 -0.499 18824 5071 1 9 . 1 1 32 32 LYS C C 32 177.776 177.776 176.819 0.957 18824 5072 1 9 . 1 1 32 32 LYS CA C 32 57.714 57.714 55.826 1.888 18824 5073 1 9 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.914 -1.083 18824 5074 1 9 . 1 1 32 32 LYS H H 32 8.424 8.424 8.353 0.071 18824 5075 1 9 . 1 1 33 33 GLY N N 33 113.177 113.177 113.245 -0.068 18824 5076 1 9 . 1 1 33 33 GLY C C 33 173.408 173.408 174.186 -0.778 18824 5077 1 9 . 1 1 33 33 GLY CA C 33 45.033 45.033 45.407 -0.374 18824 5078 1 9 . 1 1 33 33 GLY H H 33 8.856 8.856 8.816 0.040 18824 5079 1 9 . 1 1 34 34 LYS N N 34 118.719 118.719 119.048 -0.329 18824 5080 1 9 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.437 0.203 18824 5081 1 9 . 1 1 34 34 LYS C C 34 176.528 176.528 176.082 0.446 18824 5082 1 9 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.488 -0.931 18824 5083 1 9 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.514 1.349 18824 5084 1 9 . 1 1 34 34 LYS H H 34 7.790 7.790 7.765 0.025 18824 5085 1 9 . 1 1 35 35 LEU N N 35 124.084 124.084 113.818 10.266 18824 5086 1 9 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.825 -0.340 18824 5087 1 9 . 1 1 35 35 LEU C C 35 177.646 177.646 176.491 1.155 18824 5088 1 9 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.536 0.126 18824 5089 1 9 . 1 1 35 35 LEU CB C 35 42.676 42.676 43.412 -0.736 18824 5090 1 9 . 1 1 35 35 LEU H H 35 8.759 8.759 8.629 0.130 18824 5091 1 9 . 1 1 36 36 GLY N N 36 110.962 110.962 105.444 5.518 18824 5092 1 9 . 1 1 36 36 GLY C C 36 173.070 173.070 172.686 0.384 18824 5093 1 9 . 1 1 36 36 GLY CA C 36 44.526 44.526 43.655 0.871 18824 5094 1 9 . 1 1 36 36 GLY H H 36 8.533 8.533 7.528 1.005 18824 5095 1 9 . 1 1 37 37 GLN N N 37 117.136 117.136 117.194 -0.058 18824 5096 1 9 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.396 0.093 18824 5097 1 9 . 1 1 37 37 GLN C C 37 173.925 173.925 174.686 -0.761 18824 5098 1 9 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.799 0.007 18824 5099 1 9 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.485 0.358 18824 5100 1 9 . 1 1 37 37 GLN H H 37 8.885 8.885 8.118 0.767 18824 5101 1 9 . 1 1 38 38 TYR N N 38 119.053 119.053 118.569 0.484 18824 5102 1 9 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.217 -0.022 18824 5103 1 9 . 1 1 38 38 TYR C C 38 176.110 176.110 175.649 0.461 18824 5104 1 9 . 1 1 38 38 TYR CA C 38 55.230 55.230 55.974 -0.744 18824 5105 1 9 . 1 1 38 38 TYR CB C 38 41.982 41.982 41.984 -0.002 18824 5106 1 9 . 1 1 38 38 TYR H H 38 8.719 8.719 9.097 -0.378 18824 5107 1 9 . 1 1 39 39 ILE N N 39 120.624 120.624 122.333 -1.709 18824 5108 1 9 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.424 -0.174 18824 5109 1 9 . 1 1 39 39 ILE C C 39 175.797 175.797 175.830 -0.033 18824 5110 1 9 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.032 -1.800 18824 5111 1 9 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.609 -1.215 18824 5112 1 9 . 1 1 39 39 ILE H H 39 9.208 9.208 8.915 0.293 18824 5113 1 9 . 1 1 40 40 ARG N N 40 130.372 130.372 127.151 3.221 18824 5114 1 9 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.251 -0.164 18824 5115 1 9 . 1 1 40 40 ARG C C 40 174.846 174.846 175.950 -1.104 18824 5116 1 9 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.312 0.298 18824 5117 1 9 . 1 1 40 40 ARG CB C 40 31.315 31.315 32.181 -0.866 18824 5118 1 9 . 1 1 40 40 ARG H H 40 9.240 9.240 9.051 0.189 18824 5119 1 9 . 1 1 41 41 LEU N N 41 116.642 116.642 118.579 -1.937 18824 5120 1 9 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.706 -0.348 18824 5121 1 9 . 1 1 41 41 LEU C C 41 173.658 173.658 174.409 -0.751 18824 5122 1 9 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.941 -0.256 18824 5123 1 9 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.999 -0.784 18824 5124 1 9 . 1 1 41 41 LEU H H 41 7.130 7.130 7.853 -0.723 18824 5125 1 9 . 1 1 42 42 VAL N N 42 125.934 125.934 122.447 3.487 18824 5126 1 9 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.686 -0.331 18824 5127 1 9 . 1 1 42 42 VAL C C 42 175.548 175.548 175.663 -0.115 18824 5128 1 9 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.443 0.810 18824 5129 1 9 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.554 -0.331 18824 5130 1 9 . 1 1 42 42 VAL H H 42 8.731 8.731 8.341 0.390 18824 5131 1 9 . 1 1 43 43 GLU N N 43 128.285 128.285 128.906 -0.621 18824 5132 1 9 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.563 -0.242 18824 5133 1 9 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.222 0.438 18824 5134 1 9 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.733 -1.004 18824 5135 1 9 . 1 1 43 43 GLU H H 43 9.102 9.102 9.082 0.020 18824 5136 1 9 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.444 -0.004 18824 5137 1 9 . 1 1 44 44 PRO C C 44 178.222 178.222 177.682 0.540 18824 5138 1 9 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.272 0.026 18824 5139 1 9 . 1 1 44 44 PRO CB C 44 31.388 31.388 31.078 0.310 18824 5140 1 9 . 1 1 45 45 GLY N N 45 113.166 113.166 114.326 -1.160 18824 5141 1 9 . 1 1 45 45 GLY C C 45 173.515 173.515 174.372 -0.857 18824 5142 1 9 . 1 1 45 45 GLY CA C 45 45.525 45.525 44.843 0.682 18824 5143 1 9 . 1 1 45 45 GLY H H 45 9.416 9.416 9.869 -0.453 18824 5144 1 9 . 1 1 46 46 SER N N 46 114.219 114.219 117.384 -3.165 18824 5145 1 9 . 1 1 46 46 SER HA H 46 4.670 4.670 4.897 -0.227 18824 5146 1 9 . 1 1 46 46 SER CA C 46 57.103 57.103 56.562 0.541 18824 5147 1 9 . 1 1 46 46 SER CB C 46 64.458 64.458 64.233 0.225 18824 5148 1 9 . 1 1 46 46 SER H H 46 7.422 7.422 7.872 -0.450 18824 5149 1 9 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.394 -0.107 18824 5150 1 9 . 1 1 47 47 PRO C C 47 179.487 179.487 177.507 1.980 18824 5151 1 9 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.466 0.871 18824 5152 1 9 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.739 0.600 18824 5153 1 9 . 1 1 48 48 ALA N N 48 116.941 116.941 122.773 -5.832 18824 5154 1 9 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.947 -0.139 18824 5155 1 9 . 1 1 48 48 ALA C C 48 177.063 177.063 179.286 -2.223 18824 5156 1 9 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.429 -0.319 18824 5157 1 9 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.273 1.901 18824 5158 1 9 . 1 1 48 48 ALA H H 48 7.855 7.855 7.874 -0.019 18824 5159 1 9 . 1 1 49 49 GLU N N 49 120.064 120.064 117.660 2.404 18824 5160 1 9 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.018 -0.164 18824 5161 1 9 . 1 1 49 49 GLU C C 49 181.038 181.038 178.891 2.147 18824 5162 1 9 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.866 0.315 18824 5163 1 9 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.609 0.061 18824 5164 1 9 . 1 1 49 49 GLU H H 49 7.732 7.732 7.880 -0.148 18824 5165 1 9 . 1 1 50 50 LYS N N 50 120.570 120.570 117.377 3.193 18824 5166 1 9 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.110 -0.186 18824 5167 1 9 . 1 1 50 50 LYS C C 50 177.580 177.580 177.435 0.145 18824 5168 1 9 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.284 0.496 18824 5169 1 9 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.293 -0.489 18824 5170 1 9 . 1 1 50 50 LYS H H 50 8.156 8.156 7.407 0.749 18824 5171 1 9 . 1 1 51 51 ALA N N 51 117.482 117.482 117.346 0.136 18824 5172 1 9 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.286 0.022 18824 5173 1 9 . 1 1 51 51 ALA C C 51 177.509 177.509 176.938 0.571 18824 5174 1 9 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.675 -0.557 18824 5175 1 9 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.704 0.491 18824 5176 1 9 . 1 1 51 51 ALA H H 51 7.730 7.730 7.493 0.237 18824 5177 1 9 . 1 1 52 52 GLY N N 52 103.549 103.549 104.913 -1.364 18824 5178 1 9 . 1 1 52 52 GLY C C 52 174.888 174.888 174.402 0.486 18824 5179 1 9 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.776 0.247 18824 5180 1 9 . 1 1 52 52 GLY H H 52 7.513 7.513 7.369 0.144 18824 5181 1 9 . 1 1 53 53 LEU N N 53 120.806 120.806 122.194 -1.388 18824 5182 1 9 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.269 -0.413 18824 5183 1 9 . 1 1 53 53 LEU C C 53 174.692 174.692 175.311 -0.619 18824 5184 1 9 . 1 1 53 53 LEU CA C 53 55.190 55.190 55.454 -0.264 18824 5185 1 9 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.146 0.848 18824 5186 1 9 . 1 1 53 53 LEU H H 53 7.420 7.420 8.028 -0.608 18824 5187 1 9 . 1 1 54 54 LEU N N 54 122.726 122.726 125.286 -2.560 18824 5188 1 9 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.722 -0.217 18824 5189 1 9 . 1 1 54 54 LEU C C 54 176.350 176.350 175.052 1.298 18824 5190 1 9 . 1 1 54 54 LEU CA C 54 52.981 52.981 52.746 0.235 18824 5191 1 9 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.716 -1.152 18824 5192 1 9 . 1 1 54 54 LEU H H 54 8.546 8.546 8.066 0.480 18824 5193 1 9 . 1 1 55 55 ALA N N 55 122.735 122.735 125.875 -3.140 18824 5194 1 9 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.442 -0.711 18824 5195 1 9 . 1 1 55 55 ALA C C 55 179.077 179.077 177.193 1.884 18824 5196 1 9 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.288 -0.288 18824 5197 1 9 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.537 -0.469 18824 5198 1 9 . 1 1 55 55 ALA H H 55 8.551 8.551 8.715 -0.164 18824 5199 1 9 . 1 1 56 56 GLY N N 56 112.553 112.553 112.322 0.231 18824 5200 1 9 . 1 1 56 56 GLY C C 56 174.638 174.638 174.401 0.237 18824 5201 1 9 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.128 -0.647 18824 5202 1 9 . 1 1 56 56 GLY H H 56 9.450 9.450 8.187 1.263 18824 5203 1 9 . 1 1 57 57 ASP N N 57 121.912 121.912 123.276 -1.364 18824 5204 1 9 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.644 -0.097 18824 5205 1 9 . 1 1 57 57 ASP C C 57 174.539 174.539 175.211 -0.672 18824 5206 1 9 . 1 1 57 57 ASP CA C 57 55.157 55.157 56.004 -0.847 18824 5207 1 9 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.720 -0.236 18824 5208 1 9 . 1 1 57 57 ASP H H 57 7.948 7.948 7.952 -0.004 18824 5209 1 9 . 1 1 58 58 ARG N N 58 122.512 122.512 123.104 -0.592 18824 5210 1 9 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.876 -0.895 18824 5211 1 9 . 1 1 58 58 ARG C C 58 175.512 175.512 175.229 0.283 18824 5212 1 9 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.819 -0.650 18824 5213 1 9 . 1 1 58 58 ARG CB C 58 32.435 32.435 32.232 0.203 18824 5214 1 9 . 1 1 58 58 ARG H H 58 8.570 8.570 8.867 -0.297 18824 5215 1 9 . 1 1 59 59 LEU N N 59 126.506 126.506 128.423 -1.917 18824 5216 1 9 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.509 -0.450 18824 5217 1 9 . 1 1 59 59 LEU C C 59 174.420 174.420 175.368 -0.948 18824 5218 1 9 . 1 1 59 59 LEU CA C 59 55.179 55.179 54.973 0.206 18824 5219 1 9 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.216 0.259 18824 5220 1 9 . 1 1 59 59 LEU H H 59 7.917 7.917 8.923 -1.006 18824 5221 1 9 . 1 1 60 60 VAL N N 60 124.914 124.914 128.316 -3.402 18824 5222 1 9 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.072 -0.162 18824 5223 1 9 . 1 1 60 60 VAL CA C 60 63.788 63.788 64.661 -0.873 18824 5224 1 9 . 1 1 60 60 VAL CB C 60 32.805 32.805 32.902 -0.097 18824 5225 1 9 . 1 1 60 60 VAL H H 60 8.781 8.781 9.209 -0.428 18824 5226 1 9 . 1 1 61 61 GLU N N 61 112.868 112.868 117.805 -4.937 18824 5227 1 9 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.140 0.072 18824 5228 1 9 . 1 1 61 61 GLU C C 61 175.717 175.717 174.411 1.306 18824 5229 1 9 . 1 1 61 61 GLU CA C 61 54.186 54.186 55.188 -1.002 18824 5230 1 9 . 1 1 61 61 GLU CB C 61 34.458 34.458 33.906 0.552 18824 5231 1 9 . 1 1 61 61 GLU H H 61 7.332 7.332 7.758 -0.426 18824 5232 1 9 . 1 1 62 62 VAL N N 62 118.357 118.357 123.728 -5.371 18824 5233 1 9 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.733 -0.411 18824 5234 1 9 . 1 1 62 62 VAL C C 62 175.495 175.495 175.900 -0.405 18824 5235 1 9 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.972 -0.222 18824 5236 1 9 . 1 1 62 62 VAL CB C 62 33.376 33.376 33.308 0.068 18824 5237 1 9 . 1 1 62 62 VAL H H 62 8.342 8.342 8.921 -0.579 18824 5238 1 9 . 1 1 63 63 ASN N N 63 129.063 129.063 127.750 1.313 18824 5239 1 9 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.309 -0.130 18824 5240 1 9 . 1 1 63 63 ASN C C 63 175.051 175.051 175.332 -0.281 18824 5241 1 9 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.443 -0.799 18824 5242 1 9 . 1 1 63 63 ASN CB C 63 36.328 36.328 38.190 -1.862 18824 5243 1 9 . 1 1 63 63 ASN H H 63 9.830 9.830 9.424 0.406 18824 5244 1 9 . 1 1 64 64 GLY N N 64 103.346 103.346 101.875 1.471 18824 5245 1 9 . 1 1 64 64 GLY C C 64 173.276 173.276 172.914 0.362 18824 5246 1 9 . 1 1 64 64 GLY CA C 64 45.043 45.043 44.998 0.045 18824 5247 1 9 . 1 1 64 64 GLY H H 64 9.222 9.222 8.636 0.586 18824 5248 1 9 . 1 1 65 65 GLU N N 65 119.230 119.230 120.343 -1.113 18824 5249 1 9 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.539 -0.050 18824 5250 1 9 . 1 1 65 65 GLU C C 65 174.745 174.745 174.891 -0.146 18824 5251 1 9 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.837 -0.146 18824 5252 1 9 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.461 -1.659 18824 5253 1 9 . 1 1 65 65 GLU H H 65 7.553 7.553 7.568 -0.015 18824 5254 1 9 . 1 1 66 66 ASN N N 66 123.478 123.478 126.182 -2.704 18824 5255 1 9 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.775 -0.087 18824 5256 1 9 . 1 1 66 66 ASN C C 66 176.144 176.144 175.618 0.526 18824 5257 1 9 . 1 1 66 66 ASN CA C 66 55.224 55.224 53.672 1.552 18824 5258 1 9 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.541 1.048 18824 5259 1 9 . 1 1 66 66 ASN H H 66 8.865 8.865 8.923 -0.058 18824 5260 1 9 . 1 1 67 67 VAL N N 67 117.695 117.695 120.025 -2.330 18824 5261 1 9 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.385 0.118 18824 5262 1 9 . 1 1 67 67 VAL C C 67 177.475 177.475 176.795 0.680 18824 5263 1 9 . 1 1 67 67 VAL CA C 67 59.756 59.756 62.328 -2.572 18824 5264 1 9 . 1 1 67 67 VAL CB C 67 31.321 31.321 32.403 -1.082 18824 5265 1 9 . 1 1 67 67 VAL H H 67 8.210 8.210 8.280 -0.070 18824 5266 1 9 . 1 1 68 68 GLU N N 68 122.899 122.899 121.846 1.053 18824 5267 1 9 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.304 -0.383 18824 5268 1 9 . 1 1 68 68 GLU C C 68 177.348 177.348 176.001 1.347 18824 5269 1 9 . 1 1 68 68 GLU CA C 68 59.762 59.762 58.549 1.213 18824 5270 1 9 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.415 1.795 18824 5271 1 9 . 1 1 68 68 GLU H H 68 8.427 8.427 7.775 0.652 18824 5272 1 9 . 1 1 69 69 LYS N N 69 113.848 113.848 115.152 -1.304 18824 5273 1 9 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.737 -0.323 18824 5274 1 9 . 1 1 69 69 LYS C C 69 176.510 176.510 176.262 0.248 18824 5275 1 9 . 1 1 69 69 LYS CA C 69 54.675 54.675 54.775 -0.100 18824 5276 1 9 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.181 -0.419 18824 5277 1 9 . 1 1 69 69 LYS H H 69 8.576 8.576 7.847 0.729 18824 5278 1 9 . 1 1 70 70 GLU N N 70 119.980 119.980 119.684 0.296 18824 5279 1 9 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.502 -0.141 18824 5280 1 9 . 1 1 70 70 GLU C C 70 176.831 176.831 175.121 1.710 18824 5281 1 9 . 1 1 70 70 GLU CA C 70 56.329 56.329 55.133 1.196 18824 5282 1 9 . 1 1 70 70 GLU CB C 70 31.293 31.293 31.855 -0.562 18824 5283 1 9 . 1 1 70 70 GLU H H 70 6.994 6.994 7.904 -0.910 18824 5284 1 9 . 1 1 71 71 THR N N 71 110.696 110.696 109.085 1.611 18824 5285 1 9 . 1 1 71 71 THR HA H 71 4.270 4.270 4.930 -0.660 18824 5286 1 9 . 1 1 71 71 THR C C 71 174.812 174.812 175.905 -1.093 18824 5287 1 9 . 1 1 71 71 THR CA C 71 60.267 60.267 60.837 -0.570 18824 5288 1 9 . 1 1 71 71 THR CB C 71 71.497 71.497 71.833 -0.336 18824 5289 1 9 . 1 1 71 71 THR H H 71 8.675 8.675 8.122 0.553 18824 5290 1 9 . 1 1 72 72 HIS N N 72 118.876 118.876 121.358 -2.482 18824 5291 1 9 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.110 -0.526 18824 5292 1 9 . 1 1 72 72 HIS C C 72 175.802 175.802 176.974 -1.172 18824 5293 1 9 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.062 -0.345 18824 5294 1 9 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.935 -1.651 18824 5295 1 9 . 1 1 72 72 HIS H H 72 9.171 9.171 8.883 0.288 18824 5296 1 9 . 1 1 73 73 GLN N N 73 115.563 115.563 118.471 -2.908 18824 5297 1 9 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.085 -0.316 18824 5298 1 9 . 1 1 73 73 GLN C C 73 179.060 179.060 178.379 0.681 18824 5299 1 9 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.209 -0.466 18824 5300 1 9 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.266 -0.473 18824 5301 1 9 . 1 1 73 73 GLN H H 73 8.666 8.666 8.727 -0.061 18824 5302 1 9 . 1 1 74 74 GLN N N 74 119.687 119.687 118.879 0.808 18824 5303 1 9 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.019 -0.182 18824 5304 1 9 . 1 1 74 74 GLN C C 74 179.309 179.309 178.891 0.418 18824 5305 1 9 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.876 -0.153 18824 5306 1 9 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.865 -0.111 18824 5307 1 9 . 1 1 74 74 GLN H H 74 7.614 7.614 7.768 -0.154 18824 5308 1 9 . 1 1 75 75 VAL N N 75 120.633 120.633 120.210 0.423 18824 5309 1 9 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.703 -0.379 18824 5310 1 9 . 1 1 75 75 VAL C C 75 178.031 178.031 178.218 -0.187 18824 5311 1 9 . 1 1 75 75 VAL CA C 75 67.423 67.423 66.557 0.866 18824 5312 1 9 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.491 -0.422 18824 5313 1 9 . 1 1 75 75 VAL H H 75 8.289 8.289 8.053 0.236 18824 5314 1 9 . 1 1 76 76 VAL N N 76 118.966 118.966 120.050 -1.084 18824 5315 1 9 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.504 -0.176 18824 5316 1 9 . 1 1 76 76 VAL C C 76 178.739 178.739 177.995 0.744 18824 5317 1 9 . 1 1 76 76 VAL CA C 76 66.859 66.859 67.159 -0.300 18824 5318 1 9 . 1 1 76 76 VAL CB C 76 30.847 30.847 31.181 -0.334 18824 5319 1 9 . 1 1 76 76 VAL H H 76 8.364 8.364 8.313 0.051 18824 5320 1 9 . 1 1 77 77 SER N N 77 115.158 115.158 115.008 0.150 18824 5321 1 9 . 1 1 77 77 SER HA H 77 3.994 3.994 4.188 -0.194 18824 5322 1 9 . 1 1 77 77 SER C C 77 176.849 176.849 176.454 0.395 18824 5323 1 9 . 1 1 77 77 SER CA C 77 62.162 62.162 61.729 0.433 18824 5324 1 9 . 1 1 77 77 SER CB C 77 62.232 62.232 63.042 -0.810 18824 5325 1 9 . 1 1 77 77 SER H H 77 7.871 7.871 8.062 -0.191 18824 5326 1 9 . 1 1 78 78 ARG N N 78 121.310 121.310 120.358 0.952 18824 5327 1 9 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.084 -0.162 18824 5328 1 9 . 1 1 78 78 ARG C C 78 179.309 179.309 178.809 0.500 18824 5329 1 9 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.867 -0.118 18824 5330 1 9 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.157 0.122 18824 5331 1 9 . 1 1 78 78 ARG H H 78 7.469 7.469 7.340 0.129 18824 5332 1 9 . 1 1 79 79 ILE N N 79 119.383 119.383 120.043 -0.660 18824 5333 1 9 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.689 -0.286 18824 5334 1 9 . 1 1 79 79 ILE C C 79 178.364 178.364 178.701 -0.337 18824 5335 1 9 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.747 -0.457 18824 5336 1 9 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.705 -0.480 18824 5337 1 9 . 1 1 79 79 ILE H H 79 7.759 7.759 8.395 -0.636 18824 5338 1 9 . 1 1 80 80 ARG N N 80 119.497 119.497 118.748 0.749 18824 5339 1 9 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.174 -0.196 18824 5340 1 9 . 1 1 80 80 ARG C C 80 177.544 177.544 177.470 0.074 18824 5341 1 9 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.023 1.707 18824 5342 1 9 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.123 0.705 18824 5343 1 9 . 1 1 80 80 ARG H H 80 8.407 8.407 8.260 0.147 18824 5344 1 9 . 1 1 81 81 ALA N N 81 118.814 118.814 119.766 -0.952 18824 5345 1 9 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.199 -0.138 18824 5346 1 9 . 1 1 81 81 ALA C C 81 177.473 177.473 177.062 0.411 18824 5347 1 9 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.543 0.263 18824 5348 1 9 . 1 1 81 81 ALA CB C 81 18.604 18.604 18.895 -0.291 18824 5349 1 9 . 1 1 81 81 ALA H H 81 7.392 7.392 7.443 -0.051 18824 5350 1 9 . 1 1 82 82 ALA N N 82 121.771 121.771 121.132 0.639 18824 5351 1 9 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.354 -0.044 18824 5352 1 9 . 1 1 82 82 ALA C C 82 177.384 177.384 177.479 -0.095 18824 5353 1 9 . 1 1 82 82 ALA CA C 82 51.604 51.604 51.562 0.042 18824 5354 1 9 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.284 -1.693 18824 5355 1 9 . 1 1 82 82 ALA H H 82 7.182 7.182 7.304 -0.122 18824 5356 1 9 . 1 1 83 83 LEU N N 83 122.357 122.357 125.828 -3.471 18824 5357 1 9 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.226 -0.235 18824 5358 1 9 . 1 1 83 83 LEU C C 83 177.366 177.366 178.196 -0.830 18824 5359 1 9 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.926 -0.949 18824 5360 1 9 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.397 -1.411 18824 5361 1 9 . 1 1 83 83 LEU H H 83 8.171 8.171 8.760 -0.589 18824 5362 1 9 . 1 1 84 84 ASN N N 84 114.897 114.897 114.863 0.034 18824 5363 1 9 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.686 -0.068 18824 5364 1 9 . 1 1 84 84 ASN C C 84 173.651 173.651 173.943 -0.292 18824 5365 1 9 . 1 1 84 84 ASN CA C 84 54.194 54.194 54.361 -0.167 18824 5366 1 9 . 1 1 84 84 ASN CB C 84 39.903 39.903 39.978 -0.075 18824 5367 1 9 . 1 1 84 84 ASN H H 84 8.565 8.565 8.585 -0.020 18824 5368 1 9 . 1 1 85 85 ALA N N 85 124.026 124.026 120.630 3.396 18824 5369 1 9 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.130 -0.059 18824 5370 1 9 . 1 1 85 85 ALA C C 85 175.751 175.751 174.920 0.831 18824 5371 1 9 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.422 0.688 18824 5372 1 9 . 1 1 85 85 ALA CB C 85 21.156 21.156 22.157 -1.002 18824 5373 1 9 . 1 1 85 85 ALA H H 85 7.808 7.808 7.510 0.298 18824 5374 1 9 . 1 1 86 86 VAL N N 86 116.130 116.130 119.751 -3.621 18824 5375 1 9 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.427 0.165 18824 5376 1 9 . 1 1 86 86 VAL C C 86 171.876 171.876 174.189 -2.313 18824 5377 1 9 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.935 -0.187 18824 5378 1 9 . 1 1 86 86 VAL CB C 86 34.893 34.893 36.114 -1.221 18824 5379 1 9 . 1 1 86 86 VAL H H 86 8.432 8.432 9.116 -0.684 18824 5380 1 9 . 1 1 87 87 ARG N N 87 124.913 124.913 126.918 -2.005 18824 5381 1 9 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.779 0.219 18824 5382 1 9 . 1 1 87 87 ARG C C 87 175.316 175.316 175.247 0.069 18824 5383 1 9 . 1 1 87 87 ARG CA C 87 53.991 53.991 54.842 -0.851 18824 5384 1 9 . 1 1 87 87 ARG CB C 87 31.805 31.805 30.641 1.164 18824 5385 1 9 . 1 1 87 87 ARG H H 87 8.255 8.255 8.592 -0.337 18824 5386 1 9 . 1 1 88 88 LEU N N 88 125.141 125.141 124.986 0.155 18824 5387 1 9 . 1 1 88 88 LEU HA H 88 4.950 4.950 5.078 -0.128 18824 5388 1 9 . 1 1 88 88 LEU C C 88 173.836 173.836 175.017 -1.181 18824 5389 1 9 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.481 -1.100 18824 5390 1 9 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.412 -0.460 18824 5391 1 9 . 1 1 88 88 LEU H H 88 9.041 9.041 9.105 -0.064 18824 5392 1 9 . 1 1 89 89 LEU N N 89 126.927 126.927 127.382 -0.455 18824 5393 1 9 . 1 1 89 89 LEU HA H 89 5.177 5.177 5.288 -0.111 18824 5394 1 9 . 1 1 89 89 LEU C C 89 175.726 175.726 175.194 0.532 18824 5395 1 9 . 1 1 89 89 LEU CA C 89 53.709 53.709 52.730 0.979 18824 5396 1 9 . 1 1 89 89 LEU CB C 89 43.514 43.514 42.700 0.814 18824 5397 1 9 . 1 1 89 89 LEU H H 89 8.484 8.484 8.952 -0.468 18824 5398 1 9 . 1 1 90 90 VAL N N 90 119.770 119.770 123.332 -3.562 18824 5399 1 9 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.454 -0.016 18824 5400 1 9 . 1 1 90 90 VAL C C 90 174.157 174.157 173.721 0.436 18824 5401 1 9 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.992 -1.021 18824 5402 1 9 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.579 1.277 18824 5403 1 9 . 1 1 90 90 VAL H H 90 9.001 9.001 8.346 0.655 18824 5404 1 9 . 1 1 91 91 VAL N N 91 112.698 112.698 120.112 -7.414 18824 5405 1 9 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.479 0.230 18824 5406 1 9 . 1 1 91 91 VAL C C 91 173.993 173.993 173.668 0.325 18824 5407 1 9 . 1 1 91 91 VAL CA C 91 58.983 58.983 60.188 -1.205 18824 5408 1 9 . 1 1 91 91 VAL CB C 91 35.466 35.466 36.434 -0.969 18824 5409 1 9 . 1 1 91 91 VAL H H 91 8.011 8.011 8.421 -0.410 18824 5410 1 9 . 1 1 92 92 ASP N N 92 127.066 127.066 128.592 -1.526 18824 5411 1 9 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.815 0.191 18824 5412 1 9 . 1 1 92 92 ASP CA C 92 53.078 53.078 52.224 0.855 18824 5413 1 9 . 1 1 92 92 ASP CB C 92 39.764 39.764 41.751 -1.987 18824 5414 1 9 . 1 1 92 92 ASP H H 92 7.878 7.878 8.812 -0.934 18824 5415 1 9 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.237 0.166 18824 5416 1 9 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.227 0.637 18824 5417 1 9 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.800 0.421 18824 5418 1 9 . 1 1 94 94 GLU N N 94 119.504 119.504 115.964 3.540 18824 5419 1 9 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.124 -0.074 18824 5420 1 9 . 1 1 94 94 GLU C C 94 179.182 179.182 178.790 0.392 18824 5421 1 9 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.183 0.035 18824 5422 1 9 . 1 1 94 94 GLU CB C 94 28.950 28.950 28.757 0.193 18824 5423 1 9 . 1 1 94 94 GLU H H 94 8.156 8.156 8.632 -0.476 18824 5424 1 9 . 1 1 95 95 THR N N 95 120.651 120.651 116.948 3.703 18824 5425 1 9 . 1 1 95 95 THR HA H 95 3.751 3.751 4.087 -0.336 18824 5426 1 9 . 1 1 95 95 THR C C 95 175.888 175.888 176.148 -0.260 18824 5427 1 9 . 1 1 95 95 THR CA C 95 65.764 65.764 66.898 -1.134 18824 5428 1 9 . 1 1 95 95 THR CB C 95 67.338 67.338 68.677 -1.339 18824 5429 1 9 . 1 1 95 95 THR H H 95 8.315 8.315 8.945 -0.630 18824 5430 1 9 . 1 1 96 96 ASP N N 96 120.554 120.554 121.431 -0.877 18824 5431 1 9 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.329 -0.096 18824 5432 1 9 . 1 1 96 96 ASP C C 96 178.275 178.275 178.023 0.252 18824 5433 1 9 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.583 -1.362 18824 5434 1 9 . 1 1 96 96 ASP CB C 96 41.038 41.038 41.037 0.001 18824 5435 1 9 . 1 1 96 96 ASP H H 96 8.381 8.381 8.569 -0.188 18824 5436 1 9 . 1 1 97 97 GLU N N 97 117.457 117.457 119.023 -1.566 18824 5437 1 9 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.979 -0.114 18824 5438 1 9 . 1 1 97 97 GLU C C 97 178.790 178.790 179.061 -0.271 18824 5439 1 9 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.269 -0.060 18824 5440 1 9 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.389 -0.343 18824 5441 1 9 . 1 1 97 97 GLU H H 97 7.727 7.727 7.754 -0.027 18824 5442 1 9 . 1 1 98 98 GLN N N 98 118.704 118.704 118.689 0.015 18824 5443 1 9 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.060 -0.086 18824 5444 1 9 . 1 1 98 98 GLN C C 98 178.756 178.756 178.614 0.142 18824 5445 1 9 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.587 -0.347 18824 5446 1 9 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.846 -0.914 18824 5447 1 9 . 1 1 98 98 GLN H H 98 7.733 7.733 7.554 0.179 18824 5448 1 9 . 1 1 99 99 LEU N N 99 119.242 119.242 120.445 -1.203 18824 5449 1 9 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.497 0.417 18824 5450 1 9 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.894 -0.175 18824 5451 1 9 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.371 -1.488 18824 5452 1 9 . 1 1 99 99 LEU H H 99 8.494 8.494 8.349 0.145 18824 5453 1 9 . 1 1 100 100 GLN N N 100 118.689 118.689 116.799 1.890 18824 5454 1 9 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.094 -0.130 18824 5455 1 9 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.124 0.510 18824 5456 1 9 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.071 -0.353 18824 5457 1 9 . 1 1 100 100 GLN H H 100 8.202 8.202 8.477 -0.275 18824 5458 1 9 . 1 1 101 101 LYS N N 101 120.369 120.369 119.118 1.251 18824 5459 1 9 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.125 -0.191 18824 5460 1 9 . 1 1 101 101 LYS CA C 101 58.742 58.742 57.569 1.173 18824 5461 1 9 . 1 1 101 101 LYS CB C 101 31.861 31.861 31.782 0.079 18824 5462 1 9 . 1 1 101 101 LYS H H 101 7.783 7.783 7.349 0.434 18824 5463 1 9 . 1 1 102 102 LEU N N 102 117.862 117.862 117.660 0.202 18824 5464 1 9 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.040 0.117 18824 5465 1 9 . 1 1 102 102 LEU C C 102 177.526 177.526 178.155 -0.629 18824 5466 1 9 . 1 1 102 102 LEU CA C 102 55.174 55.174 56.592 -1.418 18824 5467 1 9 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.394 0.572 18824 5468 1 9 . 1 1 102 102 LEU H H 102 7.512 7.512 7.837 -0.325 18824 5469 1 9 . 1 1 103 103 GLY N N 103 108.863 108.863 104.168 4.695 18824 5470 1 9 . 1 1 103 103 GLY C C 103 174.353 174.353 173.013 1.340 18824 5471 1 9 . 1 1 103 103 GLY CA C 103 45.565 45.565 44.430 1.135 18824 5472 1 9 . 1 1 103 103 GLY H H 103 7.851 7.851 7.936 -0.085 18824 5473 1 9 . 1 1 104 104 VAL N N 104 120.506 120.506 118.597 1.909 18824 5474 1 9 . 1 1 104 104 VAL HA H 104 3.852 3.852 3.867 -0.015 18824 5475 1 9 . 1 1 104 104 VAL CA C 104 61.751 61.751 63.384 -1.633 18824 5476 1 9 . 1 1 104 104 VAL CB C 104 32.824 32.824 31.995 0.829 18824 5477 1 9 . 1 1 104 104 VAL H H 104 7.726 7.726 8.414 -0.688 18824 5478 1 9 . 1 1 105 105 GLN N N 105 124.776 124.776 124.223 0.553 18824 5479 1 9 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.429 -0.322 18824 5480 1 9 . 1 1 105 105 GLN CA C 105 55.170 55.170 54.697 0.473 18824 5481 1 9 . 1 1 105 105 GLN CB C 105 28.783 28.783 27.694 1.089 18824 5482 1 9 . 1 1 105 105 GLN H H 105 8.245 8.245 8.924 -0.679 18824 5483 1 9 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.644 -0.183 18824 5484 1 9 . 1 1 106 106 VAL C C 106 179.182 179.182 176.515 2.667 18824 5485 1 9 . 1 1 106 106 VAL CA C 106 64.553 64.553 65.601 -1.048 18824 5486 1 9 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.880 -1.571 18824 5487 1 9 . 1 1 106 106 VAL H H 106 8.504 8.504 7.955 0.549 18824 5488 1 9 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.142 0.098 18824 5489 1 9 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.300 -0.681 18824 5490 1 9 . 1 1 108 108 GLU CA C 108 59.746 59.746 56.839 2.907 18824 5491 1 9 . 1 1 108 108 GLU CB C 108 29.234 29.234 31.272 -2.038 18824 5492 1 9 . 1 1 108 108 GLU H H 108 8.690 8.690 7.667 1.023 18824 5493 1 9 . 1 1 110 110 LEU HA H 110 4.042 4.042 3.966 0.076 18824 5494 1 9 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.492 -1.132 18824 5495 1 9 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.666 0.454 18824 5496 1 9 . 1 1 111 111 LEU N N 111 116.974 116.974 118.263 -1.289 18824 5497 1 9 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.008 0.075 18824 5498 1 9 . 1 1 111 111 LEU C C 111 177.598 177.598 178.658 -1.060 18824 5499 1 9 . 1 1 111 111 LEU CA C 111 55.628 55.628 57.441 -1.813 18824 5500 1 9 . 1 1 111 111 LEU CB C 111 40.977 40.977 40.803 0.174 18824 5501 1 9 . 1 1 111 111 LEU H H 111 7.791 7.791 7.725 0.066 18824 5502 1 9 . 1 1 112 112 ARG N N 112 119.231 119.231 116.360 2.871 18824 5503 1 9 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.161 -0.009 18824 5504 1 9 . 1 1 112 112 ARG C C 112 176.246 176.246 178.920 -2.674 18824 5505 1 9 . 1 1 112 112 ARG CA C 112 56.180 56.180 58.491 -2.311 18824 5506 1 9 . 1 1 112 112 ARG CB C 112 30.340 30.340 29.636 0.704 18824 5507 1 9 . 1 1 112 112 ARG H H 112 7.528 7.528 8.278 -0.750 18824 5508 1 9 . 1 1 113 113 ALA N N 113 123.896 123.896 123.617 0.279 18824 5509 1 9 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.216 -0.077 18824 5510 1 9 . 1 1 113 113 ALA C C 113 177.783 177.783 178.253 -0.470 18824 5511 1 9 . 1 1 113 113 ALA CA C 113 52.649 52.649 54.120 -1.471 18824 5512 1 9 . 1 1 113 113 ALA CB C 113 18.618 18.618 19.130 -0.512 18824 5513 1 9 . 1 1 113 113 ALA H H 113 7.954 7.954 7.574 0.380 18824 5514 1 9 . 1 1 114 114 GLN N N 114 118.555 118.555 116.978 1.577 18824 5515 1 9 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.573 -0.414 18824 5516 1 9 . 1 1 114 114 GLN C C 114 175.815 175.815 174.987 0.828 18824 5517 1 9 . 1 1 114 114 GLN CA C 114 55.551 55.551 53.920 1.631 18824 5518 1 9 . 1 1 114 114 GLN CB C 114 29.023 29.023 28.310 0.713 18824 5519 1 9 . 1 1 114 114 GLN H H 114 8.121 8.121 7.878 0.243 18824 5520 1 9 . 1 1 115 115 GLU N N 115 121.589 121.589 120.856 0.733 18824 5521 1 9 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.231 -0.101 18824 5522 1 9 . 1 1 115 115 GLU C C 115 175.637 175.637 175.778 -0.141 18824 5523 1 9 . 1 1 115 115 GLU CA C 115 55.779 55.779 57.194 -1.415 18824 5524 1 9 . 1 1 115 115 GLU CB C 115 30.038 30.038 30.032 0.006 18824 5525 1 9 . 1 1 115 115 GLU H H 115 8.164 8.164 7.716 0.448 18824 5526 1 9 . 1 1 116 116 ALA N N 116 126.435 126.435 125.190 1.245 18824 5527 1 9 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.587 -0.128 18824 5528 1 9 . 1 1 116 116 ALA CA C 116 50.094 50.094 50.534 -0.440 18824 5529 1 9 . 1 1 116 116 ALA CB C 116 17.622 17.622 19.658 -2.036 18824 5530 1 9 . 1 1 116 116 ALA H H 116 8.266 8.266 8.266 -0.000 18824 5531 1 9 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.539 -0.235 18824 5532 1 9 . 1 1 117 117 PRO C C 117 177.580 177.580 176.820 0.760 18824 5533 1 9 . 1 1 117 117 PRO CA C 117 62.789 62.789 63.813 -1.024 18824 5534 1 9 . 1 1 117 117 PRO CB C 117 31.812 31.812 31.038 0.774 18824 5535 1 9 . 1 1 118 118 GLY N N 118 109.304 109.304 112.227 -2.923 18824 5536 1 9 . 1 1 118 118 GLY C C 118 173.872 173.872 174.851 -0.979 18824 5537 1 9 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.442 -0.428 18824 5538 1 9 . 1 1 118 118 GLY H H 118 8.425 8.425 8.314 0.111 18824 5539 1 9 . 1 1 119 119 GLN N N 119 120.070 120.070 119.420 0.650 18824 5540 1 9 . 1 1 119 119 GLN HA H 119 4.214 4.214 3.735 0.479 18824 5541 1 9 . 1 1 119 119 GLN C C 119 174.692 174.692 174.728 -0.036 18824 5542 1 9 . 1 1 119 119 GLN CA C 119 55.442 55.442 58.381 -2.939 18824 5543 1 9 . 1 1 119 119 GLN CB C 119 29.308 29.308 27.923 1.385 18824 5544 1 9 . 1 1 119 119 GLN H H 119 8.081 8.081 8.202 -0.121 18824 5545 1 10 . 1 1 5 5 ILE N N 5 119.691 119.691 122.974 -3.283 18824 5546 1 10 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.367 -0.309 18824 5547 1 10 . 1 1 5 5 ILE C C 5 175.649 175.649 174.722 0.927 18824 5548 1 10 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.233 -0.637 18824 5549 1 10 . 1 1 5 5 ILE CB C 5 38.674 38.674 40.022 -1.347 18824 5550 1 10 . 1 1 5 5 ILE H H 5 8.370 8.370 8.063 0.307 18824 5551 1 10 . 1 1 6 6 ASP N N 6 126.564 126.564 127.294 -0.730 18824 5552 1 10 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.926 -0.236 18824 5553 1 10 . 1 1 6 6 ASP CA C 6 52.261 52.261 52.022 0.239 18824 5554 1 10 . 1 1 6 6 ASP CB C 6 40.555 40.555 43.119 -2.564 18824 5555 1 10 . 1 1 6 6 ASP H H 6 8.373 8.373 8.472 -0.099 18824 5556 1 10 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.173 -0.013 18824 5557 1 10 . 1 1 7 7 PRO C C 7 176.417 176.417 175.665 0.752 18824 5558 1 10 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.816 -0.766 18824 5559 1 10 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.286 -0.606 18824 5560 1 10 . 1 1 8 8 PHE N N 8 117.858 117.858 114.830 3.028 18824 5561 1 10 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.635 -0.091 18824 5562 1 10 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.861 -0.608 18824 5563 1 10 . 1 1 8 8 PHE CB C 8 38.444 38.444 42.132 -3.688 18824 5564 1 10 . 1 1 8 8 PHE H H 8 7.974 7.974 7.581 0.393 18824 5565 1 10 . 1 1 9 9 THR N N 9 112.459 112.459 119.343 -6.884 18824 5566 1 10 . 1 1 9 9 THR HA H 9 4.338 4.338 4.427 -0.089 18824 5567 1 10 . 1 1 9 9 THR C C 9 175.888 175.888 173.401 2.487 18824 5568 1 10 . 1 1 9 9 THR CA C 9 60.827 60.827 62.636 -1.809 18824 5569 1 10 . 1 1 9 9 THR CB C 9 69.387 69.387 69.957 -0.570 18824 5570 1 10 . 1 1 9 9 THR H H 9 7.927 7.927 8.659 -0.732 18824 5571 1 10 . 1 1 10 10 MET N N 10 121.338 121.338 125.041 -3.703 18824 5572 1 10 . 1 1 10 10 MET HA H 10 4.310 4.310 4.198 0.112 18824 5573 1 10 . 1 1 10 10 MET C C 10 174.386 174.386 174.139 0.247 18824 5574 1 10 . 1 1 10 10 MET CA C 10 52.415 52.415 56.166 -3.751 18824 5575 1 10 . 1 1 10 10 MET H H 10 7.648 7.648 8.773 -1.125 18824 5576 1 10 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.844 -0.154 18824 5577 1 10 . 1 1 11 11 LEU CA C 11 52.606 52.606 52.911 -0.305 18824 5578 1 10 . 1 1 11 11 LEU CB C 11 44.079 44.079 41.345 2.734 18824 5579 1 10 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.649 -0.032 18824 5580 1 10 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.374 -0.109 18824 5581 1 10 . 1 1 12 12 PRO CB C 12 31.826 31.826 33.087 -1.261 18824 5582 1 10 . 1 1 13 13 ARG N N 13 118.005 118.005 118.176 -0.171 18824 5583 1 10 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.583 -0.199 18824 5584 1 10 . 1 1 13 13 ARG C C 13 173.498 173.498 174.804 -1.306 18824 5585 1 10 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.634 0.041 18824 5586 1 10 . 1 1 13 13 ARG CB C 13 32.565 32.565 33.369 -0.804 18824 5587 1 10 . 1 1 13 13 ARG H H 13 8.484 8.484 8.379 0.105 18824 5588 1 10 . 1 1 14 14 LEU N N 14 124.897 124.897 124.449 0.448 18824 5589 1 10 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.395 0.473 18824 5590 1 10 . 1 1 14 14 LEU C C 14 176.144 176.144 175.857 0.287 18824 5591 1 10 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.599 -1.552 18824 5592 1 10 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.813 0.144 18824 5593 1 10 . 1 1 14 14 LEU H H 14 8.520 8.520 8.550 -0.030 18824 5594 1 10 . 1 1 15 15 CYS N N 15 127.167 127.167 128.583 -1.416 18824 5595 1 10 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.554 0.037 18824 5596 1 10 . 1 1 15 15 CYS C C 15 173.408 173.408 174.031 -0.623 18824 5597 1 10 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.617 -1.163 18824 5598 1 10 . 1 1 15 15 CYS CB C 15 29.325 29.325 27.365 1.960 18824 5599 1 10 . 1 1 15 15 CYS H H 15 9.247 9.247 8.977 0.270 18824 5600 1 10 . 1 1 16 16 CYS N N 16 125.133 125.133 126.018 -0.885 18824 5601 1 10 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.291 -0.555 18824 5602 1 10 . 1 1 16 16 CYS C C 16 172.784 172.784 174.578 -1.794 18824 5603 1 10 . 1 1 16 16 CYS CA C 16 58.040 58.040 56.030 2.010 18824 5604 1 10 . 1 1 16 16 CYS CB C 16 27.242 27.242 26.704 0.538 18824 5605 1 10 . 1 1 16 16 CYS H H 16 9.049 9.049 8.794 0.255 18824 5606 1 10 . 1 1 17 17 LEU N N 17 124.624 124.624 122.968 1.656 18824 5607 1 10 . 1 1 17 17 LEU HA H 17 4.652 4.652 5.014 -0.362 18824 5608 1 10 . 1 1 17 17 LEU C C 17 175.672 175.672 175.465 0.207 18824 5609 1 10 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.443 1.781 18824 5610 1 10 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.618 -0.576 18824 5611 1 10 . 1 1 17 17 LEU H H 17 8.750 8.750 8.492 0.258 18824 5612 1 10 . 1 1 18 18 GLU N N 18 121.610 121.610 119.810 1.800 18824 5613 1 10 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.720 0.040 18824 5614 1 10 . 1 1 18 18 GLU C C 18 175.548 175.548 175.540 0.008 18824 5615 1 10 . 1 1 18 18 GLU CA C 18 54.861 54.861 54.817 0.044 18824 5616 1 10 . 1 1 18 18 GLU CB C 18 31.312 31.312 32.130 -0.818 18824 5617 1 10 . 1 1 18 18 GLU H H 18 8.304 8.304 8.597 -0.293 18824 5618 1 10 . 1 1 19 19 LYS N N 19 123.922 123.922 127.785 -3.863 18824 5619 1 10 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.513 -0.403 18824 5620 1 10 . 1 1 19 19 LYS C C 19 176.635 176.635 176.509 0.126 18824 5621 1 10 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.376 2.112 18824 5622 1 10 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.102 0.223 18824 5623 1 10 . 1 1 19 19 LYS H H 19 8.131 8.131 8.565 -0.434 18824 5624 1 10 . 1 1 20 20 GLY N N 20 112.282 112.282 114.693 -2.411 18824 5625 1 10 . 1 1 20 20 GLY CA C 20 44.045 44.045 44.152 -0.107 18824 5626 1 10 . 1 1 20 20 GLY H H 20 6.955 6.955 8.753 -1.798 18824 5627 1 10 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.376 -0.199 18824 5628 1 10 . 1 1 21 21 PRO C C 21 177.081 177.081 176.281 0.800 18824 5629 1 10 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.799 -0.477 18824 5630 1 10 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.511 0.070 18824 5631 1 10 . 1 1 22 22 ASN N N 22 114.637 114.637 114.064 0.573 18824 5632 1 10 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.730 0.189 18824 5633 1 10 . 1 1 22 22 ASN C C 22 175.102 175.102 175.328 -0.226 18824 5634 1 10 . 1 1 22 22 ASN CA C 22 51.618 51.618 51.901 -0.283 18824 5635 1 10 . 1 1 22 22 ASN CB C 22 38.930 38.930 39.217 -0.287 18824 5636 1 10 . 1 1 22 22 ASN H H 22 8.462 8.462 7.641 0.821 18824 5637 1 10 . 1 1 23 23 GLY N N 23 107.193 107.193 108.693 -1.500 18824 5638 1 10 . 1 1 23 23 GLY C C 23 174.932 174.932 173.355 1.577 18824 5639 1 10 . 1 1 23 23 GLY CA C 23 44.426 44.426 44.891 -0.465 18824 5640 1 10 . 1 1 23 23 GLY H H 23 7.499 7.499 7.672 -0.173 18824 5641 1 10 . 1 1 24 24 TYR N N 24 119.910 119.910 122.917 -3.007 18824 5642 1 10 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.814 -0.505 18824 5643 1 10 . 1 1 24 24 TYR C C 24 177.188 177.188 176.218 0.970 18824 5644 1 10 . 1 1 24 24 TYR CA C 24 60.745 60.745 58.991 1.754 18824 5645 1 10 . 1 1 24 24 TYR CB C 24 40.447 40.447 40.030 0.417 18824 5646 1 10 . 1 1 24 24 TYR H H 24 8.894 8.894 8.658 0.236 18824 5647 1 10 . 1 1 25 25 GLY N N 25 104.016 104.016 104.672 -0.656 18824 5648 1 10 . 1 1 25 25 GLY C C 25 173.020 173.020 173.025 -0.005 18824 5649 1 10 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.125 0.396 18824 5650 1 10 . 1 1 25 25 GLY H H 25 8.394 8.394 8.510 -0.116 18824 5651 1 10 . 1 1 26 26 PHE N N 26 110.891 110.891 117.428 -6.537 18824 5652 1 10 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.743 -0.104 18824 5653 1 10 . 1 1 26 26 PHE C C 26 172.250 172.250 173.381 -1.131 18824 5654 1 10 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.038 0.067 18824 5655 1 10 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.962 -0.272 18824 5656 1 10 . 1 1 26 26 PHE H H 26 6.711 6.711 7.364 -0.653 18824 5657 1 10 . 1 1 27 27 HIS N N 27 118.261 118.261 120.123 -1.862 18824 5658 1 10 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.811 -0.027 18824 5659 1 10 . 1 1 27 27 HIS C C 27 174.659 174.659 173.238 1.421 18824 5660 1 10 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.011 -0.454 18824 5661 1 10 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.514 -0.670 18824 5662 1 10 . 1 1 27 27 HIS H H 27 7.964 7.964 9.328 -1.364 18824 5663 1 10 . 1 1 28 28 LEU N N 28 125.694 125.694 126.068 -0.374 18824 5664 1 10 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.012 0.473 18824 5665 1 10 . 1 1 28 28 LEU C C 28 176.849 176.849 176.018 0.831 18824 5666 1 10 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.845 -0.182 18824 5667 1 10 . 1 1 28 28 LEU CB C 28 45.031 45.031 44.395 0.636 18824 5668 1 10 . 1 1 28 28 LEU H H 28 9.554 9.554 8.728 0.826 18824 5669 1 10 . 1 1 29 29 HIS N N 29 119.263 119.263 122.589 -3.326 18824 5670 1 10 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.113 -0.352 18824 5671 1 10 . 1 1 29 29 HIS C C 29 173.447 173.447 173.416 0.031 18824 5672 1 10 . 1 1 29 29 HIS CA C 29 55.791 55.791 54.297 1.494 18824 5673 1 10 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.160 -0.324 18824 5674 1 10 . 1 1 29 29 HIS H H 29 9.625 9.625 9.432 0.193 18824 5675 1 10 . 1 1 30 30 GLY N N 30 110.254 110.254 108.321 1.933 18824 5676 1 10 . 1 1 30 30 GLY C C 30 172.917 172.917 173.691 -0.774 18824 5677 1 10 . 1 1 30 30 GLY CA C 30 43.983 43.983 43.874 0.109 18824 5678 1 10 . 1 1 30 30 GLY H H 30 8.403 8.403 8.452 -0.049 18824 5679 1 10 . 1 1 31 31 GLU N N 31 119.753 119.753 119.511 0.242 18824 5680 1 10 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.382 -0.099 18824 5681 1 10 . 1 1 31 31 GLU C C 31 175.939 175.939 176.749 -0.810 18824 5682 1 10 . 1 1 31 31 GLU CA C 31 54.431 54.431 55.868 -1.437 18824 5683 1 10 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.887 1.456 18824 5684 1 10 . 1 1 31 31 GLU H H 31 9.060 9.060 8.794 0.266 18824 5685 1 10 . 1 1 32 32 LYS N N 32 124.046 124.046 121.782 2.264 18824 5686 1 10 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.062 -0.148 18824 5687 1 10 . 1 1 32 32 LYS C C 32 177.776 177.776 177.322 0.454 18824 5688 1 10 . 1 1 32 32 LYS CA C 32 57.714 57.714 56.958 0.756 18824 5689 1 10 . 1 1 32 32 LYS CB C 32 31.831 31.831 31.476 0.355 18824 5690 1 10 . 1 1 32 32 LYS H H 32 8.424 8.424 8.510 -0.086 18824 5691 1 10 . 1 1 33 33 GLY N N 33 113.177 113.177 116.479 -3.302 18824 5692 1 10 . 1 1 33 33 GLY C C 33 173.408 173.408 174.362 -0.954 18824 5693 1 10 . 1 1 33 33 GLY CA C 33 45.033 45.033 44.949 0.084 18824 5694 1 10 . 1 1 33 33 GLY H H 33 8.856 8.856 8.544 0.312 18824 5695 1 10 . 1 1 34 34 LYS N N 34 118.719 118.719 119.876 -1.157 18824 5696 1 10 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.023 0.617 18824 5697 1 10 . 1 1 34 34 LYS C C 34 176.528 176.528 176.849 -0.321 18824 5698 1 10 . 1 1 34 34 LYS CA C 34 54.557 54.557 57.955 -3.398 18824 5699 1 10 . 1 1 34 34 LYS CB C 34 34.863 34.863 32.383 2.479 18824 5700 1 10 . 1 1 34 34 LYS H H 34 7.790 7.790 8.001 -0.211 18824 5701 1 10 . 1 1 35 35 LEU N N 35 124.084 124.084 112.791 11.293 18824 5702 1 10 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.677 -0.192 18824 5703 1 10 . 1 1 35 35 LEU C C 35 177.646 177.646 175.470 2.176 18824 5704 1 10 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.646 0.016 18824 5705 1 10 . 1 1 35 35 LEU CB C 35 42.676 42.676 43.505 -0.830 18824 5706 1 10 . 1 1 35 35 LEU H H 35 8.759 8.759 8.583 0.176 18824 5707 1 10 . 1 1 36 36 GLY N N 36 110.962 110.962 105.544 5.418 18824 5708 1 10 . 1 1 36 36 GLY C C 36 173.070 173.070 172.716 0.354 18824 5709 1 10 . 1 1 36 36 GLY CA C 36 44.526 44.526 44.132 0.394 18824 5710 1 10 . 1 1 36 36 GLY H H 36 8.533 8.533 7.460 1.073 18824 5711 1 10 . 1 1 37 37 GLN N N 37 117.136 117.136 118.953 -1.817 18824 5712 1 10 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.437 0.052 18824 5713 1 10 . 1 1 37 37 GLN C C 37 173.925 173.925 174.539 -0.614 18824 5714 1 10 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.563 0.243 18824 5715 1 10 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.596 0.247 18824 5716 1 10 . 1 1 37 37 GLN H H 37 8.885 8.885 8.187 0.698 18824 5717 1 10 . 1 1 38 38 TYR N N 38 119.053 119.053 118.647 0.406 18824 5718 1 10 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.464 -0.269 18824 5719 1 10 . 1 1 38 38 TYR C C 38 176.110 176.110 175.816 0.294 18824 5720 1 10 . 1 1 38 38 TYR CA C 38 55.230 55.230 55.667 -0.437 18824 5721 1 10 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.036 -0.054 18824 5722 1 10 . 1 1 38 38 TYR H H 38 8.719 8.719 9.204 -0.485 18824 5723 1 10 . 1 1 39 39 ILE N N 39 120.624 120.624 122.208 -1.584 18824 5724 1 10 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.329 -0.079 18824 5725 1 10 . 1 1 39 39 ILE C C 39 175.797 175.797 176.834 -1.037 18824 5726 1 10 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.025 -1.794 18824 5727 1 10 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.382 -0.988 18824 5728 1 10 . 1 1 39 39 ILE H H 39 9.208 9.208 8.582 0.626 18824 5729 1 10 . 1 1 40 40 ARG N N 40 130.372 130.372 128.217 2.155 18824 5730 1 10 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.150 -0.063 18824 5731 1 10 . 1 1 40 40 ARG C C 40 174.846 174.846 175.791 -0.945 18824 5732 1 10 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.525 0.085 18824 5733 1 10 . 1 1 40 40 ARG CB C 40 31.315 31.315 31.674 -0.359 18824 5734 1 10 . 1 1 40 40 ARG H H 40 9.240 9.240 9.085 0.155 18824 5735 1 10 . 1 1 41 41 LEU N N 41 116.642 116.642 118.137 -1.495 18824 5736 1 10 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.641 -0.283 18824 5737 1 10 . 1 1 41 41 LEU C C 41 173.658 173.658 174.495 -0.837 18824 5738 1 10 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.758 -0.073 18824 5739 1 10 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.970 -0.755 18824 5740 1 10 . 1 1 41 41 LEU H H 41 7.130 7.130 7.830 -0.700 18824 5741 1 10 . 1 1 42 42 VAL N N 42 125.934 125.934 124.304 1.630 18824 5742 1 10 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.925 -0.570 18824 5743 1 10 . 1 1 42 42 VAL C C 42 175.548 175.548 174.873 0.675 18824 5744 1 10 . 1 1 42 42 VAL CA C 42 61.253 61.253 59.674 1.579 18824 5745 1 10 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.694 -0.471 18824 5746 1 10 . 1 1 42 42 VAL H H 42 8.731 8.731 8.512 0.219 18824 5747 1 10 . 1 1 43 43 GLU N N 43 128.285 128.285 129.418 -1.133 18824 5748 1 10 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.634 -0.313 18824 5749 1 10 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.082 0.578 18824 5750 1 10 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.374 -0.645 18824 5751 1 10 . 1 1 43 43 GLU H H 43 9.102 9.102 8.991 0.111 18824 5752 1 10 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.446 -0.006 18824 5753 1 10 . 1 1 44 44 PRO C C 44 178.222 178.222 177.701 0.521 18824 5754 1 10 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.473 -0.175 18824 5755 1 10 . 1 1 44 44 PRO CB C 44 31.388 31.388 30.866 0.522 18824 5756 1 10 . 1 1 45 45 GLY N N 45 113.166 113.166 114.623 -1.457 18824 5757 1 10 . 1 1 45 45 GLY C C 45 173.515 173.515 174.408 -0.893 18824 5758 1 10 . 1 1 45 45 GLY CA C 45 45.525 45.525 44.812 0.713 18824 5759 1 10 . 1 1 45 45 GLY H H 45 9.416 9.416 9.850 -0.434 18824 5760 1 10 . 1 1 46 46 SER N N 46 114.219 114.219 117.872 -3.653 18824 5761 1 10 . 1 1 46 46 SER HA H 46 4.670 4.670 4.911 -0.241 18824 5762 1 10 . 1 1 46 46 SER CA C 46 57.103 57.103 56.642 0.461 18824 5763 1 10 . 1 1 46 46 SER CB C 46 64.458 64.458 64.191 0.267 18824 5764 1 10 . 1 1 46 46 SER H H 46 7.422 7.422 7.954 -0.532 18824 5765 1 10 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.405 -0.118 18824 5766 1 10 . 1 1 47 47 PRO C C 47 179.487 179.487 177.322 2.165 18824 5767 1 10 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.779 0.558 18824 5768 1 10 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.675 0.664 18824 5769 1 10 . 1 1 48 48 ALA N N 48 116.941 116.941 122.660 -5.719 18824 5770 1 10 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.951 -0.143 18824 5771 1 10 . 1 1 48 48 ALA C C 48 177.063 177.063 179.324 -2.261 18824 5772 1 10 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.311 -0.201 18824 5773 1 10 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.306 1.868 18824 5774 1 10 . 1 1 48 48 ALA H H 48 7.855 7.855 7.781 0.074 18824 5775 1 10 . 1 1 49 49 GLU N N 49 120.064 120.064 118.434 1.630 18824 5776 1 10 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.055 -0.201 18824 5777 1 10 . 1 1 49 49 GLU C C 49 181.038 181.038 179.832 1.206 18824 5778 1 10 . 1 1 49 49 GLU CA C 49 59.181 59.181 59.001 0.180 18824 5779 1 10 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.572 0.098 18824 5780 1 10 . 1 1 49 49 GLU H H 49 7.732 7.732 7.852 -0.120 18824 5781 1 10 . 1 1 50 50 LYS N N 50 120.570 120.570 118.117 2.453 18824 5782 1 10 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.152 -0.228 18824 5783 1 10 . 1 1 50 50 LYS C C 50 177.580 177.580 177.507 0.073 18824 5784 1 10 . 1 1 50 50 LYS CA C 50 58.780 58.780 57.993 0.787 18824 5785 1 10 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.194 -0.390 18824 5786 1 10 . 1 1 50 50 LYS H H 50 8.156 8.156 7.534 0.622 18824 5787 1 10 . 1 1 51 51 ALA N N 51 117.482 117.482 118.660 -1.178 18824 5788 1 10 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.281 0.027 18824 5789 1 10 . 1 1 51 51 ALA C C 51 177.509 177.509 176.804 0.705 18824 5790 1 10 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.516 -0.398 18824 5791 1 10 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.877 0.318 18824 5792 1 10 . 1 1 51 51 ALA H H 51 7.730 7.730 7.600 0.130 18824 5793 1 10 . 1 1 52 52 GLY N N 52 103.549 103.549 104.838 -1.289 18824 5794 1 10 . 1 1 52 52 GLY C C 52 174.888 174.888 174.160 0.728 18824 5795 1 10 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.691 0.332 18824 5796 1 10 . 1 1 52 52 GLY H H 52 7.513 7.513 7.676 -0.163 18824 5797 1 10 . 1 1 53 53 LEU N N 53 120.806 120.806 121.950 -1.144 18824 5798 1 10 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.393 -0.537 18824 5799 1 10 . 1 1 53 53 LEU C C 53 174.692 174.692 175.668 -0.976 18824 5800 1 10 . 1 1 53 53 LEU CA C 53 55.190 55.190 55.283 -0.093 18824 5801 1 10 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.845 0.149 18824 5802 1 10 . 1 1 53 53 LEU H H 53 7.420 7.420 7.754 -0.334 18824 5803 1 10 . 1 1 54 54 LEU N N 54 122.726 122.726 123.891 -1.165 18824 5804 1 10 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.736 -0.231 18824 5805 1 10 . 1 1 54 54 LEU C C 54 176.350 176.350 175.124 1.226 18824 5806 1 10 . 1 1 54 54 LEU CA C 54 52.981 52.981 53.418 -0.437 18824 5807 1 10 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.412 -0.848 18824 5808 1 10 . 1 1 54 54 LEU H H 54 8.546 8.546 8.526 0.020 18824 5809 1 10 . 1 1 55 55 ALA N N 55 122.735 122.735 126.609 -3.874 18824 5810 1 10 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.189 -0.458 18824 5811 1 10 . 1 1 55 55 ALA C C 55 179.077 179.077 177.784 1.293 18824 5812 1 10 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.526 -0.527 18824 5813 1 10 . 1 1 55 55 ALA CB C 55 17.068 17.068 18.214 -1.146 18824 5814 1 10 . 1 1 55 55 ALA H H 55 8.551 8.551 8.604 -0.053 18824 5815 1 10 . 1 1 56 56 GLY N N 56 112.553 112.553 113.749 -1.196 18824 5816 1 10 . 1 1 56 56 GLY C C 56 174.638 174.638 174.570 0.068 18824 5817 1 10 . 1 1 56 56 GLY CA C 56 44.481 44.481 44.784 -0.303 18824 5818 1 10 . 1 1 56 56 GLY H H 56 9.450 9.450 8.545 0.905 18824 5819 1 10 . 1 1 57 57 ASP N N 57 121.912 121.912 123.513 -1.601 18824 5820 1 10 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.496 0.051 18824 5821 1 10 . 1 1 57 57 ASP C C 57 174.539 174.539 175.455 -0.916 18824 5822 1 10 . 1 1 57 57 ASP CA C 57 55.157 55.157 55.647 -0.490 18824 5823 1 10 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.145 0.339 18824 5824 1 10 . 1 1 57 57 ASP H H 57 7.948 7.948 7.999 -0.051 18824 5825 1 10 . 1 1 58 58 ARG N N 58 122.512 122.512 123.684 -1.172 18824 5826 1 10 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.643 -0.662 18824 5827 1 10 . 1 1 58 58 ARG C C 58 175.512 175.512 175.068 0.444 18824 5828 1 10 . 1 1 58 58 ARG CA C 58 55.169 55.169 56.071 -0.902 18824 5829 1 10 . 1 1 58 58 ARG CB C 58 32.435 32.435 31.394 1.041 18824 5830 1 10 . 1 1 58 58 ARG H H 58 8.570 8.570 8.511 0.059 18824 5831 1 10 . 1 1 59 59 LEU N N 59 126.506 126.506 128.578 -2.072 18824 5832 1 10 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.486 -0.427 18824 5833 1 10 . 1 1 59 59 LEU C C 59 174.420 174.420 175.298 -0.878 18824 5834 1 10 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.146 0.033 18824 5835 1 10 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.378 0.097 18824 5836 1 10 . 1 1 59 59 LEU H H 59 7.917 7.917 8.820 -0.903 18824 5837 1 10 . 1 1 60 60 VAL N N 60 124.914 124.914 126.153 -1.239 18824 5838 1 10 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.309 -0.399 18824 5839 1 10 . 1 1 60 60 VAL CA C 60 63.788 63.788 63.170 0.617 18824 5840 1 10 . 1 1 60 60 VAL CB C 60 32.805 32.805 33.380 -0.575 18824 5841 1 10 . 1 1 60 60 VAL H H 60 8.781 8.781 9.120 -0.339 18824 5842 1 10 . 1 1 61 61 GLU N N 61 112.868 112.868 117.803 -4.935 18824 5843 1 10 . 1 1 61 61 GLU HA H 61 5.212 5.212 4.966 0.246 18824 5844 1 10 . 1 1 61 61 GLU C C 61 175.717 175.717 174.220 1.497 18824 5845 1 10 . 1 1 61 61 GLU CA C 61 54.186 54.186 55.173 -0.987 18824 5846 1 10 . 1 1 61 61 GLU CB C 61 34.458 34.458 33.982 0.476 18824 5847 1 10 . 1 1 61 61 GLU H H 61 7.332 7.332 7.649 -0.317 18824 5848 1 10 . 1 1 62 62 VAL N N 62 118.357 118.357 124.104 -5.747 18824 5849 1 10 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.862 -0.540 18824 5850 1 10 . 1 1 62 62 VAL C C 62 175.495 175.495 176.364 -0.869 18824 5851 1 10 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.650 0.100 18824 5852 1 10 . 1 1 62 62 VAL CB C 62 33.376 33.376 32.601 0.775 18824 5853 1 10 . 1 1 62 62 VAL H H 62 8.342 8.342 8.584 -0.242 18824 5854 1 10 . 1 1 63 63 ASN N N 63 129.063 129.063 126.712 2.351 18824 5855 1 10 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.290 -0.111 18824 5856 1 10 . 1 1 63 63 ASN C C 63 175.051 175.051 175.663 -0.612 18824 5857 1 10 . 1 1 63 63 ASN CA C 63 53.644 53.644 56.881 -3.237 18824 5858 1 10 . 1 1 63 63 ASN CB C 63 36.328 36.328 38.085 -1.757 18824 5859 1 10 . 1 1 63 63 ASN H H 63 9.830 9.830 9.691 0.139 18824 5860 1 10 . 1 1 64 64 GLY N N 64 103.346 103.346 105.165 -1.819 18824 5861 1 10 . 1 1 64 64 GLY C C 64 173.276 173.276 171.987 1.289 18824 5862 1 10 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.473 -0.430 18824 5863 1 10 . 1 1 64 64 GLY H H 64 9.222 9.222 8.414 0.808 18824 5864 1 10 . 1 1 65 65 GLU N N 65 119.230 119.230 120.115 -0.885 18824 5865 1 10 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.580 -0.091 18824 5866 1 10 . 1 1 65 65 GLU C C 65 174.745 174.745 174.891 -0.146 18824 5867 1 10 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.318 0.373 18824 5868 1 10 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.688 -1.887 18824 5869 1 10 . 1 1 65 65 GLU H H 65 7.553 7.553 7.593 -0.040 18824 5870 1 10 . 1 1 66 66 ASN N N 66 123.478 123.478 125.889 -2.411 18824 5871 1 10 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.655 0.033 18824 5872 1 10 . 1 1 66 66 ASN C C 66 176.144 176.144 175.623 0.521 18824 5873 1 10 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.011 1.213 18824 5874 1 10 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.701 0.888 18824 5875 1 10 . 1 1 66 66 ASN H H 66 8.865 8.865 8.963 -0.098 18824 5876 1 10 . 1 1 67 67 VAL N N 67 117.695 117.695 119.919 -2.224 18824 5877 1 10 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.409 0.094 18824 5878 1 10 . 1 1 67 67 VAL C C 67 177.475 177.475 176.723 0.752 18824 5879 1 10 . 1 1 67 67 VAL CA C 67 59.756 59.756 61.433 -1.677 18824 5880 1 10 . 1 1 67 67 VAL CB C 67 31.321 31.321 32.138 -0.817 18824 5881 1 10 . 1 1 67 67 VAL H H 67 8.210 8.210 8.725 -0.515 18824 5882 1 10 . 1 1 68 68 GLU N N 68 122.899 122.899 121.575 1.324 18824 5883 1 10 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.195 -0.274 18824 5884 1 10 . 1 1 68 68 GLU C C 68 177.348 177.348 176.357 0.991 18824 5885 1 10 . 1 1 68 68 GLU CA C 68 59.762 59.762 58.352 1.410 18824 5886 1 10 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.398 1.812 18824 5887 1 10 . 1 1 68 68 GLU H H 68 8.427 8.427 8.569 -0.142 18824 5888 1 10 . 1 1 69 69 LYS N N 69 113.848 113.848 116.369 -2.521 18824 5889 1 10 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.724 -0.310 18824 5890 1 10 . 1 1 69 69 LYS C C 69 176.510 176.510 175.687 0.823 18824 5891 1 10 . 1 1 69 69 LYS CA C 69 54.675 54.675 55.342 -0.667 18824 5892 1 10 . 1 1 69 69 LYS CB C 69 31.762 31.762 33.269 -1.507 18824 5893 1 10 . 1 1 69 69 LYS H H 69 8.576 8.576 7.953 0.623 18824 5894 1 10 . 1 1 70 70 GLU N N 70 119.980 119.980 119.863 0.117 18824 5895 1 10 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.628 -0.267 18824 5896 1 10 . 1 1 70 70 GLU C C 70 176.831 176.831 175.149 1.682 18824 5897 1 10 . 1 1 70 70 GLU CA C 70 56.329 56.329 54.688 1.641 18824 5898 1 10 . 1 1 70 70 GLU CB C 70 31.293 31.293 31.721 -0.429 18824 5899 1 10 . 1 1 70 70 GLU H H 70 6.994 6.994 7.717 -0.723 18824 5900 1 10 . 1 1 71 71 THR N N 71 110.696 110.696 106.658 4.038 18824 5901 1 10 . 1 1 71 71 THR HA H 71 4.270 4.270 5.048 -0.778 18824 5902 1 10 . 1 1 71 71 THR C C 71 174.812 174.812 175.541 -0.729 18824 5903 1 10 . 1 1 71 71 THR CA C 71 60.267 60.267 59.661 0.606 18824 5904 1 10 . 1 1 71 71 THR CB C 71 71.497 71.497 71.852 -0.355 18824 5905 1 10 . 1 1 71 71 THR H H 71 8.675 8.675 7.971 0.704 18824 5906 1 10 . 1 1 72 72 HIS N N 72 118.876 118.876 120.605 -1.729 18824 5907 1 10 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.083 -0.499 18824 5908 1 10 . 1 1 72 72 HIS C C 72 175.802 175.802 176.950 -1.148 18824 5909 1 10 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.065 -0.348 18824 5910 1 10 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.839 -1.555 18824 5911 1 10 . 1 1 72 72 HIS H H 72 9.171 9.171 8.967 0.204 18824 5912 1 10 . 1 1 73 73 GLN N N 73 115.563 115.563 118.025 -2.462 18824 5913 1 10 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.115 -0.346 18824 5914 1 10 . 1 1 73 73 GLN C C 73 179.060 179.060 178.345 0.715 18824 5915 1 10 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.079 -0.336 18824 5916 1 10 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.285 -0.492 18824 5917 1 10 . 1 1 73 73 GLN H H 73 8.666 8.666 8.669 -0.003 18824 5918 1 10 . 1 1 74 74 GLN N N 74 119.687 119.687 118.748 0.939 18824 5919 1 10 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.072 -0.235 18824 5920 1 10 . 1 1 74 74 GLN C C 74 179.309 179.309 178.915 0.394 18824 5921 1 10 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.556 0.167 18824 5922 1 10 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.524 0.230 18824 5923 1 10 . 1 1 74 74 GLN H H 74 7.614 7.614 7.796 -0.182 18824 5924 1 10 . 1 1 75 75 VAL N N 75 120.633 120.633 120.019 0.614 18824 5925 1 10 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.758 -0.434 18824 5926 1 10 . 1 1 75 75 VAL C C 75 178.031 178.031 178.188 -0.157 18824 5927 1 10 . 1 1 75 75 VAL CA C 75 67.423 67.423 65.811 1.612 18824 5928 1 10 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.003 0.066 18824 5929 1 10 . 1 1 75 75 VAL H H 75 8.289 8.289 8.290 -0.001 18824 5930 1 10 . 1 1 76 76 VAL N N 76 118.966 118.966 120.789 -1.823 18824 5931 1 10 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.582 -0.254 18824 5932 1 10 . 1 1 76 76 VAL C C 76 178.739 178.739 178.229 0.510 18824 5933 1 10 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.870 -0.010 18824 5934 1 10 . 1 1 76 76 VAL CB C 76 30.847 30.847 30.584 0.263 18824 5935 1 10 . 1 1 76 76 VAL H H 76 8.364 8.364 8.359 0.005 18824 5936 1 10 . 1 1 77 77 SER N N 77 115.158 115.158 115.243 -0.085 18824 5937 1 10 . 1 1 77 77 SER HA H 77 3.994 3.994 4.100 -0.106 18824 5938 1 10 . 1 1 77 77 SER C C 77 176.849 176.849 176.837 0.012 18824 5939 1 10 . 1 1 77 77 SER CA C 77 62.162 62.162 61.801 0.361 18824 5940 1 10 . 1 1 77 77 SER CB C 77 62.232 62.232 62.877 -0.645 18824 5941 1 10 . 1 1 77 77 SER H H 77 7.871 7.871 8.042 -0.171 18824 5942 1 10 . 1 1 78 78 ARG N N 78 121.310 121.310 120.793 0.517 18824 5943 1 10 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.076 -0.154 18824 5944 1 10 . 1 1 78 78 ARG C C 78 179.309 179.309 179.096 0.213 18824 5945 1 10 . 1 1 78 78 ARG CA C 78 58.749 58.749 59.012 -0.263 18824 5946 1 10 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.228 0.051 18824 5947 1 10 . 1 1 78 78 ARG H H 78 7.469 7.469 7.351 0.118 18824 5948 1 10 . 1 1 79 79 ILE N N 79 119.383 119.383 119.944 -0.561 18824 5949 1 10 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.741 -0.338 18824 5950 1 10 . 1 1 79 79 ILE C C 79 178.364 178.364 178.540 -0.176 18824 5951 1 10 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.430 -0.140 18824 5952 1 10 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.680 -0.456 18824 5953 1 10 . 1 1 79 79 ILE H H 79 7.759 7.759 8.389 -0.630 18824 5954 1 10 . 1 1 80 80 ARG N N 80 119.497 119.497 119.214 0.283 18824 5955 1 10 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.207 -0.229 18824 5956 1 10 . 1 1 80 80 ARG C C 80 177.544 177.544 177.305 0.239 18824 5957 1 10 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.543 1.187 18824 5958 1 10 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.606 0.222 18824 5959 1 10 . 1 1 80 80 ARG H H 80 8.407 8.407 8.101 0.306 18824 5960 1 10 . 1 1 81 81 ALA N N 81 118.814 118.814 119.991 -1.177 18824 5961 1 10 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.279 -0.218 18824 5962 1 10 . 1 1 81 81 ALA C C 81 177.473 177.473 177.155 0.318 18824 5963 1 10 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.847 -0.041 18824 5964 1 10 . 1 1 81 81 ALA CB C 81 18.604 18.604 18.957 -0.353 18824 5965 1 10 . 1 1 81 81 ALA H H 81 7.392 7.392 7.470 -0.078 18824 5966 1 10 . 1 1 82 82 ALA N N 82 121.771 121.771 121.195 0.576 18824 5967 1 10 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.343 -0.033 18824 5968 1 10 . 1 1 82 82 ALA C C 82 177.384 177.384 177.767 -0.383 18824 5969 1 10 . 1 1 82 82 ALA CA C 82 51.604 51.604 51.604 0.000 18824 5970 1 10 . 1 1 82 82 ALA CB C 82 17.591 17.591 18.717 -1.126 18824 5971 1 10 . 1 1 82 82 ALA H H 82 7.182 7.182 7.133 0.049 18824 5972 1 10 . 1 1 83 83 LEU N N 83 122.357 122.357 124.428 -2.071 18824 5973 1 10 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.085 -0.094 18824 5974 1 10 . 1 1 83 83 LEU C C 83 177.366 177.366 177.484 -0.118 18824 5975 1 10 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.619 -0.642 18824 5976 1 10 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.363 -1.377 18824 5977 1 10 . 1 1 83 83 LEU H H 83 8.171 8.171 8.655 -0.484 18824 5978 1 10 . 1 1 84 84 ASN N N 84 114.897 114.897 112.667 2.230 18824 5979 1 10 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.709 -0.091 18824 5980 1 10 . 1 1 84 84 ASN C C 84 173.651 173.651 173.797 -0.146 18824 5981 1 10 . 1 1 84 84 ASN CA C 84 54.194 54.194 52.883 1.311 18824 5982 1 10 . 1 1 84 84 ASN CB C 84 39.903 39.903 38.270 1.633 18824 5983 1 10 . 1 1 84 84 ASN H H 84 8.565 8.565 8.430 0.135 18824 5984 1 10 . 1 1 85 85 ALA N N 85 124.026 124.026 121.675 2.351 18824 5985 1 10 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.209 -0.138 18824 5986 1 10 . 1 1 85 85 ALA C C 85 175.751 175.751 174.844 0.907 18824 5987 1 10 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.601 0.509 18824 5988 1 10 . 1 1 85 85 ALA CB C 85 21.156 21.156 21.831 -0.675 18824 5989 1 10 . 1 1 85 85 ALA H H 85 7.808 7.808 7.524 0.284 18824 5990 1 10 . 1 1 86 86 VAL N N 86 116.130 116.130 120.061 -3.931 18824 5991 1 10 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.620 -0.028 18824 5992 1 10 . 1 1 86 86 VAL C C 86 171.876 171.876 174.158 -2.282 18824 5993 1 10 . 1 1 86 86 VAL CA C 86 59.748 59.748 58.965 0.783 18824 5994 1 10 . 1 1 86 86 VAL CB C 86 34.893 34.893 35.908 -1.015 18824 5995 1 10 . 1 1 86 86 VAL H H 86 8.432 8.432 8.954 -0.522 18824 5996 1 10 . 1 1 87 87 ARG N N 87 124.913 124.913 127.639 -2.726 18824 5997 1 10 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.698 0.300 18824 5998 1 10 . 1 1 87 87 ARG C C 87 175.316 175.316 175.157 0.159 18824 5999 1 10 . 1 1 87 87 ARG CA C 87 53.991 53.991 54.949 -0.958 18824 6000 1 10 . 1 1 87 87 ARG CB C 87 31.805 31.805 30.958 0.847 18824 6001 1 10 . 1 1 87 87 ARG H H 87 8.255 8.255 8.253 0.002 18824 6002 1 10 . 1 1 88 88 LEU N N 88 125.141 125.141 126.101 -0.960 18824 6003 1 10 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.886 0.064 18824 6004 1 10 . 1 1 88 88 LEU C C 88 173.836 173.836 175.153 -1.317 18824 6005 1 10 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.534 -1.153 18824 6006 1 10 . 1 1 88 88 LEU CB C 88 43.952 43.952 43.949 0.003 18824 6007 1 10 . 1 1 88 88 LEU H H 88 9.041 9.041 9.141 -0.100 18824 6008 1 10 . 1 1 89 89 LEU N N 89 126.927 126.927 128.623 -1.696 18824 6009 1 10 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.906 0.271 18824 6010 1 10 . 1 1 89 89 LEU C C 89 175.726 175.726 174.737 0.989 18824 6011 1 10 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.696 0.013 18824 6012 1 10 . 1 1 89 89 LEU CB C 89 43.514 43.514 43.727 -0.213 18824 6013 1 10 . 1 1 89 89 LEU H H 89 8.484 8.484 8.936 -0.452 18824 6014 1 10 . 1 1 90 90 VAL N N 90 119.770 119.770 123.850 -4.080 18824 6015 1 10 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.481 -0.043 18824 6016 1 10 . 1 1 90 90 VAL C C 90 174.157 174.157 173.529 0.628 18824 6017 1 10 . 1 1 90 90 VAL CA C 90 57.971 57.971 59.202 -1.231 18824 6018 1 10 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.559 1.297 18824 6019 1 10 . 1 1 90 90 VAL H H 90 9.001 9.001 7.856 1.145 18824 6020 1 10 . 1 1 91 91 VAL N N 91 112.698 112.698 120.072 -7.374 18824 6021 1 10 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.496 0.213 18824 6022 1 10 . 1 1 91 91 VAL C C 91 173.993 173.993 174.197 -0.204 18824 6023 1 10 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.815 -0.832 18824 6024 1 10 . 1 1 91 91 VAL CB C 91 35.466 35.466 36.859 -1.393 18824 6025 1 10 . 1 1 91 91 VAL H H 91 8.011 8.011 8.308 -0.297 18824 6026 1 10 . 1 1 92 92 ASP N N 92 127.066 127.066 128.101 -1.035 18824 6027 1 10 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.822 0.184 18824 6028 1 10 . 1 1 92 92 ASP CA C 92 53.078 53.078 52.116 0.962 18824 6029 1 10 . 1 1 92 92 ASP CB C 92 39.764 39.764 41.464 -1.700 18824 6030 1 10 . 1 1 92 92 ASP H H 92 7.878 7.878 8.753 -0.875 18824 6031 1 10 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.270 0.133 18824 6032 1 10 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.089 0.775 18824 6033 1 10 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.903 0.318 18824 6034 1 10 . 1 1 94 94 GLU N N 94 119.504 119.504 116.829 2.675 18824 6035 1 10 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.060 -0.010 18824 6036 1 10 . 1 1 94 94 GLU C C 94 179.182 179.182 178.462 0.720 18824 6037 1 10 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.616 -0.398 18824 6038 1 10 . 1 1 94 94 GLU CB C 94 28.950 28.950 29.096 -0.146 18824 6039 1 10 . 1 1 94 94 GLU H H 94 8.156 8.156 8.297 -0.141 18824 6040 1 10 . 1 1 95 95 THR N N 95 120.651 120.651 116.261 4.390 18824 6041 1 10 . 1 1 95 95 THR HA H 95 3.751 3.751 4.098 -0.347 18824 6042 1 10 . 1 1 95 95 THR C C 95 175.888 175.888 176.066 -0.178 18824 6043 1 10 . 1 1 95 95 THR CA C 95 65.764 65.764 66.914 -1.150 18824 6044 1 10 . 1 1 95 95 THR CB C 95 67.338 67.338 68.686 -1.348 18824 6045 1 10 . 1 1 95 95 THR H H 95 8.315 8.315 8.682 -0.367 18824 6046 1 10 . 1 1 96 96 ASP N N 96 120.554 120.554 121.447 -0.893 18824 6047 1 10 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.326 -0.093 18824 6048 1 10 . 1 1 96 96 ASP C C 96 178.275 178.275 178.242 0.033 18824 6049 1 10 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.585 -1.364 18824 6050 1 10 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.994 0.044 18824 6051 1 10 . 1 1 96 96 ASP H H 96 8.381 8.381 8.570 -0.189 18824 6052 1 10 . 1 1 97 97 GLU N N 97 117.457 117.457 118.803 -1.346 18824 6053 1 10 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.974 -0.109 18824 6054 1 10 . 1 1 97 97 GLU C C 97 178.790 178.790 178.907 -0.117 18824 6055 1 10 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.620 -0.411 18824 6056 1 10 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.361 -0.315 18824 6057 1 10 . 1 1 97 97 GLU H H 97 7.727 7.727 7.893 -0.166 18824 6058 1 10 . 1 1 98 98 GLN N N 98 118.704 118.704 118.148 0.556 18824 6059 1 10 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.161 -0.187 18824 6060 1 10 . 1 1 98 98 GLN C C 98 178.756 178.756 178.519 0.237 18824 6061 1 10 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.282 -0.042 18824 6062 1 10 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.266 -0.334 18824 6063 1 10 . 1 1 98 98 GLN H H 98 7.733 7.733 7.603 0.130 18824 6064 1 10 . 1 1 99 99 LEU N N 99 119.242 119.242 120.355 -1.113 18824 6065 1 10 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.864 0.050 18824 6066 1 10 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.063 0.656 18824 6067 1 10 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.571 -1.688 18824 6068 1 10 . 1 1 99 99 LEU H H 99 8.494 8.494 8.202 0.292 18824 6069 1 10 . 1 1 100 100 GLN N N 100 118.689 118.689 118.927 -0.238 18824 6070 1 10 . 1 1 100 100 GLN HA H 100 3.964 3.964 3.922 0.042 18824 6071 1 10 . 1 1 100 100 GLN CA C 100 58.634 58.634 59.244 -0.610 18824 6072 1 10 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.676 -0.958 18824 6073 1 10 . 1 1 100 100 GLN H H 100 8.202 8.202 8.468 -0.266 18824 6074 1 10 . 1 1 101 101 LYS N N 101 120.369 120.369 119.599 0.770 18824 6075 1 10 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.124 -0.190 18824 6076 1 10 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.171 0.571 18824 6077 1 10 . 1 1 101 101 LYS CB C 101 31.861 31.861 31.939 -0.078 18824 6078 1 10 . 1 1 101 101 LYS H H 101 7.783 7.783 7.690 0.093 18824 6079 1 10 . 1 1 102 102 LEU N N 102 117.862 117.862 117.328 0.534 18824 6080 1 10 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.256 -0.099 18824 6081 1 10 . 1 1 102 102 LEU C C 102 177.526 177.526 177.491 0.035 18824 6082 1 10 . 1 1 102 102 LEU CA C 102 55.174 55.174 54.724 0.451 18824 6083 1 10 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.268 0.698 18824 6084 1 10 . 1 1 102 102 LEU H H 102 7.512 7.512 7.212 0.300 18824 6085 1 10 . 1 1 103 103 GLY N N 103 108.863 108.863 108.062 0.801 18824 6086 1 10 . 1 1 103 103 GLY C C 103 174.353 174.353 174.787 -0.434 18824 6087 1 10 . 1 1 103 103 GLY CA C 103 45.565 45.565 45.344 0.221 18824 6088 1 10 . 1 1 103 103 GLY H H 103 7.851 7.851 7.588 0.263 18824 6089 1 10 . 1 1 104 104 VAL N N 104 120.506 120.506 114.089 6.417 18824 6090 1 10 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.470 -0.618 18824 6091 1 10 . 1 1 104 104 VAL CA C 104 61.751 61.751 60.801 0.950 18824 6092 1 10 . 1 1 104 104 VAL CB C 104 32.824 32.824 33.115 -0.291 18824 6093 1 10 . 1 1 104 104 VAL H H 104 7.726 7.726 7.090 0.636 18824 6094 1 10 . 1 1 105 105 GLN N N 105 124.776 124.776 122.477 2.299 18824 6095 1 10 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.563 -0.456 18824 6096 1 10 . 1 1 105 105 GLN CA C 105 55.170 55.170 55.380 -0.211 18824 6097 1 10 . 1 1 105 105 GLN CB C 105 28.783 28.783 26.625 2.158 18824 6098 1 10 . 1 1 105 105 GLN H H 105 8.245 8.245 8.738 -0.493 18824 6099 1 10 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.639 -0.178 18824 6100 1 10 . 1 1 106 106 VAL C C 106 179.182 179.182 176.483 2.699 18824 6101 1 10 . 1 1 106 106 VAL CA C 106 64.553 64.553 65.528 -0.975 18824 6102 1 10 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.925 -1.616 18824 6103 1 10 . 1 1 106 106 VAL H H 106 8.504 8.504 7.784 0.720 18824 6104 1 10 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.058 0.182 18824 6105 1 10 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.334 -0.715 18824 6106 1 10 . 1 1 108 108 GLU CA C 108 59.746 59.746 57.090 2.656 18824 6107 1 10 . 1 1 108 108 GLU CB C 108 29.234 29.234 31.189 -1.955 18824 6108 1 10 . 1 1 108 108 GLU H H 108 8.690 8.690 7.559 1.131 18824 6109 1 10 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.070 -0.028 18824 6110 1 10 . 1 1 110 110 LEU CA C 110 56.360 56.360 55.817 0.543 18824 6111 1 10 . 1 1 110 110 LEU CB C 110 42.120 42.120 40.878 1.242 18824 6112 1 10 . 1 1 111 111 LEU N N 111 116.974 116.974 116.992 -0.018 18824 6113 1 10 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.081 0.002 18824 6114 1 10 . 1 1 111 111 LEU C C 111 177.598 177.598 178.532 -0.934 18824 6115 1 10 . 1 1 111 111 LEU CA C 111 55.628 55.628 56.850 -1.222 18824 6116 1 10 . 1 1 111 111 LEU CB C 111 40.977 40.977 42.026 -1.049 18824 6117 1 10 . 1 1 111 111 LEU H H 111 7.791 7.791 7.806 -0.015 18824 6118 1 10 . 1 1 112 112 ARG N N 112 119.231 119.231 116.821 2.410 18824 6119 1 10 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.206 -0.054 18824 6120 1 10 . 1 1 112 112 ARG C C 112 176.246 176.246 176.658 -0.412 18824 6121 1 10 . 1 1 112 112 ARG CA C 112 56.180 56.180 57.090 -0.910 18824 6122 1 10 . 1 1 112 112 ARG CB C 112 30.340 30.340 30.084 0.256 18824 6123 1 10 . 1 1 112 112 ARG H H 112 7.528 7.528 7.630 -0.102 18824 6124 1 10 . 1 1 113 113 ALA N N 113 123.896 123.896 122.633 1.263 18824 6125 1 10 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.241 -0.102 18824 6126 1 10 . 1 1 113 113 ALA C C 113 177.783 177.783 176.609 1.174 18824 6127 1 10 . 1 1 113 113 ALA CA C 113 52.649 52.649 51.161 1.488 18824 6128 1 10 . 1 1 113 113 ALA CB C 113 18.618 18.618 20.061 -1.442 18824 6129 1 10 . 1 1 113 113 ALA H H 113 7.954 7.954 7.369 0.585 18824 6130 1 10 . 1 1 114 114 GLN N N 114 118.555 118.555 115.578 2.977 18824 6131 1 10 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.036 0.123 18824 6132 1 10 . 1 1 114 114 GLN C C 114 175.815 175.815 175.574 0.241 18824 6133 1 10 . 1 1 114 114 GLN CA C 114 55.551 55.551 57.068 -1.517 18824 6134 1 10 . 1 1 114 114 GLN CB C 114 29.023 29.023 26.618 2.405 18824 6135 1 10 . 1 1 114 114 GLN H H 114 8.121 8.121 8.521 -0.400 18824 6136 1 10 . 1 1 115 115 GLU N N 115 121.589 121.589 117.486 4.103 18824 6137 1 10 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.284 -0.154 18824 6138 1 10 . 1 1 115 115 GLU C C 115 175.637 175.637 175.853 -0.216 18824 6139 1 10 . 1 1 115 115 GLU CA C 115 55.779 55.779 56.393 -0.614 18824 6140 1 10 . 1 1 115 115 GLU CB C 115 30.038 30.038 29.254 0.784 18824 6141 1 10 . 1 1 115 115 GLU H H 115 8.164 8.164 8.373 -0.209 18824 6142 1 10 . 1 1 116 116 ALA N N 116 126.435 126.435 122.863 3.572 18824 6143 1 10 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.167 0.292 18824 6144 1 10 . 1 1 116 116 ALA CA C 116 50.094 50.094 51.706 -1.613 18824 6145 1 10 . 1 1 116 116 ALA CB C 116 17.622 17.622 17.725 -0.103 18824 6146 1 10 . 1 1 116 116 ALA H H 116 8.266 8.266 7.940 0.326 18824 6147 1 10 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.315 -0.011 18824 6148 1 10 . 1 1 117 117 PRO C C 117 177.580 177.580 176.727 0.853 18824 6149 1 10 . 1 1 117 117 PRO CA C 117 62.789 62.789 63.380 -0.591 18824 6150 1 10 . 1 1 117 117 PRO CB C 117 31.812 31.812 31.171 0.641 18824 6151 1 10 . 1 1 118 118 GLY N N 118 109.304 109.304 112.040 -2.736 18824 6152 1 10 . 1 1 118 118 GLY C C 118 173.872 173.872 175.096 -1.224 18824 6153 1 10 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.397 -0.383 18824 6154 1 10 . 1 1 118 118 GLY H H 118 8.425 8.425 8.466 -0.041 18824 6155 1 10 . 1 1 119 119 GLN N N 119 120.070 120.070 119.616 0.454 18824 6156 1 10 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.472 -0.258 18824 6157 1 10 . 1 1 119 119 GLN C C 119 174.692 174.692 176.863 -2.171 18824 6158 1 10 . 1 1 119 119 GLN CA C 119 55.442 55.442 57.513 -2.071 18824 6159 1 10 . 1 1 119 119 GLN CB C 119 29.308 29.308 28.940 0.368 18824 6160 1 10 . 1 1 119 119 GLN H H 119 8.081 8.081 8.470 -0.389 18824 6161 1 11 . 1 1 5 5 ILE N N 5 119.691 119.691 123.470 -3.779 18824 6162 1 11 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.208 -0.150 18824 6163 1 11 . 1 1 5 5 ILE C C 5 175.649 175.649 175.274 0.375 18824 6164 1 11 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.326 -0.730 18824 6165 1 11 . 1 1 5 5 ILE CB C 5 38.674 38.674 38.941 -0.266 18824 6166 1 11 . 1 1 5 5 ILE H H 5 8.370 8.370 8.063 0.307 18824 6167 1 11 . 1 1 6 6 ASP N N 6 126.564 126.564 128.040 -1.476 18824 6168 1 11 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.787 -0.097 18824 6169 1 11 . 1 1 6 6 ASP CA C 6 52.261 52.261 51.390 0.871 18824 6170 1 11 . 1 1 6 6 ASP CB C 6 40.555 40.555 41.810 -1.255 18824 6171 1 11 . 1 1 6 6 ASP H H 6 8.373 8.373 8.567 -0.194 18824 6172 1 11 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.189 -0.029 18824 6173 1 11 . 1 1 7 7 PRO C C 7 176.417 176.417 175.432 0.985 18824 6174 1 11 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.862 -0.811 18824 6175 1 11 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.041 -0.361 18824 6176 1 11 . 1 1 8 8 PHE N N 8 117.858 117.858 116.877 0.981 18824 6177 1 11 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.760 -0.216 18824 6178 1 11 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.702 -0.449 18824 6179 1 11 . 1 1 8 8 PHE CB C 8 38.444 38.444 42.250 -3.806 18824 6180 1 11 . 1 1 8 8 PHE H H 8 7.974 7.974 7.447 0.527 18824 6181 1 11 . 1 1 9 9 THR N N 9 112.459 112.459 118.522 -6.063 18824 6182 1 11 . 1 1 9 9 THR HA H 9 4.338 4.338 4.522 -0.184 18824 6183 1 11 . 1 1 9 9 THR C C 9 175.888 175.888 174.707 1.181 18824 6184 1 11 . 1 1 9 9 THR CA C 9 60.827 60.827 62.287 -1.460 18824 6185 1 11 . 1 1 9 9 THR CB C 9 69.387 69.387 69.795 -0.408 18824 6186 1 11 . 1 1 9 9 THR H H 9 7.927 7.927 8.376 -0.449 18824 6187 1 11 . 1 1 10 10 MET N N 10 121.338 121.338 127.597 -6.259 18824 6188 1 11 . 1 1 10 10 MET HA H 10 4.310 4.310 4.124 0.186 18824 6189 1 11 . 1 1 10 10 MET C C 10 174.386 174.386 174.848 -0.462 18824 6190 1 11 . 1 1 10 10 MET CA C 10 52.415 52.415 56.934 -4.519 18824 6191 1 11 . 1 1 10 10 MET H H 10 7.648 7.648 8.614 -0.966 18824 6192 1 11 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.163 0.527 18824 6193 1 11 . 1 1 11 11 LEU CA C 11 52.606 52.606 54.968 -2.362 18824 6194 1 11 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.398 3.682 18824 6195 1 11 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.629 -0.012 18824 6196 1 11 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.761 -0.496 18824 6197 1 11 . 1 1 12 12 PRO CB C 12 31.826 31.826 33.396 -1.570 18824 6198 1 11 . 1 1 13 13 ARG N N 13 118.005 118.005 116.585 1.420 18824 6199 1 11 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.655 -0.271 18824 6200 1 11 . 1 1 13 13 ARG C C 13 173.498 173.498 174.825 -1.327 18824 6201 1 11 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.589 0.086 18824 6202 1 11 . 1 1 13 13 ARG CB C 13 32.565 32.565 32.734 -0.169 18824 6203 1 11 . 1 1 13 13 ARG H H 13 8.484 8.484 7.982 0.502 18824 6204 1 11 . 1 1 14 14 LEU N N 14 124.897 124.897 123.063 1.834 18824 6205 1 11 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.441 0.427 18824 6206 1 11 . 1 1 14 14 LEU C C 14 176.144 176.144 176.827 -0.683 18824 6207 1 11 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.686 -1.639 18824 6208 1 11 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.464 0.493 18824 6209 1 11 . 1 1 14 14 LEU H H 14 8.520 8.520 8.627 -0.107 18824 6210 1 11 . 1 1 15 15 CYS N N 15 127.167 127.167 123.969 3.198 18824 6211 1 11 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.609 -0.018 18824 6212 1 11 . 1 1 15 15 CYS C C 15 173.408 173.408 174.741 -1.333 18824 6213 1 11 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.794 -1.340 18824 6214 1 11 . 1 1 15 15 CYS CB C 15 29.325 29.325 27.276 2.049 18824 6215 1 11 . 1 1 15 15 CYS H H 15 9.247 9.247 9.186 0.061 18824 6216 1 11 . 1 1 16 16 CYS N N 16 125.133 125.133 125.135 -0.002 18824 6217 1 11 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.227 -0.491 18824 6218 1 11 . 1 1 16 16 CYS C C 16 172.784 172.784 174.409 -1.625 18824 6219 1 11 . 1 1 16 16 CYS CA C 16 58.040 58.040 56.799 1.241 18824 6220 1 11 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.243 -0.001 18824 6221 1 11 . 1 1 16 16 CYS H H 16 9.049 9.049 8.858 0.191 18824 6222 1 11 . 1 1 17 17 LEU N N 17 124.624 124.624 122.345 2.279 18824 6223 1 11 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.989 -0.337 18824 6224 1 11 . 1 1 17 17 LEU C C 17 175.672 175.672 175.089 0.583 18824 6225 1 11 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.324 1.900 18824 6226 1 11 . 1 1 17 17 LEU CB C 17 44.042 44.042 45.182 -1.140 18824 6227 1 11 . 1 1 17 17 LEU H H 17 8.750 8.750 8.429 0.321 18824 6228 1 11 . 1 1 18 18 GLU N N 18 121.610 121.610 120.350 1.260 18824 6229 1 11 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.781 -0.021 18824 6230 1 11 . 1 1 18 18 GLU C C 18 175.548 175.548 176.108 -0.560 18824 6231 1 11 . 1 1 18 18 GLU CA C 18 54.861 54.861 54.946 -0.085 18824 6232 1 11 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.809 -0.497 18824 6233 1 11 . 1 1 18 18 GLU H H 18 8.304 8.304 8.508 -0.204 18824 6234 1 11 . 1 1 19 19 LYS N N 19 123.922 123.922 127.604 -3.682 18824 6235 1 11 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.187 -0.077 18824 6236 1 11 . 1 1 19 19 LYS C C 19 176.635 176.635 176.682 -0.047 18824 6237 1 11 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.651 1.837 18824 6238 1 11 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.440 -0.115 18824 6239 1 11 . 1 1 19 19 LYS H H 19 8.131 8.131 8.449 -0.318 18824 6240 1 11 . 1 1 20 20 GLY N N 20 112.282 112.282 114.546 -2.264 18824 6241 1 11 . 1 1 20 20 GLY CA C 20 44.045 44.045 44.013 0.032 18824 6242 1 11 . 1 1 20 20 GLY H H 20 6.955 6.955 8.555 -1.600 18824 6243 1 11 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.244 -0.067 18824 6244 1 11 . 1 1 21 21 PRO C C 21 177.081 177.081 176.669 0.412 18824 6245 1 11 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.763 -0.441 18824 6246 1 11 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.818 -0.237 18824 6247 1 11 . 1 1 22 22 ASN N N 22 114.637 114.637 114.805 -0.168 18824 6248 1 11 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.727 0.192 18824 6249 1 11 . 1 1 22 22 ASN C C 22 175.102 175.102 174.304 0.798 18824 6250 1 11 . 1 1 22 22 ASN CA C 22 51.618 51.618 52.195 -0.577 18824 6251 1 11 . 1 1 22 22 ASN CB C 22 38.930 38.930 39.140 -0.210 18824 6252 1 11 . 1 1 22 22 ASN H H 22 8.462 8.462 7.954 0.508 18824 6253 1 11 . 1 1 23 23 GLY N N 23 107.193 107.193 107.946 -0.753 18824 6254 1 11 . 1 1 23 23 GLY C C 23 174.932 174.932 173.073 1.859 18824 6255 1 11 . 1 1 23 23 GLY CA C 23 44.426 44.426 44.625 -0.199 18824 6256 1 11 . 1 1 23 23 GLY H H 23 7.499 7.499 7.426 0.073 18824 6257 1 11 . 1 1 24 24 TYR N N 24 119.910 119.910 121.984 -2.074 18824 6258 1 11 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.798 -0.489 18824 6259 1 11 . 1 1 24 24 TYR C C 24 177.188 177.188 176.115 1.073 18824 6260 1 11 . 1 1 24 24 TYR CA C 24 60.745 60.745 58.995 1.750 18824 6261 1 11 . 1 1 24 24 TYR CB C 24 40.447 40.447 40.070 0.377 18824 6262 1 11 . 1 1 24 24 TYR H H 24 8.894 8.894 8.713 0.181 18824 6263 1 11 . 1 1 25 25 GLY N N 25 104.016 104.016 104.608 -0.592 18824 6264 1 11 . 1 1 25 25 GLY C C 25 173.020 173.020 173.414 -0.394 18824 6265 1 11 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.006 0.515 18824 6266 1 11 . 1 1 25 25 GLY H H 25 8.394 8.394 8.399 -0.005 18824 6267 1 11 . 1 1 26 26 PHE N N 26 110.891 110.891 116.998 -6.107 18824 6268 1 11 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.831 -0.192 18824 6269 1 11 . 1 1 26 26 PHE C C 26 172.250 172.250 173.805 -1.555 18824 6270 1 11 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.778 -0.672 18824 6271 1 11 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.864 -0.174 18824 6272 1 11 . 1 1 26 26 PHE H H 26 6.711 6.711 7.611 -0.900 18824 6273 1 11 . 1 1 27 27 HIS N N 27 118.261 118.261 120.571 -2.310 18824 6274 1 11 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.777 0.007 18824 6275 1 11 . 1 1 27 27 HIS C C 27 174.659 174.659 173.669 0.990 18824 6276 1 11 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.182 -0.625 18824 6277 1 11 . 1 1 27 27 HIS CB C 27 32.844 32.844 32.707 0.137 18824 6278 1 11 . 1 1 27 27 HIS H H 27 7.964 7.964 9.450 -1.486 18824 6279 1 11 . 1 1 28 28 LEU N N 28 125.694 125.694 124.296 1.398 18824 6280 1 11 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.207 0.278 18824 6281 1 11 . 1 1 28 28 LEU C C 28 176.849 176.849 175.191 1.658 18824 6282 1 11 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.806 -0.143 18824 6283 1 11 . 1 1 28 28 LEU CB C 28 45.031 45.031 45.318 -0.287 18824 6284 1 11 . 1 1 28 28 LEU H H 28 9.554 9.554 8.744 0.810 18824 6285 1 11 . 1 1 29 29 HIS N N 29 119.263 119.263 120.843 -1.580 18824 6286 1 11 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.196 -0.435 18824 6287 1 11 . 1 1 29 29 HIS C C 29 173.447 173.447 174.355 -0.908 18824 6288 1 11 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.822 1.969 18824 6289 1 11 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.333 -0.497 18824 6290 1 11 . 1 1 29 29 HIS H H 29 9.625 9.625 9.274 0.351 18824 6291 1 11 . 1 1 30 30 GLY N N 30 110.254 110.254 109.172 1.082 18824 6292 1 11 . 1 1 30 30 GLY C C 30 172.917 172.917 173.545 -0.628 18824 6293 1 11 . 1 1 30 30 GLY CA C 30 43.983 43.983 43.702 0.281 18824 6294 1 11 . 1 1 30 30 GLY H H 30 8.403 8.403 8.912 -0.509 18824 6295 1 11 . 1 1 31 31 GLU N N 31 119.753 119.753 117.098 2.655 18824 6296 1 11 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.047 0.236 18824 6297 1 11 . 1 1 31 31 GLU C C 31 175.939 175.939 175.402 0.537 18824 6298 1 11 . 1 1 31 31 GLU CA C 31 54.431 54.431 57.641 -3.210 18824 6299 1 11 . 1 1 31 31 GLU CB C 31 32.343 32.343 29.211 3.132 18824 6300 1 11 . 1 1 31 31 GLU H H 31 9.060 9.060 8.217 0.843 18824 6301 1 11 . 1 1 32 32 LYS N N 32 124.046 124.046 122.825 1.221 18824 6302 1 11 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.332 -0.418 18824 6303 1 11 . 1 1 32 32 LYS C C 32 177.776 177.776 176.751 1.025 18824 6304 1 11 . 1 1 32 32 LYS CA C 32 57.714 57.714 55.726 1.988 18824 6305 1 11 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.662 -0.831 18824 6306 1 11 . 1 1 32 32 LYS H H 32 8.424 8.424 8.430 -0.006 18824 6307 1 11 . 1 1 33 33 GLY N N 33 113.177 113.177 113.459 -0.282 18824 6308 1 11 . 1 1 33 33 GLY C C 33 173.408 173.408 174.673 -1.265 18824 6309 1 11 . 1 1 33 33 GLY CA C 33 45.033 45.033 45.310 -0.277 18824 6310 1 11 . 1 1 33 33 GLY H H 33 8.856 8.856 8.683 0.173 18824 6311 1 11 . 1 1 34 34 LYS N N 34 118.719 118.719 119.699 -0.980 18824 6312 1 11 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.576 0.064 18824 6313 1 11 . 1 1 34 34 LYS C C 34 176.528 176.528 176.716 -0.188 18824 6314 1 11 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.702 -1.145 18824 6315 1 11 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.664 1.198 18824 6316 1 11 . 1 1 34 34 LYS H H 34 7.790 7.790 7.774 0.016 18824 6317 1 11 . 1 1 35 35 LEU N N 35 124.084 124.084 116.871 7.213 18824 6318 1 11 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.871 -0.386 18824 6319 1 11 . 1 1 35 35 LEU C C 35 177.646 177.646 175.611 2.035 18824 6320 1 11 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.100 0.562 18824 6321 1 11 . 1 1 35 35 LEU CB C 35 42.676 42.676 42.391 0.285 18824 6322 1 11 . 1 1 35 35 LEU H H 35 8.759 8.759 8.458 0.301 18824 6323 1 11 . 1 1 36 36 GLY N N 36 110.962 110.962 106.229 4.733 18824 6324 1 11 . 1 1 36 36 GLY C C 36 173.070 173.070 172.747 0.323 18824 6325 1 11 . 1 1 36 36 GLY CA C 36 44.526 44.526 43.888 0.638 18824 6326 1 11 . 1 1 36 36 GLY H H 36 8.533 8.533 7.655 0.878 18824 6327 1 11 . 1 1 37 37 GLN N N 37 117.136 117.136 120.785 -3.649 18824 6328 1 11 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.420 0.069 18824 6329 1 11 . 1 1 37 37 GLN C C 37 173.925 173.925 174.578 -0.653 18824 6330 1 11 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.535 0.271 18824 6331 1 11 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.490 0.353 18824 6332 1 11 . 1 1 37 37 GLN H H 37 8.885 8.885 8.089 0.796 18824 6333 1 11 . 1 1 38 38 TYR N N 38 119.053 119.053 118.904 0.149 18824 6334 1 11 . 1 1 38 38 TYR HA H 38 5.195 5.195 4.993 0.202 18824 6335 1 11 . 1 1 38 38 TYR C C 38 176.110 176.110 175.405 0.705 18824 6336 1 11 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.076 -0.846 18824 6337 1 11 . 1 1 38 38 TYR CB C 38 41.982 41.982 41.952 0.030 18824 6338 1 11 . 1 1 38 38 TYR H H 38 8.719 8.719 9.141 -0.422 18824 6339 1 11 . 1 1 39 39 ILE N N 39 120.624 120.624 122.284 -1.660 18824 6340 1 11 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.271 -0.021 18824 6341 1 11 . 1 1 39 39 ILE C C 39 175.797 175.797 176.481 -0.684 18824 6342 1 11 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.217 -1.986 18824 6343 1 11 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.266 -0.872 18824 6344 1 11 . 1 1 39 39 ILE H H 39 9.208 9.208 9.070 0.138 18824 6345 1 11 . 1 1 40 40 ARG N N 40 130.372 130.372 130.205 0.167 18824 6346 1 11 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.495 -0.408 18824 6347 1 11 . 1 1 40 40 ARG C C 40 174.846 174.846 175.368 -0.522 18824 6348 1 11 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.521 0.089 18824 6349 1 11 . 1 1 40 40 ARG CB C 40 31.315 31.315 32.382 -1.067 18824 6350 1 11 . 1 1 40 40 ARG H H 40 9.240 9.240 9.200 0.040 18824 6351 1 11 . 1 1 41 41 LEU N N 41 116.642 116.642 119.930 -3.288 18824 6352 1 11 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.791 -0.433 18824 6353 1 11 . 1 1 41 41 LEU C C 41 173.658 173.658 174.335 -0.677 18824 6354 1 11 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.235 0.450 18824 6355 1 11 . 1 1 41 41 LEU CB C 41 45.215 45.215 46.290 -1.075 18824 6356 1 11 . 1 1 41 41 LEU H H 41 7.130 7.130 7.909 -0.779 18824 6357 1 11 . 1 1 42 42 VAL N N 42 125.934 125.934 123.806 2.128 18824 6358 1 11 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.807 -0.452 18824 6359 1 11 . 1 1 42 42 VAL C C 42 175.548 175.548 175.668 -0.120 18824 6360 1 11 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.703 0.550 18824 6361 1 11 . 1 1 42 42 VAL CB C 42 33.223 33.223 34.440 -1.217 18824 6362 1 11 . 1 1 42 42 VAL H H 42 8.731 8.731 8.552 0.179 18824 6363 1 11 . 1 1 43 43 GLU N N 43 128.285 128.285 128.266 0.019 18824 6364 1 11 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.715 -0.394 18824 6365 1 11 . 1 1 43 43 GLU CA C 43 54.660 54.660 53.542 1.118 18824 6366 1 11 . 1 1 43 43 GLU CB C 43 28.729 28.729 30.073 -1.344 18824 6367 1 11 . 1 1 43 43 GLU H H 43 9.102 9.102 9.103 -0.001 18824 6368 1 11 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.356 0.084 18824 6369 1 11 . 1 1 44 44 PRO C C 44 178.222 178.222 176.764 1.458 18824 6370 1 11 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.211 0.087 18824 6371 1 11 . 1 1 44 44 PRO CB C 44 31.388 31.388 30.774 0.614 18824 6372 1 11 . 1 1 45 45 GLY N N 45 113.166 113.166 113.879 -0.713 18824 6373 1 11 . 1 1 45 45 GLY C C 45 173.515 173.515 173.617 -0.102 18824 6374 1 11 . 1 1 45 45 GLY CA C 45 45.525 45.525 45.098 0.427 18824 6375 1 11 . 1 1 45 45 GLY H H 45 9.416 9.416 9.760 -0.344 18824 6376 1 11 . 1 1 46 46 SER N N 46 114.219 114.219 115.740 -1.521 18824 6377 1 11 . 1 1 46 46 SER HA H 46 4.670 4.670 4.966 -0.296 18824 6378 1 11 . 1 1 46 46 SER CA C 46 57.103 57.103 55.904 1.199 18824 6379 1 11 . 1 1 46 46 SER CB C 46 64.458 64.458 64.310 0.148 18824 6380 1 11 . 1 1 46 46 SER H H 46 7.422 7.422 9.093 -1.671 18824 6381 1 11 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.387 -0.100 18824 6382 1 11 . 1 1 47 47 PRO C C 47 179.487 179.487 176.981 2.506 18824 6383 1 11 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.800 0.537 18824 6384 1 11 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.817 0.522 18824 6385 1 11 . 1 1 48 48 ALA N N 48 116.941 116.941 122.952 -6.011 18824 6386 1 11 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.942 -0.134 18824 6387 1 11 . 1 1 48 48 ALA C C 48 177.063 177.063 179.386 -2.323 18824 6388 1 11 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.695 -0.585 18824 6389 1 11 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.234 1.940 18824 6390 1 11 . 1 1 48 48 ALA H H 48 7.855 7.855 7.692 0.163 18824 6391 1 11 . 1 1 49 49 GLU N N 49 120.064 120.064 117.390 2.674 18824 6392 1 11 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.088 -0.234 18824 6393 1 11 . 1 1 49 49 GLU C C 49 181.038 181.038 178.681 2.357 18824 6394 1 11 . 1 1 49 49 GLU CA C 49 59.181 59.181 59.241 -0.060 18824 6395 1 11 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.169 0.501 18824 6396 1 11 . 1 1 49 49 GLU H H 49 7.732 7.732 8.466 -0.734 18824 6397 1 11 . 1 1 50 50 LYS N N 50 120.570 120.570 118.060 2.510 18824 6398 1 11 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.125 -0.201 18824 6399 1 11 . 1 1 50 50 LYS C C 50 177.580 177.580 177.522 0.058 18824 6400 1 11 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.262 0.518 18824 6401 1 11 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.185 -0.381 18824 6402 1 11 . 1 1 50 50 LYS H H 50 8.156 8.156 7.474 0.682 18824 6403 1 11 . 1 1 51 51 ALA N N 51 117.482 117.482 118.103 -0.621 18824 6404 1 11 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.357 -0.049 18824 6405 1 11 . 1 1 51 51 ALA C C 51 177.509 177.509 176.731 0.778 18824 6406 1 11 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.466 -0.348 18824 6407 1 11 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.904 0.291 18824 6408 1 11 . 1 1 51 51 ALA H H 51 7.730 7.730 7.429 0.301 18824 6409 1 11 . 1 1 52 52 GLY N N 52 103.549 103.549 105.213 -1.664 18824 6410 1 11 . 1 1 52 52 GLY C C 52 174.888 174.888 174.422 0.466 18824 6411 1 11 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.779 0.243 18824 6412 1 11 . 1 1 52 52 GLY H H 52 7.513 7.513 7.231 0.282 18824 6413 1 11 . 1 1 53 53 LEU N N 53 120.806 120.806 121.703 -0.897 18824 6414 1 11 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.506 -0.650 18824 6415 1 11 . 1 1 53 53 LEU C C 53 174.692 174.692 175.592 -0.900 18824 6416 1 11 . 1 1 53 53 LEU CA C 53 55.190 55.190 54.338 0.852 18824 6417 1 11 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.609 0.385 18824 6418 1 11 . 1 1 53 53 LEU H H 53 7.420 7.420 7.904 -0.484 18824 6419 1 11 . 1 1 54 54 LEU N N 54 122.726 122.726 124.400 -1.674 18824 6420 1 11 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.699 -0.194 18824 6421 1 11 . 1 1 54 54 LEU C C 54 176.350 176.350 175.388 0.962 18824 6422 1 11 . 1 1 54 54 LEU CA C 54 52.981 52.981 53.442 -0.461 18824 6423 1 11 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.385 -0.821 18824 6424 1 11 . 1 1 54 54 LEU H H 54 8.546 8.546 8.559 -0.013 18824 6425 1 11 . 1 1 55 55 ALA N N 55 122.735 122.735 127.808 -5.073 18824 6426 1 11 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.361 -0.630 18824 6427 1 11 . 1 1 55 55 ALA C C 55 179.077 179.077 177.273 1.804 18824 6428 1 11 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.526 -0.526 18824 6429 1 11 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.933 -0.865 18824 6430 1 11 . 1 1 55 55 ALA H H 55 8.551 8.551 8.678 -0.127 18824 6431 1 11 . 1 1 56 56 GLY N N 56 112.553 112.553 113.739 -1.186 18824 6432 1 11 . 1 1 56 56 GLY C C 56 174.638 174.638 174.685 -0.047 18824 6433 1 11 . 1 1 56 56 GLY CA C 56 44.481 44.481 44.879 -0.398 18824 6434 1 11 . 1 1 56 56 GLY H H 56 9.450 9.450 8.507 0.943 18824 6435 1 11 . 1 1 57 57 ASP N N 57 121.912 121.912 123.114 -1.202 18824 6436 1 11 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.586 -0.039 18824 6437 1 11 . 1 1 57 57 ASP C C 57 174.539 174.539 174.858 -0.319 18824 6438 1 11 . 1 1 57 57 ASP CA C 57 55.157 55.157 56.581 -1.424 18824 6439 1 11 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.607 -0.123 18824 6440 1 11 . 1 1 57 57 ASP H H 57 7.948 7.948 8.001 -0.053 18824 6441 1 11 . 1 1 58 58 ARG N N 58 122.512 122.512 122.967 -0.455 18824 6442 1 11 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.672 -0.691 18824 6443 1 11 . 1 1 58 58 ARG C C 58 175.512 175.512 174.872 0.640 18824 6444 1 11 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.905 -0.736 18824 6445 1 11 . 1 1 58 58 ARG CB C 58 32.435 32.435 31.816 0.620 18824 6446 1 11 . 1 1 58 58 ARG H H 58 8.570 8.570 8.833 -0.263 18824 6447 1 11 . 1 1 59 59 LEU N N 59 126.506 126.506 128.986 -2.480 18824 6448 1 11 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.475 -0.416 18824 6449 1 11 . 1 1 59 59 LEU C C 59 174.420 174.420 175.403 -0.983 18824 6450 1 11 . 1 1 59 59 LEU CA C 59 55.179 55.179 54.962 0.217 18824 6451 1 11 . 1 1 59 59 LEU CB C 59 42.475 42.475 41.893 0.582 18824 6452 1 11 . 1 1 59 59 LEU H H 59 7.917 7.917 8.848 -0.931 18824 6453 1 11 . 1 1 60 60 VAL N N 60 124.914 124.914 126.762 -1.848 18824 6454 1 11 . 1 1 60 60 VAL HA H 60 3.910 3.910 3.918 -0.008 18824 6455 1 11 . 1 1 60 60 VAL CA C 60 63.788 63.788 65.004 -1.216 18824 6456 1 11 . 1 1 60 60 VAL CB C 60 32.805 32.805 32.588 0.217 18824 6457 1 11 . 1 1 60 60 VAL H H 60 8.781 8.781 9.099 -0.318 18824 6458 1 11 . 1 1 61 61 GLU N N 61 112.868 112.868 117.493 -4.625 18824 6459 1 11 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.078 0.134 18824 6460 1 11 . 1 1 61 61 GLU C C 61 175.717 175.717 174.596 1.121 18824 6461 1 11 . 1 1 61 61 GLU CA C 61 54.186 54.186 54.996 -0.810 18824 6462 1 11 . 1 1 61 61 GLU CB C 61 34.458 34.458 33.945 0.513 18824 6463 1 11 . 1 1 61 61 GLU H H 61 7.332 7.332 7.658 -0.326 18824 6464 1 11 . 1 1 62 62 VAL N N 62 118.357 118.357 124.156 -5.799 18824 6465 1 11 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.487 -0.165 18824 6466 1 11 . 1 1 62 62 VAL C C 62 175.495 175.495 175.496 -0.001 18824 6467 1 11 . 1 1 62 62 VAL CA C 62 60.750 60.750 61.395 -0.645 18824 6468 1 11 . 1 1 62 62 VAL CB C 62 33.376 33.376 33.411 -0.035 18824 6469 1 11 . 1 1 62 62 VAL H H 62 8.342 8.342 8.576 -0.234 18824 6470 1 11 . 1 1 63 63 ASN N N 63 129.063 129.063 127.826 1.237 18824 6471 1 11 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.430 -0.251 18824 6472 1 11 . 1 1 63 63 ASN C C 63 175.051 175.051 174.790 0.261 18824 6473 1 11 . 1 1 63 63 ASN CA C 63 53.644 53.644 55.269 -1.625 18824 6474 1 11 . 1 1 63 63 ASN CB C 63 36.328 36.328 38.303 -1.974 18824 6475 1 11 . 1 1 63 63 ASN H H 63 9.830 9.830 9.546 0.284 18824 6476 1 11 . 1 1 64 64 GLY N N 64 103.346 103.346 104.720 -1.374 18824 6477 1 11 . 1 1 64 64 GLY C C 64 173.276 173.276 172.712 0.564 18824 6478 1 11 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.041 0.002 18824 6479 1 11 . 1 1 64 64 GLY H H 64 9.222 9.222 7.536 1.686 18824 6480 1 11 . 1 1 65 65 GLU N N 65 119.230 119.230 120.633 -1.403 18824 6481 1 11 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.646 -0.157 18824 6482 1 11 . 1 1 65 65 GLU C C 65 174.745 174.745 174.784 -0.039 18824 6483 1 11 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.687 0.004 18824 6484 1 11 . 1 1 65 65 GLU CB C 65 30.802 30.802 33.024 -2.222 18824 6485 1 11 . 1 1 65 65 GLU H H 65 7.553 7.553 7.595 -0.042 18824 6486 1 11 . 1 1 66 66 ASN N N 66 123.478 123.478 125.220 -1.742 18824 6487 1 11 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.817 -0.129 18824 6488 1 11 . 1 1 66 66 ASN C C 66 176.144 176.144 175.971 0.173 18824 6489 1 11 . 1 1 66 66 ASN CA C 66 55.224 55.224 53.530 1.694 18824 6490 1 11 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.572 1.017 18824 6491 1 11 . 1 1 66 66 ASN H H 66 8.865 8.865 8.964 -0.099 18824 6492 1 11 . 1 1 67 67 VAL N N 67 117.695 117.695 120.215 -2.520 18824 6493 1 11 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.217 0.286 18824 6494 1 11 . 1 1 67 67 VAL C C 67 177.475 177.475 176.869 0.606 18824 6495 1 11 . 1 1 67 67 VAL CA C 67 59.756 59.756 62.569 -2.813 18824 6496 1 11 . 1 1 67 67 VAL CB C 67 31.321 31.321 31.760 -0.439 18824 6497 1 11 . 1 1 67 67 VAL H H 67 8.210 8.210 8.590 -0.380 18824 6498 1 11 . 1 1 68 68 GLU N N 68 122.899 122.899 120.881 2.018 18824 6499 1 11 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.173 -0.252 18824 6500 1 11 . 1 1 68 68 GLU C C 68 177.348 177.348 176.199 1.149 18824 6501 1 11 . 1 1 68 68 GLU CA C 68 59.762 59.762 57.564 2.198 18824 6502 1 11 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.175 2.035 18824 6503 1 11 . 1 1 68 68 GLU H H 68 8.427 8.427 7.951 0.476 18824 6504 1 11 . 1 1 69 69 LYS N N 69 113.848 113.848 116.982 -3.134 18824 6505 1 11 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.485 -0.071 18824 6506 1 11 . 1 1 69 69 LYS C C 69 176.510 176.510 175.615 0.895 18824 6507 1 11 . 1 1 69 69 LYS CA C 69 54.675 54.675 55.782 -1.107 18824 6508 1 11 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.918 -1.156 18824 6509 1 11 . 1 1 69 69 LYS H H 69 8.576 8.576 7.427 1.149 18824 6510 1 11 . 1 1 70 70 GLU N N 70 119.980 119.980 119.126 0.854 18824 6511 1 11 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.588 -0.227 18824 6512 1 11 . 1 1 70 70 GLU C C 70 176.831 176.831 174.276 2.555 18824 6513 1 11 . 1 1 70 70 GLU CA C 70 56.329 56.329 53.969 2.360 18824 6514 1 11 . 1 1 70 70 GLU CB C 70 31.293 31.293 33.453 -2.160 18824 6515 1 11 . 1 1 70 70 GLU H H 70 6.994 6.994 7.472 -0.478 18824 6516 1 11 . 1 1 71 71 THR N N 71 110.696 110.696 108.754 1.942 18824 6517 1 11 . 1 1 71 71 THR HA H 71 4.270 4.270 4.927 -0.657 18824 6518 1 11 . 1 1 71 71 THR C C 71 174.812 174.812 175.408 -0.596 18824 6519 1 11 . 1 1 71 71 THR CA C 71 60.267 60.267 59.617 0.650 18824 6520 1 11 . 1 1 71 71 THR CB C 71 71.497 71.497 71.714 -0.217 18824 6521 1 11 . 1 1 71 71 THR H H 71 8.675 8.675 8.040 0.635 18824 6522 1 11 . 1 1 72 72 HIS N N 72 118.876 118.876 120.891 -2.015 18824 6523 1 11 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.062 -0.478 18824 6524 1 11 . 1 1 72 72 HIS C C 72 175.802 175.802 176.792 -0.990 18824 6525 1 11 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.327 -0.610 18824 6526 1 11 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.783 -1.499 18824 6527 1 11 . 1 1 72 72 HIS H H 72 9.171 9.171 8.915 0.256 18824 6528 1 11 . 1 1 73 73 GLN N N 73 115.563 115.563 118.310 -2.747 18824 6529 1 11 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.051 -0.282 18824 6530 1 11 . 1 1 73 73 GLN C C 73 179.060 179.060 178.303 0.757 18824 6531 1 11 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.272 -0.529 18824 6532 1 11 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.212 -0.419 18824 6533 1 11 . 1 1 73 73 GLN H H 73 8.666 8.666 8.798 -0.132 18824 6534 1 11 . 1 1 74 74 GLN N N 74 119.687 119.687 119.128 0.559 18824 6535 1 11 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.090 -0.253 18824 6536 1 11 . 1 1 74 74 GLN C C 74 179.309 179.309 179.144 0.165 18824 6537 1 11 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.697 0.026 18824 6538 1 11 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.968 -0.214 18824 6539 1 11 . 1 1 74 74 GLN H H 74 7.614 7.614 7.649 -0.035 18824 6540 1 11 . 1 1 75 75 VAL N N 75 120.633 120.633 120.876 -0.243 18824 6541 1 11 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.634 -0.310 18824 6542 1 11 . 1 1 75 75 VAL C C 75 178.031 178.031 177.762 0.269 18824 6543 1 11 . 1 1 75 75 VAL CA C 75 67.423 67.423 66.728 0.695 18824 6544 1 11 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.166 -0.097 18824 6545 1 11 . 1 1 75 75 VAL H H 75 8.289 8.289 8.452 -0.163 18824 6546 1 11 . 1 1 76 76 VAL N N 76 118.966 118.966 120.244 -1.278 18824 6547 1 11 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.458 -0.130 18824 6548 1 11 . 1 1 76 76 VAL C C 76 178.739 178.739 177.766 0.973 18824 6549 1 11 . 1 1 76 76 VAL CA C 76 66.859 66.859 67.153 -0.294 18824 6550 1 11 . 1 1 76 76 VAL CB C 76 30.847 30.847 31.167 -0.320 18824 6551 1 11 . 1 1 76 76 VAL H H 76 8.364 8.364 8.162 0.202 18824 6552 1 11 . 1 1 77 77 SER N N 77 115.158 115.158 115.550 -0.392 18824 6553 1 11 . 1 1 77 77 SER HA H 77 3.994 3.994 4.112 -0.118 18824 6554 1 11 . 1 1 77 77 SER C C 77 176.849 176.849 176.853 -0.004 18824 6555 1 11 . 1 1 77 77 SER CA C 77 62.162 62.162 61.748 0.414 18824 6556 1 11 . 1 1 77 77 SER CB C 77 62.232 62.232 62.593 -0.361 18824 6557 1 11 . 1 1 77 77 SER H H 77 7.871 7.871 7.956 -0.085 18824 6558 1 11 . 1 1 78 78 ARG N N 78 121.310 121.310 121.965 -0.655 18824 6559 1 11 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.051 -0.129 18824 6560 1 11 . 1 1 78 78 ARG C C 78 179.309 179.309 178.843 0.466 18824 6561 1 11 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.975 -0.226 18824 6562 1 11 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.078 0.201 18824 6563 1 11 . 1 1 78 78 ARG H H 78 7.469 7.469 7.465 0.004 18824 6564 1 11 . 1 1 79 79 ILE N N 79 119.383 119.383 120.245 -0.862 18824 6565 1 11 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.711 -0.308 18824 6566 1 11 . 1 1 79 79 ILE C C 79 178.364 178.364 178.713 -0.349 18824 6567 1 11 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.698 -0.408 18824 6568 1 11 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.718 -0.494 18824 6569 1 11 . 1 1 79 79 ILE H H 79 7.759 7.759 8.412 -0.653 18824 6570 1 11 . 1 1 80 80 ARG N N 80 119.497 119.497 118.649 0.848 18824 6571 1 11 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.201 -0.223 18824 6572 1 11 . 1 1 80 80 ARG C C 80 177.544 177.544 177.451 0.093 18824 6573 1 11 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.037 1.693 18824 6574 1 11 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.104 0.724 18824 6575 1 11 . 1 1 80 80 ARG H H 80 8.407 8.407 8.123 0.284 18824 6576 1 11 . 1 1 81 81 ALA N N 81 118.814 118.814 119.919 -1.105 18824 6577 1 11 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.273 -0.212 18824 6578 1 11 . 1 1 81 81 ALA C C 81 177.473 177.473 177.559 -0.086 18824 6579 1 11 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.596 0.210 18824 6580 1 11 . 1 1 81 81 ALA CB C 81 18.604 18.604 18.874 -0.270 18824 6581 1 11 . 1 1 81 81 ALA H H 81 7.392 7.392 7.471 -0.079 18824 6582 1 11 . 1 1 82 82 ALA N N 82 121.771 121.771 120.978 0.793 18824 6583 1 11 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.187 0.123 18824 6584 1 11 . 1 1 82 82 ALA C C 82 177.384 177.384 177.491 -0.107 18824 6585 1 11 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.602 -0.999 18824 6586 1 11 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.517 -1.926 18824 6587 1 11 . 1 1 82 82 ALA H H 82 7.182 7.182 7.206 -0.024 18824 6588 1 11 . 1 1 83 83 LEU N N 83 122.357 122.357 123.334 -0.977 18824 6589 1 11 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.056 -0.065 18824 6590 1 11 . 1 1 83 83 LEU C C 83 177.366 177.366 177.920 -0.554 18824 6591 1 11 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.179 -0.202 18824 6592 1 11 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.204 -1.218 18824 6593 1 11 . 1 1 83 83 LEU H H 83 8.171 8.171 8.775 -0.604 18824 6594 1 11 . 1 1 84 84 ASN N N 84 114.897 114.897 112.414 2.483 18824 6595 1 11 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.787 -0.169 18824 6596 1 11 . 1 1 84 84 ASN C C 84 173.651 173.651 173.947 -0.296 18824 6597 1 11 . 1 1 84 84 ASN CA C 84 54.194 54.194 52.892 1.302 18824 6598 1 11 . 1 1 84 84 ASN CB C 84 39.903 39.903 39.761 0.142 18824 6599 1 11 . 1 1 84 84 ASN H H 84 8.565 8.565 8.213 0.352 18824 6600 1 11 . 1 1 85 85 ALA N N 85 124.026 124.026 121.110 2.916 18824 6601 1 11 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.035 0.036 18824 6602 1 11 . 1 1 85 85 ALA C C 85 175.751 175.751 174.832 0.919 18824 6603 1 11 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.619 0.491 18824 6604 1 11 . 1 1 85 85 ALA CB C 85 21.156 21.156 21.992 -0.836 18824 6605 1 11 . 1 1 85 85 ALA H H 85 7.808 7.808 7.474 0.334 18824 6606 1 11 . 1 1 86 86 VAL N N 86 116.130 116.130 120.175 -4.045 18824 6607 1 11 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.477 0.115 18824 6608 1 11 . 1 1 86 86 VAL C C 86 171.876 171.876 174.232 -2.356 18824 6609 1 11 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.373 0.374 18824 6610 1 11 . 1 1 86 86 VAL CB C 86 34.893 34.893 35.865 -0.972 18824 6611 1 11 . 1 1 86 86 VAL H H 86 8.432 8.432 8.993 -0.561 18824 6612 1 11 . 1 1 87 87 ARG N N 87 124.913 124.913 127.676 -2.763 18824 6613 1 11 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.648 0.350 18824 6614 1 11 . 1 1 87 87 ARG C C 87 175.316 175.316 175.194 0.122 18824 6615 1 11 . 1 1 87 87 ARG CA C 87 53.991 53.991 55.127 -1.136 18824 6616 1 11 . 1 1 87 87 ARG CB C 87 31.805 31.805 30.697 1.108 18824 6617 1 11 . 1 1 87 87 ARG H H 87 8.255 8.255 8.692 -0.437 18824 6618 1 11 . 1 1 88 88 LEU N N 88 125.141 125.141 126.195 -1.054 18824 6619 1 11 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.982 -0.032 18824 6620 1 11 . 1 1 88 88 LEU C C 88 173.836 173.836 175.252 -1.416 18824 6621 1 11 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.402 -1.021 18824 6622 1 11 . 1 1 88 88 LEU CB C 88 43.952 43.952 43.845 0.107 18824 6623 1 11 . 1 1 88 88 LEU H H 88 9.041 9.041 9.046 -0.005 18824 6624 1 11 . 1 1 89 89 LEU N N 89 126.927 126.927 128.630 -1.703 18824 6625 1 11 . 1 1 89 89 LEU HA H 89 5.177 5.177 5.071 0.106 18824 6626 1 11 . 1 1 89 89 LEU C C 89 175.726 175.726 174.938 0.788 18824 6627 1 11 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.669 0.040 18824 6628 1 11 . 1 1 89 89 LEU CB C 89 43.514 43.514 43.630 -0.116 18824 6629 1 11 . 1 1 89 89 LEU H H 89 8.484 8.484 8.588 -0.104 18824 6630 1 11 . 1 1 90 90 VAL N N 90 119.770 119.770 123.440 -3.670 18824 6631 1 11 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.503 -0.065 18824 6632 1 11 . 1 1 90 90 VAL C C 90 174.157 174.157 173.692 0.465 18824 6633 1 11 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.866 -0.895 18824 6634 1 11 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.594 1.262 18824 6635 1 11 . 1 1 90 90 VAL H H 90 9.001 9.001 8.023 0.978 18824 6636 1 11 . 1 1 91 91 VAL N N 91 112.698 112.698 119.375 -6.677 18824 6637 1 11 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.447 0.262 18824 6638 1 11 . 1 1 91 91 VAL C C 91 173.993 173.993 173.887 0.106 18824 6639 1 11 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.424 -0.441 18824 6640 1 11 . 1 1 91 91 VAL CB C 91 35.466 35.466 35.967 -0.501 18824 6641 1 11 . 1 1 91 91 VAL H H 91 8.011 8.011 8.392 -0.381 18824 6642 1 11 . 1 1 92 92 ASP N N 92 127.066 127.066 125.584 1.482 18824 6643 1 11 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.692 0.314 18824 6644 1 11 . 1 1 92 92 ASP CA C 92 53.078 53.078 53.471 -0.393 18824 6645 1 11 . 1 1 92 92 ASP CB C 92 39.764 39.764 41.855 -2.091 18824 6646 1 11 . 1 1 92 92 ASP H H 92 7.878 7.878 8.621 -0.743 18824 6647 1 11 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.272 0.131 18824 6648 1 11 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.494 0.370 18824 6649 1 11 . 1 1 93 93 PRO CB C 93 32.221 32.221 32.035 0.186 18824 6650 1 11 . 1 1 94 94 GLU N N 94 119.504 119.504 118.489 1.015 18824 6651 1 11 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.143 -0.093 18824 6652 1 11 . 1 1 94 94 GLU C C 94 179.182 179.182 178.866 0.316 18824 6653 1 11 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.467 -0.249 18824 6654 1 11 . 1 1 94 94 GLU CB C 94 28.950 28.950 29.084 -0.134 18824 6655 1 11 . 1 1 94 94 GLU H H 94 8.156 8.156 8.141 0.015 18824 6656 1 11 . 1 1 95 95 THR N N 95 120.651 120.651 116.951 3.700 18824 6657 1 11 . 1 1 95 95 THR HA H 95 3.751 3.751 4.055 -0.304 18824 6658 1 11 . 1 1 95 95 THR C C 95 175.888 175.888 176.287 -0.399 18824 6659 1 11 . 1 1 95 95 THR CA C 95 65.764 65.764 67.415 -1.651 18824 6660 1 11 . 1 1 95 95 THR CB C 95 67.338 67.338 68.530 -1.192 18824 6661 1 11 . 1 1 95 95 THR H H 95 8.315 8.315 8.816 -0.501 18824 6662 1 11 . 1 1 96 96 ASP N N 96 120.554 120.554 122.024 -1.470 18824 6663 1 11 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.320 -0.087 18824 6664 1 11 . 1 1 96 96 ASP C C 96 178.275 178.275 178.214 0.061 18824 6665 1 11 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.737 -1.516 18824 6666 1 11 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.831 0.207 18824 6667 1 11 . 1 1 96 96 ASP H H 96 8.381 8.381 8.716 -0.335 18824 6668 1 11 . 1 1 97 97 GLU N N 97 117.457 117.457 119.538 -2.081 18824 6669 1 11 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.977 -0.112 18824 6670 1 11 . 1 1 97 97 GLU C C 97 178.790 178.790 178.966 -0.176 18824 6671 1 11 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.616 -0.407 18824 6672 1 11 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.499 -0.453 18824 6673 1 11 . 1 1 97 97 GLU H H 97 7.727 7.727 7.698 0.029 18824 6674 1 11 . 1 1 98 98 GLN N N 98 118.704 118.704 118.655 0.049 18824 6675 1 11 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.101 -0.127 18824 6676 1 11 . 1 1 98 98 GLN C C 98 178.756 178.756 178.462 0.294 18824 6677 1 11 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.425 -0.185 18824 6678 1 11 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.542 -0.610 18824 6679 1 11 . 1 1 98 98 GLN H H 98 7.733 7.733 7.621 0.112 18824 6680 1 11 . 1 1 99 99 LEU N N 99 119.242 119.242 121.054 -1.812 18824 6681 1 11 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.840 0.074 18824 6682 1 11 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.592 0.127 18824 6683 1 11 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.728 -1.845 18824 6684 1 11 . 1 1 99 99 LEU H H 99 8.494 8.494 8.521 -0.027 18824 6685 1 11 . 1 1 100 100 GLN N N 100 118.689 118.689 116.990 1.699 18824 6686 1 11 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.075 -0.111 18824 6687 1 11 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.359 0.275 18824 6688 1 11 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.338 -0.620 18824 6689 1 11 . 1 1 100 100 GLN H H 100 8.202 8.202 8.451 -0.249 18824 6690 1 11 . 1 1 101 101 LYS N N 101 120.369 120.369 119.073 1.296 18824 6691 1 11 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.174 -0.240 18824 6692 1 11 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.501 0.241 18824 6693 1 11 . 1 1 101 101 LYS CB C 101 31.861 31.861 31.459 0.402 18824 6694 1 11 . 1 1 101 101 LYS H H 101 7.783 7.783 7.588 0.195 18824 6695 1 11 . 1 1 102 102 LEU N N 102 117.862 117.862 119.607 -1.745 18824 6696 1 11 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.300 -0.143 18824 6697 1 11 . 1 1 102 102 LEU C C 102 177.526 177.526 177.369 0.157 18824 6698 1 11 . 1 1 102 102 LEU CA C 102 55.174 55.174 54.761 0.413 18824 6699 1 11 . 1 1 102 102 LEU CB C 102 42.966 42.966 41.667 1.299 18824 6700 1 11 . 1 1 102 102 LEU H H 102 7.512 7.512 7.374 0.138 18824 6701 1 11 . 1 1 103 103 GLY N N 103 108.863 108.863 106.534 2.329 18824 6702 1 11 . 1 1 103 103 GLY C C 103 174.353 174.353 174.349 0.004 18824 6703 1 11 . 1 1 103 103 GLY CA C 103 45.565 45.565 45.110 0.455 18824 6704 1 11 . 1 1 103 103 GLY H H 103 7.851 7.851 7.544 0.307 18824 6705 1 11 . 1 1 104 104 VAL N N 104 120.506 120.506 121.050 -0.544 18824 6706 1 11 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.039 -0.187 18824 6707 1 11 . 1 1 104 104 VAL CA C 104 61.751 61.751 62.023 -0.272 18824 6708 1 11 . 1 1 104 104 VAL CB C 104 32.824 32.824 32.282 0.542 18824 6709 1 11 . 1 1 104 104 VAL H H 104 7.726 7.726 7.528 0.198 18824 6710 1 11 . 1 1 105 105 GLN N N 105 124.776 124.776 128.019 -3.243 18824 6711 1 11 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.462 -0.355 18824 6712 1 11 . 1 1 105 105 GLN CA C 105 55.170 55.170 54.925 0.245 18824 6713 1 11 . 1 1 105 105 GLN CB C 105 28.783 28.783 27.202 1.581 18824 6714 1 11 . 1 1 105 105 GLN H H 105 8.245 8.245 8.868 -0.623 18824 6715 1 11 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.797 -0.336 18824 6716 1 11 . 1 1 106 106 VAL C C 106 179.182 179.182 176.745 2.437 18824 6717 1 11 . 1 1 106 106 VAL CA C 106 64.553 64.553 64.719 -0.166 18824 6718 1 11 . 1 1 106 106 VAL CB C 106 30.309 30.309 32.082 -1.773 18824 6719 1 11 . 1 1 106 106 VAL H H 106 8.504 8.504 7.950 0.554 18824 6720 1 11 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.072 0.168 18824 6721 1 11 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.381 -0.762 18824 6722 1 11 . 1 1 108 108 GLU CA C 108 59.746 59.746 56.677 3.069 18824 6723 1 11 . 1 1 108 108 GLU CB C 108 29.234 29.234 31.333 -2.099 18824 6724 1 11 . 1 1 108 108 GLU H H 108 8.690 8.690 7.849 0.841 18824 6725 1 11 . 1 1 110 110 LEU HA H 110 4.042 4.042 3.951 0.091 18824 6726 1 11 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.685 -1.325 18824 6727 1 11 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.842 0.278 18824 6728 1 11 . 1 1 111 111 LEU N N 111 116.974 116.974 116.869 0.105 18824 6729 1 11 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.280 -0.197 18824 6730 1 11 . 1 1 111 111 LEU C C 111 177.598 177.598 178.587 -0.989 18824 6731 1 11 . 1 1 111 111 LEU CA C 111 55.628 55.628 56.687 -1.059 18824 6732 1 11 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.274 -0.297 18824 6733 1 11 . 1 1 111 111 LEU H H 111 7.791 7.791 7.176 0.615 18824 6734 1 11 . 1 1 112 112 ARG N N 112 119.231 119.231 119.990 -0.759 18824 6735 1 11 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.000 0.152 18824 6736 1 11 . 1 1 112 112 ARG C C 112 176.246 176.246 177.579 -1.333 18824 6737 1 11 . 1 1 112 112 ARG CA C 112 56.180 56.180 58.729 -2.549 18824 6738 1 11 . 1 1 112 112 ARG CB C 112 30.340 30.340 30.469 -0.129 18824 6739 1 11 . 1 1 112 112 ARG H H 112 7.528 7.528 7.832 -0.303 18824 6740 1 11 . 1 1 113 113 ALA N N 113 123.896 123.896 120.710 3.186 18824 6741 1 11 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.145 -0.006 18824 6742 1 11 . 1 1 113 113 ALA C C 113 177.783 177.783 178.371 -0.588 18824 6743 1 11 . 1 1 113 113 ALA CA C 113 52.649 52.649 53.804 -1.155 18824 6744 1 11 . 1 1 113 113 ALA CB C 113 18.618 18.618 19.517 -0.899 18824 6745 1 11 . 1 1 113 113 ALA H H 113 7.954 7.954 7.448 0.506 18824 6746 1 11 . 1 1 114 114 GLN N N 114 118.555 118.555 118.857 -0.302 18824 6747 1 11 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.348 -0.189 18824 6748 1 11 . 1 1 114 114 GLN C C 114 175.815 175.815 174.920 0.895 18824 6749 1 11 . 1 1 114 114 GLN CA C 114 55.551 55.551 54.161 1.390 18824 6750 1 11 . 1 1 114 114 GLN CB C 114 29.023 29.023 28.258 0.765 18824 6751 1 11 . 1 1 114 114 GLN H H 114 8.121 8.121 7.783 0.338 18824 6752 1 11 . 1 1 115 115 GLU N N 115 121.589 121.589 124.226 -2.637 18824 6753 1 11 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.267 -0.137 18824 6754 1 11 . 1 1 115 115 GLU C C 115 175.637 175.637 176.044 -0.407 18824 6755 1 11 . 1 1 115 115 GLU CA C 115 55.779 55.779 56.133 -0.354 18824 6756 1 11 . 1 1 115 115 GLU CB C 115 30.038 30.038 29.123 0.915 18824 6757 1 11 . 1 1 115 115 GLU H H 115 8.164 8.164 8.489 -0.325 18824 6758 1 11 . 1 1 116 116 ALA N N 116 126.435 126.435 130.441 -4.006 18824 6759 1 11 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.477 -0.018 18824 6760 1 11 . 1 1 116 116 ALA CA C 116 50.094 50.094 49.752 0.342 18824 6761 1 11 . 1 1 116 116 ALA CB C 116 17.622 17.622 18.727 -1.105 18824 6762 1 11 . 1 1 116 116 ALA H H 116 8.266 8.266 8.386 -0.120 18824 6763 1 11 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.502 -0.198 18824 6764 1 11 . 1 1 117 117 PRO C C 117 177.580 177.580 176.780 0.800 18824 6765 1 11 . 1 1 117 117 PRO CA C 117 62.789 62.789 62.755 0.034 18824 6766 1 11 . 1 1 117 117 PRO CB C 117 31.812 31.812 31.062 0.750 18824 6767 1 11 . 1 1 118 118 GLY N N 118 109.304 109.304 111.215 -1.911 18824 6768 1 11 . 1 1 118 118 GLY C C 118 173.872 173.872 174.736 -0.864 18824 6769 1 11 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.672 -0.658 18824 6770 1 11 . 1 1 118 118 GLY H H 118 8.425 8.425 8.319 0.106 18824 6771 1 11 . 1 1 119 119 GLN N N 119 120.070 120.070 118.446 1.624 18824 6772 1 11 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.416 -0.202 18824 6773 1 11 . 1 1 119 119 GLN C C 119 174.692 174.692 174.754 -0.062 18824 6774 1 11 . 1 1 119 119 GLN CA C 119 55.442 55.442 55.515 -0.073 18824 6775 1 11 . 1 1 119 119 GLN CB C 119 29.308 29.308 28.937 0.371 18824 6776 1 11 . 1 1 119 119 GLN H H 119 8.081 8.081 8.179 -0.098 18824 6777 1 12 . 1 1 5 5 ILE N N 5 119.691 119.691 123.044 -3.353 18824 6778 1 12 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.296 -0.238 18824 6779 1 12 . 1 1 5 5 ILE C C 5 175.649 175.649 175.523 0.126 18824 6780 1 12 . 1 1 5 5 ILE CA C 5 60.596 60.596 60.813 -0.217 18824 6781 1 12 . 1 1 5 5 ILE CB C 5 38.674 38.674 39.535 -0.861 18824 6782 1 12 . 1 1 5 5 ILE H H 5 8.370 8.370 8.111 0.259 18824 6783 1 12 . 1 1 6 6 ASP N N 6 126.564 126.564 124.149 2.415 18824 6784 1 12 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.867 -0.177 18824 6785 1 12 . 1 1 6 6 ASP CA C 6 52.261 52.261 51.570 0.691 18824 6786 1 12 . 1 1 6 6 ASP CB C 6 40.555 40.555 41.112 -0.557 18824 6787 1 12 . 1 1 6 6 ASP H H 6 8.373 8.373 8.461 -0.088 18824 6788 1 12 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.062 0.098 18824 6789 1 12 . 1 1 7 7 PRO C C 7 176.417 176.417 175.146 1.271 18824 6790 1 12 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.796 -0.745 18824 6791 1 12 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.239 -0.559 18824 6792 1 12 . 1 1 8 8 PHE N N 8 117.858 117.858 112.481 5.377 18824 6793 1 12 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.619 -0.075 18824 6794 1 12 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.400 -0.147 18824 6795 1 12 . 1 1 8 8 PHE CB C 8 38.444 38.444 42.156 -3.712 18824 6796 1 12 . 1 1 8 8 PHE H H 8 7.974 7.974 7.444 0.530 18824 6797 1 12 . 1 1 9 9 THR N N 9 112.459 112.459 116.667 -4.208 18824 6798 1 12 . 1 1 9 9 THR HA H 9 4.338 4.338 4.478 -0.140 18824 6799 1 12 . 1 1 9 9 THR C C 9 175.888 175.888 173.627 2.261 18824 6800 1 12 . 1 1 9 9 THR CA C 9 60.827 60.827 62.462 -1.635 18824 6801 1 12 . 1 1 9 9 THR CB C 9 69.387 69.387 69.677 -0.290 18824 6802 1 12 . 1 1 9 9 THR H H 9 7.927 7.927 8.327 -0.400 18824 6803 1 12 . 1 1 10 10 MET N N 10 121.338 121.338 123.817 -2.479 18824 6804 1 12 . 1 1 10 10 MET HA H 10 4.310 4.310 4.748 -0.438 18824 6805 1 12 . 1 1 10 10 MET C C 10 174.386 174.386 174.288 0.098 18824 6806 1 12 . 1 1 10 10 MET CA C 10 52.415 52.415 54.206 -1.791 18824 6807 1 12 . 1 1 10 10 MET H H 10 7.648 7.648 8.081 -0.433 18824 6808 1 12 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.896 -0.206 18824 6809 1 12 . 1 1 11 11 LEU CA C 11 52.606 52.606 51.915 0.691 18824 6810 1 12 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.025 4.054 18824 6811 1 12 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.731 -0.114 18824 6812 1 12 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.358 -0.093 18824 6813 1 12 . 1 1 12 12 PRO CB C 12 31.826 31.826 33.636 -1.810 18824 6814 1 12 . 1 1 13 13 ARG N N 13 118.005 118.005 118.149 -0.144 18824 6815 1 12 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.625 -0.241 18824 6816 1 12 . 1 1 13 13 ARG C C 13 173.498 173.498 175.122 -1.624 18824 6817 1 12 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.451 0.224 18824 6818 1 12 . 1 1 13 13 ARG CB C 13 32.565 32.565 32.633 -0.068 18824 6819 1 12 . 1 1 13 13 ARG H H 13 8.484 8.484 8.223 0.261 18824 6820 1 12 . 1 1 14 14 LEU N N 14 124.897 124.897 124.466 0.431 18824 6821 1 12 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.377 0.491 18824 6822 1 12 . 1 1 14 14 LEU C C 14 176.144 176.144 175.521 0.623 18824 6823 1 12 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.586 -1.539 18824 6824 1 12 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.313 0.644 18824 6825 1 12 . 1 1 14 14 LEU H H 14 8.520 8.520 8.731 -0.211 18824 6826 1 12 . 1 1 15 15 CYS N N 15 127.167 127.167 128.838 -1.671 18824 6827 1 12 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.601 -0.010 18824 6828 1 12 . 1 1 15 15 CYS C C 15 173.408 173.408 173.779 -0.371 18824 6829 1 12 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.056 -0.602 18824 6830 1 12 . 1 1 15 15 CYS CB C 15 29.325 29.325 26.544 2.781 18824 6831 1 12 . 1 1 15 15 CYS H H 15 9.247 9.247 9.053 0.194 18824 6832 1 12 . 1 1 16 16 CYS N N 16 125.133 125.133 126.301 -1.168 18824 6833 1 12 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.242 -0.506 18824 6834 1 12 . 1 1 16 16 CYS C C 16 172.784 172.784 174.490 -1.706 18824 6835 1 12 . 1 1 16 16 CYS CA C 16 58.040 58.040 58.343 -0.303 18824 6836 1 12 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.201 0.041 18824 6837 1 12 . 1 1 16 16 CYS H H 16 9.049 9.049 8.922 0.127 18824 6838 1 12 . 1 1 17 17 LEU N N 17 124.624 124.624 122.371 2.253 18824 6839 1 12 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.948 -0.296 18824 6840 1 12 . 1 1 17 17 LEU C C 17 175.672 175.672 175.127 0.545 18824 6841 1 12 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.218 2.006 18824 6842 1 12 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.402 -0.360 18824 6843 1 12 . 1 1 17 17 LEU H H 17 8.750 8.750 8.235 0.515 18824 6844 1 12 . 1 1 18 18 GLU N N 18 121.610 121.610 119.847 1.763 18824 6845 1 12 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.750 0.010 18824 6846 1 12 . 1 1 18 18 GLU C C 18 175.548 175.548 175.937 -0.389 18824 6847 1 12 . 1 1 18 18 GLU CA C 18 54.861 54.861 54.895 -0.034 18824 6848 1 12 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.869 -0.557 18824 6849 1 12 . 1 1 18 18 GLU H H 18 8.304 8.304 8.528 -0.224 18824 6850 1 12 . 1 1 19 19 LYS N N 19 123.922 123.922 126.429 -2.507 18824 6851 1 12 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.725 -0.615 18824 6852 1 12 . 1 1 19 19 LYS C C 19 176.635 176.635 176.433 0.202 18824 6853 1 12 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.588 1.900 18824 6854 1 12 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.679 -0.354 18824 6855 1 12 . 1 1 19 19 LYS H H 19 8.131 8.131 8.698 -0.567 18824 6856 1 12 . 1 1 20 20 GLY N N 20 112.282 112.282 114.460 -2.178 18824 6857 1 12 . 1 1 20 20 GLY CA C 20 44.045 44.045 43.346 0.699 18824 6858 1 12 . 1 1 20 20 GLY H H 20 6.955 6.955 8.661 -1.706 18824 6859 1 12 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.358 -0.181 18824 6860 1 12 . 1 1 21 21 PRO C C 21 177.081 177.081 176.760 0.321 18824 6861 1 12 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.476 -0.154 18824 6862 1 12 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.632 -0.051 18824 6863 1 12 . 1 1 22 22 ASN N N 22 114.637 114.637 116.566 -1.929 18824 6864 1 12 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.784 0.135 18824 6865 1 12 . 1 1 22 22 ASN C C 22 175.102 175.102 175.629 -0.527 18824 6866 1 12 . 1 1 22 22 ASN CA C 22 51.618 51.618 53.160 -1.542 18824 6867 1 12 . 1 1 22 22 ASN CB C 22 38.930 38.930 38.747 0.183 18824 6868 1 12 . 1 1 22 22 ASN H H 22 8.462 8.462 8.070 0.392 18824 6869 1 12 . 1 1 23 23 GLY N N 23 107.193 107.193 108.424 -1.231 18824 6870 1 12 . 1 1 23 23 GLY C C 23 174.932 174.932 173.591 1.341 18824 6871 1 12 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.739 -1.313 18824 6872 1 12 . 1 1 23 23 GLY H H 23 7.499 7.499 8.106 -0.607 18824 6873 1 12 . 1 1 24 24 TYR N N 24 119.910 119.910 123.491 -3.581 18824 6874 1 12 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.845 -0.536 18824 6875 1 12 . 1 1 24 24 TYR C C 24 177.188 177.188 175.870 1.318 18824 6876 1 12 . 1 1 24 24 TYR CA C 24 60.745 60.745 57.485 3.260 18824 6877 1 12 . 1 1 24 24 TYR CB C 24 40.447 40.447 40.594 -0.147 18824 6878 1 12 . 1 1 24 24 TYR H H 24 8.894 8.894 8.396 0.498 18824 6879 1 12 . 1 1 25 25 GLY N N 25 104.016 104.016 105.780 -1.764 18824 6880 1 12 . 1 1 25 25 GLY C C 25 173.020 173.020 173.205 -0.185 18824 6881 1 12 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.425 0.096 18824 6882 1 12 . 1 1 25 25 GLY H H 25 8.394 8.394 8.384 0.010 18824 6883 1 12 . 1 1 26 26 PHE N N 26 110.891 110.891 116.131 -5.240 18824 6884 1 12 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.693 -0.054 18824 6885 1 12 . 1 1 26 26 PHE C C 26 172.250 172.250 173.661 -1.411 18824 6886 1 12 . 1 1 26 26 PHE CA C 26 54.106 54.106 55.020 -0.914 18824 6887 1 12 . 1 1 26 26 PHE CB C 26 41.690 41.690 42.256 -0.566 18824 6888 1 12 . 1 1 26 26 PHE H H 26 6.711 6.711 7.474 -0.763 18824 6889 1 12 . 1 1 27 27 HIS N N 27 118.261 118.261 118.876 -0.615 18824 6890 1 12 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.827 -0.043 18824 6891 1 12 . 1 1 27 27 HIS C C 27 174.659 174.659 173.570 1.089 18824 6892 1 12 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.203 -0.646 18824 6893 1 12 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.725 -0.881 18824 6894 1 12 . 1 1 27 27 HIS H H 27 7.964 7.964 9.264 -1.300 18824 6895 1 12 . 1 1 28 28 LEU N N 28 125.694 125.694 124.319 1.375 18824 6896 1 12 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.289 0.196 18824 6897 1 12 . 1 1 28 28 LEU C C 28 176.849 176.849 175.634 1.215 18824 6898 1 12 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.516 0.147 18824 6899 1 12 . 1 1 28 28 LEU CB C 28 45.031 45.031 45.665 -0.634 18824 6900 1 12 . 1 1 28 28 LEU H H 28 9.554 9.554 8.732 0.822 18824 6901 1 12 . 1 1 29 29 HIS N N 29 119.263 119.263 119.272 -0.009 18824 6902 1 12 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.188 -0.427 18824 6903 1 12 . 1 1 29 29 HIS C C 29 173.447 173.447 173.831 -0.384 18824 6904 1 12 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.899 1.892 18824 6905 1 12 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.343 -0.506 18824 6906 1 12 . 1 1 29 29 HIS H H 29 9.625 9.625 9.605 0.020 18824 6907 1 12 . 1 1 30 30 GLY N N 30 110.254 110.254 109.799 0.455 18824 6908 1 12 . 1 1 30 30 GLY C C 30 172.917 172.917 174.332 -1.415 18824 6909 1 12 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.311 -0.328 18824 6910 1 12 . 1 1 30 30 GLY H H 30 8.403 8.403 8.666 -0.263 18824 6911 1 12 . 1 1 31 31 GLU N N 31 119.753 119.753 123.145 -3.392 18824 6912 1 12 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.296 -0.013 18824 6913 1 12 . 1 1 31 31 GLU C C 31 175.939 175.939 176.428 -0.489 18824 6914 1 12 . 1 1 31 31 GLU CA C 31 54.431 54.431 55.898 -1.467 18824 6915 1 12 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.883 1.460 18824 6916 1 12 . 1 1 31 31 GLU H H 31 9.060 9.060 8.599 0.461 18824 6917 1 12 . 1 1 32 32 LYS N N 32 124.046 124.046 122.746 1.300 18824 6918 1 12 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.085 -0.171 18824 6919 1 12 . 1 1 32 32 LYS C C 32 177.776 177.776 177.324 0.452 18824 6920 1 12 . 1 1 32 32 LYS CA C 32 57.714 57.714 57.554 0.160 18824 6921 1 12 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.233 -0.402 18824 6922 1 12 . 1 1 32 32 LYS H H 32 8.424 8.424 8.549 -0.125 18824 6923 1 12 . 1 1 33 33 GLY N N 33 113.177 113.177 114.509 -1.332 18824 6924 1 12 . 1 1 33 33 GLY C C 33 173.408 173.408 173.526 -0.118 18824 6925 1 12 . 1 1 33 33 GLY CA C 33 45.033 45.033 45.192 -0.159 18824 6926 1 12 . 1 1 33 33 GLY H H 33 8.856 8.856 8.922 -0.066 18824 6927 1 12 . 1 1 34 34 LYS N N 34 118.719 118.719 118.616 0.103 18824 6928 1 12 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.733 -0.093 18824 6929 1 12 . 1 1 34 34 LYS C C 34 176.528 176.528 174.956 1.572 18824 6930 1 12 . 1 1 34 34 LYS CA C 34 54.557 54.557 54.958 -0.401 18824 6931 1 12 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.884 0.979 18824 6932 1 12 . 1 1 34 34 LYS H H 34 7.790 7.790 7.951 -0.161 18824 6933 1 12 . 1 1 35 35 LEU N N 35 124.084 124.084 114.997 9.087 18824 6934 1 12 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.840 -0.355 18824 6935 1 12 . 1 1 35 35 LEU C C 35 177.646 177.646 176.754 0.892 18824 6936 1 12 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.844 -0.182 18824 6937 1 12 . 1 1 35 35 LEU CB C 35 42.676 42.676 43.897 -1.221 18824 6938 1 12 . 1 1 35 35 LEU H H 35 8.759 8.759 8.623 0.136 18824 6939 1 12 . 1 1 36 36 GLY N N 36 110.962 110.962 106.469 4.493 18824 6940 1 12 . 1 1 36 36 GLY C C 36 173.070 173.070 172.636 0.434 18824 6941 1 12 . 1 1 36 36 GLY CA C 36 44.526 44.526 43.498 1.028 18824 6942 1 12 . 1 1 36 36 GLY H H 36 8.533 8.533 7.505 1.028 18824 6943 1 12 . 1 1 37 37 GLN N N 37 117.136 117.136 117.236 -0.100 18824 6944 1 12 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.647 -0.158 18824 6945 1 12 . 1 1 37 37 GLN C C 37 173.925 173.925 174.766 -0.841 18824 6946 1 12 . 1 1 37 37 GLN CA C 37 53.806 53.806 54.374 -0.568 18824 6947 1 12 . 1 1 37 37 GLN CB C 37 31.843 31.843 32.357 -0.514 18824 6948 1 12 . 1 1 37 37 GLN H H 37 8.885 8.885 7.947 0.938 18824 6949 1 12 . 1 1 38 38 TYR N N 38 119.053 119.053 118.353 0.700 18824 6950 1 12 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.101 0.094 18824 6951 1 12 . 1 1 38 38 TYR C C 38 176.110 176.110 175.472 0.638 18824 6952 1 12 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.340 -1.110 18824 6953 1 12 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.308 -0.326 18824 6954 1 12 . 1 1 38 38 TYR H H 38 8.719 8.719 8.940 -0.221 18824 6955 1 12 . 1 1 39 39 ILE N N 39 120.624 120.624 122.206 -1.582 18824 6956 1 12 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.516 -0.266 18824 6957 1 12 . 1 1 39 39 ILE C C 39 175.797 175.797 176.804 -1.007 18824 6958 1 12 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.093 -1.862 18824 6959 1 12 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.565 -1.171 18824 6960 1 12 . 1 1 39 39 ILE H H 39 9.208 9.208 8.735 0.473 18824 6961 1 12 . 1 1 40 40 ARG N N 40 130.372 130.372 128.948 1.424 18824 6962 1 12 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.147 -0.060 18824 6963 1 12 . 1 1 40 40 ARG C C 40 174.846 174.846 175.732 -0.886 18824 6964 1 12 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.324 0.286 18824 6965 1 12 . 1 1 40 40 ARG CB C 40 31.315 31.315 32.063 -0.748 18824 6966 1 12 . 1 1 40 40 ARG H H 40 9.240 9.240 9.234 0.006 18824 6967 1 12 . 1 1 41 41 LEU N N 41 116.642 116.642 117.947 -1.305 18824 6968 1 12 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.694 -0.336 18824 6969 1 12 . 1 1 41 41 LEU C C 41 173.658 173.658 174.450 -0.792 18824 6970 1 12 . 1 1 41 41 LEU CA C 41 54.685 54.685 55.228 -0.543 18824 6971 1 12 . 1 1 41 41 LEU CB C 41 45.215 45.215 46.054 -0.839 18824 6972 1 12 . 1 1 41 41 LEU H H 41 7.130 7.130 7.837 -0.707 18824 6973 1 12 . 1 1 42 42 VAL N N 42 125.934 125.934 121.902 4.032 18824 6974 1 12 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.955 -0.600 18824 6975 1 12 . 1 1 42 42 VAL C C 42 175.548 175.548 175.687 -0.139 18824 6976 1 12 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.540 0.713 18824 6977 1 12 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.851 -0.628 18824 6978 1 12 . 1 1 42 42 VAL H H 42 8.731 8.731 8.410 0.321 18824 6979 1 12 . 1 1 43 43 GLU N N 43 128.285 128.285 127.735 0.550 18824 6980 1 12 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.709 -0.388 18824 6981 1 12 . 1 1 43 43 GLU CA C 43 54.660 54.660 53.506 1.154 18824 6982 1 12 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.757 -1.028 18824 6983 1 12 . 1 1 43 43 GLU H H 43 9.102 9.102 9.125 -0.023 18824 6984 1 12 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.180 0.260 18824 6985 1 12 . 1 1 44 44 PRO C C 44 178.222 178.222 177.073 1.149 18824 6986 1 12 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.670 -0.372 18824 6987 1 12 . 1 1 44 44 PRO CB C 44 31.388 31.388 30.967 0.421 18824 6988 1 12 . 1 1 45 45 GLY N N 45 113.166 113.166 114.466 -1.300 18824 6989 1 12 . 1 1 45 45 GLY C C 45 173.515 173.515 173.634 -0.119 18824 6990 1 12 . 1 1 45 45 GLY CA C 45 45.525 45.525 45.085 0.440 18824 6991 1 12 . 1 1 45 45 GLY H H 45 9.416 9.416 9.188 0.228 18824 6992 1 12 . 1 1 46 46 SER N N 46 114.219 114.219 116.196 -1.977 18824 6993 1 12 . 1 1 46 46 SER HA H 46 4.670 4.670 5.077 -0.407 18824 6994 1 12 . 1 1 46 46 SER CA C 46 57.103 57.103 55.581 1.522 18824 6995 1 12 . 1 1 46 46 SER CB C 46 64.458 64.458 64.298 0.160 18824 6996 1 12 . 1 1 46 46 SER H H 46 7.422 7.422 8.164 -0.742 18824 6997 1 12 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.675 -0.388 18824 6998 1 12 . 1 1 47 47 PRO C C 47 179.487 179.487 177.124 2.363 18824 6999 1 12 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.427 0.910 18824 7000 1 12 . 1 1 47 47 PRO CB C 47 32.339 32.339 32.433 -0.094 18824 7001 1 12 . 1 1 48 48 ALA N N 48 116.941 116.941 122.470 -5.529 18824 7002 1 12 . 1 1 48 48 ALA HA H 48 3.808 3.808 4.107 -0.299 18824 7003 1 12 . 1 1 48 48 ALA C C 48 177.063 177.063 179.036 -1.973 18824 7004 1 12 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.143 -0.033 18824 7005 1 12 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.972 1.202 18824 7006 1 12 . 1 1 48 48 ALA H H 48 7.855 7.855 7.586 0.269 18824 7007 1 12 . 1 1 49 49 GLU N N 49 120.064 120.064 117.423 2.641 18824 7008 1 12 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.341 -0.487 18824 7009 1 12 . 1 1 49 49 GLU C C 49 181.038 181.038 178.453 2.585 18824 7010 1 12 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.521 0.660 18824 7011 1 12 . 1 1 49 49 GLU CB C 49 29.670 29.670 28.904 0.766 18824 7012 1 12 . 1 1 49 49 GLU H H 49 7.732 7.732 7.856 -0.124 18824 7013 1 12 . 1 1 50 50 LYS N N 50 120.570 120.570 119.317 1.253 18824 7014 1 12 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.067 -0.143 18824 7015 1 12 . 1 1 50 50 LYS C C 50 177.580 177.580 177.597 -0.017 18824 7016 1 12 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.752 0.028 18824 7017 1 12 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.190 -0.386 18824 7018 1 12 . 1 1 50 50 LYS H H 50 8.156 8.156 8.215 -0.059 18824 7019 1 12 . 1 1 51 51 ALA N N 51 117.482 117.482 116.789 0.693 18824 7020 1 12 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.242 0.066 18824 7021 1 12 . 1 1 51 51 ALA C C 51 177.509 177.509 176.986 0.523 18824 7022 1 12 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.727 -0.609 18824 7023 1 12 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.479 0.716 18824 7024 1 12 . 1 1 51 51 ALA H H 51 7.730 7.730 7.411 0.319 18824 7025 1 12 . 1 1 52 52 GLY N N 52 103.549 103.549 104.754 -1.205 18824 7026 1 12 . 1 1 52 52 GLY C C 52 174.888 174.888 174.486 0.402 18824 7027 1 12 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.628 0.395 18824 7028 1 12 . 1 1 52 52 GLY H H 52 7.513 7.513 7.556 -0.043 18824 7029 1 12 . 1 1 53 53 LEU N N 53 120.806 120.806 122.248 -1.442 18824 7030 1 12 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.296 -0.440 18824 7031 1 12 . 1 1 53 53 LEU C C 53 174.692 174.692 175.463 -0.771 18824 7032 1 12 . 1 1 53 53 LEU CA C 53 55.190 55.190 55.635 -0.445 18824 7033 1 12 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.247 0.747 18824 7034 1 12 . 1 1 53 53 LEU H H 53 7.420 7.420 7.836 -0.416 18824 7035 1 12 . 1 1 54 54 LEU N N 54 122.726 122.726 124.898 -2.172 18824 7036 1 12 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.669 -0.164 18824 7037 1 12 . 1 1 54 54 LEU C C 54 176.350 176.350 175.382 0.968 18824 7038 1 12 . 1 1 54 54 LEU CA C 54 52.981 52.981 53.406 -0.425 18824 7039 1 12 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.276 -0.712 18824 7040 1 12 . 1 1 54 54 LEU H H 54 8.546 8.546 7.684 0.862 18824 7041 1 12 . 1 1 55 55 ALA N N 55 122.735 122.735 126.515 -3.780 18824 7042 1 12 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.367 -0.636 18824 7043 1 12 . 1 1 55 55 ALA C C 55 179.077 179.077 177.323 1.754 18824 7044 1 12 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.202 -0.202 18824 7045 1 12 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.782 -0.714 18824 7046 1 12 . 1 1 55 55 ALA H H 55 8.551 8.551 8.650 -0.099 18824 7047 1 12 . 1 1 56 56 GLY N N 56 112.553 112.553 112.439 0.114 18824 7048 1 12 . 1 1 56 56 GLY C C 56 174.638 174.638 174.258 0.380 18824 7049 1 12 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.032 -0.551 18824 7050 1 12 . 1 1 56 56 GLY H H 56 9.450 9.450 8.286 1.164 18824 7051 1 12 . 1 1 57 57 ASP N N 57 121.912 121.912 123.983 -2.071 18824 7052 1 12 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.542 0.005 18824 7053 1 12 . 1 1 57 57 ASP C C 57 174.539 174.539 174.771 -0.232 18824 7054 1 12 . 1 1 57 57 ASP CA C 57 55.157 55.157 56.535 -1.378 18824 7055 1 12 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.398 0.086 18824 7056 1 12 . 1 1 57 57 ASP H H 57 7.948 7.948 8.053 -0.105 18824 7057 1 12 . 1 1 58 58 ARG N N 58 122.512 122.512 124.205 -1.693 18824 7058 1 12 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.571 -0.590 18824 7059 1 12 . 1 1 58 58 ARG C C 58 175.512 175.512 174.975 0.537 18824 7060 1 12 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.940 -0.771 18824 7061 1 12 . 1 1 58 58 ARG CB C 58 32.435 32.435 31.814 0.621 18824 7062 1 12 . 1 1 58 58 ARG H H 58 8.570 8.570 8.833 -0.263 18824 7063 1 12 . 1 1 59 59 LEU N N 59 126.506 126.506 128.407 -1.901 18824 7064 1 12 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.437 -0.378 18824 7065 1 12 . 1 1 59 59 LEU C C 59 174.420 174.420 175.210 -0.790 18824 7066 1 12 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.054 0.124 18824 7067 1 12 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.408 0.067 18824 7068 1 12 . 1 1 59 59 LEU H H 59 7.917 7.917 8.476 -0.559 18824 7069 1 12 . 1 1 60 60 VAL N N 60 124.914 124.914 126.007 -1.093 18824 7070 1 12 . 1 1 60 60 VAL HA H 60 3.910 3.910 3.992 -0.082 18824 7071 1 12 . 1 1 60 60 VAL CA C 60 63.788 63.788 63.763 0.025 18824 7072 1 12 . 1 1 60 60 VAL CB C 60 32.805 32.805 32.817 -0.012 18824 7073 1 12 . 1 1 60 60 VAL H H 60 8.781 8.781 9.149 -0.368 18824 7074 1 12 . 1 1 61 61 GLU N N 61 112.868 112.868 118.706 -5.838 18824 7075 1 12 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.134 0.078 18824 7076 1 12 . 1 1 61 61 GLU C C 61 175.717 175.717 174.207 1.510 18824 7077 1 12 . 1 1 61 61 GLU CA C 61 54.186 54.186 54.886 -0.700 18824 7078 1 12 . 1 1 61 61 GLU CB C 61 34.458 34.458 34.152 0.306 18824 7079 1 12 . 1 1 61 61 GLU H H 61 7.332 7.332 7.834 -0.502 18824 7080 1 12 . 1 1 62 62 VAL N N 62 118.357 118.357 123.816 -5.459 18824 7081 1 12 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.490 -0.168 18824 7082 1 12 . 1 1 62 62 VAL C C 62 175.495 175.495 175.755 -0.260 18824 7083 1 12 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.571 0.179 18824 7084 1 12 . 1 1 62 62 VAL CB C 62 33.376 33.376 33.820 -0.444 18824 7085 1 12 . 1 1 62 62 VAL H H 62 8.342 8.342 8.894 -0.552 18824 7086 1 12 . 1 1 63 63 ASN N N 63 129.063 129.063 127.772 1.291 18824 7087 1 12 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.304 -0.125 18824 7088 1 12 . 1 1 63 63 ASN C C 63 175.051 175.051 175.821 -0.770 18824 7089 1 12 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.445 -0.801 18824 7090 1 12 . 1 1 63 63 ASN CB C 63 36.328 36.328 37.502 -1.174 18824 7091 1 12 . 1 1 63 63 ASN H H 63 9.830 9.830 9.545 0.285 18824 7092 1 12 . 1 1 64 64 GLY N N 64 103.346 103.346 104.413 -1.067 18824 7093 1 12 . 1 1 64 64 GLY C C 64 173.276 173.276 173.227 0.049 18824 7094 1 12 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.400 -0.357 18824 7095 1 12 . 1 1 64 64 GLY H H 64 9.222 9.222 8.997 0.225 18824 7096 1 12 . 1 1 65 65 GLU N N 65 119.230 119.230 119.553 -0.323 18824 7097 1 12 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.575 -0.086 18824 7098 1 12 . 1 1 65 65 GLU C C 65 174.745 174.745 174.829 -0.084 18824 7099 1 12 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.099 0.593 18824 7100 1 12 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.508 -1.706 18824 7101 1 12 . 1 1 65 65 GLU H H 65 7.553 7.553 7.469 0.084 18824 7102 1 12 . 1 1 66 66 ASN N N 66 123.478 123.478 125.260 -1.782 18824 7103 1 12 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.664 0.024 18824 7104 1 12 . 1 1 66 66 ASN C C 66 176.144 176.144 175.391 0.753 18824 7105 1 12 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.197 1.027 18824 7106 1 12 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.471 1.118 18824 7107 1 12 . 1 1 66 66 ASN H H 66 8.865 8.865 8.893 -0.028 18824 7108 1 12 . 1 1 67 67 VAL N N 67 117.695 117.695 119.001 -1.306 18824 7109 1 12 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.618 -0.115 18824 7110 1 12 . 1 1 67 67 VAL C C 67 177.475 177.475 176.877 0.598 18824 7111 1 12 . 1 1 67 67 VAL CA C 67 59.756 59.756 60.472 -0.716 18824 7112 1 12 . 1 1 67 67 VAL CB C 67 31.321 31.321 31.962 -0.641 18824 7113 1 12 . 1 1 67 67 VAL H H 67 8.210 8.210 8.401 -0.191 18824 7114 1 12 . 1 1 68 68 GLU N N 68 122.899 122.899 121.621 1.278 18824 7115 1 12 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.050 -0.129 18824 7116 1 12 . 1 1 68 68 GLU C C 68 177.348 177.348 176.561 0.787 18824 7117 1 12 . 1 1 68 68 GLU CA C 68 59.762 59.762 59.171 0.591 18824 7118 1 12 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.961 1.249 18824 7119 1 12 . 1 1 68 68 GLU H H 68 8.427 8.427 7.796 0.631 18824 7120 1 12 . 1 1 69 69 LYS N N 69 113.848 113.848 112.408 1.440 18824 7121 1 12 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.760 -0.346 18824 7122 1 12 . 1 1 69 69 LYS C C 69 176.510 176.510 175.605 0.905 18824 7123 1 12 . 1 1 69 69 LYS CA C 69 54.675 54.675 55.547 -0.872 18824 7124 1 12 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.034 -0.272 18824 7125 1 12 . 1 1 69 69 LYS H H 69 8.576 8.576 7.878 0.698 18824 7126 1 12 . 1 1 70 70 GLU N N 70 119.980 119.980 120.883 -0.903 18824 7127 1 12 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.631 -0.270 18824 7128 1 12 . 1 1 70 70 GLU C C 70 176.831 176.831 175.795 1.036 18824 7129 1 12 . 1 1 70 70 GLU CA C 70 56.329 56.329 54.676 1.653 18824 7130 1 12 . 1 1 70 70 GLU CB C 70 31.293 31.293 32.947 -1.654 18824 7131 1 12 . 1 1 70 70 GLU H H 70 6.994 6.994 7.556 -0.562 18824 7132 1 12 . 1 1 71 71 THR N N 71 110.696 110.696 110.828 -0.132 18824 7133 1 12 . 1 1 71 71 THR HA H 71 4.270 4.270 4.755 -0.485 18824 7134 1 12 . 1 1 71 71 THR C C 71 174.812 174.812 175.139 -0.327 18824 7135 1 12 . 1 1 71 71 THR CA C 71 60.267 60.267 59.391 0.876 18824 7136 1 12 . 1 1 71 71 THR CB C 71 71.497 71.497 72.047 -0.550 18824 7137 1 12 . 1 1 71 71 THR H H 71 8.675 8.675 8.153 0.522 18824 7138 1 12 . 1 1 72 72 HIS N N 72 118.876 118.876 121.027 -2.151 18824 7139 1 12 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.159 -0.575 18824 7140 1 12 . 1 1 72 72 HIS C C 72 175.802 175.802 177.301 -1.499 18824 7141 1 12 . 1 1 72 72 HIS CA C 72 60.717 60.717 60.804 -0.087 18824 7142 1 12 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.827 -1.543 18824 7143 1 12 . 1 1 72 72 HIS H H 72 9.171 9.171 8.752 0.419 18824 7144 1 12 . 1 1 73 73 GLN N N 73 115.563 115.563 117.842 -2.279 18824 7145 1 12 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.085 -0.316 18824 7146 1 12 . 1 1 73 73 GLN C C 73 179.060 179.060 178.516 0.544 18824 7147 1 12 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.404 -0.661 18824 7148 1 12 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.356 -0.563 18824 7149 1 12 . 1 1 73 73 GLN H H 73 8.666 8.666 8.756 -0.090 18824 7150 1 12 . 1 1 74 74 GLN N N 74 119.687 119.687 119.187 0.500 18824 7151 1 12 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.046 -0.209 18824 7152 1 12 . 1 1 74 74 GLN C C 74 179.309 179.309 178.904 0.405 18824 7153 1 12 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.860 -0.137 18824 7154 1 12 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.979 -0.225 18824 7155 1 12 . 1 1 74 74 GLN H H 74 7.614 7.614 7.811 -0.197 18824 7156 1 12 . 1 1 75 75 VAL N N 75 120.633 120.633 120.227 0.406 18824 7157 1 12 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.607 -0.283 18824 7158 1 12 . 1 1 75 75 VAL C C 75 178.031 178.031 178.040 -0.009 18824 7159 1 12 . 1 1 75 75 VAL CA C 75 67.423 67.423 66.450 0.973 18824 7160 1 12 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.596 -0.527 18824 7161 1 12 . 1 1 75 75 VAL H H 75 8.289 8.289 7.915 0.374 18824 7162 1 12 . 1 1 76 76 VAL N N 76 118.966 118.966 119.794 -0.828 18824 7163 1 12 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.445 -0.117 18824 7164 1 12 . 1 1 76 76 VAL C C 76 178.739 178.739 178.025 0.714 18824 7165 1 12 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.988 -0.129 18824 7166 1 12 . 1 1 76 76 VAL CB C 76 30.847 30.847 31.374 -0.527 18824 7167 1 12 . 1 1 76 76 VAL H H 76 8.364 8.364 8.145 0.219 18824 7168 1 12 . 1 1 77 77 SER N N 77 115.158 115.158 114.990 0.168 18824 7169 1 12 . 1 1 77 77 SER HA H 77 3.994 3.994 4.142 -0.148 18824 7170 1 12 . 1 1 77 77 SER C C 77 176.849 176.849 176.998 -0.149 18824 7171 1 12 . 1 1 77 77 SER CA C 77 62.162 62.162 61.916 0.245 18824 7172 1 12 . 1 1 77 77 SER CB C 77 62.232 62.232 62.947 -0.715 18824 7173 1 12 . 1 1 77 77 SER H H 77 7.871 7.871 7.877 -0.006 18824 7174 1 12 . 1 1 78 78 ARG N N 78 121.310 121.310 121.771 -0.461 18824 7175 1 12 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.131 -0.209 18824 7176 1 12 . 1 1 78 78 ARG C C 78 179.309 179.309 179.381 -0.072 18824 7177 1 12 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.850 -0.101 18824 7178 1 12 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.020 0.259 18824 7179 1 12 . 1 1 78 78 ARG H H 78 7.469 7.469 7.353 0.116 18824 7180 1 12 . 1 1 79 79 ILE N N 79 119.383 119.383 120.842 -1.459 18824 7181 1 12 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.750 -0.347 18824 7182 1 12 . 1 1 79 79 ILE C C 79 178.364 178.364 178.169 0.195 18824 7183 1 12 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.695 -0.405 18824 7184 1 12 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.525 -0.301 18824 7185 1 12 . 1 1 79 79 ILE H H 79 7.759 7.759 8.351 -0.592 18824 7186 1 12 . 1 1 80 80 ARG N N 80 119.497 119.497 118.123 1.374 18824 7187 1 12 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.180 -0.202 18824 7188 1 12 . 1 1 80 80 ARG C C 80 177.544 177.544 176.966 0.578 18824 7189 1 12 . 1 1 80 80 ARG CA C 80 58.730 58.730 56.826 1.904 18824 7190 1 12 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.055 0.773 18824 7191 1 12 . 1 1 80 80 ARG H H 80 8.407 8.407 7.744 0.663 18824 7192 1 12 . 1 1 81 81 ALA N N 81 118.814 118.814 119.890 -1.076 18824 7193 1 12 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.306 -0.245 18824 7194 1 12 . 1 1 81 81 ALA C C 81 177.473 177.473 177.197 0.276 18824 7195 1 12 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.381 0.425 18824 7196 1 12 . 1 1 81 81 ALA CB C 81 18.604 18.604 19.042 -0.438 18824 7197 1 12 . 1 1 81 81 ALA H H 81 7.392 7.392 7.406 -0.014 18824 7198 1 12 . 1 1 82 82 ALA N N 82 121.771 121.771 121.297 0.474 18824 7199 1 12 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.419 -0.109 18824 7200 1 12 . 1 1 82 82 ALA C C 82 177.384 177.384 176.824 0.560 18824 7201 1 12 . 1 1 82 82 ALA CA C 82 51.604 51.604 51.610 -0.006 18824 7202 1 12 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.537 -1.946 18824 7203 1 12 . 1 1 82 82 ALA H H 82 7.182 7.182 7.228 -0.046 18824 7204 1 12 . 1 1 83 83 LEU N N 83 122.357 122.357 123.621 -1.264 18824 7205 1 12 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.150 -0.159 18824 7206 1 12 . 1 1 83 83 LEU C C 83 177.366 177.366 177.900 -0.534 18824 7207 1 12 . 1 1 83 83 LEU CA C 83 56.977 56.977 56.977 -0.000 18824 7208 1 12 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.443 -1.457 18824 7209 1 12 . 1 1 83 83 LEU H H 83 8.171 8.171 8.562 -0.391 18824 7210 1 12 . 1 1 84 84 ASN N N 84 114.897 114.897 114.212 0.685 18824 7211 1 12 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.781 -0.163 18824 7212 1 12 . 1 1 84 84 ASN C C 84 173.651 173.651 173.789 -0.138 18824 7213 1 12 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.177 1.017 18824 7214 1 12 . 1 1 84 84 ASN CB C 84 39.903 39.903 39.647 0.256 18824 7215 1 12 . 1 1 84 84 ASN H H 84 8.565 8.565 8.396 0.169 18824 7216 1 12 . 1 1 85 85 ALA N N 85 124.026 124.026 121.377 2.649 18824 7217 1 12 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.007 0.064 18824 7218 1 12 . 1 1 85 85 ALA C C 85 175.751 175.751 174.736 1.015 18824 7219 1 12 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.451 0.659 18824 7220 1 12 . 1 1 85 85 ALA CB C 85 21.156 21.156 22.179 -1.023 18824 7221 1 12 . 1 1 85 85 ALA H H 85 7.808 7.808 7.533 0.275 18824 7222 1 12 . 1 1 86 86 VAL N N 86 116.130 116.130 119.985 -3.855 18824 7223 1 12 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.426 0.166 18824 7224 1 12 . 1 1 86 86 VAL C C 86 171.876 171.876 173.928 -2.052 18824 7225 1 12 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.545 0.203 18824 7226 1 12 . 1 1 86 86 VAL CB C 86 34.893 34.893 35.763 -0.870 18824 7227 1 12 . 1 1 86 86 VAL H H 86 8.432 8.432 9.002 -0.570 18824 7228 1 12 . 1 1 87 87 ARG N N 87 124.913 124.913 127.445 -2.532 18824 7229 1 12 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.599 0.399 18824 7230 1 12 . 1 1 87 87 ARG C C 87 175.316 175.316 174.987 0.329 18824 7231 1 12 . 1 1 87 87 ARG CA C 87 53.991 53.991 55.369 -1.378 18824 7232 1 12 . 1 1 87 87 ARG CB C 87 31.805 31.805 30.758 1.047 18824 7233 1 12 . 1 1 87 87 ARG H H 87 8.255 8.255 8.671 -0.416 18824 7234 1 12 . 1 1 88 88 LEU N N 88 125.141 125.141 125.086 0.055 18824 7235 1 12 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.847 0.103 18824 7236 1 12 . 1 1 88 88 LEU C C 88 173.836 173.836 174.908 -1.072 18824 7237 1 12 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.425 -1.044 18824 7238 1 12 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.872 -0.920 18824 7239 1 12 . 1 1 88 88 LEU H H 88 9.041 9.041 8.933 0.108 18824 7240 1 12 . 1 1 89 89 LEU N N 89 126.927 126.927 127.221 -0.294 18824 7241 1 12 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.750 0.427 18824 7242 1 12 . 1 1 89 89 LEU C C 89 175.726 175.726 174.935 0.791 18824 7243 1 12 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.703 0.006 18824 7244 1 12 . 1 1 89 89 LEU CB C 89 43.514 43.514 43.929 -0.415 18824 7245 1 12 . 1 1 89 89 LEU H H 89 8.484 8.484 8.610 -0.126 18824 7246 1 12 . 1 1 90 90 VAL N N 90 119.770 119.770 121.704 -1.934 18824 7247 1 12 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.318 0.120 18824 7248 1 12 . 1 1 90 90 VAL C C 90 174.157 174.157 173.593 0.564 18824 7249 1 12 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.967 -0.996 18824 7250 1 12 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.284 1.572 18824 7251 1 12 . 1 1 90 90 VAL H H 90 9.001 9.001 7.765 1.236 18824 7252 1 12 . 1 1 91 91 VAL N N 91 112.698 112.698 119.603 -6.905 18824 7253 1 12 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.487 0.222 18824 7254 1 12 . 1 1 91 91 VAL C C 91 173.993 173.993 173.638 0.355 18824 7255 1 12 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.221 -0.238 18824 7256 1 12 . 1 1 91 91 VAL CB C 91 35.466 35.466 35.842 -0.376 18824 7257 1 12 . 1 1 91 91 VAL H H 91 8.011 8.011 8.462 -0.451 18824 7258 1 12 . 1 1 92 92 ASP N N 92 127.066 127.066 126.707 0.359 18824 7259 1 12 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.715 0.291 18824 7260 1 12 . 1 1 92 92 ASP CA C 92 53.078 53.078 52.929 0.149 18824 7261 1 12 . 1 1 92 92 ASP CB C 92 39.764 39.764 41.724 -1.960 18824 7262 1 12 . 1 1 92 92 ASP H H 92 7.878 7.878 8.811 -0.933 18824 7263 1 12 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.271 0.132 18824 7264 1 12 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.424 0.440 18824 7265 1 12 . 1 1 93 93 PRO CB C 93 32.221 32.221 32.011 0.210 18824 7266 1 12 . 1 1 94 94 GLU N N 94 119.504 119.504 118.114 1.390 18824 7267 1 12 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.195 -0.145 18824 7268 1 12 . 1 1 94 94 GLU C C 94 179.182 179.182 179.075 0.107 18824 7269 1 12 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.512 -0.294 18824 7270 1 12 . 1 1 94 94 GLU CB C 94 28.950 28.950 28.884 0.066 18824 7271 1 12 . 1 1 94 94 GLU H H 94 8.156 8.156 8.050 0.106 18824 7272 1 12 . 1 1 95 95 THR N N 95 120.651 120.651 116.577 4.074 18824 7273 1 12 . 1 1 95 95 THR HA H 95 3.751 3.751 4.101 -0.350 18824 7274 1 12 . 1 1 95 95 THR C C 95 175.888 175.888 176.430 -0.542 18824 7275 1 12 . 1 1 95 95 THR CA C 95 65.764 65.764 66.844 -1.079 18824 7276 1 12 . 1 1 95 95 THR CB C 95 67.338 67.338 68.323 -0.985 18824 7277 1 12 . 1 1 95 95 THR H H 95 8.315 8.315 8.853 -0.538 18824 7278 1 12 . 1 1 96 96 ASP N N 96 120.554 120.554 122.386 -1.832 18824 7279 1 12 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.292 -0.059 18824 7280 1 12 . 1 1 96 96 ASP C C 96 178.275 178.275 178.265 0.010 18824 7281 1 12 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.880 -1.659 18824 7282 1 12 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.798 0.240 18824 7283 1 12 . 1 1 96 96 ASP H H 96 8.381 8.381 8.739 -0.358 18824 7284 1 12 . 1 1 97 97 GLU N N 97 117.457 117.457 118.720 -1.263 18824 7285 1 12 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.984 -0.119 18824 7286 1 12 . 1 1 97 97 GLU C C 97 178.790 178.790 179.038 -0.248 18824 7287 1 12 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.338 -0.129 18824 7288 1 12 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.425 -0.379 18824 7289 1 12 . 1 1 97 97 GLU H H 97 7.727 7.727 7.760 -0.033 18824 7290 1 12 . 1 1 98 98 GLN N N 98 118.704 118.704 118.254 0.450 18824 7291 1 12 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.149 -0.175 18824 7292 1 12 . 1 1 98 98 GLN C C 98 178.756 178.756 178.607 0.149 18824 7293 1 12 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.381 -0.141 18824 7294 1 12 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.531 -0.599 18824 7295 1 12 . 1 1 98 98 GLN H H 98 7.733 7.733 7.492 0.241 18824 7296 1 12 . 1 1 99 99 LEU N N 99 119.242 119.242 120.327 -1.085 18824 7297 1 12 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.926 -0.012 18824 7298 1 12 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.193 0.526 18824 7299 1 12 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.791 -1.907 18824 7300 1 12 . 1 1 99 99 LEU H H 99 8.494 8.494 8.385 0.109 18824 7301 1 12 . 1 1 100 100 GLN N N 100 118.689 118.689 118.033 0.656 18824 7302 1 12 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.030 -0.066 18824 7303 1 12 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.747 -0.113 18824 7304 1 12 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.804 -1.086 18824 7305 1 12 . 1 1 100 100 GLN H H 100 8.202 8.202 8.044 0.158 18824 7306 1 12 . 1 1 101 101 LYS N N 101 120.369 120.369 118.997 1.372 18824 7307 1 12 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.116 -0.182 18824 7308 1 12 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.592 0.150 18824 7309 1 12 . 1 1 101 101 LYS CB C 101 31.861 31.861 31.779 0.082 18824 7310 1 12 . 1 1 101 101 LYS H H 101 7.783 7.783 7.636 0.147 18824 7311 1 12 . 1 1 102 102 LEU N N 102 117.862 117.862 119.566 -1.704 18824 7312 1 12 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.192 -0.035 18824 7313 1 12 . 1 1 102 102 LEU C C 102 177.526 177.526 177.857 -0.331 18824 7314 1 12 . 1 1 102 102 LEU CA C 102 55.174 55.174 55.294 -0.120 18824 7315 1 12 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.124 0.842 18824 7316 1 12 . 1 1 102 102 LEU H H 102 7.512 7.512 7.506 0.006 18824 7317 1 12 . 1 1 103 103 GLY N N 103 108.863 108.863 105.909 2.954 18824 7318 1 12 . 1 1 103 103 GLY C C 103 174.353 174.353 174.120 0.233 18824 7319 1 12 . 1 1 103 103 GLY CA C 103 45.565 45.565 44.659 0.906 18824 7320 1 12 . 1 1 103 103 GLY H H 103 7.851 7.851 7.784 0.067 18824 7321 1 12 . 1 1 104 104 VAL N N 104 120.506 120.506 120.658 -0.152 18824 7322 1 12 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.236 -0.384 18824 7323 1 12 . 1 1 104 104 VAL CA C 104 61.751 61.751 61.008 0.743 18824 7324 1 12 . 1 1 104 104 VAL CB C 104 32.824 32.824 32.790 0.034 18824 7325 1 12 . 1 1 104 104 VAL H H 104 7.726 7.726 7.460 0.266 18824 7326 1 12 . 1 1 105 105 GLN N N 105 124.776 124.776 127.500 -2.724 18824 7327 1 12 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.417 -0.310 18824 7328 1 12 . 1 1 105 105 GLN CA C 105 55.170 55.170 55.212 -0.042 18824 7329 1 12 . 1 1 105 105 GLN CB C 105 28.783 28.783 27.294 1.488 18824 7330 1 12 . 1 1 105 105 GLN H H 105 8.245 8.245 8.865 -0.620 18824 7331 1 12 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.707 -0.246 18824 7332 1 12 . 1 1 106 106 VAL C C 106 179.182 179.182 177.056 2.126 18824 7333 1 12 . 1 1 106 106 VAL CA C 106 64.553 64.553 64.940 -0.387 18824 7334 1 12 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.846 -1.537 18824 7335 1 12 . 1 1 106 106 VAL H H 106 8.504 8.504 8.006 0.498 18824 7336 1 12 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.062 0.178 18824 7337 1 12 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.359 -0.740 18824 7338 1 12 . 1 1 108 108 GLU CA C 108 59.746 59.746 57.329 2.417 18824 7339 1 12 . 1 1 108 108 GLU CB C 108 29.234 29.234 30.940 -1.706 18824 7340 1 12 . 1 1 108 108 GLU H H 108 8.690 8.690 7.862 0.828 18824 7341 1 12 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.401 -0.359 18824 7342 1 12 . 1 1 110 110 LEU CA C 110 56.360 56.360 56.966 -0.606 18824 7343 1 12 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.965 0.155 18824 7344 1 12 . 1 1 111 111 LEU N N 111 116.974 116.974 115.695 1.279 18824 7345 1 12 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.197 -0.114 18824 7346 1 12 . 1 1 111 111 LEU C C 111 177.598 177.598 178.577 -0.979 18824 7347 1 12 . 1 1 111 111 LEU CA C 111 55.628 55.628 56.485 -0.857 18824 7348 1 12 . 1 1 111 111 LEU CB C 111 40.977 40.977 42.273 -1.296 18824 7349 1 12 . 1 1 111 111 LEU H H 111 7.791 7.791 7.631 0.160 18824 7350 1 12 . 1 1 112 112 ARG N N 112 119.231 119.231 116.987 2.244 18824 7351 1 12 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.249 -0.097 18824 7352 1 12 . 1 1 112 112 ARG C C 112 176.246 176.246 176.939 -0.693 18824 7353 1 12 . 1 1 112 112 ARG CA C 112 56.180 56.180 57.267 -1.087 18824 7354 1 12 . 1 1 112 112 ARG CB C 112 30.340 30.340 31.078 -0.738 18824 7355 1 12 . 1 1 112 112 ARG H H 112 7.528 7.528 7.903 -0.375 18824 7356 1 12 . 1 1 113 113 ALA N N 113 123.896 123.896 123.065 0.831 18824 7357 1 12 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.705 -0.566 18824 7358 1 12 . 1 1 113 113 ALA C C 113 177.783 177.783 175.640 2.143 18824 7359 1 12 . 1 1 113 113 ALA CA C 113 52.649 52.649 51.525 1.124 18824 7360 1 12 . 1 1 113 113 ALA CB C 113 18.618 18.618 20.122 -1.504 18824 7361 1 12 . 1 1 113 113 ALA H H 113 7.954 7.954 8.149 -0.195 18824 7362 1 12 . 1 1 114 114 GLN N N 114 118.555 118.555 122.706 -4.151 18824 7363 1 12 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.252 -0.093 18824 7364 1 12 . 1 1 114 114 GLN C C 114 175.815 175.815 175.585 0.230 18824 7365 1 12 . 1 1 114 114 GLN CA C 114 55.551 55.551 55.763 -0.212 18824 7366 1 12 . 1 1 114 114 GLN CB C 114 29.023 29.023 28.619 0.404 18824 7367 1 12 . 1 1 114 114 GLN H H 114 8.121 8.121 8.556 -0.435 18824 7368 1 12 . 1 1 115 115 GLU N N 115 121.589 121.589 120.050 1.539 18824 7369 1 12 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.417 -0.287 18824 7370 1 12 . 1 1 115 115 GLU C C 115 175.637 175.637 175.375 0.262 18824 7371 1 12 . 1 1 115 115 GLU CA C 115 55.779 55.779 55.363 0.416 18824 7372 1 12 . 1 1 115 115 GLU CB C 115 30.038 30.038 27.826 2.212 18824 7373 1 12 . 1 1 115 115 GLU H H 115 8.164 8.164 8.072 0.092 18824 7374 1 12 . 1 1 116 116 ALA N N 116 126.435 126.435 128.733 -2.298 18824 7375 1 12 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.582 -0.123 18824 7376 1 12 . 1 1 116 116 ALA CA C 116 50.094 50.094 50.258 -0.164 18824 7377 1 12 . 1 1 116 116 ALA CB C 116 17.622 17.622 18.408 -0.786 18824 7378 1 12 . 1 1 116 116 ALA H H 116 8.266 8.266 7.765 0.501 18824 7379 1 12 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.459 -0.155 18824 7380 1 12 . 1 1 117 117 PRO C C 117 177.580 177.580 177.086 0.494 18824 7381 1 12 . 1 1 117 117 PRO CA C 117 62.789 62.789 62.742 0.047 18824 7382 1 12 . 1 1 117 117 PRO CB C 117 31.812 31.812 32.551 -0.739 18824 7383 1 12 . 1 1 118 118 GLY N N 118 109.304 109.304 109.649 -0.345 18824 7384 1 12 . 1 1 118 118 GLY C C 118 173.872 173.872 175.282 -1.410 18824 7385 1 12 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.650 -0.636 18824 7386 1 12 . 1 1 118 118 GLY H H 118 8.425 8.425 8.462 -0.037 18824 7387 1 12 . 1 1 119 119 GLN N N 119 120.070 120.070 119.635 0.435 18824 7388 1 12 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.434 -0.220 18824 7389 1 12 . 1 1 119 119 GLN C C 119 174.692 174.692 175.260 -0.568 18824 7390 1 12 . 1 1 119 119 GLN CA C 119 55.442 55.442 55.592 -0.149 18824 7391 1 12 . 1 1 119 119 GLN CB C 119 29.308 29.308 29.380 -0.072 18824 7392 1 12 . 1 1 119 119 GLN H H 119 8.081 8.081 8.219 -0.138 18824 7393 1 13 . 1 1 5 5 ILE N N 5 119.691 119.691 123.069 -3.378 18824 7394 1 13 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.276 -0.218 18824 7395 1 13 . 1 1 5 5 ILE C C 5 175.649 175.649 175.161 0.488 18824 7396 1 13 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.407 -0.811 18824 7397 1 13 . 1 1 5 5 ILE CB C 5 38.674 38.674 38.894 -0.220 18824 7398 1 13 . 1 1 5 5 ILE H H 5 8.370 8.370 8.151 0.219 18824 7399 1 13 . 1 1 6 6 ASP N N 6 126.564 126.564 128.287 -1.723 18824 7400 1 13 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.926 -0.236 18824 7401 1 13 . 1 1 6 6 ASP CA C 6 52.261 52.261 51.473 0.788 18824 7402 1 13 . 1 1 6 6 ASP CB C 6 40.555 40.555 42.845 -2.290 18824 7403 1 13 . 1 1 6 6 ASP H H 6 8.373 8.373 8.528 -0.155 18824 7404 1 13 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.179 -0.019 18824 7405 1 13 . 1 1 7 7 PRO C C 7 176.417 176.417 175.590 0.827 18824 7406 1 13 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.733 -0.682 18824 7407 1 13 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.380 -0.700 18824 7408 1 13 . 1 1 8 8 PHE N N 8 117.858 117.858 114.183 3.675 18824 7409 1 13 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.667 -0.123 18824 7410 1 13 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.186 0.067 18824 7411 1 13 . 1 1 8 8 PHE CB C 8 38.444 38.444 41.595 -3.151 18824 7412 1 13 . 1 1 8 8 PHE H H 8 7.974 7.974 7.488 0.486 18824 7413 1 13 . 1 1 9 9 THR N N 9 112.459 112.459 114.637 -2.178 18824 7414 1 13 . 1 1 9 9 THR HA H 9 4.338 4.338 4.569 -0.231 18824 7415 1 13 . 1 1 9 9 THR C C 9 175.888 175.888 174.393 1.495 18824 7416 1 13 . 1 1 9 9 THR CA C 9 60.827 60.827 62.647 -1.820 18824 7417 1 13 . 1 1 9 9 THR CB C 9 69.387 69.387 70.040 -0.653 18824 7418 1 13 . 1 1 9 9 THR H H 9 7.927 7.927 8.347 -0.420 18824 7419 1 13 . 1 1 10 10 MET N N 10 121.338 121.338 119.734 1.604 18824 7420 1 13 . 1 1 10 10 MET HA H 10 4.310 4.310 4.681 -0.371 18824 7421 1 13 . 1 1 10 10 MET C C 10 174.386 174.386 175.572 -1.186 18824 7422 1 13 . 1 1 10 10 MET CA C 10 52.415 52.415 56.388 -3.973 18824 7423 1 13 . 1 1 10 10 MET H H 10 7.648 7.648 8.110 -0.462 18824 7424 1 13 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.248 0.442 18824 7425 1 13 . 1 1 11 11 LEU CA C 11 52.606 52.606 54.185 -1.579 18824 7426 1 13 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.482 3.597 18824 7427 1 13 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.667 -0.050 18824 7428 1 13 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.697 -0.432 18824 7429 1 13 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.648 -0.822 18824 7430 1 13 . 1 1 13 13 ARG N N 13 118.005 118.005 119.983 -1.978 18824 7431 1 13 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.652 -0.268 18824 7432 1 13 . 1 1 13 13 ARG C C 13 173.498 173.498 174.677 -1.179 18824 7433 1 13 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.886 -0.211 18824 7434 1 13 . 1 1 13 13 ARG CB C 13 32.565 32.565 33.672 -1.107 18824 7435 1 13 . 1 1 13 13 ARG H H 13 8.484 8.484 9.030 -0.546 18824 7436 1 13 . 1 1 14 14 LEU N N 14 124.897 124.897 126.150 -1.253 18824 7437 1 13 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.445 0.423 18824 7438 1 13 . 1 1 14 14 LEU C C 14 176.144 176.144 175.844 0.300 18824 7439 1 13 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.557 -1.510 18824 7440 1 13 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.684 0.273 18824 7441 1 13 . 1 1 14 14 LEU H H 14 8.520 8.520 8.606 -0.086 18824 7442 1 13 . 1 1 15 15 CYS N N 15 127.167 127.167 128.351 -1.184 18824 7443 1 13 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.673 -0.082 18824 7444 1 13 . 1 1 15 15 CYS C C 15 173.408 173.408 174.020 -0.612 18824 7445 1 13 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.049 -0.595 18824 7446 1 13 . 1 1 15 15 CYS CB C 15 29.325 29.325 27.886 1.439 18824 7447 1 13 . 1 1 15 15 CYS H H 15 9.247 9.247 8.999 0.248 18824 7448 1 13 . 1 1 16 16 CYS N N 16 125.133 125.133 125.815 -0.682 18824 7449 1 13 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.211 -0.475 18824 7450 1 13 . 1 1 16 16 CYS C C 16 172.784 172.784 174.497 -1.713 18824 7451 1 13 . 1 1 16 16 CYS CA C 16 58.040 58.040 56.399 1.641 18824 7452 1 13 . 1 1 16 16 CYS CB C 16 27.242 27.242 26.821 0.421 18824 7453 1 13 . 1 1 16 16 CYS H H 16 9.049 9.049 8.892 0.157 18824 7454 1 13 . 1 1 17 17 LEU N N 17 124.624 124.624 121.877 2.747 18824 7455 1 13 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.981 -0.329 18824 7456 1 13 . 1 1 17 17 LEU C C 17 175.672 175.672 175.071 0.601 18824 7457 1 13 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.221 2.003 18824 7458 1 13 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.416 -0.374 18824 7459 1 13 . 1 1 17 17 LEU H H 17 8.750 8.750 8.273 0.477 18824 7460 1 13 . 1 1 18 18 GLU N N 18 121.610 121.610 118.491 3.119 18824 7461 1 13 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.681 0.079 18824 7462 1 13 . 1 1 18 18 GLU C C 18 175.548 175.548 175.511 0.037 18824 7463 1 13 . 1 1 18 18 GLU CA C 18 54.861 54.861 54.820 0.041 18824 7464 1 13 . 1 1 18 18 GLU CB C 18 31.312 31.312 32.738 -1.426 18824 7465 1 13 . 1 1 18 18 GLU H H 18 8.304 8.304 8.380 -0.076 18824 7466 1 13 . 1 1 19 19 LYS N N 19 123.922 123.922 126.244 -2.322 18824 7467 1 13 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.752 -0.642 18824 7468 1 13 . 1 1 19 19 LYS C C 19 176.635 176.635 176.694 -0.059 18824 7469 1 13 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.164 2.324 18824 7470 1 13 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.373 -0.048 18824 7471 1 13 . 1 1 19 19 LYS H H 19 8.131 8.131 8.524 -0.393 18824 7472 1 13 . 1 1 20 20 GLY N N 20 112.282 112.282 114.672 -2.390 18824 7473 1 13 . 1 1 20 20 GLY CA C 20 44.045 44.045 43.743 0.301 18824 7474 1 13 . 1 1 20 20 GLY H H 20 6.955 6.955 8.583 -1.628 18824 7475 1 13 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.282 -0.105 18824 7476 1 13 . 1 1 21 21 PRO C C 21 177.081 177.081 176.365 0.716 18824 7477 1 13 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.816 -0.494 18824 7478 1 13 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.674 -0.093 18824 7479 1 13 . 1 1 22 22 ASN N N 22 114.637 114.637 115.698 -1.061 18824 7480 1 13 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.826 0.093 18824 7481 1 13 . 1 1 22 22 ASN C C 22 175.102 175.102 175.598 -0.496 18824 7482 1 13 . 1 1 22 22 ASN CA C 22 51.618 51.618 52.619 -1.001 18824 7483 1 13 . 1 1 22 22 ASN CB C 22 38.930 38.930 38.846 0.084 18824 7484 1 13 . 1 1 22 22 ASN H H 22 8.462 8.462 7.870 0.592 18824 7485 1 13 . 1 1 23 23 GLY N N 23 107.193 107.193 108.903 -1.710 18824 7486 1 13 . 1 1 23 23 GLY C C 23 174.932 174.932 173.608 1.324 18824 7487 1 13 . 1 1 23 23 GLY CA C 23 44.426 44.426 46.343 -1.917 18824 7488 1 13 . 1 1 23 23 GLY H H 23 7.499 7.499 8.024 -0.525 18824 7489 1 13 . 1 1 24 24 TYR N N 24 119.910 119.910 122.003 -2.093 18824 7490 1 13 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.948 -0.639 18824 7491 1 13 . 1 1 24 24 TYR C C 24 177.188 177.188 175.676 1.512 18824 7492 1 13 . 1 1 24 24 TYR CA C 24 60.745 60.745 57.781 2.964 18824 7493 1 13 . 1 1 24 24 TYR CB C 24 40.447 40.447 41.373 -0.926 18824 7494 1 13 . 1 1 24 24 TYR H H 24 8.894 8.894 7.826 1.068 18824 7495 1 13 . 1 1 25 25 GLY N N 25 104.016 104.016 106.125 -2.109 18824 7496 1 13 . 1 1 25 25 GLY C C 25 173.020 173.020 172.837 0.183 18824 7497 1 13 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.145 0.376 18824 7498 1 13 . 1 1 25 25 GLY H H 25 8.394 8.394 8.473 -0.079 18824 7499 1 13 . 1 1 26 26 PHE N N 26 110.891 110.891 117.266 -6.375 18824 7500 1 13 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.815 -0.176 18824 7501 1 13 . 1 1 26 26 PHE C C 26 172.250 172.250 173.464 -1.214 18824 7502 1 13 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.125 -0.019 18824 7503 1 13 . 1 1 26 26 PHE CB C 26 41.690 41.690 42.347 -0.657 18824 7504 1 13 . 1 1 26 26 PHE H H 26 6.711 6.711 7.451 -0.740 18824 7505 1 13 . 1 1 27 27 HIS N N 27 118.261 118.261 118.596 -0.335 18824 7506 1 13 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.937 -0.153 18824 7507 1 13 . 1 1 27 27 HIS C C 27 174.659 174.659 173.703 0.956 18824 7508 1 13 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.194 -0.637 18824 7509 1 13 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.689 -0.845 18824 7510 1 13 . 1 1 27 27 HIS H H 27 7.964 7.964 9.168 -1.204 18824 7511 1 13 . 1 1 28 28 LEU N N 28 125.694 125.694 122.891 2.803 18824 7512 1 13 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.553 -0.068 18824 7513 1 13 . 1 1 28 28 LEU C C 28 176.849 176.849 176.069 0.780 18824 7514 1 13 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.320 0.343 18824 7515 1 13 . 1 1 28 28 LEU CB C 28 45.031 45.031 46.188 -1.157 18824 7516 1 13 . 1 1 28 28 LEU H H 28 9.554 9.554 8.761 0.793 18824 7517 1 13 . 1 1 29 29 HIS N N 29 119.263 119.263 116.285 2.978 18824 7518 1 13 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.000 -0.239 18824 7519 1 13 . 1 1 29 29 HIS C C 29 173.447 173.447 174.184 -0.737 18824 7520 1 13 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.861 1.929 18824 7521 1 13 . 1 1 29 29 HIS CB C 29 32.836 32.836 32.210 0.626 18824 7522 1 13 . 1 1 29 29 HIS H H 29 9.625 9.625 8.950 0.675 18824 7523 1 13 . 1 1 30 30 GLY N N 30 110.254 110.254 110.067 0.187 18824 7524 1 13 . 1 1 30 30 GLY C C 30 172.917 172.917 174.132 -1.215 18824 7525 1 13 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.456 -0.473 18824 7526 1 13 . 1 1 30 30 GLY H H 30 8.403 8.403 8.577 -0.174 18824 7527 1 13 . 1 1 31 31 GLU N N 31 119.753 119.753 124.636 -4.883 18824 7528 1 13 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.441 -0.158 18824 7529 1 13 . 1 1 31 31 GLU C C 31 175.939 175.939 176.963 -1.024 18824 7530 1 13 . 1 1 31 31 GLU CA C 31 54.431 54.431 55.369 -0.938 18824 7531 1 13 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.910 1.433 18824 7532 1 13 . 1 1 31 31 GLU H H 31 9.060 9.060 8.537 0.523 18824 7533 1 13 . 1 1 32 32 LYS N N 32 124.046 124.046 126.158 -2.112 18824 7534 1 13 . 1 1 32 32 LYS HA H 32 3.914 3.914 3.989 -0.075 18824 7535 1 13 . 1 1 32 32 LYS C C 32 177.776 177.776 176.981 0.795 18824 7536 1 13 . 1 1 32 32 LYS CA C 32 57.714 57.714 57.968 -0.254 18824 7537 1 13 . 1 1 32 32 LYS CB C 32 31.831 31.831 31.952 -0.121 18824 7538 1 13 . 1 1 32 32 LYS H H 32 8.424 8.424 8.815 -0.391 18824 7539 1 13 . 1 1 33 33 GLY N N 33 113.177 113.177 114.100 -0.923 18824 7540 1 13 . 1 1 33 33 GLY C C 33 173.408 173.408 174.235 -0.827 18824 7541 1 13 . 1 1 33 33 GLY CA C 33 45.033 45.033 44.736 0.298 18824 7542 1 13 . 1 1 33 33 GLY H H 33 8.856 8.856 8.435 0.421 18824 7543 1 13 . 1 1 34 34 LYS N N 34 118.719 118.719 121.369 -2.650 18824 7544 1 13 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.715 -0.075 18824 7545 1 13 . 1 1 34 34 LYS C C 34 176.528 176.528 176.046 0.482 18824 7546 1 13 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.012 -0.455 18824 7547 1 13 . 1 1 34 34 LYS CB C 34 34.863 34.863 34.115 0.748 18824 7548 1 13 . 1 1 34 34 LYS H H 34 7.790 7.790 8.127 -0.337 18824 7549 1 13 . 1 1 35 35 LEU N N 35 124.084 124.084 117.558 6.526 18824 7550 1 13 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.622 -0.137 18824 7551 1 13 . 1 1 35 35 LEU C C 35 177.646 177.646 177.271 0.375 18824 7552 1 13 . 1 1 35 35 LEU CA C 35 54.662 54.662 53.998 0.664 18824 7553 1 13 . 1 1 35 35 LEU CB C 35 42.676 42.676 42.373 0.303 18824 7554 1 13 . 1 1 35 35 LEU H H 35 8.759 8.759 8.230 0.529 18824 7555 1 13 . 1 1 36 36 GLY N N 36 110.962 110.962 106.302 4.660 18824 7556 1 13 . 1 1 36 36 GLY C C 36 173.070 173.070 173.792 -0.722 18824 7557 1 13 . 1 1 36 36 GLY CA C 36 44.526 44.526 44.003 0.523 18824 7558 1 13 . 1 1 36 36 GLY H H 36 8.533 8.533 7.547 0.986 18824 7559 1 13 . 1 1 37 37 GLN N N 37 117.136 117.136 120.639 -3.503 18824 7560 1 13 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.860 -0.371 18824 7561 1 13 . 1 1 37 37 GLN C C 37 173.925 173.925 174.899 -0.974 18824 7562 1 13 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.498 0.308 18824 7563 1 13 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.724 0.119 18824 7564 1 13 . 1 1 37 37 GLN H H 37 8.885 8.885 8.154 0.731 18824 7565 1 13 . 1 1 38 38 TYR N N 38 119.053 119.053 118.660 0.393 18824 7566 1 13 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.071 0.124 18824 7567 1 13 . 1 1 38 38 TYR C C 38 176.110 176.110 175.723 0.387 18824 7568 1 13 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.395 -1.165 18824 7569 1 13 . 1 1 38 38 TYR CB C 38 41.982 41.982 41.957 0.025 18824 7570 1 13 . 1 1 38 38 TYR H H 38 8.719 8.719 8.621 0.098 18824 7571 1 13 . 1 1 39 39 ILE N N 39 120.624 120.624 122.782 -2.158 18824 7572 1 13 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.459 -0.209 18824 7573 1 13 . 1 1 39 39 ILE C C 39 175.797 175.797 176.564 -0.767 18824 7574 1 13 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.300 -2.069 18824 7575 1 13 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.408 -1.014 18824 7576 1 13 . 1 1 39 39 ILE H H 39 9.208 9.208 8.959 0.249 18824 7577 1 13 . 1 1 40 40 ARG N N 40 130.372 130.372 127.978 2.394 18824 7578 1 13 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.505 -0.418 18824 7579 1 13 . 1 1 40 40 ARG C C 40 174.846 174.846 175.802 -0.956 18824 7580 1 13 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.286 0.324 18824 7581 1 13 . 1 1 40 40 ARG CB C 40 31.315 31.315 32.128 -0.813 18824 7582 1 13 . 1 1 40 40 ARG H H 40 9.240 9.240 9.088 0.152 18824 7583 1 13 . 1 1 41 41 LEU N N 41 116.642 116.642 118.825 -2.183 18824 7584 1 13 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.658 -0.300 18824 7585 1 13 . 1 1 41 41 LEU C C 41 173.658 173.658 174.529 -0.871 18824 7586 1 13 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.874 -0.189 18824 7587 1 13 . 1 1 41 41 LEU CB C 41 45.215 45.215 46.092 -0.877 18824 7588 1 13 . 1 1 41 41 LEU H H 41 7.130 7.130 7.740 -0.610 18824 7589 1 13 . 1 1 42 42 VAL N N 42 125.934 125.934 122.682 3.252 18824 7590 1 13 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.780 -0.425 18824 7591 1 13 . 1 1 42 42 VAL C C 42 175.548 175.548 175.577 -0.029 18824 7592 1 13 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.194 1.059 18824 7593 1 13 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.149 0.074 18824 7594 1 13 . 1 1 42 42 VAL H H 42 8.731 8.731 8.427 0.304 18824 7595 1 13 . 1 1 43 43 GLU N N 43 128.285 128.285 128.242 0.043 18824 7596 1 13 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.568 -0.247 18824 7597 1 13 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.448 0.212 18824 7598 1 13 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.919 -1.190 18824 7599 1 13 . 1 1 43 43 GLU H H 43 9.102 9.102 8.967 0.135 18824 7600 1 13 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.557 -0.117 18824 7601 1 13 . 1 1 44 44 PRO C C 44 178.222 178.222 177.450 0.772 18824 7602 1 13 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.158 0.140 18824 7603 1 13 . 1 1 44 44 PRO CB C 44 31.388 31.388 31.349 0.038 18824 7604 1 13 . 1 1 45 45 GLY N N 45 113.166 113.166 115.022 -1.856 18824 7605 1 13 . 1 1 45 45 GLY C C 45 173.515 173.515 174.116 -0.601 18824 7606 1 13 . 1 1 45 45 GLY CA C 45 45.525 45.525 45.110 0.415 18824 7607 1 13 . 1 1 45 45 GLY H H 45 9.416 9.416 9.834 -0.418 18824 7608 1 13 . 1 1 46 46 SER N N 46 114.219 114.219 116.082 -1.863 18824 7609 1 13 . 1 1 46 46 SER HA H 46 4.670 4.670 5.104 -0.434 18824 7610 1 13 . 1 1 46 46 SER CA C 46 57.103 57.103 55.707 1.396 18824 7611 1 13 . 1 1 46 46 SER CB C 46 64.458 64.458 65.095 -0.637 18824 7612 1 13 . 1 1 46 46 SER H H 46 7.422 7.422 7.732 -0.310 18824 7613 1 13 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.394 -0.107 18824 7614 1 13 . 1 1 47 47 PRO C C 47 179.487 179.487 177.285 2.202 18824 7615 1 13 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.752 0.585 18824 7616 1 13 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.655 0.683 18824 7617 1 13 . 1 1 48 48 ALA N N 48 116.941 116.941 122.487 -5.546 18824 7618 1 13 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.965 -0.157 18824 7619 1 13 . 1 1 48 48 ALA C C 48 177.063 177.063 179.172 -2.109 18824 7620 1 13 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.299 -0.189 18824 7621 1 13 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.380 1.794 18824 7622 1 13 . 1 1 48 48 ALA H H 48 7.855 7.855 7.738 0.117 18824 7623 1 13 . 1 1 49 49 GLU N N 49 120.064 120.064 117.355 2.709 18824 7624 1 13 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.044 -0.190 18824 7625 1 13 . 1 1 49 49 GLU C C 49 181.038 181.038 178.835 2.203 18824 7626 1 13 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.794 0.387 18824 7627 1 13 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.540 0.130 18824 7628 1 13 . 1 1 49 49 GLU H H 49 7.732 7.732 7.832 -0.100 18824 7629 1 13 . 1 1 50 50 LYS N N 50 120.570 120.570 117.581 2.989 18824 7630 1 13 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.172 -0.248 18824 7631 1 13 . 1 1 50 50 LYS C C 50 177.580 177.580 178.157 -0.577 18824 7632 1 13 . 1 1 50 50 LYS CA C 50 58.780 58.780 57.486 1.294 18824 7633 1 13 . 1 1 50 50 LYS CB C 50 31.804 31.804 31.932 -0.128 18824 7634 1 13 . 1 1 50 50 LYS H H 50 8.156 8.156 7.500 0.656 18824 7635 1 13 . 1 1 51 51 ALA N N 51 117.482 117.482 118.622 -1.140 18824 7636 1 13 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.244 0.064 18824 7637 1 13 . 1 1 51 51 ALA C C 51 177.509 177.509 176.763 0.746 18824 7638 1 13 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.810 -0.692 18824 7639 1 13 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.821 0.374 18824 7640 1 13 . 1 1 51 51 ALA H H 51 7.730 7.730 7.608 0.122 18824 7641 1 13 . 1 1 52 52 GLY N N 52 103.549 103.549 105.035 -1.486 18824 7642 1 13 . 1 1 52 52 GLY C C 52 174.888 174.888 174.560 0.328 18824 7643 1 13 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.778 0.245 18824 7644 1 13 . 1 1 52 52 GLY H H 52 7.513 7.513 7.294 0.219 18824 7645 1 13 . 1 1 53 53 LEU N N 53 120.806 120.806 121.371 -0.565 18824 7646 1 13 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.362 -0.506 18824 7647 1 13 . 1 1 53 53 LEU C C 53 174.692 174.692 175.730 -1.038 18824 7648 1 13 . 1 1 53 53 LEU CA C 53 55.190 55.190 54.806 0.384 18824 7649 1 13 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.589 0.405 18824 7650 1 13 . 1 1 53 53 LEU H H 53 7.420 7.420 7.891 -0.471 18824 7651 1 13 . 1 1 54 54 LEU N N 54 122.726 122.726 122.749 -0.023 18824 7652 1 13 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.651 -0.146 18824 7653 1 13 . 1 1 54 54 LEU C C 54 176.350 176.350 175.784 0.566 18824 7654 1 13 . 1 1 54 54 LEU CA C 54 52.981 52.981 53.754 -0.773 18824 7655 1 13 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.467 -0.903 18824 7656 1 13 . 1 1 54 54 LEU H H 54 8.546 8.546 8.414 0.132 18824 7657 1 13 . 1 1 55 55 ALA N N 55 122.735 122.735 124.542 -1.807 18824 7658 1 13 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.384 -0.653 18824 7659 1 13 . 1 1 55 55 ALA C C 55 179.077 179.077 178.281 0.796 18824 7660 1 13 . 1 1 55 55 ALA CA C 55 53.000 53.000 52.785 0.215 18824 7661 1 13 . 1 1 55 55 ALA CB C 55 17.068 17.068 18.811 -1.742 18824 7662 1 13 . 1 1 55 55 ALA H H 55 8.551 8.551 8.481 0.070 18824 7663 1 13 . 1 1 56 56 GLY N N 56 112.553 112.553 114.406 -1.853 18824 7664 1 13 . 1 1 56 56 GLY C C 56 174.638 174.638 174.478 0.160 18824 7665 1 13 . 1 1 56 56 GLY CA C 56 44.481 44.481 44.755 -0.274 18824 7666 1 13 . 1 1 56 56 GLY H H 56 9.450 9.450 9.098 0.352 18824 7667 1 13 . 1 1 57 57 ASP N N 57 121.912 121.912 122.113 -0.201 18824 7668 1 13 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.852 -0.305 18824 7669 1 13 . 1 1 57 57 ASP C C 57 174.539 174.539 174.848 -0.309 18824 7670 1 13 . 1 1 57 57 ASP CA C 57 55.157 55.157 55.794 -0.637 18824 7671 1 13 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.783 -0.299 18824 7672 1 13 . 1 1 57 57 ASP H H 57 7.948 7.948 7.640 0.308 18824 7673 1 13 . 1 1 58 58 ARG N N 58 122.512 122.512 123.443 -0.931 18824 7674 1 13 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.433 -0.452 18824 7675 1 13 . 1 1 58 58 ARG C C 58 175.512 175.512 174.804 0.708 18824 7676 1 13 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.714 -0.545 18824 7677 1 13 . 1 1 58 58 ARG CB C 58 32.435 32.435 31.807 0.628 18824 7678 1 13 . 1 1 58 58 ARG H H 58 8.570 8.570 8.729 -0.159 18824 7679 1 13 . 1 1 59 59 LEU N N 59 126.506 126.506 128.630 -2.124 18824 7680 1 13 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.487 -0.428 18824 7681 1 13 . 1 1 59 59 LEU C C 59 174.420 174.420 175.329 -0.909 18824 7682 1 13 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.298 -0.119 18824 7683 1 13 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.190 0.285 18824 7684 1 13 . 1 1 59 59 LEU H H 59 7.917 7.917 8.683 -0.766 18824 7685 1 13 . 1 1 60 60 VAL N N 60 124.914 124.914 126.460 -1.546 18824 7686 1 13 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.138 -0.228 18824 7687 1 13 . 1 1 60 60 VAL CA C 60 63.788 63.788 63.768 0.020 18824 7688 1 13 . 1 1 60 60 VAL CB C 60 32.805 32.805 33.182 -0.377 18824 7689 1 13 . 1 1 60 60 VAL H H 60 8.781 8.781 9.171 -0.390 18824 7690 1 13 . 1 1 61 61 GLU N N 61 112.868 112.868 119.317 -6.449 18824 7691 1 13 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.074 0.139 18824 7692 1 13 . 1 1 61 61 GLU C C 61 175.717 175.717 174.331 1.386 18824 7693 1 13 . 1 1 61 61 GLU CA C 61 54.186 54.186 54.807 -0.621 18824 7694 1 13 . 1 1 61 61 GLU CB C 61 34.458 34.458 34.012 0.446 18824 7695 1 13 . 1 1 61 61 GLU H H 61 7.332 7.332 7.709 -0.377 18824 7696 1 13 . 1 1 62 62 VAL N N 62 118.357 118.357 123.852 -5.495 18824 7697 1 13 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.732 -0.410 18824 7698 1 13 . 1 1 62 62 VAL C C 62 175.495 175.495 175.839 -0.344 18824 7699 1 13 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.889 -0.139 18824 7700 1 13 . 1 1 62 62 VAL CB C 62 33.376 33.376 33.916 -0.540 18824 7701 1 13 . 1 1 62 62 VAL H H 62 8.342 8.342 8.890 -0.548 18824 7702 1 13 . 1 1 63 63 ASN N N 63 129.063 129.063 128.119 0.944 18824 7703 1 13 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.338 -0.159 18824 7704 1 13 . 1 1 63 63 ASN C C 63 175.051 175.051 175.370 -0.319 18824 7705 1 13 . 1 1 63 63 ASN CA C 63 53.644 53.644 53.908 -0.264 18824 7706 1 13 . 1 1 63 63 ASN CB C 63 36.328 36.328 37.725 -1.397 18824 7707 1 13 . 1 1 63 63 ASN H H 63 9.830 9.830 9.447 0.383 18824 7708 1 13 . 1 1 64 64 GLY N N 64 103.346 103.346 104.069 -0.723 18824 7709 1 13 . 1 1 64 64 GLY C C 64 173.276 173.276 173.308 -0.032 18824 7710 1 13 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.083 -0.040 18824 7711 1 13 . 1 1 64 64 GLY H H 64 9.222 9.222 9.000 0.222 18824 7712 1 13 . 1 1 65 65 GLU N N 65 119.230 119.230 120.228 -0.998 18824 7713 1 13 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.512 -0.023 18824 7714 1 13 . 1 1 65 65 GLU C C 65 174.745 174.745 174.746 -0.001 18824 7715 1 13 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.367 0.324 18824 7716 1 13 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.528 -1.726 18824 7717 1 13 . 1 1 65 65 GLU H H 65 7.553 7.553 7.412 0.141 18824 7718 1 13 . 1 1 66 66 ASN N N 66 123.478 123.478 125.619 -2.141 18824 7719 1 13 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.692 -0.004 18824 7720 1 13 . 1 1 66 66 ASN C C 66 176.144 176.144 175.814 0.330 18824 7721 1 13 . 1 1 66 66 ASN CA C 66 55.224 55.224 53.651 1.573 18824 7722 1 13 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.755 0.834 18824 7723 1 13 . 1 1 66 66 ASN H H 66 8.865 8.865 8.923 -0.058 18824 7724 1 13 . 1 1 67 67 VAL N N 67 117.695 117.695 119.566 -1.871 18824 7725 1 13 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.368 0.135 18824 7726 1 13 . 1 1 67 67 VAL C C 67 177.475 177.475 176.751 0.724 18824 7727 1 13 . 1 1 67 67 VAL CA C 67 59.756 59.756 61.988 -2.232 18824 7728 1 13 . 1 1 67 67 VAL CB C 67 31.321 31.321 31.780 -0.459 18824 7729 1 13 . 1 1 67 67 VAL H H 67 8.210 8.210 8.564 -0.354 18824 7730 1 13 . 1 1 68 68 GLU N N 68 122.899 122.899 120.787 2.112 18824 7731 1 13 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.190 -0.269 18824 7732 1 13 . 1 1 68 68 GLU C C 68 177.348 177.348 176.205 1.143 18824 7733 1 13 . 1 1 68 68 GLU CA C 68 59.762 59.762 57.201 2.561 18824 7734 1 13 . 1 1 68 68 GLU CB C 68 31.210 31.210 28.846 2.364 18824 7735 1 13 . 1 1 68 68 GLU H H 68 8.427 8.427 8.158 0.269 18824 7736 1 13 . 1 1 69 69 LYS N N 69 113.848 113.848 113.501 0.347 18824 7737 1 13 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.535 -0.121 18824 7738 1 13 . 1 1 69 69 LYS C C 69 176.510 176.510 176.200 0.310 18824 7739 1 13 . 1 1 69 69 LYS CA C 69 54.675 54.675 55.544 -0.869 18824 7740 1 13 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.558 -0.796 18824 7741 1 13 . 1 1 69 69 LYS H H 69 8.576 8.576 7.525 1.051 18824 7742 1 13 . 1 1 70 70 GLU N N 70 119.980 119.980 121.906 -1.926 18824 7743 1 13 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.724 -0.363 18824 7744 1 13 . 1 1 70 70 GLU C C 70 176.831 176.831 174.914 1.917 18824 7745 1 13 . 1 1 70 70 GLU CA C 70 56.329 56.329 54.839 1.490 18824 7746 1 13 . 1 1 70 70 GLU CB C 70 31.293 31.293 31.323 -0.030 18824 7747 1 13 . 1 1 70 70 GLU H H 70 6.994 6.994 7.837 -0.843 18824 7748 1 13 . 1 1 71 71 THR N N 71 110.696 110.696 108.629 2.067 18824 7749 1 13 . 1 1 71 71 THR HA H 71 4.270 4.270 4.623 -0.353 18824 7750 1 13 . 1 1 71 71 THR C C 71 174.812 174.812 174.744 0.068 18824 7751 1 13 . 1 1 71 71 THR CA C 71 60.267 60.267 60.068 0.199 18824 7752 1 13 . 1 1 71 71 THR CB C 71 71.497 71.497 71.548 -0.051 18824 7753 1 13 . 1 1 71 71 THR H H 71 8.675 8.675 7.994 0.681 18824 7754 1 13 . 1 1 72 72 HIS N N 72 118.876 118.876 121.409 -2.533 18824 7755 1 13 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.139 -0.555 18824 7756 1 13 . 1 1 72 72 HIS C C 72 175.802 175.802 177.203 -1.401 18824 7757 1 13 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.503 -0.786 18824 7758 1 13 . 1 1 72 72 HIS CB C 72 28.284 28.284 30.186 -1.902 18824 7759 1 13 . 1 1 72 72 HIS H H 72 9.171 9.171 8.836 0.335 18824 7760 1 13 . 1 1 73 73 GLN N N 73 115.563 115.563 117.682 -2.119 18824 7761 1 13 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.039 -0.270 18824 7762 1 13 . 1 1 73 73 GLN C C 73 179.060 179.060 178.750 0.310 18824 7763 1 13 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.401 -0.658 18824 7764 1 13 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.332 -0.539 18824 7765 1 13 . 1 1 73 73 GLN H H 73 8.666 8.666 8.819 -0.153 18824 7766 1 13 . 1 1 74 74 GLN N N 74 119.687 119.687 118.986 0.701 18824 7767 1 13 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.063 -0.226 18824 7768 1 13 . 1 1 74 74 GLN C C 74 179.309 179.309 178.668 0.641 18824 7769 1 13 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.837 -0.114 18824 7770 1 13 . 1 1 74 74 GLN CB C 74 28.754 28.754 29.114 -0.360 18824 7771 1 13 . 1 1 74 74 GLN H H 74 7.614 7.614 7.873 -0.259 18824 7772 1 13 . 1 1 75 75 VAL N N 75 120.633 120.633 116.926 3.707 18824 7773 1 13 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.638 -0.314 18824 7774 1 13 . 1 1 75 75 VAL C C 75 178.031 178.031 177.618 0.413 18824 7775 1 13 . 1 1 75 75 VAL CA C 75 67.423 67.423 65.989 1.434 18824 7776 1 13 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.293 -0.224 18824 7777 1 13 . 1 1 75 75 VAL H H 75 8.289 8.289 8.216 0.073 18824 7778 1 13 . 1 1 76 76 VAL N N 76 118.966 118.966 121.523 -2.557 18824 7779 1 13 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.436 -0.108 18824 7780 1 13 . 1 1 76 76 VAL C C 76 178.739 178.739 178.199 0.540 18824 7781 1 13 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.650 0.209 18824 7782 1 13 . 1 1 76 76 VAL CB C 76 30.847 30.847 31.090 -0.243 18824 7783 1 13 . 1 1 76 76 VAL H H 76 8.364 8.364 7.891 0.473 18824 7784 1 13 . 1 1 77 77 SER N N 77 115.158 115.158 115.614 -0.456 18824 7785 1 13 . 1 1 77 77 SER HA H 77 3.994 3.994 4.153 -0.159 18824 7786 1 13 . 1 1 77 77 SER C C 77 176.849 176.849 176.509 0.340 18824 7787 1 13 . 1 1 77 77 SER CA C 77 62.162 62.162 62.120 0.042 18824 7788 1 13 . 1 1 77 77 SER CB C 77 62.232 62.232 62.682 -0.450 18824 7789 1 13 . 1 1 77 77 SER H H 77 7.871 7.871 8.169 -0.298 18824 7790 1 13 . 1 1 78 78 ARG N N 78 121.310 121.310 121.156 0.154 18824 7791 1 13 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.034 -0.112 18824 7792 1 13 . 1 1 78 78 ARG C C 78 179.309 179.309 178.666 0.643 18824 7793 1 13 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.954 -0.205 18824 7794 1 13 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.049 0.230 18824 7795 1 13 . 1 1 78 78 ARG H H 78 7.469 7.469 7.574 -0.105 18824 7796 1 13 . 1 1 79 79 ILE N N 79 119.383 119.383 119.890 -0.507 18824 7797 1 13 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.726 -0.323 18824 7798 1 13 . 1 1 79 79 ILE C C 79 178.364 178.364 178.847 -0.483 18824 7799 1 13 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.627 -0.337 18824 7800 1 13 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.688 -0.464 18824 7801 1 13 . 1 1 79 79 ILE H H 79 7.759 7.759 8.297 -0.538 18824 7802 1 13 . 1 1 80 80 ARG N N 80 119.497 119.497 119.419 0.078 18824 7803 1 13 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.144 -0.166 18824 7804 1 13 . 1 1 80 80 ARG C C 80 177.544 177.544 177.408 0.136 18824 7805 1 13 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.827 0.903 18824 7806 1 13 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.349 0.479 18824 7807 1 13 . 1 1 80 80 ARG H H 80 8.407 8.407 8.079 0.328 18824 7808 1 13 . 1 1 81 81 ALA N N 81 118.814 118.814 119.244 -0.430 18824 7809 1 13 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.316 -0.255 18824 7810 1 13 . 1 1 81 81 ALA C C 81 177.473 177.473 177.523 -0.050 18824 7811 1 13 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.284 0.522 18824 7812 1 13 . 1 1 81 81 ALA CB C 81 18.604 18.604 18.923 -0.319 18824 7813 1 13 . 1 1 81 81 ALA H H 81 7.392 7.392 7.405 -0.013 18824 7814 1 13 . 1 1 82 82 ALA N N 82 121.771 121.771 120.953 0.818 18824 7815 1 13 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.148 0.162 18824 7816 1 13 . 1 1 82 82 ALA C C 82 177.384 177.384 177.174 0.210 18824 7817 1 13 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.910 -1.306 18824 7818 1 13 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.502 -1.911 18824 7819 1 13 . 1 1 82 82 ALA H H 82 7.182 7.182 7.211 -0.029 18824 7820 1 13 . 1 1 83 83 LEU N N 83 122.357 122.357 123.914 -1.557 18824 7821 1 13 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.205 -0.214 18824 7822 1 13 . 1 1 83 83 LEU C C 83 177.366 177.366 178.192 -0.826 18824 7823 1 13 . 1 1 83 83 LEU CA C 83 56.977 56.977 56.930 0.047 18824 7824 1 13 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.142 -1.156 18824 7825 1 13 . 1 1 83 83 LEU H H 83 8.171 8.171 8.694 -0.523 18824 7826 1 13 . 1 1 84 84 ASN N N 84 114.897 114.897 113.527 1.370 18824 7827 1 13 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.727 -0.109 18824 7828 1 13 . 1 1 84 84 ASN C C 84 173.651 173.651 174.193 -0.542 18824 7829 1 13 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.293 0.901 18824 7830 1 13 . 1 1 84 84 ASN CB C 84 39.903 39.903 38.904 1.000 18824 7831 1 13 . 1 1 84 84 ASN H H 84 8.565 8.565 8.293 0.272 18824 7832 1 13 . 1 1 85 85 ALA N N 85 124.026 124.026 120.583 3.443 18824 7833 1 13 . 1 1 85 85 ALA HA H 85 5.071 5.071 4.803 0.268 18824 7834 1 13 . 1 1 85 85 ALA C C 85 175.751 175.751 174.778 0.973 18824 7835 1 13 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.727 0.383 18824 7836 1 13 . 1 1 85 85 ALA CB C 85 21.156 21.156 21.845 -0.689 18824 7837 1 13 . 1 1 85 85 ALA H H 85 7.808 7.808 7.407 0.401 18824 7838 1 13 . 1 1 86 86 VAL N N 86 116.130 116.130 119.660 -3.530 18824 7839 1 13 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.406 0.186 18824 7840 1 13 . 1 1 86 86 VAL C C 86 171.876 171.876 174.233 -2.357 18824 7841 1 13 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.845 -0.097 18824 7842 1 13 . 1 1 86 86 VAL CB C 86 34.893 34.893 36.119 -1.226 18824 7843 1 13 . 1 1 86 86 VAL H H 86 8.432 8.432 8.913 -0.481 18824 7844 1 13 . 1 1 87 87 ARG N N 87 124.913 124.913 126.390 -1.477 18824 7845 1 13 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.544 0.454 18824 7846 1 13 . 1 1 87 87 ARG C C 87 175.316 175.316 175.119 0.197 18824 7847 1 13 . 1 1 87 87 ARG CA C 87 53.991 53.991 55.167 -1.176 18824 7848 1 13 . 1 1 87 87 ARG CB C 87 31.805 31.805 31.000 0.805 18824 7849 1 13 . 1 1 87 87 ARG H H 87 8.255 8.255 8.544 -0.289 18824 7850 1 13 . 1 1 88 88 LEU N N 88 125.141 125.141 125.786 -0.645 18824 7851 1 13 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.930 0.020 18824 7852 1 13 . 1 1 88 88 LEU C C 88 173.836 173.836 175.052 -1.216 18824 7853 1 13 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.411 -1.030 18824 7854 1 13 . 1 1 88 88 LEU CB C 88 43.952 43.952 43.947 0.005 18824 7855 1 13 . 1 1 88 88 LEU H H 88 9.041 9.041 9.034 0.007 18824 7856 1 13 . 1 1 89 89 LEU N N 89 126.927 126.927 128.397 -1.470 18824 7857 1 13 . 1 1 89 89 LEU HA H 89 5.177 5.177 5.133 0.044 18824 7858 1 13 . 1 1 89 89 LEU C C 89 175.726 175.726 175.006 0.720 18824 7859 1 13 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.918 -0.209 18824 7860 1 13 . 1 1 89 89 LEU CB C 89 43.514 43.514 44.098 -0.584 18824 7861 1 13 . 1 1 89 89 LEU H H 89 8.484 8.484 8.620 -0.136 18824 7862 1 13 . 1 1 90 90 VAL N N 90 119.770 119.770 122.532 -2.762 18824 7863 1 13 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.541 -0.103 18824 7864 1 13 . 1 1 90 90 VAL C C 90 174.157 174.157 173.713 0.444 18824 7865 1 13 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.363 -0.392 18824 7866 1 13 . 1 1 90 90 VAL CB C 90 36.856 36.856 36.009 0.847 18824 7867 1 13 . 1 1 90 90 VAL H H 90 9.001 9.001 9.344 -0.343 18824 7868 1 13 . 1 1 91 91 VAL N N 91 112.698 112.698 119.766 -7.068 18824 7869 1 13 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.531 0.178 18824 7870 1 13 . 1 1 91 91 VAL C C 91 173.993 173.993 173.757 0.236 18824 7871 1 13 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.664 -0.681 18824 7872 1 13 . 1 1 91 91 VAL CB C 91 35.466 35.466 35.181 0.285 18824 7873 1 13 . 1 1 91 91 VAL H H 91 8.011 8.011 8.223 -0.212 18824 7874 1 13 . 1 1 92 92 ASP N N 92 127.066 127.066 127.326 -0.260 18824 7875 1 13 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.965 0.041 18824 7876 1 13 . 1 1 92 92 ASP CA C 92 53.078 53.078 52.232 0.846 18824 7877 1 13 . 1 1 92 92 ASP CB C 92 39.764 39.764 40.834 -1.069 18824 7878 1 13 . 1 1 92 92 ASP H H 92 7.878 7.878 8.789 -0.911 18824 7879 1 13 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.208 0.195 18824 7880 1 13 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.564 0.299 18824 7881 1 13 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.975 0.246 18824 7882 1 13 . 1 1 94 94 GLU N N 94 119.504 119.504 117.810 1.694 18824 7883 1 13 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.112 -0.062 18824 7884 1 13 . 1 1 94 94 GLU C C 94 179.182 179.182 178.811 0.371 18824 7885 1 13 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.390 -0.172 18824 7886 1 13 . 1 1 94 94 GLU CB C 94 28.950 28.950 29.439 -0.489 18824 7887 1 13 . 1 1 94 94 GLU H H 94 8.156 8.156 8.140 0.016 18824 7888 1 13 . 1 1 95 95 THR N N 95 120.651 120.651 117.243 3.408 18824 7889 1 13 . 1 1 95 95 THR HA H 95 3.751 3.751 3.981 -0.230 18824 7890 1 13 . 1 1 95 95 THR C C 95 175.888 175.888 176.341 -0.453 18824 7891 1 13 . 1 1 95 95 THR CA C 95 65.764 65.764 66.625 -0.861 18824 7892 1 13 . 1 1 95 95 THR CB C 95 67.338 67.338 68.930 -1.592 18824 7893 1 13 . 1 1 95 95 THR H H 95 8.315 8.315 8.116 0.199 18824 7894 1 13 . 1 1 96 96 ASP N N 96 120.554 120.554 121.166 -0.612 18824 7895 1 13 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.341 -0.108 18824 7896 1 13 . 1 1 96 96 ASP C C 96 178.275 178.275 178.193 0.082 18824 7897 1 13 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.707 -1.486 18824 7898 1 13 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.872 0.166 18824 7899 1 13 . 1 1 96 96 ASP H H 96 8.381 8.381 8.643 -0.262 18824 7900 1 13 . 1 1 97 97 GLU N N 97 117.457 117.457 118.895 -1.438 18824 7901 1 13 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.955 -0.090 18824 7902 1 13 . 1 1 97 97 GLU C C 97 178.790 178.790 178.800 -0.010 18824 7903 1 13 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.900 -0.691 18824 7904 1 13 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.540 -0.494 18824 7905 1 13 . 1 1 97 97 GLU H H 97 7.727 7.727 8.066 -0.339 18824 7906 1 13 . 1 1 98 98 GLN N N 98 118.704 118.704 117.986 0.718 18824 7907 1 13 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.138 -0.164 18824 7908 1 13 . 1 1 98 98 GLN C C 98 178.756 178.756 178.460 0.296 18824 7909 1 13 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.312 -0.072 18824 7910 1 13 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.242 -0.310 18824 7911 1 13 . 1 1 98 98 GLN H H 98 7.733 7.733 7.592 0.141 18824 7912 1 13 . 1 1 99 99 LEU N N 99 119.242 119.242 120.695 -1.453 18824 7913 1 13 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.952 -0.038 18824 7914 1 13 . 1 1 99 99 LEU CA C 99 57.719 57.719 58.014 -0.295 18824 7915 1 13 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.404 -1.521 18824 7916 1 13 . 1 1 99 99 LEU H H 99 8.494 8.494 8.463 0.031 18824 7917 1 13 . 1 1 100 100 GLN N N 100 118.689 118.689 116.899 1.790 18824 7918 1 13 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.000 -0.036 18824 7919 1 13 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.559 0.075 18824 7920 1 13 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.181 -0.463 18824 7921 1 13 . 1 1 100 100 GLN H H 100 8.202 8.202 8.515 -0.313 18824 7922 1 13 . 1 1 101 101 LYS N N 101 120.369 120.369 119.228 1.141 18824 7923 1 13 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.117 -0.183 18824 7924 1 13 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.077 0.665 18824 7925 1 13 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.321 -0.460 18824 7926 1 13 . 1 1 101 101 LYS H H 101 7.783 7.783 7.554 0.229 18824 7927 1 13 . 1 1 102 102 LEU N N 102 117.862 117.862 118.546 -0.684 18824 7928 1 13 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.078 0.079 18824 7929 1 13 . 1 1 102 102 LEU C C 102 177.526 177.526 177.869 -0.343 18824 7930 1 13 . 1 1 102 102 LEU CA C 102 55.174 55.174 56.079 -0.905 18824 7931 1 13 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.182 0.784 18824 7932 1 13 . 1 1 102 102 LEU H H 102 7.512 7.512 7.900 -0.388 18824 7933 1 13 . 1 1 103 103 GLY N N 103 108.863 108.863 107.206 1.657 18824 7934 1 13 . 1 1 103 103 GLY C C 103 174.353 174.353 174.072 0.281 18824 7935 1 13 . 1 1 103 103 GLY CA C 103 45.565 45.565 45.196 0.369 18824 7936 1 13 . 1 1 103 103 GLY H H 103 7.851 7.851 7.703 0.148 18824 7937 1 13 . 1 1 104 104 VAL N N 104 120.506 120.506 120.180 0.326 18824 7938 1 13 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.372 -0.520 18824 7939 1 13 . 1 1 104 104 VAL CA C 104 61.751 61.751 60.833 0.918 18824 7940 1 13 . 1 1 104 104 VAL CB C 104 32.824 32.824 34.739 -1.915 18824 7941 1 13 . 1 1 104 104 VAL H H 104 7.726 7.726 7.854 -0.128 18824 7942 1 13 . 1 1 105 105 GLN N N 105 124.776 124.776 125.854 -1.078 18824 7943 1 13 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.246 -0.139 18824 7944 1 13 . 1 1 105 105 GLN CA C 105 55.170 55.170 56.093 -0.923 18824 7945 1 13 . 1 1 105 105 GLN CB C 105 28.783 28.783 26.246 2.537 18824 7946 1 13 . 1 1 105 105 GLN H H 105 8.245 8.245 8.938 -0.693 18824 7947 1 13 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.676 -0.215 18824 7948 1 13 . 1 1 106 106 VAL C C 106 179.182 179.182 176.945 2.237 18824 7949 1 13 . 1 1 106 106 VAL CA C 106 64.553 64.553 65.347 -0.795 18824 7950 1 13 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.397 -1.088 18824 7951 1 13 . 1 1 106 106 VAL H H 106 8.504 8.504 8.521 -0.017 18824 7952 1 13 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.029 0.211 18824 7953 1 13 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.232 -0.613 18824 7954 1 13 . 1 1 108 108 GLU CA C 108 59.746 59.746 57.665 2.081 18824 7955 1 13 . 1 1 108 108 GLU CB C 108 29.234 29.234 29.917 -0.683 18824 7956 1 13 . 1 1 108 108 GLU H H 108 8.690 8.690 7.594 1.096 18824 7957 1 13 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.096 -0.054 18824 7958 1 13 . 1 1 110 110 LEU CA C 110 56.360 56.360 58.174 -1.814 18824 7959 1 13 . 1 1 110 110 LEU CB C 110 42.120 42.120 42.208 -0.088 18824 7960 1 13 . 1 1 111 111 LEU N N 111 116.974 116.974 114.806 2.168 18824 7961 1 13 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.778 -0.695 18824 7962 1 13 . 1 1 111 111 LEU C C 111 177.598 177.598 178.627 -1.029 18824 7963 1 13 . 1 1 111 111 LEU CA C 111 55.628 55.628 56.412 -0.784 18824 7964 1 13 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.441 -0.465 18824 7965 1 13 . 1 1 111 111 LEU H H 111 7.791 7.791 7.645 0.146 18824 7966 1 13 . 1 1 112 112 ARG N N 112 119.231 119.231 120.021 -0.790 18824 7967 1 13 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.094 0.058 18824 7968 1 13 . 1 1 112 112 ARG C C 112 176.246 176.246 177.988 -1.742 18824 7969 1 13 . 1 1 112 112 ARG CA C 112 56.180 56.180 58.368 -2.188 18824 7970 1 13 . 1 1 112 112 ARG CB C 112 30.340 30.340 30.815 -0.475 18824 7971 1 13 . 1 1 112 112 ARG H H 112 7.528 7.528 8.380 -0.852 18824 7972 1 13 . 1 1 113 113 ALA N N 113 123.896 123.896 120.605 3.291 18824 7973 1 13 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.154 -0.015 18824 7974 1 13 . 1 1 113 113 ALA C C 113 177.783 177.783 178.033 -0.250 18824 7975 1 13 . 1 1 113 113 ALA CA C 113 52.649 52.649 54.044 -1.395 18824 7976 1 13 . 1 1 113 113 ALA CB C 113 18.618 18.618 19.407 -0.789 18824 7977 1 13 . 1 1 113 113 ALA H H 113 7.954 7.954 7.843 0.111 18824 7978 1 13 . 1 1 114 114 GLN N N 114 118.555 118.555 117.852 0.703 18824 7979 1 13 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.481 -0.322 18824 7980 1 13 . 1 1 114 114 GLN C C 114 175.815 175.815 174.597 1.218 18824 7981 1 13 . 1 1 114 114 GLN CA C 114 55.551 55.551 55.499 0.051 18824 7982 1 13 . 1 1 114 114 GLN CB C 114 29.023 29.023 28.896 0.127 18824 7983 1 13 . 1 1 114 114 GLN H H 114 8.121 8.121 7.625 0.496 18824 7984 1 13 . 1 1 115 115 GLU N N 115 121.589 121.589 124.604 -3.015 18824 7985 1 13 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.415 -0.285 18824 7986 1 13 . 1 1 115 115 GLU C C 115 175.637 175.637 175.664 -0.027 18824 7987 1 13 . 1 1 115 115 GLU CA C 115 55.779 55.779 55.795 -0.016 18824 7988 1 13 . 1 1 115 115 GLU CB C 115 30.038 30.038 29.932 0.106 18824 7989 1 13 . 1 1 115 115 GLU H H 115 8.164 8.164 8.709 -0.545 18824 7990 1 13 . 1 1 116 116 ALA N N 116 126.435 126.435 123.741 2.694 18824 7991 1 13 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.165 0.294 18824 7992 1 13 . 1 1 116 116 ALA CA C 116 50.094 50.094 51.996 -1.902 18824 7993 1 13 . 1 1 116 116 ALA CB C 116 17.622 17.622 18.040 -0.418 18824 7994 1 13 . 1 1 116 116 ALA H H 116 8.266 8.266 8.047 0.219 18824 7995 1 13 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.426 -0.122 18824 7996 1 13 . 1 1 117 117 PRO C C 117 177.580 177.580 176.728 0.852 18824 7997 1 13 . 1 1 117 117 PRO CA C 117 62.789 62.789 62.675 0.114 18824 7998 1 13 . 1 1 117 117 PRO CB C 117 31.812 31.812 30.611 1.201 18824 7999 1 13 . 1 1 118 118 GLY N N 118 109.304 109.304 112.505 -3.201 18824 8000 1 13 . 1 1 118 118 GLY C C 118 173.872 173.872 174.045 -0.173 18824 8001 1 13 . 1 1 118 118 GLY CA C 118 45.014 45.014 44.771 0.243 18824 8002 1 13 . 1 1 118 118 GLY H H 118 8.425 8.425 8.097 0.328 18824 8003 1 13 . 1 1 119 119 GLN N N 119 120.070 120.070 119.535 0.535 18824 8004 1 13 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.859 -0.645 18824 8005 1 13 . 1 1 119 119 GLN C C 119 174.692 174.692 176.975 -2.283 18824 8006 1 13 . 1 1 119 119 GLN CA C 119 55.442 55.442 56.403 -0.961 18824 8007 1 13 . 1 1 119 119 GLN CB C 119 29.308 29.308 30.087 -0.779 18824 8008 1 13 . 1 1 119 119 GLN H H 119 8.081 8.081 8.612 -0.531 18824 8009 1 14 . 1 1 5 5 ILE N N 5 119.691 119.691 122.004 -2.313 18824 8010 1 14 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.219 -0.161 18824 8011 1 14 . 1 1 5 5 ILE C C 5 175.649 175.649 175.682 -0.033 18824 8012 1 14 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.736 -1.140 18824 8013 1 14 . 1 1 5 5 ILE CB C 5 38.674 38.674 38.769 -0.095 18824 8014 1 14 . 1 1 5 5 ILE H H 5 8.370 8.370 8.190 0.180 18824 8015 1 14 . 1 1 6 6 ASP N N 6 126.564 126.564 128.182 -1.618 18824 8016 1 14 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.837 -0.147 18824 8017 1 14 . 1 1 6 6 ASP CA C 6 52.261 52.261 51.518 0.743 18824 8018 1 14 . 1 1 6 6 ASP CB C 6 40.555 40.555 41.635 -1.080 18824 8019 1 14 . 1 1 6 6 ASP H H 6 8.373 8.373 8.539 -0.166 18824 8020 1 14 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.357 -0.197 18824 8021 1 14 . 1 1 7 7 PRO C C 7 176.417 176.417 175.435 0.982 18824 8022 1 14 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.717 -0.666 18824 8023 1 14 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.289 -0.609 18824 8024 1 14 . 1 1 8 8 PHE N N 8 117.858 117.858 116.097 1.761 18824 8025 1 14 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.752 -0.208 18824 8026 1 14 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.606 -0.353 18824 8027 1 14 . 1 1 8 8 PHE CB C 8 38.444 38.444 42.382 -3.938 18824 8028 1 14 . 1 1 8 8 PHE H H 8 7.974 7.974 7.602 0.372 18824 8029 1 14 . 1 1 9 9 THR N N 9 112.459 112.459 118.869 -6.410 18824 8030 1 14 . 1 1 9 9 THR HA H 9 4.338 4.338 4.430 -0.092 18824 8031 1 14 . 1 1 9 9 THR C C 9 175.888 175.888 173.343 2.545 18824 8032 1 14 . 1 1 9 9 THR CA C 9 60.827 60.827 62.024 -1.197 18824 8033 1 14 . 1 1 9 9 THR CB C 9 69.387 69.387 69.804 -0.417 18824 8034 1 14 . 1 1 9 9 THR H H 9 7.927 7.927 8.455 -0.528 18824 8035 1 14 . 1 1 10 10 MET N N 10 121.338 121.338 121.345 -0.007 18824 8036 1 14 . 1 1 10 10 MET HA H 10 4.310 4.310 4.164 0.146 18824 8037 1 14 . 1 1 10 10 MET C C 10 174.386 174.386 174.342 0.044 18824 8038 1 14 . 1 1 10 10 MET CA C 10 52.415 52.415 55.861 -3.446 18824 8039 1 14 . 1 1 10 10 MET H H 10 7.648 7.648 8.623 -0.975 18824 8040 1 14 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.482 0.208 18824 8041 1 14 . 1 1 11 11 LEU CA C 11 52.606 52.606 52.636 -0.030 18824 8042 1 14 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.801 3.278 18824 8043 1 14 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.517 0.100 18824 8044 1 14 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.731 -0.466 18824 8045 1 14 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.842 -1.016 18824 8046 1 14 . 1 1 13 13 ARG N N 13 118.005 118.005 121.111 -3.106 18824 8047 1 14 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.541 -0.157 18824 8048 1 14 . 1 1 13 13 ARG C C 13 173.498 173.498 174.694 -1.196 18824 8049 1 14 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.885 -0.210 18824 8050 1 14 . 1 1 13 13 ARG CB C 13 32.565 32.565 32.978 -0.413 18824 8051 1 14 . 1 1 13 13 ARG H H 13 8.484 8.484 8.482 0.002 18824 8052 1 14 . 1 1 14 14 LEU N N 14 124.897 124.897 123.675 1.222 18824 8053 1 14 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.360 0.508 18824 8054 1 14 . 1 1 14 14 LEU C C 14 176.144 176.144 176.566 -0.422 18824 8055 1 14 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.889 -1.842 18824 8056 1 14 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.761 0.196 18824 8057 1 14 . 1 1 14 14 LEU H H 14 8.520 8.520 8.416 0.104 18824 8058 1 14 . 1 1 15 15 CYS N N 15 127.167 127.167 128.971 -1.804 18824 8059 1 14 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.554 0.037 18824 8060 1 14 . 1 1 15 15 CYS C C 15 173.408 173.408 173.654 -0.246 18824 8061 1 14 . 1 1 15 15 CYS CA C 15 57.454 57.454 59.401 -1.947 18824 8062 1 14 . 1 1 15 15 CYS CB C 15 29.325 29.325 27.150 2.175 18824 8063 1 14 . 1 1 15 15 CYS H H 15 9.247 9.247 8.911 0.336 18824 8064 1 14 . 1 1 16 16 CYS N N 16 125.133 125.133 126.233 -1.100 18824 8065 1 14 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.153 -0.417 18824 8066 1 14 . 1 1 16 16 CYS C C 16 172.784 172.784 174.380 -1.596 18824 8067 1 14 . 1 1 16 16 CYS CA C 16 58.040 58.040 58.281 -0.240 18824 8068 1 14 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.411 -0.169 18824 8069 1 14 . 1 1 16 16 CYS H H 16 9.049 9.049 8.984 0.065 18824 8070 1 14 . 1 1 17 17 LEU N N 17 124.624 124.624 123.448 1.176 18824 8071 1 14 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.951 -0.299 18824 8072 1 14 . 1 1 17 17 LEU C C 17 175.672 175.672 175.149 0.523 18824 8073 1 14 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.282 1.942 18824 8074 1 14 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.733 -0.691 18824 8075 1 14 . 1 1 17 17 LEU H H 17 8.750 8.750 8.218 0.532 18824 8076 1 14 . 1 1 18 18 GLU N N 18 121.610 121.610 119.602 2.008 18824 8077 1 14 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.876 -0.116 18824 8078 1 14 . 1 1 18 18 GLU C C 18 175.548 175.548 175.944 -0.396 18824 8079 1 14 . 1 1 18 18 GLU CA C 18 54.861 54.861 55.175 -0.314 18824 8080 1 14 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.457 -0.145 18824 8081 1 14 . 1 1 18 18 GLU H H 18 8.304 8.304 8.708 -0.404 18824 8082 1 14 . 1 1 19 19 LYS N N 19 123.922 123.922 126.109 -2.187 18824 8083 1 14 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.943 -0.833 18824 8084 1 14 . 1 1 19 19 LYS C C 19 176.635 176.635 176.485 0.150 18824 8085 1 14 . 1 1 19 19 LYS CA C 19 58.488 58.488 55.805 2.683 18824 8086 1 14 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.949 -0.624 18824 8087 1 14 . 1 1 19 19 LYS H H 19 8.131 8.131 8.716 -0.585 18824 8088 1 14 . 1 1 20 20 GLY N N 20 112.282 112.282 114.237 -1.955 18824 8089 1 14 . 1 1 20 20 GLY CA C 20 44.045 44.045 43.820 0.225 18824 8090 1 14 . 1 1 20 20 GLY H H 20 6.955 6.955 8.647 -1.692 18824 8091 1 14 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.342 -0.165 18824 8092 1 14 . 1 1 21 21 PRO C C 21 177.081 177.081 176.911 0.170 18824 8093 1 14 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.721 -0.399 18824 8094 1 14 . 1 1 21 21 PRO CB C 21 31.581 31.581 32.013 -0.432 18824 8095 1 14 . 1 1 22 22 ASN N N 22 114.637 114.637 115.913 -1.276 18824 8096 1 14 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.785 0.134 18824 8097 1 14 . 1 1 22 22 ASN C C 22 175.102 175.102 175.275 -0.173 18824 8098 1 14 . 1 1 22 22 ASN CA C 22 51.618 51.618 52.748 -1.130 18824 8099 1 14 . 1 1 22 22 ASN CB C 22 38.930 38.930 39.126 -0.195 18824 8100 1 14 . 1 1 22 22 ASN H H 22 8.462 8.462 8.320 0.142 18824 8101 1 14 . 1 1 23 23 GLY N N 23 107.193 107.193 108.947 -1.754 18824 8102 1 14 . 1 1 23 23 GLY C C 23 174.932 174.932 173.875 1.057 18824 8103 1 14 . 1 1 23 23 GLY CA C 23 44.426 44.426 46.476 -2.050 18824 8104 1 14 . 1 1 23 23 GLY H H 23 7.499 7.499 7.940 -0.441 18824 8105 1 14 . 1 1 24 24 TYR N N 24 119.910 119.910 122.464 -2.554 18824 8106 1 14 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.981 -0.672 18824 8107 1 14 . 1 1 24 24 TYR C C 24 177.188 177.188 175.772 1.416 18824 8108 1 14 . 1 1 24 24 TYR CA C 24 60.745 60.745 57.050 3.695 18824 8109 1 14 . 1 1 24 24 TYR CB C 24 40.447 40.447 41.504 -1.057 18824 8110 1 14 . 1 1 24 24 TYR H H 24 8.894 8.894 7.818 1.076 18824 8111 1 14 . 1 1 25 25 GLY N N 25 104.016 104.016 106.735 -2.719 18824 8112 1 14 . 1 1 25 25 GLY C C 25 173.020 173.020 172.825 0.195 18824 8113 1 14 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.405 0.116 18824 8114 1 14 . 1 1 25 25 GLY H H 25 8.394 8.394 8.055 0.339 18824 8115 1 14 . 1 1 26 26 PHE N N 26 110.891 110.891 117.906 -7.015 18824 8116 1 14 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.776 -0.137 18824 8117 1 14 . 1 1 26 26 PHE C C 26 172.250 172.250 173.689 -1.439 18824 8118 1 14 . 1 1 26 26 PHE CA C 26 54.106 54.106 53.852 0.254 18824 8119 1 14 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.602 0.088 18824 8120 1 14 . 1 1 26 26 PHE H H 26 6.711 6.711 7.554 -0.843 18824 8121 1 14 . 1 1 27 27 HIS N N 27 118.261 118.261 121.179 -2.918 18824 8122 1 14 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.741 0.043 18824 8123 1 14 . 1 1 27 27 HIS C C 27 174.659 174.659 173.534 1.125 18824 8124 1 14 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.257 -0.700 18824 8125 1 14 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.023 -0.179 18824 8126 1 14 . 1 1 27 27 HIS H H 27 7.964 7.964 9.238 -1.274 18824 8127 1 14 . 1 1 28 28 LEU N N 28 125.694 125.694 125.217 0.477 18824 8128 1 14 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.127 0.358 18824 8129 1 14 . 1 1 28 28 LEU C C 28 176.849 176.849 175.432 1.417 18824 8130 1 14 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.710 -0.047 18824 8131 1 14 . 1 1 28 28 LEU CB C 28 45.031 45.031 45.111 -0.080 18824 8132 1 14 . 1 1 28 28 LEU H H 28 9.554 9.554 8.762 0.792 18824 8133 1 14 . 1 1 29 29 HIS N N 29 119.263 119.263 121.388 -2.125 18824 8134 1 14 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.146 -0.385 18824 8135 1 14 . 1 1 29 29 HIS C C 29 173.447 173.447 173.638 -0.191 18824 8136 1 14 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.519 2.272 18824 8137 1 14 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.462 -0.627 18824 8138 1 14 . 1 1 29 29 HIS H H 29 9.625 9.625 9.586 0.039 18824 8139 1 14 . 1 1 30 30 GLY N N 30 110.254 110.254 109.608 0.646 18824 8140 1 14 . 1 1 30 30 GLY C C 30 172.917 172.917 173.743 -0.826 18824 8141 1 14 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.372 -0.389 18824 8142 1 14 . 1 1 30 30 GLY H H 30 8.403 8.403 8.570 -0.167 18824 8143 1 14 . 1 1 31 31 GLU N N 31 119.753 119.753 123.350 -3.597 18824 8144 1 14 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.313 -0.030 18824 8145 1 14 . 1 1 31 31 GLU C C 31 175.939 175.939 176.810 -0.871 18824 8146 1 14 . 1 1 31 31 GLU CA C 31 54.431 54.431 56.012 -1.581 18824 8147 1 14 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.678 1.665 18824 8148 1 14 . 1 1 31 31 GLU H H 31 9.060 9.060 8.621 0.439 18824 8149 1 14 . 1 1 32 32 LYS N N 32 124.046 124.046 125.067 -1.021 18824 8150 1 14 . 1 1 32 32 LYS HA H 32 3.914 3.914 3.912 0.002 18824 8151 1 14 . 1 1 32 32 LYS C C 32 177.776 177.776 177.119 0.657 18824 8152 1 14 . 1 1 32 32 LYS CA C 32 57.714 57.714 58.027 -0.313 18824 8153 1 14 . 1 1 32 32 LYS CB C 32 31.831 31.831 31.551 0.280 18824 8154 1 14 . 1 1 32 32 LYS H H 32 8.424 8.424 8.746 -0.322 18824 8155 1 14 . 1 1 33 33 GLY N N 33 113.177 113.177 114.517 -1.340 18824 8156 1 14 . 1 1 33 33 GLY C C 33 173.408 173.408 174.206 -0.798 18824 8157 1 14 . 1 1 33 33 GLY CA C 33 45.033 45.033 44.673 0.360 18824 8158 1 14 . 1 1 33 33 GLY H H 33 8.856 8.856 8.481 0.375 18824 8159 1 14 . 1 1 34 34 LYS N N 34 118.719 118.719 121.375 -2.656 18824 8160 1 14 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.626 0.014 18824 8161 1 14 . 1 1 34 34 LYS C C 34 176.528 176.528 176.863 -0.335 18824 8162 1 14 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.569 -1.012 18824 8163 1 14 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.469 1.394 18824 8164 1 14 . 1 1 34 34 LYS H H 34 7.790 7.790 8.173 -0.383 18824 8165 1 14 . 1 1 35 35 LEU N N 35 124.084 124.084 117.370 6.714 18824 8166 1 14 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.674 -0.189 18824 8167 1 14 . 1 1 35 35 LEU C C 35 177.646 177.646 176.152 1.494 18824 8168 1 14 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.187 0.475 18824 8169 1 14 . 1 1 35 35 LEU CB C 35 42.676 42.676 41.334 1.342 18824 8170 1 14 . 1 1 35 35 LEU H H 35 8.759 8.759 8.536 0.223 18824 8171 1 14 . 1 1 36 36 GLY N N 36 110.962 110.962 105.315 5.647 18824 8172 1 14 . 1 1 36 36 GLY C C 36 173.070 173.070 172.767 0.303 18824 8173 1 14 . 1 1 36 36 GLY CA C 36 44.526 44.526 44.021 0.505 18824 8174 1 14 . 1 1 36 36 GLY H H 36 8.533 8.533 7.209 1.324 18824 8175 1 14 . 1 1 37 37 GLN N N 37 117.136 117.136 119.894 -2.758 18824 8176 1 14 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.613 -0.124 18824 8177 1 14 . 1 1 37 37 GLN C C 37 173.925 173.925 174.611 -0.686 18824 8178 1 14 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.907 -0.101 18824 8179 1 14 . 1 1 37 37 GLN CB C 37 31.843 31.843 30.877 0.966 18824 8180 1 14 . 1 1 37 37 GLN H H 37 8.885 8.885 8.396 0.489 18824 8181 1 14 . 1 1 38 38 TYR N N 38 119.053 119.053 120.287 -1.234 18824 8182 1 14 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.158 0.037 18824 8183 1 14 . 1 1 38 38 TYR C C 38 176.110 176.110 175.466 0.644 18824 8184 1 14 . 1 1 38 38 TYR CA C 38 55.230 55.230 55.790 -0.560 18824 8185 1 14 . 1 1 38 38 TYR CB C 38 41.982 41.982 41.838 0.144 18824 8186 1 14 . 1 1 38 38 TYR H H 38 8.719 8.719 9.120 -0.401 18824 8187 1 14 . 1 1 39 39 ILE N N 39 120.624 120.624 121.556 -0.932 18824 8188 1 14 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.323 -0.073 18824 8189 1 14 . 1 1 39 39 ILE C C 39 175.797 175.797 176.537 -0.740 18824 8190 1 14 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.380 -2.149 18824 8191 1 14 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.683 -1.289 18824 8192 1 14 . 1 1 39 39 ILE H H 39 9.208 9.208 8.950 0.258 18824 8193 1 14 . 1 1 40 40 ARG N N 40 130.372 130.372 127.532 2.840 18824 8194 1 14 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.460 -0.373 18824 8195 1 14 . 1 1 40 40 ARG C C 40 174.846 174.846 175.595 -0.749 18824 8196 1 14 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.053 0.557 18824 8197 1 14 . 1 1 40 40 ARG CB C 40 31.315 31.315 32.856 -1.541 18824 8198 1 14 . 1 1 40 40 ARG H H 40 9.240 9.240 9.215 0.025 18824 8199 1 14 . 1 1 41 41 LEU N N 41 116.642 116.642 120.625 -3.983 18824 8200 1 14 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.721 -0.363 18824 8201 1 14 . 1 1 41 41 LEU C C 41 173.658 173.658 174.595 -0.937 18824 8202 1 14 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.396 0.289 18824 8203 1 14 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.862 -0.647 18824 8204 1 14 . 1 1 41 41 LEU H H 41 7.130 7.130 8.018 -0.888 18824 8205 1 14 . 1 1 42 42 VAL N N 42 125.934 125.934 123.406 2.528 18824 8206 1 14 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.617 -0.262 18824 8207 1 14 . 1 1 42 42 VAL C C 42 175.548 175.548 175.777 -0.229 18824 8208 1 14 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.659 0.594 18824 8209 1 14 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.726 -0.503 18824 8210 1 14 . 1 1 42 42 VAL H H 42 8.731 8.731 8.475 0.256 18824 8211 1 14 . 1 1 43 43 GLU N N 43 128.285 128.285 128.807 -0.522 18824 8212 1 14 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.678 -0.357 18824 8213 1 14 . 1 1 43 43 GLU CA C 43 54.660 54.660 53.825 0.835 18824 8214 1 14 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.988 -1.259 18824 8215 1 14 . 1 1 43 43 GLU H H 43 9.102 9.102 9.091 0.011 18824 8216 1 14 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.614 -0.174 18824 8217 1 14 . 1 1 44 44 PRO C C 44 178.222 178.222 177.600 0.622 18824 8218 1 14 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.114 0.185 18824 8219 1 14 . 1 1 44 44 PRO CB C 44 31.388 31.388 31.327 0.061 18824 8220 1 14 . 1 1 45 45 GLY N N 45 113.166 113.166 114.788 -1.622 18824 8221 1 14 . 1 1 45 45 GLY C C 45 173.515 173.515 174.037 -0.522 18824 8222 1 14 . 1 1 45 45 GLY CA C 45 45.525 45.525 44.883 0.642 18824 8223 1 14 . 1 1 45 45 GLY H H 45 9.416 9.416 9.760 -0.344 18824 8224 1 14 . 1 1 46 46 SER N N 46 114.219 114.219 116.253 -2.034 18824 8225 1 14 . 1 1 46 46 SER HA H 46 4.670 4.670 4.998 -0.328 18824 8226 1 14 . 1 1 46 46 SER CA C 46 57.103 57.103 55.661 1.442 18824 8227 1 14 . 1 1 46 46 SER CB C 46 64.458 64.458 64.937 -0.479 18824 8228 1 14 . 1 1 46 46 SER H H 46 7.422 7.422 7.746 -0.324 18824 8229 1 14 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.367 -0.080 18824 8230 1 14 . 1 1 47 47 PRO C C 47 179.487 179.487 177.650 1.837 18824 8231 1 14 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.531 0.806 18824 8232 1 14 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.799 0.540 18824 8233 1 14 . 1 1 48 48 ALA N N 48 116.941 116.941 121.830 -4.889 18824 8234 1 14 . 1 1 48 48 ALA HA H 48 3.808 3.808 4.044 -0.236 18824 8235 1 14 . 1 1 48 48 ALA C C 48 177.063 177.063 179.687 -2.624 18824 8236 1 14 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.221 -0.111 18824 8237 1 14 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.195 1.979 18824 8238 1 14 . 1 1 48 48 ALA H H 48 7.855 7.855 7.858 -0.003 18824 8239 1 14 . 1 1 49 49 GLU N N 49 120.064 120.064 117.913 2.151 18824 8240 1 14 . 1 1 49 49 GLU HA H 49 3.854 3.854 3.983 -0.129 18824 8241 1 14 . 1 1 49 49 GLU C C 49 181.038 181.038 178.830 2.208 18824 8242 1 14 . 1 1 49 49 GLU CA C 49 59.181 59.181 59.020 0.161 18824 8243 1 14 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.591 0.079 18824 8244 1 14 . 1 1 49 49 GLU H H 49 7.732 7.732 7.820 -0.088 18824 8245 1 14 . 1 1 50 50 LYS N N 50 120.570 120.570 116.861 3.709 18824 8246 1 14 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.161 -0.237 18824 8247 1 14 . 1 1 50 50 LYS C C 50 177.580 177.580 177.316 0.264 18824 8248 1 14 . 1 1 50 50 LYS CA C 50 58.780 58.780 57.867 0.913 18824 8249 1 14 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.383 -0.579 18824 8250 1 14 . 1 1 50 50 LYS H H 50 8.156 8.156 7.532 0.624 18824 8251 1 14 . 1 1 51 51 ALA N N 51 117.482 117.482 118.708 -1.226 18824 8252 1 14 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.297 0.011 18824 8253 1 14 . 1 1 51 51 ALA C C 51 177.509 177.509 176.892 0.617 18824 8254 1 14 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.320 -0.202 18824 8255 1 14 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.764 0.431 18824 8256 1 14 . 1 1 51 51 ALA H H 51 7.730 7.730 7.250 0.480 18824 8257 1 14 . 1 1 52 52 GLY N N 52 103.549 103.549 105.076 -1.527 18824 8258 1 14 . 1 1 52 52 GLY C C 52 174.888 174.888 174.221 0.667 18824 8259 1 14 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.623 0.400 18824 8260 1 14 . 1 1 52 52 GLY H H 52 7.513 7.513 7.367 0.146 18824 8261 1 14 . 1 1 53 53 LEU N N 53 120.806 120.806 122.179 -1.373 18824 8262 1 14 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.464 -0.608 18824 8263 1 14 . 1 1 53 53 LEU C C 53 174.692 174.692 175.887 -1.195 18824 8264 1 14 . 1 1 53 53 LEU CA C 53 55.190 55.190 54.701 0.489 18824 8265 1 14 . 1 1 53 53 LEU CB C 53 42.994 42.994 41.790 1.204 18824 8266 1 14 . 1 1 53 53 LEU H H 53 7.420 7.420 8.022 -0.602 18824 8267 1 14 . 1 1 54 54 LEU N N 54 122.726 122.726 123.643 -0.917 18824 8268 1 14 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.651 -0.146 18824 8269 1 14 . 1 1 54 54 LEU C C 54 176.350 176.350 175.242 1.108 18824 8270 1 14 . 1 1 54 54 LEU CA C 54 52.981 52.981 54.072 -1.091 18824 8271 1 14 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.611 -1.047 18824 8272 1 14 . 1 1 54 54 LEU H H 54 8.546 8.546 8.326 0.220 18824 8273 1 14 . 1 1 55 55 ALA N N 55 122.735 122.735 127.578 -4.843 18824 8274 1 14 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.355 -0.624 18824 8275 1 14 . 1 1 55 55 ALA C C 55 179.077 179.077 177.184 1.893 18824 8276 1 14 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.326 -0.326 18824 8277 1 14 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.828 -0.760 18824 8278 1 14 . 1 1 55 55 ALA H H 55 8.551 8.551 8.660 -0.109 18824 8279 1 14 . 1 1 56 56 GLY N N 56 112.553 112.553 112.110 0.443 18824 8280 1 14 . 1 1 56 56 GLY C C 56 174.638 174.638 174.279 0.359 18824 8281 1 14 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.049 -0.568 18824 8282 1 14 . 1 1 56 56 GLY H H 56 9.450 9.450 8.255 1.195 18824 8283 1 14 . 1 1 57 57 ASP N N 57 121.912 121.912 124.522 -2.610 18824 8284 1 14 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.591 -0.044 18824 8285 1 14 . 1 1 57 57 ASP C C 57 174.539 174.539 174.929 -0.390 18824 8286 1 14 . 1 1 57 57 ASP CA C 57 55.157 55.157 56.231 -1.074 18824 8287 1 14 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.570 -0.086 18824 8288 1 14 . 1 1 57 57 ASP H H 57 7.948 7.948 8.070 -0.122 18824 8289 1 14 . 1 1 58 58 ARG N N 58 122.512 122.512 123.470 -0.958 18824 8290 1 14 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.860 -0.879 18824 8291 1 14 . 1 1 58 58 ARG C C 58 175.512 175.512 175.359 0.153 18824 8292 1 14 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.961 -0.792 18824 8293 1 14 . 1 1 58 58 ARG CB C 58 32.435 32.435 32.132 0.303 18824 8294 1 14 . 1 1 58 58 ARG H H 58 8.570 8.570 8.934 -0.364 18824 8295 1 14 . 1 1 59 59 LEU N N 59 126.506 126.506 128.579 -2.073 18824 8296 1 14 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.267 -0.208 18824 8297 1 14 . 1 1 59 59 LEU C C 59 174.420 174.420 175.403 -0.983 18824 8298 1 14 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.327 -0.148 18824 8299 1 14 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.188 0.287 18824 8300 1 14 . 1 1 59 59 LEU H H 59 7.917 7.917 8.825 -0.908 18824 8301 1 14 . 1 1 60 60 VAL N N 60 124.914 124.914 125.722 -0.808 18824 8302 1 14 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.100 -0.190 18824 8303 1 14 . 1 1 60 60 VAL CA C 60 63.788 63.788 63.407 0.381 18824 8304 1 14 . 1 1 60 60 VAL CB C 60 32.805 32.805 32.666 0.139 18824 8305 1 14 . 1 1 60 60 VAL H H 60 8.781 8.781 9.153 -0.372 18824 8306 1 14 . 1 1 61 61 GLU N N 61 112.868 112.868 119.568 -6.700 18824 8307 1 14 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.307 -0.095 18824 8308 1 14 . 1 1 61 61 GLU C C 61 175.717 175.717 174.274 1.443 18824 8309 1 14 . 1 1 61 61 GLU CA C 61 54.186 54.186 54.823 -0.637 18824 8310 1 14 . 1 1 61 61 GLU CB C 61 34.458 34.458 34.176 0.282 18824 8311 1 14 . 1 1 61 61 GLU H H 61 7.332 7.332 7.939 -0.607 18824 8312 1 14 . 1 1 62 62 VAL N N 62 118.357 118.357 123.911 -5.554 18824 8313 1 14 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.856 -0.534 18824 8314 1 14 . 1 1 62 62 VAL C C 62 175.495 175.495 175.924 -0.429 18824 8315 1 14 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.944 -0.194 18824 8316 1 14 . 1 1 62 62 VAL CB C 62 33.376 33.376 33.323 0.053 18824 8317 1 14 . 1 1 62 62 VAL H H 62 8.342 8.342 8.742 -0.400 18824 8318 1 14 . 1 1 63 63 ASN N N 63 129.063 129.063 127.938 1.125 18824 8319 1 14 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.322 -0.143 18824 8320 1 14 . 1 1 63 63 ASN C C 63 175.051 175.051 175.040 0.011 18824 8321 1 14 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.317 -0.673 18824 8322 1 14 . 1 1 63 63 ASN CB C 63 36.328 36.328 37.201 -0.873 18824 8323 1 14 . 1 1 63 63 ASN H H 63 9.830 9.830 9.411 0.419 18824 8324 1 14 . 1 1 64 64 GLY N N 64 103.346 103.346 102.177 1.169 18824 8325 1 14 . 1 1 64 64 GLY C C 64 173.276 173.276 173.453 -0.177 18824 8326 1 14 . 1 1 64 64 GLY CA C 64 45.043 45.043 44.797 0.246 18824 8327 1 14 . 1 1 64 64 GLY H H 64 9.222 9.222 8.669 0.553 18824 8328 1 14 . 1 1 65 65 GLU N N 65 119.230 119.230 121.039 -1.809 18824 8329 1 14 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.469 0.020 18824 8330 1 14 . 1 1 65 65 GLU C C 65 174.745 174.745 175.027 -0.282 18824 8331 1 14 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.293 0.398 18824 8332 1 14 . 1 1 65 65 GLU CB C 65 30.802 30.802 31.586 -0.784 18824 8333 1 14 . 1 1 65 65 GLU H H 65 7.553 7.553 7.522 0.031 18824 8334 1 14 . 1 1 66 66 ASN N N 66 123.478 123.478 126.668 -3.190 18824 8335 1 14 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.815 -0.127 18824 8336 1 14 . 1 1 66 66 ASN C C 66 176.144 176.144 175.297 0.847 18824 8337 1 14 . 1 1 66 66 ASN CA C 66 55.224 55.224 53.177 2.047 18824 8338 1 14 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.449 1.140 18824 8339 1 14 . 1 1 66 66 ASN H H 66 8.865 8.865 8.988 -0.123 18824 8340 1 14 . 1 1 67 67 VAL N N 67 117.695 117.695 119.653 -1.958 18824 8341 1 14 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.707 -0.204 18824 8342 1 14 . 1 1 67 67 VAL C C 67 177.475 177.475 176.960 0.515 18824 8343 1 14 . 1 1 67 67 VAL CA C 67 59.756 59.756 61.575 -1.819 18824 8344 1 14 . 1 1 67 67 VAL CB C 67 31.321 31.321 31.173 0.148 18824 8345 1 14 . 1 1 67 67 VAL H H 67 8.210 8.210 8.285 -0.075 18824 8346 1 14 . 1 1 68 68 GLU N N 68 122.899 122.899 121.959 0.940 18824 8347 1 14 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.099 -0.178 18824 8348 1 14 . 1 1 68 68 GLU C C 68 177.348 177.348 176.680 0.668 18824 8349 1 14 . 1 1 68 68 GLU CA C 68 59.762 59.762 59.361 0.401 18824 8350 1 14 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.572 1.638 18824 8351 1 14 . 1 1 68 68 GLU H H 68 8.427 8.427 8.574 -0.147 18824 8352 1 14 . 1 1 69 69 LYS N N 69 113.848 113.848 113.740 0.108 18824 8353 1 14 . 1 1 69 69 LYS HA H 69 4.414 4.414 5.118 -0.704 18824 8354 1 14 . 1 1 69 69 LYS C C 69 176.510 176.510 175.755 0.755 18824 8355 1 14 . 1 1 69 69 LYS CA C 69 54.675 54.675 54.574 0.101 18824 8356 1 14 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.667 -0.905 18824 8357 1 14 . 1 1 69 69 LYS H H 69 8.576 8.576 7.895 0.681 18824 8358 1 14 . 1 1 70 70 GLU N N 70 119.980 119.980 122.161 -2.181 18824 8359 1 14 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.469 -0.108 18824 8360 1 14 . 1 1 70 70 GLU C C 70 176.831 176.831 176.002 0.829 18824 8361 1 14 . 1 1 70 70 GLU CA C 70 56.329 56.329 55.819 0.510 18824 8362 1 14 . 1 1 70 70 GLU CB C 70 31.293 31.293 30.824 0.469 18824 8363 1 14 . 1 1 70 70 GLU H H 70 6.994 6.994 7.473 -0.479 18824 8364 1 14 . 1 1 71 71 THR N N 71 110.696 110.696 112.819 -2.123 18824 8365 1 14 . 1 1 71 71 THR HA H 71 4.270 4.270 4.596 -0.326 18824 8366 1 14 . 1 1 71 71 THR C C 71 174.812 174.812 175.471 -0.659 18824 8367 1 14 . 1 1 71 71 THR CA C 71 60.267 60.267 60.878 -0.611 18824 8368 1 14 . 1 1 71 71 THR CB C 71 71.497 71.497 70.809 0.688 18824 8369 1 14 . 1 1 71 71 THR H H 71 8.675 8.675 8.177 0.498 18824 8370 1 14 . 1 1 72 72 HIS N N 72 118.876 118.876 120.222 -1.346 18824 8371 1 14 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.077 -0.493 18824 8372 1 14 . 1 1 72 72 HIS C C 72 175.802 175.802 177.246 -1.444 18824 8373 1 14 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.513 -0.796 18824 8374 1 14 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.907 -1.623 18824 8375 1 14 . 1 1 72 72 HIS H H 72 9.171 9.171 8.757 0.414 18824 8376 1 14 . 1 1 73 73 GLN N N 73 115.563 115.563 117.763 -2.200 18824 8377 1 14 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.089 -0.320 18824 8378 1 14 . 1 1 73 73 GLN C C 73 179.060 179.060 178.332 0.728 18824 8379 1 14 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.148 -0.405 18824 8380 1 14 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.269 -0.476 18824 8381 1 14 . 1 1 73 73 GLN H H 73 8.666 8.666 8.779 -0.113 18824 8382 1 14 . 1 1 74 74 GLN N N 74 119.687 119.687 118.315 1.372 18824 8383 1 14 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.072 -0.235 18824 8384 1 14 . 1 1 74 74 GLN C C 74 179.309 179.309 178.803 0.506 18824 8385 1 14 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.507 0.216 18824 8386 1 14 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.592 0.162 18824 8387 1 14 . 1 1 74 74 GLN H H 74 7.614 7.614 7.617 -0.003 18824 8388 1 14 . 1 1 75 75 VAL N N 75 120.633 120.633 116.119 4.514 18824 8389 1 14 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.756 -0.432 18824 8390 1 14 . 1 1 75 75 VAL C C 75 178.031 178.031 177.823 0.208 18824 8391 1 14 . 1 1 75 75 VAL CA C 75 67.423 67.423 65.982 1.441 18824 8392 1 14 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.401 -0.331 18824 8393 1 14 . 1 1 75 75 VAL H H 75 8.289 8.289 8.059 0.230 18824 8394 1 14 . 1 1 76 76 VAL N N 76 118.966 118.966 120.937 -1.971 18824 8395 1 14 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.454 -0.126 18824 8396 1 14 . 1 1 76 76 VAL C C 76 178.739 178.739 177.908 0.831 18824 8397 1 14 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.882 -0.023 18824 8398 1 14 . 1 1 76 76 VAL CB C 76 30.847 30.847 30.945 -0.098 18824 8399 1 14 . 1 1 76 76 VAL H H 76 8.364 8.364 8.188 0.176 18824 8400 1 14 . 1 1 77 77 SER N N 77 115.158 115.158 115.019 0.139 18824 8401 1 14 . 1 1 77 77 SER HA H 77 3.994 3.994 4.134 -0.140 18824 8402 1 14 . 1 1 77 77 SER C C 77 176.849 176.849 176.673 0.176 18824 8403 1 14 . 1 1 77 77 SER CA C 77 62.162 62.162 61.864 0.298 18824 8404 1 14 . 1 1 77 77 SER CB C 77 62.232 62.232 62.949 -0.717 18824 8405 1 14 . 1 1 77 77 SER H H 77 7.871 7.871 8.406 -0.535 18824 8406 1 14 . 1 1 78 78 ARG N N 78 121.310 121.310 120.368 0.942 18824 8407 1 14 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.091 -0.169 18824 8408 1 14 . 1 1 78 78 ARG C C 78 179.309 179.309 178.917 0.392 18824 8409 1 14 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.764 -0.015 18824 8410 1 14 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.194 0.085 18824 8411 1 14 . 1 1 78 78 ARG H H 78 7.469 7.469 7.355 0.114 18824 8412 1 14 . 1 1 79 79 ILE N N 79 119.383 119.383 119.983 -0.600 18824 8413 1 14 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.821 -0.418 18824 8414 1 14 . 1 1 79 79 ILE C C 79 178.364 178.364 178.510 -0.146 18824 8415 1 14 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.731 -0.441 18824 8416 1 14 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.794 -0.570 18824 8417 1 14 . 1 1 79 79 ILE H H 79 7.759 7.759 8.141 -0.382 18824 8418 1 14 . 1 1 80 80 ARG N N 80 119.497 119.497 118.502 0.995 18824 8419 1 14 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.168 -0.190 18824 8420 1 14 . 1 1 80 80 ARG C C 80 177.544 177.544 177.442 0.102 18824 8421 1 14 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.331 1.399 18824 8422 1 14 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.278 0.550 18824 8423 1 14 . 1 1 80 80 ARG H H 80 8.407 8.407 8.439 -0.032 18824 8424 1 14 . 1 1 81 81 ALA N N 81 118.814 118.814 119.596 -0.782 18824 8425 1 14 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.321 -0.260 18824 8426 1 14 . 1 1 81 81 ALA C C 81 177.473 177.473 177.418 0.055 18824 8427 1 14 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.438 0.368 18824 8428 1 14 . 1 1 81 81 ALA CB C 81 18.604 18.604 19.089 -0.485 18824 8429 1 14 . 1 1 81 81 ALA H H 81 7.392 7.392 7.361 0.031 18824 8430 1 14 . 1 1 82 82 ALA N N 82 121.771 121.771 121.166 0.605 18824 8431 1 14 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.171 0.139 18824 8432 1 14 . 1 1 82 82 ALA C C 82 177.384 177.384 177.473 -0.089 18824 8433 1 14 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.592 -0.988 18824 8434 1 14 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.464 -1.873 18824 8435 1 14 . 1 1 82 82 ALA H H 82 7.182 7.182 7.172 0.010 18824 8436 1 14 . 1 1 83 83 LEU N N 83 122.357 122.357 123.200 -0.843 18824 8437 1 14 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.124 -0.133 18824 8438 1 14 . 1 1 83 83 LEU C C 83 177.366 177.366 178.155 -0.789 18824 8439 1 14 . 1 1 83 83 LEU CA C 83 56.977 56.977 58.341 -1.364 18824 8440 1 14 . 1 1 83 83 LEU CB C 83 40.986 40.986 41.934 -0.948 18824 8441 1 14 . 1 1 83 83 LEU H H 83 8.171 8.171 8.786 -0.615 18824 8442 1 14 . 1 1 84 84 ASN N N 84 114.897 114.897 112.150 2.747 18824 8443 1 14 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.766 -0.148 18824 8444 1 14 . 1 1 84 84 ASN C C 84 173.651 173.651 174.207 -0.556 18824 8445 1 14 . 1 1 84 84 ASN CA C 84 54.194 54.194 52.834 1.359 18824 8446 1 14 . 1 1 84 84 ASN CB C 84 39.903 39.903 39.056 0.847 18824 8447 1 14 . 1 1 84 84 ASN H H 84 8.565 8.565 8.402 0.163 18824 8448 1 14 . 1 1 85 85 ALA N N 85 124.026 124.026 121.039 2.987 18824 8449 1 14 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.099 -0.028 18824 8450 1 14 . 1 1 85 85 ALA C C 85 175.751 175.751 174.847 0.904 18824 8451 1 14 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.678 0.432 18824 8452 1 14 . 1 1 85 85 ALA CB C 85 21.156 21.156 21.938 -0.782 18824 8453 1 14 . 1 1 85 85 ALA H H 85 7.808 7.808 7.449 0.359 18824 8454 1 14 . 1 1 86 86 VAL N N 86 116.130 116.130 119.431 -3.301 18824 8455 1 14 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.348 0.244 18824 8456 1 14 . 1 1 86 86 VAL C C 86 171.876 171.876 174.090 -2.214 18824 8457 1 14 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.799 -0.051 18824 8458 1 14 . 1 1 86 86 VAL CB C 86 34.893 34.893 36.088 -1.195 18824 8459 1 14 . 1 1 86 86 VAL H H 86 8.432 8.432 8.747 -0.315 18824 8460 1 14 . 1 1 87 87 ARG N N 87 124.913 124.913 126.192 -1.279 18824 8461 1 14 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.656 0.342 18824 8462 1 14 . 1 1 87 87 ARG C C 87 175.316 175.316 175.334 -0.018 18824 8463 1 14 . 1 1 87 87 ARG CA C 87 53.991 53.991 55.194 -1.204 18824 8464 1 14 . 1 1 87 87 ARG CB C 87 31.805 31.805 30.721 1.084 18824 8465 1 14 . 1 1 87 87 ARG H H 87 8.255 8.255 8.535 -0.280 18824 8466 1 14 . 1 1 88 88 LEU N N 88 125.141 125.141 126.175 -1.034 18824 8467 1 14 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.920 0.030 18824 8468 1 14 . 1 1 88 88 LEU C C 88 173.836 173.836 174.891 -1.055 18824 8469 1 14 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.494 -1.113 18824 8470 1 14 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.383 -0.431 18824 8471 1 14 . 1 1 88 88 LEU H H 88 9.041 9.041 9.059 -0.018 18824 8472 1 14 . 1 1 89 89 LEU N N 89 126.927 126.927 128.314 -1.387 18824 8473 1 14 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.735 0.442 18824 8474 1 14 . 1 1 89 89 LEU C C 89 175.726 175.726 174.704 1.022 18824 8475 1 14 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.771 -0.062 18824 8476 1 14 . 1 1 89 89 LEU CB C 89 43.514 43.514 44.224 -0.710 18824 8477 1 14 . 1 1 89 89 LEU H H 89 8.484 8.484 8.682 -0.198 18824 8478 1 14 . 1 1 90 90 VAL N N 90 119.770 119.770 123.149 -3.379 18824 8479 1 14 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.347 0.091 18824 8480 1 14 . 1 1 90 90 VAL C C 90 174.157 174.157 173.412 0.745 18824 8481 1 14 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.898 -0.927 18824 8482 1 14 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.222 1.634 18824 8483 1 14 . 1 1 90 90 VAL H H 90 9.001 9.001 7.875 1.126 18824 8484 1 14 . 1 1 91 91 VAL N N 91 112.698 112.698 119.845 -7.147 18824 8485 1 14 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.534 0.175 18824 8486 1 14 . 1 1 91 91 VAL C C 91 173.993 173.993 174.136 -0.143 18824 8487 1 14 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.277 -0.294 18824 8488 1 14 . 1 1 91 91 VAL CB C 91 35.466 35.466 35.515 -0.049 18824 8489 1 14 . 1 1 91 91 VAL H H 91 8.011 8.011 8.219 -0.208 18824 8490 1 14 . 1 1 92 92 ASP N N 92 127.066 127.066 127.209 -0.143 18824 8491 1 14 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.688 0.318 18824 8492 1 14 . 1 1 92 92 ASP CA C 92 53.078 53.078 52.396 0.682 18824 8493 1 14 . 1 1 92 92 ASP CB C 92 39.764 39.764 41.635 -1.871 18824 8494 1 14 . 1 1 92 92 ASP H H 92 7.878 7.878 8.727 -0.849 18824 8495 1 14 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.221 0.182 18824 8496 1 14 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.350 0.513 18824 8497 1 14 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.939 0.282 18824 8498 1 14 . 1 1 94 94 GLU N N 94 119.504 119.504 117.906 1.598 18824 8499 1 14 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.043 0.007 18824 8500 1 14 . 1 1 94 94 GLU C C 94 179.182 179.182 178.637 0.545 18824 8501 1 14 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.785 -0.567 18824 8502 1 14 . 1 1 94 94 GLU CB C 94 28.950 28.950 29.092 -0.142 18824 8503 1 14 . 1 1 94 94 GLU H H 94 8.156 8.156 7.834 0.322 18824 8504 1 14 . 1 1 95 95 THR N N 95 120.651 120.651 116.173 4.478 18824 8505 1 14 . 1 1 95 95 THR HA H 95 3.751 3.751 4.008 -0.257 18824 8506 1 14 . 1 1 95 95 THR C C 95 175.888 175.888 176.102 -0.214 18824 8507 1 14 . 1 1 95 95 THR CA C 95 65.764 65.764 66.980 -1.216 18824 8508 1 14 . 1 1 95 95 THR CB C 95 67.338 67.338 68.368 -1.030 18824 8509 1 14 . 1 1 95 95 THR H H 95 8.315 8.315 8.906 -0.591 18824 8510 1 14 . 1 1 96 96 ASP N N 96 120.554 120.554 121.803 -1.249 18824 8511 1 14 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.319 -0.086 18824 8512 1 14 . 1 1 96 96 ASP C C 96 178.275 178.275 177.857 0.418 18824 8513 1 14 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.815 -1.594 18824 8514 1 14 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.882 0.156 18824 8515 1 14 . 1 1 96 96 ASP H H 96 8.381 8.381 8.520 -0.139 18824 8516 1 14 . 1 1 97 97 GLU N N 97 117.457 117.457 119.592 -2.135 18824 8517 1 14 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.897 -0.032 18824 8518 1 14 . 1 1 97 97 GLU C C 97 178.790 178.790 178.884 -0.094 18824 8519 1 14 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.520 -0.312 18824 8520 1 14 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.659 -0.613 18824 8521 1 14 . 1 1 97 97 GLU H H 97 7.727 7.727 7.774 -0.047 18824 8522 1 14 . 1 1 98 98 GLN N N 98 118.704 118.704 117.835 0.869 18824 8523 1 14 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.094 -0.120 18824 8524 1 14 . 1 1 98 98 GLN C C 98 178.756 178.756 178.528 0.228 18824 8525 1 14 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.213 0.027 18824 8526 1 14 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.598 -0.666 18824 8527 1 14 . 1 1 98 98 GLN H H 98 7.733 7.733 7.484 0.249 18824 8528 1 14 . 1 1 99 99 LEU N N 99 119.242 119.242 121.050 -1.808 18824 8529 1 14 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.972 -0.058 18824 8530 1 14 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.559 0.160 18824 8531 1 14 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.724 -1.841 18824 8532 1 14 . 1 1 99 99 LEU H H 99 8.494 8.494 8.354 0.140 18824 8533 1 14 . 1 1 100 100 GLN N N 100 118.689 118.689 117.130 1.559 18824 8534 1 14 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.065 -0.101 18824 8535 1 14 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.209 0.425 18824 8536 1 14 . 1 1 100 100 GLN CB C 100 27.718 27.718 27.791 -0.073 18824 8537 1 14 . 1 1 100 100 GLN H H 100 8.202 8.202 8.443 -0.241 18824 8538 1 14 . 1 1 101 101 LYS N N 101 120.369 120.369 119.032 1.337 18824 8539 1 14 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.148 -0.214 18824 8540 1 14 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.281 0.461 18824 8541 1 14 . 1 1 101 101 LYS CB C 101 31.861 31.861 31.428 0.433 18824 8542 1 14 . 1 1 101 101 LYS H H 101 7.783 7.783 8.038 -0.255 18824 8543 1 14 . 1 1 102 102 LEU N N 102 117.862 117.862 118.439 -0.577 18824 8544 1 14 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.302 -0.145 18824 8545 1 14 . 1 1 102 102 LEU C C 102 177.526 177.526 177.210 0.316 18824 8546 1 14 . 1 1 102 102 LEU CA C 102 55.174 55.174 54.558 0.616 18824 8547 1 14 . 1 1 102 102 LEU CB C 102 42.966 42.966 41.835 1.131 18824 8548 1 14 . 1 1 102 102 LEU H H 102 7.512 7.512 7.310 0.202 18824 8549 1 14 . 1 1 103 103 GLY N N 103 108.863 108.863 107.704 1.159 18824 8550 1 14 . 1 1 103 103 GLY C C 103 174.353 174.353 174.594 -0.241 18824 8551 1 14 . 1 1 103 103 GLY CA C 103 45.565 45.565 45.457 0.108 18824 8552 1 14 . 1 1 103 103 GLY H H 103 7.851 7.851 7.560 0.291 18824 8553 1 14 . 1 1 104 104 VAL N N 104 120.506 120.506 118.959 1.547 18824 8554 1 14 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.198 -0.346 18824 8555 1 14 . 1 1 104 104 VAL CA C 104 61.751 61.751 61.541 0.210 18824 8556 1 14 . 1 1 104 104 VAL CB C 104 32.824 32.824 32.727 0.097 18824 8557 1 14 . 1 1 104 104 VAL H H 104 7.726 7.726 7.411 0.315 18824 8558 1 14 . 1 1 105 105 GLN N N 105 124.776 124.776 127.226 -2.450 18824 8559 1 14 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.337 -0.230 18824 8560 1 14 . 1 1 105 105 GLN CA C 105 55.170 55.170 55.610 -0.440 18824 8561 1 14 . 1 1 105 105 GLN CB C 105 28.783 28.783 26.404 2.378 18824 8562 1 14 . 1 1 105 105 GLN H H 105 8.245 8.245 9.001 -0.756 18824 8563 1 14 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.668 -0.207 18824 8564 1 14 . 1 1 106 106 VAL C C 106 179.182 179.182 176.427 2.755 18824 8565 1 14 . 1 1 106 106 VAL CA C 106 64.553 64.553 65.605 -1.052 18824 8566 1 14 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.784 -1.475 18824 8567 1 14 . 1 1 106 106 VAL H H 106 8.504 8.504 8.010 0.494 18824 8568 1 14 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.073 0.167 18824 8569 1 14 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.188 -0.569 18824 8570 1 14 . 1 1 108 108 GLU CA C 108 59.746 59.746 57.816 1.930 18824 8571 1 14 . 1 1 108 108 GLU CB C 108 29.234 29.234 29.540 -0.306 18824 8572 1 14 . 1 1 108 108 GLU H H 108 8.690 8.690 7.643 1.047 18824 8573 1 14 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.111 -0.069 18824 8574 1 14 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.406 -1.046 18824 8575 1 14 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.827 0.293 18824 8576 1 14 . 1 1 111 111 LEU N N 111 116.974 116.974 115.420 1.554 18824 8577 1 14 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.114 -0.031 18824 8578 1 14 . 1 1 111 111 LEU C C 111 177.598 177.598 178.441 -0.843 18824 8579 1 14 . 1 1 111 111 LEU CA C 111 55.628 55.628 56.477 -0.849 18824 8580 1 14 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.609 -0.632 18824 8581 1 14 . 1 1 111 111 LEU H H 111 7.791 7.791 7.658 0.133 18824 8582 1 14 . 1 1 112 112 ARG N N 112 119.231 119.231 118.585 0.646 18824 8583 1 14 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.071 0.081 18824 8584 1 14 . 1 1 112 112 ARG C C 112 176.246 176.246 176.253 -0.007 18824 8585 1 14 . 1 1 112 112 ARG CA C 112 56.180 56.180 58.501 -2.321 18824 8586 1 14 . 1 1 112 112 ARG CB C 112 30.340 30.340 30.961 -0.621 18824 8587 1 14 . 1 1 112 112 ARG H H 112 7.528 7.528 7.725 -0.197 18824 8588 1 14 . 1 1 113 113 ALA N N 113 123.896 123.896 118.954 4.942 18824 8589 1 14 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.241 -0.102 18824 8590 1 14 . 1 1 113 113 ALA C C 113 177.783 177.783 175.638 2.145 18824 8591 1 14 . 1 1 113 113 ALA CA C 113 52.649 52.649 52.834 -0.185 18824 8592 1 14 . 1 1 113 113 ALA CB C 113 18.618 18.618 18.624 -0.006 18824 8593 1 14 . 1 1 113 113 ALA H H 113 7.954 7.954 8.115 -0.161 18824 8594 1 14 . 1 1 114 114 GLN N N 114 118.555 118.555 118.032 0.523 18824 8595 1 14 . 1 1 114 114 GLN HA H 114 4.159 4.159 3.965 0.194 18824 8596 1 14 . 1 1 114 114 GLN C C 114 175.815 175.815 174.434 1.381 18824 8597 1 14 . 1 1 114 114 GLN CA C 114 55.551 55.551 56.214 -0.663 18824 8598 1 14 . 1 1 114 114 GLN CB C 114 29.023 29.023 27.233 1.790 18824 8599 1 14 . 1 1 114 114 GLN H H 114 8.121 8.121 8.405 -0.284 18824 8600 1 14 . 1 1 115 115 GLU N N 115 121.589 121.589 119.550 2.039 18824 8601 1 14 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.137 -0.007 18824 8602 1 14 . 1 1 115 115 GLU C C 115 175.637 175.637 176.047 -0.410 18824 8603 1 14 . 1 1 115 115 GLU CA C 115 55.779 55.779 56.166 -0.387 18824 8604 1 14 . 1 1 115 115 GLU CB C 115 30.038 30.038 28.619 1.419 18824 8605 1 14 . 1 1 115 115 GLU H H 115 8.164 8.164 8.069 0.095 18824 8606 1 14 . 1 1 116 116 ALA N N 116 126.435 126.435 127.530 -1.095 18824 8607 1 14 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.132 0.327 18824 8608 1 14 . 1 1 116 116 ALA CA C 116 50.094 50.094 51.569 -1.475 18824 8609 1 14 . 1 1 116 116 ALA CB C 116 17.622 17.622 18.176 -0.554 18824 8610 1 14 . 1 1 116 116 ALA H H 116 8.266 8.266 8.211 0.055 18824 8611 1 14 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.331 -0.027 18824 8612 1 14 . 1 1 117 117 PRO C C 117 177.580 177.580 176.693 0.887 18824 8613 1 14 . 1 1 117 117 PRO CA C 117 62.789 62.789 63.723 -0.934 18824 8614 1 14 . 1 1 117 117 PRO CB C 117 31.812 31.812 31.496 0.316 18824 8615 1 14 . 1 1 118 118 GLY N N 118 109.304 109.304 112.087 -2.783 18824 8616 1 14 . 1 1 118 118 GLY C C 118 173.872 173.872 173.718 0.154 18824 8617 1 14 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.238 -0.224 18824 8618 1 14 . 1 1 118 118 GLY H H 118 8.425 8.425 8.485 -0.060 18824 8619 1 14 . 1 1 119 119 GLN N N 119 120.070 120.070 121.168 -1.098 18824 8620 1 14 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.630 -0.416 18824 8621 1 14 . 1 1 119 119 GLN C C 119 174.692 174.692 174.480 0.212 18824 8622 1 14 . 1 1 119 119 GLN CA C 119 55.442 55.442 55.564 -0.122 18824 8623 1 14 . 1 1 119 119 GLN CB C 119 29.308 29.308 28.964 0.344 18824 8624 1 14 . 1 1 119 119 GLN H H 119 8.081 8.081 7.959 0.122 18824 8625 1 15 . 1 1 5 5 ILE N N 5 119.691 119.691 122.955 -3.264 18824 8626 1 15 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.375 -0.317 18824 8627 1 15 . 1 1 5 5 ILE C C 5 175.649 175.649 174.737 0.912 18824 8628 1 15 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.438 -0.842 18824 8629 1 15 . 1 1 5 5 ILE CB C 5 38.674 38.674 40.017 -1.343 18824 8630 1 15 . 1 1 5 5 ILE H H 5 8.370 8.370 8.170 0.200 18824 8631 1 15 . 1 1 6 6 ASP N N 6 126.564 126.564 128.525 -1.961 18824 8632 1 15 . 1 1 6 6 ASP HA H 6 4.690 4.690 5.012 -0.322 18824 8633 1 15 . 1 1 6 6 ASP CA C 6 52.261 52.261 51.748 0.513 18824 8634 1 15 . 1 1 6 6 ASP CB C 6 40.555 40.555 43.010 -2.454 18824 8635 1 15 . 1 1 6 6 ASP H H 6 8.373 8.373 8.547 -0.174 18824 8636 1 15 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.385 -0.225 18824 8637 1 15 . 1 1 7 7 PRO C C 7 176.417 176.417 175.518 0.899 18824 8638 1 15 . 1 1 7 7 PRO CA C 7 63.051 63.051 64.000 -0.949 18824 8639 1 15 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.531 -0.851 18824 8640 1 15 . 1 1 8 8 PHE N N 8 117.858 117.858 115.427 2.431 18824 8641 1 15 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.768 -0.224 18824 8642 1 15 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.464 -0.211 18824 8643 1 15 . 1 1 8 8 PHE CB C 8 38.444 38.444 42.272 -3.828 18824 8644 1 15 . 1 1 8 8 PHE H H 8 7.974 7.974 7.683 0.291 18824 8645 1 15 . 1 1 9 9 THR N N 9 112.459 112.459 116.155 -3.696 18824 8646 1 15 . 1 1 9 9 THR HA H 9 4.338 4.338 4.524 -0.186 18824 8647 1 15 . 1 1 9 9 THR C C 9 175.888 175.888 173.142 2.746 18824 8648 1 15 . 1 1 9 9 THR CA C 9 60.827 60.827 62.281 -1.454 18824 8649 1 15 . 1 1 9 9 THR CB C 9 69.387 69.387 70.134 -0.747 18824 8650 1 15 . 1 1 9 9 THR H H 9 7.927 7.927 8.397 -0.470 18824 8651 1 15 . 1 1 10 10 MET N N 10 121.338 121.338 120.134 1.204 18824 8652 1 15 . 1 1 10 10 MET HA H 10 4.310 4.310 4.128 0.182 18824 8653 1 15 . 1 1 10 10 MET C C 10 174.386 174.386 174.463 -0.077 18824 8654 1 15 . 1 1 10 10 MET CA C 10 52.415 52.415 55.855 -3.441 18824 8655 1 15 . 1 1 10 10 MET H H 10 7.648 7.648 8.589 -0.941 18824 8656 1 15 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.531 0.159 18824 8657 1 15 . 1 1 11 11 LEU CA C 11 52.606 52.606 52.613 -0.007 18824 8658 1 15 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.286 3.793 18824 8659 1 15 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.576 0.041 18824 8660 1 15 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.940 -0.674 18824 8661 1 15 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.709 -0.883 18824 8662 1 15 . 1 1 13 13 ARG N N 13 118.005 118.005 116.414 1.591 18824 8663 1 15 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.605 -0.221 18824 8664 1 15 . 1 1 13 13 ARG C C 13 173.498 173.498 174.884 -1.386 18824 8665 1 15 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.209 0.466 18824 8666 1 15 . 1 1 13 13 ARG CB C 13 32.565 32.565 32.411 0.154 18824 8667 1 15 . 1 1 13 13 ARG H H 13 8.484 8.484 8.036 0.448 18824 8668 1 15 . 1 1 14 14 LEU N N 14 124.897 124.897 124.154 0.743 18824 8669 1 15 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.316 0.552 18824 8670 1 15 . 1 1 14 14 LEU C C 14 176.144 176.144 176.758 -0.614 18824 8671 1 15 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.729 -1.682 18824 8672 1 15 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.338 0.619 18824 8673 1 15 . 1 1 14 14 LEU H H 14 8.520 8.520 8.754 -0.234 18824 8674 1 15 . 1 1 15 15 CYS N N 15 127.167 127.167 124.937 2.230 18824 8675 1 15 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.599 -0.008 18824 8676 1 15 . 1 1 15 15 CYS C C 15 173.408 173.408 174.435 -1.027 18824 8677 1 15 . 1 1 15 15 CYS CA C 15 57.454 57.454 57.178 0.276 18824 8678 1 15 . 1 1 15 15 CYS CB C 15 29.325 29.325 26.289 3.036 18824 8679 1 15 . 1 1 15 15 CYS H H 15 9.247 9.247 9.170 0.077 18824 8680 1 15 . 1 1 16 16 CYS N N 16 125.133 125.133 125.905 -0.772 18824 8681 1 15 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.282 -0.546 18824 8682 1 15 . 1 1 16 16 CYS C C 16 172.784 172.784 174.240 -1.456 18824 8683 1 15 . 1 1 16 16 CYS CA C 16 58.040 58.040 56.678 1.361 18824 8684 1 15 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.254 -0.012 18824 8685 1 15 . 1 1 16 16 CYS H H 16 9.049 9.049 8.779 0.270 18824 8686 1 15 . 1 1 17 17 LEU N N 17 124.624 124.624 122.999 1.625 18824 8687 1 15 . 1 1 17 17 LEU HA H 17 4.652 4.652 5.037 -0.385 18824 8688 1 15 . 1 1 17 17 LEU C C 17 175.672 175.672 175.548 0.124 18824 8689 1 15 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.295 1.929 18824 8690 1 15 . 1 1 17 17 LEU CB C 17 44.042 44.042 45.289 -1.248 18824 8691 1 15 . 1 1 17 17 LEU H H 17 8.750 8.750 8.504 0.246 18824 8692 1 15 . 1 1 18 18 GLU N N 18 121.610 121.610 119.533 2.077 18824 8693 1 15 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.676 0.085 18824 8694 1 15 . 1 1 18 18 GLU C C 18 175.548 175.548 175.738 -0.190 18824 8695 1 15 . 1 1 18 18 GLU CA C 18 54.861 54.861 54.756 0.105 18824 8696 1 15 . 1 1 18 18 GLU CB C 18 31.312 31.312 32.054 -0.742 18824 8697 1 15 . 1 1 18 18 GLU H H 18 8.304 8.304 8.644 -0.340 18824 8698 1 15 . 1 1 19 19 LYS N N 19 123.922 123.922 125.910 -1.988 18824 8699 1 15 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.165 -0.055 18824 8700 1 15 . 1 1 19 19 LYS C C 19 176.635 176.635 176.456 0.179 18824 8701 1 15 . 1 1 19 19 LYS CA C 19 58.488 58.488 55.771 2.717 18824 8702 1 15 . 1 1 19 19 LYS CB C 19 32.325 32.325 31.676 0.649 18824 8703 1 15 . 1 1 19 19 LYS H H 19 8.131 8.131 8.449 -0.318 18824 8704 1 15 . 1 1 20 20 GLY N N 20 112.282 112.282 114.503 -2.221 18824 8705 1 15 . 1 1 20 20 GLY CA C 20 44.045 44.045 43.863 0.182 18824 8706 1 15 . 1 1 20 20 GLY H H 20 6.955 6.955 7.804 -0.849 18824 8707 1 15 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.264 -0.087 18824 8708 1 15 . 1 1 21 21 PRO C C 21 177.081 177.081 176.723 0.358 18824 8709 1 15 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.599 -0.277 18824 8710 1 15 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.700 -0.119 18824 8711 1 15 . 1 1 22 22 ASN N N 22 114.637 114.637 114.208 0.429 18824 8712 1 15 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.723 0.196 18824 8713 1 15 . 1 1 22 22 ASN C C 22 175.102 175.102 175.064 0.038 18824 8714 1 15 . 1 1 22 22 ASN CA C 22 51.618 51.618 52.184 -0.567 18824 8715 1 15 . 1 1 22 22 ASN CB C 22 38.930 38.930 37.303 1.627 18824 8716 1 15 . 1 1 22 22 ASN H H 22 8.462 8.462 8.114 0.348 18824 8717 1 15 . 1 1 23 23 GLY N N 23 107.193 107.193 109.346 -2.153 18824 8718 1 15 . 1 1 23 23 GLY C C 23 174.932 174.932 174.512 0.420 18824 8719 1 15 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.779 -1.353 18824 8720 1 15 . 1 1 23 23 GLY H H 23 7.499 7.499 7.771 -0.272 18824 8721 1 15 . 1 1 24 24 TYR N N 24 119.910 119.910 115.176 4.734 18824 8722 1 15 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.179 0.130 18824 8723 1 15 . 1 1 24 24 TYR C C 24 177.188 177.188 176.338 0.850 18824 8724 1 15 . 1 1 24 24 TYR CA C 24 60.745 60.745 60.242 0.502 18824 8725 1 15 . 1 1 24 24 TYR CB C 24 40.447 40.447 36.890 3.557 18824 8726 1 15 . 1 1 24 24 TYR H H 24 8.894 8.894 8.503 0.391 18824 8727 1 15 . 1 1 25 25 GLY N N 25 104.016 104.016 104.579 -0.563 18824 8728 1 15 . 1 1 25 25 GLY C C 25 173.020 173.020 173.206 -0.186 18824 8729 1 15 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.027 0.494 18824 8730 1 15 . 1 1 25 25 GLY H H 25 8.394 8.394 8.064 0.330 18824 8731 1 15 . 1 1 26 26 PHE N N 26 110.891 110.891 118.508 -7.617 18824 8732 1 15 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.816 -0.177 18824 8733 1 15 . 1 1 26 26 PHE C C 26 172.250 172.250 173.967 -1.717 18824 8734 1 15 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.887 -0.781 18824 8735 1 15 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.696 -0.006 18824 8736 1 15 . 1 1 26 26 PHE H H 26 6.711 6.711 7.342 -0.631 18824 8737 1 15 . 1 1 27 27 HIS N N 27 118.261 118.261 120.059 -1.798 18824 8738 1 15 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.752 0.032 18824 8739 1 15 . 1 1 27 27 HIS C C 27 174.659 174.659 173.427 1.232 18824 8740 1 15 . 1 1 27 27 HIS CA C 27 54.557 54.557 54.843 -0.286 18824 8741 1 15 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.649 -0.805 18824 8742 1 15 . 1 1 27 27 HIS H H 27 7.964 7.964 9.328 -1.364 18824 8743 1 15 . 1 1 28 28 LEU N N 28 125.694 125.694 125.398 0.296 18824 8744 1 15 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.059 0.425 18824 8745 1 15 . 1 1 28 28 LEU C C 28 176.849 176.849 175.846 1.003 18824 8746 1 15 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.578 0.085 18824 8747 1 15 . 1 1 28 28 LEU CB C 28 45.031 45.031 45.027 0.004 18824 8748 1 15 . 1 1 28 28 LEU H H 28 9.554 9.554 8.670 0.884 18824 8749 1 15 . 1 1 29 29 HIS N N 29 119.263 119.263 120.492 -1.229 18824 8750 1 15 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.123 -0.362 18824 8751 1 15 . 1 1 29 29 HIS C C 29 173.447 173.447 174.109 -0.662 18824 8752 1 15 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.775 2.016 18824 8753 1 15 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.256 -0.420 18824 8754 1 15 . 1 1 29 29 HIS H H 29 9.625 9.625 9.580 0.045 18824 8755 1 15 . 1 1 30 30 GLY N N 30 110.254 110.254 111.571 -1.317 18824 8756 1 15 . 1 1 30 30 GLY C C 30 172.917 172.917 173.871 -0.954 18824 8757 1 15 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.241 -0.258 18824 8758 1 15 . 1 1 30 30 GLY H H 30 8.403 8.403 8.770 -0.367 18824 8759 1 15 . 1 1 31 31 GLU N N 31 119.753 119.753 123.487 -3.734 18824 8760 1 15 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.101 0.182 18824 8761 1 15 . 1 1 31 31 GLU C C 31 175.939 175.939 176.887 -0.948 18824 8762 1 15 . 1 1 31 31 GLU CA C 31 54.431 54.431 56.606 -2.175 18824 8763 1 15 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.639 1.704 18824 8764 1 15 . 1 1 31 31 GLU H H 31 9.060 9.060 8.480 0.580 18824 8765 1 15 . 1 1 32 32 LYS N N 32 124.046 124.046 122.894 1.152 18824 8766 1 15 . 1 1 32 32 LYS HA H 32 3.914 3.914 3.987 -0.073 18824 8767 1 15 . 1 1 32 32 LYS C C 32 177.776 177.776 177.703 0.073 18824 8768 1 15 . 1 1 32 32 LYS CA C 32 57.714 57.714 58.149 -0.435 18824 8769 1 15 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.014 -0.183 18824 8770 1 15 . 1 1 32 32 LYS H H 32 8.424 8.424 8.613 -0.189 18824 8771 1 15 . 1 1 33 33 GLY N N 33 113.177 113.177 113.797 -0.620 18824 8772 1 15 . 1 1 33 33 GLY C C 33 173.408 173.408 174.499 -1.091 18824 8773 1 15 . 1 1 33 33 GLY CA C 33 45.033 45.033 44.791 0.242 18824 8774 1 15 . 1 1 33 33 GLY H H 33 8.856 8.856 8.677 0.179 18824 8775 1 15 . 1 1 34 34 LYS N N 34 118.719 118.719 121.342 -2.623 18824 8776 1 15 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.299 0.341 18824 8777 1 15 . 1 1 34 34 LYS C C 34 176.528 176.528 177.116 -0.588 18824 8778 1 15 . 1 1 34 34 LYS CA C 34 54.557 54.557 56.081 -1.524 18824 8779 1 15 . 1 1 34 34 LYS CB C 34 34.863 34.863 32.881 1.982 18824 8780 1 15 . 1 1 34 34 LYS H H 34 7.790 7.790 7.773 0.017 18824 8781 1 15 . 1 1 35 35 LEU N N 35 124.084 124.084 115.524 8.560 18824 8782 1 15 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.695 -0.210 18824 8783 1 15 . 1 1 35 35 LEU C C 35 177.646 177.646 176.502 1.144 18824 8784 1 15 . 1 1 35 35 LEU CA C 35 54.662 54.662 53.831 0.831 18824 8785 1 15 . 1 1 35 35 LEU CB C 35 42.676 42.676 42.106 0.570 18824 8786 1 15 . 1 1 35 35 LEU H H 35 8.759 8.759 8.550 0.209 18824 8787 1 15 . 1 1 36 36 GLY N N 36 110.962 110.962 106.404 4.558 18824 8788 1 15 . 1 1 36 36 GLY C C 36 173.070 173.070 172.660 0.410 18824 8789 1 15 . 1 1 36 36 GLY CA C 36 44.526 44.526 43.644 0.882 18824 8790 1 15 . 1 1 36 36 GLY H H 36 8.533 8.533 7.348 1.185 18824 8791 1 15 . 1 1 37 37 GLN N N 37 117.136 117.136 118.538 -1.402 18824 8792 1 15 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.649 -0.160 18824 8793 1 15 . 1 1 37 37 GLN C C 37 173.925 173.925 174.945 -1.020 18824 8794 1 15 . 1 1 37 37 GLN CA C 37 53.806 53.806 54.609 -0.803 18824 8795 1 15 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.404 0.439 18824 8796 1 15 . 1 1 37 37 GLN H H 37 8.885 8.885 8.336 0.549 18824 8797 1 15 . 1 1 38 38 TYR N N 38 119.053 119.053 118.734 0.319 18824 8798 1 15 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.092 0.103 18824 8799 1 15 . 1 1 38 38 TYR C C 38 176.110 176.110 175.564 0.546 18824 8800 1 15 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.236 -1.006 18824 8801 1 15 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.351 -0.369 18824 8802 1 15 . 1 1 38 38 TYR H H 38 8.719 8.719 9.141 -0.422 18824 8803 1 15 . 1 1 39 39 ILE N N 39 120.624 120.624 121.947 -1.323 18824 8804 1 15 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.289 -0.039 18824 8805 1 15 . 1 1 39 39 ILE C C 39 175.797 175.797 176.741 -0.944 18824 8806 1 15 . 1 1 39 39 ILE CA C 39 60.231 60.231 61.862 -1.631 18824 8807 1 15 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.027 -0.633 18824 8808 1 15 . 1 1 39 39 ILE H H 39 9.208 9.208 8.700 0.508 18824 8809 1 15 . 1 1 40 40 ARG N N 40 130.372 130.372 128.996 1.376 18824 8810 1 15 . 1 1 40 40 ARG HA H 40 4.087 4.087 3.963 0.124 18824 8811 1 15 . 1 1 40 40 ARG C C 40 174.846 174.846 175.854 -1.008 18824 8812 1 15 . 1 1 40 40 ARG CA C 40 56.610 56.610 57.926 -1.317 18824 8813 1 15 . 1 1 40 40 ARG CB C 40 31.315 31.315 31.769 -0.454 18824 8814 1 15 . 1 1 40 40 ARG H H 40 9.240 9.240 8.864 0.376 18824 8815 1 15 . 1 1 41 41 LEU N N 41 116.642 116.642 118.454 -1.812 18824 8816 1 15 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.650 -0.292 18824 8817 1 15 . 1 1 41 41 LEU C C 41 173.658 173.658 174.376 -0.718 18824 8818 1 15 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.911 -0.226 18824 8819 1 15 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.953 -0.738 18824 8820 1 15 . 1 1 41 41 LEU H H 41 7.130 7.130 8.076 -0.946 18824 8821 1 15 . 1 1 42 42 VAL N N 42 125.934 125.934 124.265 1.669 18824 8822 1 15 . 1 1 42 42 VAL HA H 42 4.355 4.355 5.048 -0.693 18824 8823 1 15 . 1 1 42 42 VAL C C 42 175.548 175.548 175.276 0.272 18824 8824 1 15 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.030 1.223 18824 8825 1 15 . 1 1 42 42 VAL CB C 42 33.223 33.223 34.056 -0.833 18824 8826 1 15 . 1 1 42 42 VAL H H 42 8.731 8.731 8.517 0.214 18824 8827 1 15 . 1 1 43 43 GLU N N 43 128.285 128.285 129.419 -1.134 18824 8828 1 15 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.782 -0.461 18824 8829 1 15 . 1 1 43 43 GLU CA C 43 54.660 54.660 53.812 0.848 18824 8830 1 15 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.452 -0.723 18824 8831 1 15 . 1 1 43 43 GLU H H 43 9.102 9.102 9.079 0.023 18824 8832 1 15 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.464 -0.024 18824 8833 1 15 . 1 1 44 44 PRO C C 44 178.222 178.222 177.568 0.654 18824 8834 1 15 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.617 -0.319 18824 8835 1 15 . 1 1 44 44 PRO CB C 44 31.388 31.388 31.272 0.116 18824 8836 1 15 . 1 1 45 45 GLY N N 45 113.166 113.166 114.475 -1.309 18824 8837 1 15 . 1 1 45 45 GLY C C 45 173.515 173.515 174.220 -0.705 18824 8838 1 15 . 1 1 45 45 GLY CA C 45 45.525 45.525 44.939 0.586 18824 8839 1 15 . 1 1 45 45 GLY H H 45 9.416 9.416 9.799 -0.383 18824 8840 1 15 . 1 1 46 46 SER N N 46 114.219 114.219 117.023 -2.804 18824 8841 1 15 . 1 1 46 46 SER HA H 46 4.670 4.670 5.000 -0.330 18824 8842 1 15 . 1 1 46 46 SER CA C 46 57.103 57.103 56.232 0.871 18824 8843 1 15 . 1 1 46 46 SER CB C 46 64.458 64.458 65.037 -0.579 18824 8844 1 15 . 1 1 46 46 SER H H 46 7.422 7.422 7.735 -0.313 18824 8845 1 15 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.402 -0.115 18824 8846 1 15 . 1 1 47 47 PRO C C 47 179.487 179.487 177.293 2.194 18824 8847 1 15 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.635 0.702 18824 8848 1 15 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.641 0.698 18824 8849 1 15 . 1 1 48 48 ALA N N 48 116.941 116.941 122.521 -5.580 18824 8850 1 15 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.967 -0.159 18824 8851 1 15 . 1 1 48 48 ALA C C 48 177.063 177.063 179.244 -2.181 18824 8852 1 15 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.191 -0.081 18824 8853 1 15 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.371 1.803 18824 8854 1 15 . 1 1 48 48 ALA H H 48 7.855 7.855 7.877 -0.022 18824 8855 1 15 . 1 1 49 49 GLU N N 49 120.064 120.064 117.407 2.657 18824 8856 1 15 . 1 1 49 49 GLU HA H 49 3.854 3.854 3.997 -0.143 18824 8857 1 15 . 1 1 49 49 GLU C C 49 181.038 181.038 178.801 2.237 18824 8858 1 15 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.781 0.400 18824 8859 1 15 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.570 0.100 18824 8860 1 15 . 1 1 49 49 GLU H H 49 7.732 7.732 7.854 -0.122 18824 8861 1 15 . 1 1 50 50 LYS N N 50 120.570 120.570 117.807 2.763 18824 8862 1 15 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.127 -0.203 18824 8863 1 15 . 1 1 50 50 LYS C C 50 177.580 177.580 177.984 -0.404 18824 8864 1 15 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.272 0.508 18824 8865 1 15 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.260 -0.456 18824 8866 1 15 . 1 1 50 50 LYS H H 50 8.156 8.156 7.441 0.715 18824 8867 1 15 . 1 1 51 51 ALA N N 51 117.482 117.482 118.101 -0.619 18824 8868 1 15 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.238 0.070 18824 8869 1 15 . 1 1 51 51 ALA C C 51 177.509 177.509 176.589 0.920 18824 8870 1 15 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.382 -0.264 18824 8871 1 15 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.826 0.369 18824 8872 1 15 . 1 1 51 51 ALA H H 51 7.730 7.730 7.539 0.191 18824 8873 1 15 . 1 1 52 52 GLY N N 52 103.549 103.549 104.882 -1.333 18824 8874 1 15 . 1 1 52 52 GLY C C 52 174.888 174.888 172.965 1.923 18824 8875 1 15 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.840 0.183 18824 8876 1 15 . 1 1 52 52 GLY H H 52 7.513 7.513 7.482 0.031 18824 8877 1 15 . 1 1 53 53 LEU N N 53 120.806 120.806 121.843 -1.037 18824 8878 1 15 . 1 1 53 53 LEU HA H 53 3.856 3.856 5.200 -1.344 18824 8879 1 15 . 1 1 53 53 LEU C C 53 174.692 174.692 175.650 -0.958 18824 8880 1 15 . 1 1 53 53 LEU CA C 53 55.190 55.190 53.738 1.452 18824 8881 1 15 . 1 1 53 53 LEU CB C 53 42.994 42.994 43.478 -0.485 18824 8882 1 15 . 1 1 53 53 LEU H H 53 7.420 7.420 7.435 -0.015 18824 8883 1 15 . 1 1 54 54 LEU N N 54 122.726 122.726 120.658 2.068 18824 8884 1 15 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.968 -0.463 18824 8885 1 15 . 1 1 54 54 LEU C C 54 176.350 176.350 175.899 0.451 18824 8886 1 15 . 1 1 54 54 LEU CA C 54 52.981 52.981 51.914 1.067 18824 8887 1 15 . 1 1 54 54 LEU CB C 54 45.564 45.564 44.315 1.249 18824 8888 1 15 . 1 1 54 54 LEU H H 54 8.546 8.546 9.323 -0.777 18824 8889 1 15 . 1 1 55 55 ALA N N 55 122.735 122.735 122.292 0.443 18824 8890 1 15 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.447 -0.716 18824 8891 1 15 . 1 1 55 55 ALA C C 55 179.077 179.077 177.282 1.795 18824 8892 1 15 . 1 1 55 55 ALA CA C 55 53.000 53.000 52.546 0.454 18824 8893 1 15 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.460 -0.392 18824 8894 1 15 . 1 1 55 55 ALA H H 55 8.551 8.551 8.472 0.079 18824 8895 1 15 . 1 1 56 56 GLY N N 56 112.553 112.553 110.259 2.294 18824 8896 1 15 . 1 1 56 56 GLY C C 56 174.638 174.638 174.085 0.553 18824 8897 1 15 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.338 -0.857 18824 8898 1 15 . 1 1 56 56 GLY H H 56 9.450 9.450 8.327 1.123 18824 8899 1 15 . 1 1 57 57 ASP N N 57 121.912 121.912 124.204 -2.292 18824 8900 1 15 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.555 -0.008 18824 8901 1 15 . 1 1 57 57 ASP C C 57 174.539 174.539 174.889 -0.350 18824 8902 1 15 . 1 1 57 57 ASP CA C 57 55.157 55.157 55.632 -0.475 18824 8903 1 15 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.479 0.005 18824 8904 1 15 . 1 1 57 57 ASP H H 57 7.948 7.948 7.908 0.040 18824 8905 1 15 . 1 1 58 58 ARG N N 58 122.512 122.512 123.148 -0.636 18824 8906 1 15 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.669 -0.688 18824 8907 1 15 . 1 1 58 58 ARG C C 58 175.512 175.512 175.025 0.487 18824 8908 1 15 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.973 -0.804 18824 8909 1 15 . 1 1 58 58 ARG CB C 58 32.435 32.435 31.747 0.688 18824 8910 1 15 . 1 1 58 58 ARG H H 58 8.570 8.570 8.521 0.049 18824 8911 1 15 . 1 1 59 59 LEU N N 59 126.506 126.506 128.600 -2.094 18824 8912 1 15 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.453 -0.394 18824 8913 1 15 . 1 1 59 59 LEU C C 59 174.420 174.420 175.184 -0.764 18824 8914 1 15 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.393 -0.214 18824 8915 1 15 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.502 -0.027 18824 8916 1 15 . 1 1 59 59 LEU H H 59 7.917 7.917 8.485 -0.568 18824 8917 1 15 . 1 1 60 60 VAL N N 60 124.914 124.914 126.566 -1.652 18824 8918 1 15 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.077 -0.167 18824 8919 1 15 . 1 1 60 60 VAL CA C 60 63.788 63.788 64.198 -0.410 18824 8920 1 15 . 1 1 60 60 VAL CB C 60 32.805 32.805 33.164 -0.359 18824 8921 1 15 . 1 1 60 60 VAL H H 60 8.781 8.781 9.197 -0.416 18824 8922 1 15 . 1 1 61 61 GLU N N 61 112.868 112.868 118.095 -5.227 18824 8923 1 15 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.041 0.171 18824 8924 1 15 . 1 1 61 61 GLU C C 61 175.717 175.717 174.266 1.451 18824 8925 1 15 . 1 1 61 61 GLU CA C 61 54.186 54.186 55.329 -1.143 18824 8926 1 15 . 1 1 61 61 GLU CB C 61 34.458 34.458 33.962 0.495 18824 8927 1 15 . 1 1 61 61 GLU H H 61 7.332 7.332 7.846 -0.514 18824 8928 1 15 . 1 1 62 62 VAL N N 62 118.357 118.357 123.761 -5.404 18824 8929 1 15 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.672 -0.350 18824 8930 1 15 . 1 1 62 62 VAL C C 62 175.495 175.495 175.890 -0.395 18824 8931 1 15 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.595 0.155 18824 8932 1 15 . 1 1 62 62 VAL CB C 62 33.376 33.376 33.369 0.007 18824 8933 1 15 . 1 1 62 62 VAL H H 62 8.342 8.342 8.711 -0.369 18824 8934 1 15 . 1 1 63 63 ASN N N 63 129.063 129.063 126.707 2.356 18824 8935 1 15 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.299 -0.120 18824 8936 1 15 . 1 1 63 63 ASN C C 63 175.051 175.051 175.277 -0.226 18824 8937 1 15 . 1 1 63 63 ASN CA C 63 53.644 53.644 55.979 -2.335 18824 8938 1 15 . 1 1 63 63 ASN CB C 63 36.328 36.328 38.531 -2.203 18824 8939 1 15 . 1 1 63 63 ASN H H 63 9.830 9.830 9.608 0.222 18824 8940 1 15 . 1 1 64 64 GLY N N 64 103.346 103.346 103.510 -0.164 18824 8941 1 15 . 1 1 64 64 GLY C C 64 173.276 173.276 173.091 0.185 18824 8942 1 15 . 1 1 64 64 GLY CA C 64 45.043 45.043 44.756 0.287 18824 8943 1 15 . 1 1 64 64 GLY H H 64 9.222 9.222 7.541 1.681 18824 8944 1 15 . 1 1 65 65 GLU N N 65 119.230 119.230 120.670 -1.440 18824 8945 1 15 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.561 -0.072 18824 8946 1 15 . 1 1 65 65 GLU C C 65 174.745 174.745 175.157 -0.412 18824 8947 1 15 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.864 -0.173 18824 8948 1 15 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.412 -1.610 18824 8949 1 15 . 1 1 65 65 GLU H H 65 7.553 7.553 7.662 -0.109 18824 8950 1 15 . 1 1 66 66 ASN N N 66 123.478 123.478 124.986 -1.508 18824 8951 1 15 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.591 0.097 18824 8952 1 15 . 1 1 66 66 ASN C C 66 176.144 176.144 175.065 1.079 18824 8953 1 15 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.798 0.426 18824 8954 1 15 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.708 0.881 18824 8955 1 15 . 1 1 66 66 ASN H H 66 8.865 8.865 8.865 0.000 18824 8956 1 15 . 1 1 67 67 VAL N N 67 117.695 117.695 118.220 -0.525 18824 8957 1 15 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.528 -0.025 18824 8958 1 15 . 1 1 67 67 VAL C C 67 177.475 177.475 176.945 0.530 18824 8959 1 15 . 1 1 67 67 VAL CA C 67 59.756 59.756 60.947 -1.191 18824 8960 1 15 . 1 1 67 67 VAL CB C 67 31.321 31.321 31.802 -0.481 18824 8961 1 15 . 1 1 67 67 VAL H H 67 8.210 8.210 8.868 -0.658 18824 8962 1 15 . 1 1 68 68 GLU N N 68 122.899 122.899 123.345 -0.446 18824 8963 1 15 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.147 -0.226 18824 8964 1 15 . 1 1 68 68 GLU C C 68 177.348 177.348 177.127 0.221 18824 8965 1 15 . 1 1 68 68 GLU CA C 68 59.762 59.762 59.818 -0.056 18824 8966 1 15 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.827 1.383 18824 8967 1 15 . 1 1 68 68 GLU H H 68 8.427 8.427 8.079 0.348 18824 8968 1 15 . 1 1 69 69 LYS N N 69 113.848 113.848 115.890 -2.042 18824 8969 1 15 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.790 -0.376 18824 8970 1 15 . 1 1 69 69 LYS C C 69 176.510 176.510 175.693 0.817 18824 8971 1 15 . 1 1 69 69 LYS CA C 69 54.675 54.675 55.454 -0.779 18824 8972 1 15 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.569 -0.807 18824 8973 1 15 . 1 1 69 69 LYS H H 69 8.576 8.576 8.062 0.514 18824 8974 1 15 . 1 1 70 70 GLU N N 70 119.980 119.980 120.272 -0.292 18824 8975 1 15 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.565 -0.204 18824 8976 1 15 . 1 1 70 70 GLU C C 70 176.831 176.831 175.348 1.483 18824 8977 1 15 . 1 1 70 70 GLU CA C 70 56.329 56.329 55.151 1.177 18824 8978 1 15 . 1 1 70 70 GLU CB C 70 31.293 31.293 31.290 0.003 18824 8979 1 15 . 1 1 70 70 GLU H H 70 6.994 6.994 7.532 -0.538 18824 8980 1 15 . 1 1 71 71 THR N N 71 110.696 110.696 109.084 1.612 18824 8981 1 15 . 1 1 71 71 THR HA H 71 4.270 4.270 4.615 -0.345 18824 8982 1 15 . 1 1 71 71 THR C C 71 174.812 174.812 175.195 -0.383 18824 8983 1 15 . 1 1 71 71 THR CA C 71 60.267 60.267 59.159 1.108 18824 8984 1 15 . 1 1 71 71 THR CB C 71 71.497 71.497 71.197 0.300 18824 8985 1 15 . 1 1 71 71 THR H H 71 8.675 8.675 8.060 0.615 18824 8986 1 15 . 1 1 72 72 HIS N N 72 118.876 118.876 120.958 -2.082 18824 8987 1 15 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.264 -0.680 18824 8988 1 15 . 1 1 72 72 HIS C C 72 175.802 175.802 177.659 -1.857 18824 8989 1 15 . 1 1 72 72 HIS CA C 72 60.717 60.717 60.537 0.180 18824 8990 1 15 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.837 -1.553 18824 8991 1 15 . 1 1 72 72 HIS H H 72 9.171 9.171 8.834 0.337 18824 8992 1 15 . 1 1 73 73 GLN N N 73 115.563 115.563 117.873 -2.310 18824 8993 1 15 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.063 -0.294 18824 8994 1 15 . 1 1 73 73 GLN C C 73 179.060 179.060 178.628 0.432 18824 8995 1 15 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.176 -0.433 18824 8996 1 15 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.296 -0.503 18824 8997 1 15 . 1 1 73 73 GLN H H 73 8.666 8.666 8.743 -0.077 18824 8998 1 15 . 1 1 74 74 GLN N N 74 119.687 119.687 119.313 0.374 18824 8999 1 15 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.049 -0.212 18824 9000 1 15 . 1 1 74 74 GLN C C 74 179.309 179.309 178.667 0.642 18824 9001 1 15 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.833 -0.110 18824 9002 1 15 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.542 0.212 18824 9003 1 15 . 1 1 74 74 GLN H H 74 7.614 7.614 7.960 -0.346 18824 9004 1 15 . 1 1 75 75 VAL N N 75 120.633 120.633 117.049 3.584 18824 9005 1 15 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.670 -0.346 18824 9006 1 15 . 1 1 75 75 VAL C C 75 178.031 178.031 177.750 0.281 18824 9007 1 15 . 1 1 75 75 VAL CA C 75 67.423 67.423 65.924 1.499 18824 9008 1 15 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.340 -0.271 18824 9009 1 15 . 1 1 75 75 VAL H H 75 8.289 8.289 8.105 0.184 18824 9010 1 15 . 1 1 76 76 VAL N N 76 118.966 118.966 121.486 -2.520 18824 9011 1 15 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.503 -0.175 18824 9012 1 15 . 1 1 76 76 VAL C C 76 178.739 178.739 178.151 0.588 18824 9013 1 15 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.859 0.000 18824 9014 1 15 . 1 1 76 76 VAL CB C 76 30.847 30.847 30.850 -0.003 18824 9015 1 15 . 1 1 76 76 VAL H H 76 8.364 8.364 8.006 0.358 18824 9016 1 15 . 1 1 77 77 SER N N 77 115.158 115.158 115.191 -0.033 18824 9017 1 15 . 1 1 77 77 SER HA H 77 3.994 3.994 4.149 -0.155 18824 9018 1 15 . 1 1 77 77 SER C C 77 176.849 176.849 176.527 0.322 18824 9019 1 15 . 1 1 77 77 SER CA C 77 62.162 62.162 61.816 0.346 18824 9020 1 15 . 1 1 77 77 SER CB C 77 62.232 62.232 63.069 -0.837 18824 9021 1 15 . 1 1 77 77 SER H H 77 7.871 7.871 8.293 -0.422 18824 9022 1 15 . 1 1 78 78 ARG N N 78 121.310 121.310 120.309 1.001 18824 9023 1 15 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.089 -0.167 18824 9024 1 15 . 1 1 78 78 ARG C C 78 179.309 179.309 178.897 0.412 18824 9025 1 15 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.959 -0.210 18824 9026 1 15 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.174 0.104 18824 9027 1 15 . 1 1 78 78 ARG H H 78 7.469 7.469 7.359 0.110 18824 9028 1 15 . 1 1 79 79 ILE N N 79 119.383 119.383 119.668 -0.285 18824 9029 1 15 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.821 -0.418 18824 9030 1 15 . 1 1 79 79 ILE C C 79 178.364 178.364 177.900 0.464 18824 9031 1 15 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.495 -0.205 18824 9032 1 15 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.645 -0.421 18824 9033 1 15 . 1 1 79 79 ILE H H 79 7.759 7.759 8.198 -0.439 18824 9034 1 15 . 1 1 80 80 ARG N N 80 119.497 119.497 118.640 0.857 18824 9035 1 15 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.185 -0.207 18824 9036 1 15 . 1 1 80 80 ARG C C 80 177.544 177.544 177.173 0.371 18824 9037 1 15 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.676 1.054 18824 9038 1 15 . 1 1 80 80 ARG CB C 80 29.828 29.828 30.000 -0.172 18824 9039 1 15 . 1 1 80 80 ARG H H 80 8.407 8.407 7.993 0.414 18824 9040 1 15 . 1 1 81 81 ALA N N 81 118.814 118.814 119.629 -0.815 18824 9041 1 15 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.304 -0.243 18824 9042 1 15 . 1 1 81 81 ALA C C 81 177.473 177.473 176.893 0.580 18824 9043 1 15 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.762 0.044 18824 9044 1 15 . 1 1 81 81 ALA CB C 81 18.604 18.604 19.075 -0.471 18824 9045 1 15 . 1 1 81 81 ALA H H 81 7.392 7.392 7.246 0.146 18824 9046 1 15 . 1 1 82 82 ALA N N 82 121.771 121.771 120.945 0.826 18824 9047 1 15 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.329 -0.019 18824 9048 1 15 . 1 1 82 82 ALA C C 82 177.384 177.384 177.199 0.185 18824 9049 1 15 . 1 1 82 82 ALA CA C 82 51.604 51.604 51.567 0.037 18824 9050 1 15 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.067 -1.476 18824 9051 1 15 . 1 1 82 82 ALA H H 82 7.182 7.182 7.064 0.118 18824 9052 1 15 . 1 1 83 83 LEU N N 83 122.357 122.357 124.671 -2.314 18824 9053 1 15 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.247 -0.256 18824 9054 1 15 . 1 1 83 83 LEU C C 83 177.366 177.366 178.063 -0.697 18824 9055 1 15 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.127 -0.150 18824 9056 1 15 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.117 -1.131 18824 9057 1 15 . 1 1 83 83 LEU H H 83 8.171 8.171 8.679 -0.508 18824 9058 1 15 . 1 1 84 84 ASN N N 84 114.897 114.897 114.523 0.374 18824 9059 1 15 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.663 -0.045 18824 9060 1 15 . 1 1 84 84 ASN C C 84 173.651 173.651 174.017 -0.366 18824 9061 1 15 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.897 0.297 18824 9062 1 15 . 1 1 84 84 ASN CB C 84 39.903 39.903 40.248 -0.345 18824 9063 1 15 . 1 1 84 84 ASN H H 84 8.565 8.565 8.517 0.048 18824 9064 1 15 . 1 1 85 85 ALA N N 85 124.026 124.026 120.826 3.200 18824 9065 1 15 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.103 -0.032 18824 9066 1 15 . 1 1 85 85 ALA C C 85 175.751 175.751 174.849 0.902 18824 9067 1 15 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.370 0.740 18824 9068 1 15 . 1 1 85 85 ALA CB C 85 21.156 21.156 22.248 -1.092 18824 9069 1 15 . 1 1 85 85 ALA H H 85 7.808 7.808 7.552 0.256 18824 9070 1 15 . 1 1 86 86 VAL N N 86 116.130 116.130 118.789 -2.659 18824 9071 1 15 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.495 0.097 18824 9072 1 15 . 1 1 86 86 VAL C C 86 171.876 171.876 173.621 -1.745 18824 9073 1 15 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.927 -0.179 18824 9074 1 15 . 1 1 86 86 VAL CB C 86 34.893 34.893 36.164 -1.271 18824 9075 1 15 . 1 1 86 86 VAL H H 86 8.432 8.432 9.317 -0.885 18824 9076 1 15 . 1 1 87 87 ARG N N 87 124.913 124.913 125.169 -0.256 18824 9077 1 15 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.890 0.108 18824 9078 1 15 . 1 1 87 87 ARG C C 87 175.316 175.316 175.038 0.278 18824 9079 1 15 . 1 1 87 87 ARG CA C 87 53.991 53.991 54.809 -0.818 18824 9080 1 15 . 1 1 87 87 ARG CB C 87 31.805 31.805 31.362 0.443 18824 9081 1 15 . 1 1 87 87 ARG H H 87 8.255 8.255 8.577 -0.322 18824 9082 1 15 . 1 1 88 88 LEU N N 88 125.141 125.141 124.765 0.376 18824 9083 1 15 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.949 0.001 18824 9084 1 15 . 1 1 88 88 LEU C C 88 173.836 173.836 174.837 -1.001 18824 9085 1 15 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.471 -1.089 18824 9086 1 15 . 1 1 88 88 LEU CB C 88 43.952 43.952 45.033 -1.081 18824 9087 1 15 . 1 1 88 88 LEU H H 88 9.041 9.041 9.087 -0.046 18824 9088 1 15 . 1 1 89 89 LEU N N 89 126.927 126.927 127.245 -0.318 18824 9089 1 15 . 1 1 89 89 LEU HA H 89 5.177 5.177 5.209 -0.032 18824 9090 1 15 . 1 1 89 89 LEU C C 89 175.726 175.726 174.904 0.822 18824 9091 1 15 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.383 0.326 18824 9092 1 15 . 1 1 89 89 LEU CB C 89 43.514 43.514 44.165 -0.651 18824 9093 1 15 . 1 1 89 89 LEU H H 89 8.484 8.484 8.863 -0.379 18824 9094 1 15 . 1 1 90 90 VAL N N 90 119.770 119.770 121.771 -2.001 18824 9095 1 15 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.417 0.021 18824 9096 1 15 . 1 1 90 90 VAL C C 90 174.157 174.157 173.461 0.696 18824 9097 1 15 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.909 -0.938 18824 9098 1 15 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.756 1.100 18824 9099 1 15 . 1 1 90 90 VAL H H 90 9.001 9.001 7.889 1.112 18824 9100 1 15 . 1 1 91 91 VAL N N 91 112.698 112.698 120.519 -7.821 18824 9101 1 15 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.557 0.152 18824 9102 1 15 . 1 1 91 91 VAL C C 91 173.993 173.993 173.933 0.060 18824 9103 1 15 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.443 -0.460 18824 9104 1 15 . 1 1 91 91 VAL CB C 91 35.466 35.466 36.850 -1.384 18824 9105 1 15 . 1 1 91 91 VAL H H 91 8.011 8.011 8.689 -0.678 18824 9106 1 15 . 1 1 92 92 ASP N N 92 127.066 127.066 129.389 -2.323 18824 9107 1 15 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.990 0.016 18824 9108 1 15 . 1 1 92 92 ASP CA C 92 53.078 53.078 54.300 -1.222 18824 9109 1 15 . 1 1 92 92 ASP CB C 92 39.764 39.764 40.548 -0.784 18824 9110 1 15 . 1 1 92 92 ASP H H 92 7.878 7.878 8.973 -1.095 18824 9111 1 15 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.163 0.240 18824 9112 1 15 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.358 0.506 18824 9113 1 15 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.860 0.361 18824 9114 1 15 . 1 1 94 94 GLU N N 94 119.504 119.504 116.409 3.095 18824 9115 1 15 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.071 -0.021 18824 9116 1 15 . 1 1 94 94 GLU C C 94 179.182 179.182 179.140 0.042 18824 9117 1 15 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.961 -0.743 18824 9118 1 15 . 1 1 94 94 GLU CB C 94 28.950 28.950 28.712 0.238 18824 9119 1 15 . 1 1 94 94 GLU H H 94 8.156 8.156 8.890 -0.734 18824 9120 1 15 . 1 1 95 95 THR N N 95 120.651 120.651 116.716 3.935 18824 9121 1 15 . 1 1 95 95 THR HA H 95 3.751 3.751 4.108 -0.357 18824 9122 1 15 . 1 1 95 95 THR C C 95 175.888 175.888 176.200 -0.312 18824 9123 1 15 . 1 1 95 95 THR CA C 95 65.764 65.764 65.787 -0.022 18824 9124 1 15 . 1 1 95 95 THR CB C 95 67.338 67.338 68.703 -1.365 18824 9125 1 15 . 1 1 95 95 THR H H 95 8.315 8.315 7.629 0.686 18824 9126 1 15 . 1 1 96 96 ASP N N 96 120.554 120.554 122.668 -2.114 18824 9127 1 15 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.209 0.024 18824 9128 1 15 . 1 1 96 96 ASP C C 96 178.275 178.275 178.215 0.060 18824 9129 1 15 . 1 1 96 96 ASP CA C 96 56.221 56.221 58.017 -1.796 18824 9130 1 15 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.811 0.227 18824 9131 1 15 . 1 1 96 96 ASP H H 96 8.381 8.381 8.333 0.048 18824 9132 1 15 . 1 1 97 97 GLU N N 97 117.457 117.457 118.055 -0.598 18824 9133 1 15 . 1 1 97 97 GLU HA H 97 3.865 3.865 4.169 -0.304 18824 9134 1 15 . 1 1 97 97 GLU C C 97 178.790 178.790 179.016 -0.226 18824 9135 1 15 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.185 0.024 18824 9136 1 15 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.682 -0.636 18824 9137 1 15 . 1 1 97 97 GLU H H 97 7.727 7.727 7.875 -0.148 18824 9138 1 15 . 1 1 98 98 GLN N N 98 118.704 118.704 118.438 0.266 18824 9139 1 15 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.134 -0.160 18824 9140 1 15 . 1 1 98 98 GLN C C 98 178.756 178.756 178.223 0.533 18824 9141 1 15 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.126 0.114 18824 9142 1 15 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.205 -0.273 18824 9143 1 15 . 1 1 98 98 GLN H H 98 7.733 7.733 7.553 0.180 18824 9144 1 15 . 1 1 99 99 LEU N N 99 119.242 119.242 121.075 -1.833 18824 9145 1 15 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.837 0.077 18824 9146 1 15 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.388 0.331 18824 9147 1 15 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.630 -1.746 18824 9148 1 15 . 1 1 99 99 LEU H H 99 8.494 8.494 8.597 -0.103 18824 9149 1 15 . 1 1 100 100 GLN N N 100 118.689 118.689 117.625 1.064 18824 9150 1 15 . 1 1 100 100 GLN HA H 100 3.964 3.964 3.988 -0.024 18824 9151 1 15 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.685 -0.052 18824 9152 1 15 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.015 -0.297 18824 9153 1 15 . 1 1 100 100 GLN H H 100 8.202 8.202 8.636 -0.434 18824 9154 1 15 . 1 1 101 101 LYS N N 101 120.369 120.369 119.106 1.263 18824 9155 1 15 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.105 -0.171 18824 9156 1 15 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.162 0.580 18824 9157 1 15 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.349 -0.488 18824 9158 1 15 . 1 1 101 101 LYS H H 101 7.783 7.783 7.483 0.300 18824 9159 1 15 . 1 1 102 102 LEU N N 102 117.862 117.862 117.863 -0.001 18824 9160 1 15 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.159 -0.002 18824 9161 1 15 . 1 1 102 102 LEU C C 102 177.526 177.526 177.797 -0.271 18824 9162 1 15 . 1 1 102 102 LEU CA C 102 55.174 55.174 55.908 -0.734 18824 9163 1 15 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.921 0.045 18824 9164 1 15 . 1 1 102 102 LEU H H 102 7.512 7.512 7.427 0.085 18824 9165 1 15 . 1 1 103 103 GLY N N 103 108.863 108.863 105.953 2.910 18824 9166 1 15 . 1 1 103 103 GLY C C 103 174.353 174.353 172.798 1.555 18824 9167 1 15 . 1 1 103 103 GLY CA C 103 45.565 45.565 44.547 1.018 18824 9168 1 15 . 1 1 103 103 GLY H H 103 7.851 7.851 8.144 -0.293 18824 9169 1 15 . 1 1 104 104 VAL N N 104 120.506 120.506 123.960 -3.454 18824 9170 1 15 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.183 -0.331 18824 9171 1 15 . 1 1 104 104 VAL CA C 104 61.751 61.751 62.151 -0.400 18824 9172 1 15 . 1 1 104 104 VAL CB C 104 32.824 32.824 31.114 1.710 18824 9173 1 15 . 1 1 104 104 VAL H H 104 7.726 7.726 8.591 -0.865 18824 9174 1 15 . 1 1 105 105 GLN N N 105 124.776 124.776 127.187 -2.411 18824 9175 1 15 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.664 -0.557 18824 9176 1 15 . 1 1 105 105 GLN CA C 105 55.170 55.170 54.719 0.451 18824 9177 1 15 . 1 1 105 105 GLN CB C 105 28.783 28.783 29.217 -0.434 18824 9178 1 15 . 1 1 105 105 GLN H H 105 8.245 8.245 8.451 -0.206 18824 9179 1 15 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.805 -0.344 18824 9180 1 15 . 1 1 106 106 VAL C C 106 179.182 179.182 176.602 2.580 18824 9181 1 15 . 1 1 106 106 VAL CA C 106 64.553 64.553 64.163 0.390 18824 9182 1 15 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.860 -1.551 18824 9183 1 15 . 1 1 106 106 VAL H H 106 8.504 8.504 7.868 0.636 18824 9184 1 15 . 1 1 107 107 ARG HA H 107 4.240 4.240 3.997 0.243 18824 9185 1 15 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.391 -0.772 18824 9186 1 15 . 1 1 108 108 GLU CA C 108 59.746 59.746 56.799 2.947 18824 9187 1 15 . 1 1 108 108 GLU CB C 108 29.234 29.234 31.643 -2.409 18824 9188 1 15 . 1 1 108 108 GLU H H 108 8.690 8.690 7.643 1.047 18824 9189 1 15 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.112 -0.070 18824 9190 1 15 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.165 -0.805 18824 9191 1 15 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.320 0.800 18824 9192 1 15 . 1 1 111 111 LEU N N 111 116.974 116.974 117.125 -0.151 18824 9193 1 15 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.125 -0.042 18824 9194 1 15 . 1 1 111 111 LEU C C 111 177.598 177.598 178.994 -1.396 18824 9195 1 15 . 1 1 111 111 LEU CA C 111 55.628 55.628 56.542 -0.915 18824 9196 1 15 . 1 1 111 111 LEU CB C 111 40.977 40.977 40.692 0.285 18824 9197 1 15 . 1 1 111 111 LEU H H 111 7.791 7.791 7.507 0.284 18824 9198 1 15 . 1 1 112 112 ARG N N 112 119.231 119.231 120.943 -1.712 18824 9199 1 15 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.061 0.091 18824 9200 1 15 . 1 1 112 112 ARG C C 112 176.246 176.246 175.840 0.406 18824 9201 1 15 . 1 1 112 112 ARG CA C 112 56.180 56.180 57.219 -1.039 18824 9202 1 15 . 1 1 112 112 ARG CB C 112 30.340 30.340 30.783 -0.443 18824 9203 1 15 . 1 1 112 112 ARG H H 112 7.528 7.528 7.998 -0.470 18824 9204 1 15 . 1 1 113 113 ALA N N 113 123.896 123.896 120.255 3.641 18824 9205 1 15 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.157 -0.018 18824 9206 1 15 . 1 1 113 113 ALA C C 113 177.783 177.783 176.345 1.438 18824 9207 1 15 . 1 1 113 113 ALA CA C 113 52.649 52.649 52.295 0.354 18824 9208 1 15 . 1 1 113 113 ALA CB C 113 18.618 18.618 18.415 0.203 18824 9209 1 15 . 1 1 113 113 ALA H H 113 7.954 7.954 7.106 0.848 18824 9210 1 15 . 1 1 114 114 GLN N N 114 118.555 118.555 123.224 -4.669 18824 9211 1 15 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.241 -0.082 18824 9212 1 15 . 1 1 114 114 GLN C C 114 175.815 175.815 175.979 -0.164 18824 9213 1 15 . 1 1 114 114 GLN CA C 114 55.551 55.551 55.102 0.449 18824 9214 1 15 . 1 1 114 114 GLN CB C 114 29.023 29.023 27.645 1.378 18824 9215 1 15 . 1 1 114 114 GLN H H 114 8.121 8.121 8.485 -0.364 18824 9216 1 15 . 1 1 115 115 GLU N N 115 121.589 121.589 123.808 -2.219 18824 9217 1 15 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.287 -0.157 18824 9218 1 15 . 1 1 115 115 GLU C C 115 175.637 175.637 176.132 -0.495 18824 9219 1 15 . 1 1 115 115 GLU CA C 115 55.779 55.779 56.167 -0.388 18824 9220 1 15 . 1 1 115 115 GLU CB C 115 30.038 30.038 30.060 -0.022 18824 9221 1 15 . 1 1 115 115 GLU H H 115 8.164 8.164 8.118 0.046 18824 9222 1 15 . 1 1 116 116 ALA N N 116 126.435 126.435 128.657 -2.222 18824 9223 1 15 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.627 -0.168 18824 9224 1 15 . 1 1 116 116 ALA CA C 116 50.094 50.094 49.401 0.693 18824 9225 1 15 . 1 1 116 116 ALA CB C 116 17.622 17.622 18.806 -1.184 18824 9226 1 15 . 1 1 116 116 ALA H H 116 8.266 8.266 8.560 -0.294 18824 9227 1 15 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.189 0.115 18824 9228 1 15 . 1 1 117 117 PRO C C 117 177.580 177.580 177.606 -0.026 18824 9229 1 15 . 1 1 117 117 PRO CA C 117 62.789 62.789 63.855 -1.066 18824 9230 1 15 . 1 1 117 117 PRO CB C 117 31.812 31.812 30.733 1.079 18824 9231 1 15 . 1 1 118 118 GLY N N 118 109.304 109.304 113.474 -4.170 18824 9232 1 15 . 1 1 118 118 GLY C C 118 173.872 173.872 173.495 0.377 18824 9233 1 15 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.082 -0.068 18824 9234 1 15 . 1 1 118 118 GLY H H 118 8.425 8.425 8.690 -0.265 18824 9235 1 15 . 1 1 119 119 GLN N N 119 120.070 120.070 116.955 3.115 18824 9236 1 15 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.483 -0.269 18824 9237 1 15 . 1 1 119 119 GLN C C 119 174.692 174.692 173.511 1.181 18824 9238 1 15 . 1 1 119 119 GLN CA C 119 55.442 55.442 54.926 0.516 18824 9239 1 15 . 1 1 119 119 GLN CB C 119 29.308 29.308 30.005 -0.697 18824 9240 1 15 . 1 1 119 119 GLN H H 119 8.081 8.081 7.913 0.168 18824 9241 1 16 . 1 1 5 5 ILE N N 5 119.691 119.691 122.727 -3.036 18824 9242 1 16 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.268 -0.210 18824 9243 1 16 . 1 1 5 5 ILE C C 5 175.649 175.649 175.129 0.520 18824 9244 1 16 . 1 1 5 5 ILE CA C 5 60.596 60.596 60.928 -0.332 18824 9245 1 16 . 1 1 5 5 ILE CB C 5 38.674 38.674 39.675 -1.001 18824 9246 1 16 . 1 1 5 5 ILE H H 5 8.370 8.370 8.121 0.249 18824 9247 1 16 . 1 1 6 6 ASP N N 6 126.564 126.564 126.888 -0.324 18824 9248 1 16 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.814 -0.124 18824 9249 1 16 . 1 1 6 6 ASP CA C 6 52.261 52.261 53.134 -0.873 18824 9250 1 16 . 1 1 6 6 ASP CB C 6 40.555 40.555 41.989 -1.434 18824 9251 1 16 . 1 1 6 6 ASP H H 6 8.373 8.373 8.453 -0.080 18824 9252 1 16 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.206 -0.046 18824 9253 1 16 . 1 1 7 7 PRO C C 7 176.417 176.417 175.359 1.058 18824 9254 1 16 . 1 1 7 7 PRO CA C 7 63.051 63.051 64.145 -1.094 18824 9255 1 16 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.384 -0.704 18824 9256 1 16 . 1 1 8 8 PHE N N 8 117.858 117.858 114.701 3.157 18824 9257 1 16 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.609 -0.065 18824 9258 1 16 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.872 -0.619 18824 9259 1 16 . 1 1 8 8 PHE CB C 8 38.444 38.444 42.614 -4.170 18824 9260 1 16 . 1 1 8 8 PHE H H 8 7.974 7.974 7.590 0.384 18824 9261 1 16 . 1 1 9 9 THR N N 9 112.459 112.459 118.289 -5.830 18824 9262 1 16 . 1 1 9 9 THR HA H 9 4.338 4.338 4.528 -0.190 18824 9263 1 16 . 1 1 9 9 THR C C 9 175.888 175.888 174.279 1.609 18824 9264 1 16 . 1 1 9 9 THR CA C 9 60.827 60.827 62.356 -1.529 18824 9265 1 16 . 1 1 9 9 THR CB C 9 69.387 69.387 69.504 -0.117 18824 9266 1 16 . 1 1 9 9 THR H H 9 7.927 7.927 8.533 -0.606 18824 9267 1 16 . 1 1 10 10 MET N N 10 121.338 121.338 124.732 -3.394 18824 9268 1 16 . 1 1 10 10 MET HA H 10 4.310 4.310 4.064 0.246 18824 9269 1 16 . 1 1 10 10 MET C C 10 174.386 174.386 175.827 -1.441 18824 9270 1 16 . 1 1 10 10 MET CA C 10 52.415 52.415 57.713 -5.298 18824 9271 1 16 . 1 1 10 10 MET H H 10 7.648 7.648 8.789 -1.141 18824 9272 1 16 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.227 0.463 18824 9273 1 16 . 1 1 11 11 LEU CA C 11 52.606 52.606 54.628 -2.022 18824 9274 1 16 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.435 3.644 18824 9275 1 16 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.603 0.014 18824 9276 1 16 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.691 -0.426 18824 9277 1 16 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.674 -0.848 18824 9278 1 16 . 1 1 13 13 ARG N N 13 118.005 118.005 119.299 -1.294 18824 9279 1 16 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.646 -0.262 18824 9280 1 16 . 1 1 13 13 ARG C C 13 173.498 173.498 175.238 -1.740 18824 9281 1 16 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.474 0.202 18824 9282 1 16 . 1 1 13 13 ARG CB C 13 32.565 32.565 32.871 -0.306 18824 9283 1 16 . 1 1 13 13 ARG H H 13 8.484 8.484 8.234 0.250 18824 9284 1 16 . 1 1 14 14 LEU N N 14 124.897 124.897 124.407 0.490 18824 9285 1 16 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.295 0.573 18824 9286 1 16 . 1 1 14 14 LEU C C 14 176.144 176.144 176.294 -0.150 18824 9287 1 16 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.272 -1.225 18824 9288 1 16 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.455 0.502 18824 9289 1 16 . 1 1 14 14 LEU H H 14 8.520 8.520 8.553 -0.033 18824 9290 1 16 . 1 1 15 15 CYS N N 15 127.167 127.167 125.206 1.961 18824 9291 1 16 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.550 0.041 18824 9292 1 16 . 1 1 15 15 CYS C C 15 173.408 173.408 174.196 -0.788 18824 9293 1 16 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.638 -1.184 18824 9294 1 16 . 1 1 15 15 CYS CB C 15 29.325 29.325 27.563 1.762 18824 9295 1 16 . 1 1 15 15 CYS H H 15 9.247 9.247 9.033 0.214 18824 9296 1 16 . 1 1 16 16 CYS N N 16 125.133 125.133 126.744 -1.611 18824 9297 1 16 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.127 -0.391 18824 9298 1 16 . 1 1 16 16 CYS C C 16 172.784 172.784 174.784 -2.000 18824 9299 1 16 . 1 1 16 16 CYS CA C 16 58.040 58.040 59.235 -1.195 18824 9300 1 16 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.517 -0.275 18824 9301 1 16 . 1 1 16 16 CYS H H 16 9.049 9.049 8.856 0.193 18824 9302 1 16 . 1 1 17 17 LEU N N 17 124.624 124.624 126.275 -1.651 18824 9303 1 16 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.627 0.025 18824 9304 1 16 . 1 1 17 17 LEU C C 17 175.672 175.672 176.602 -0.930 18824 9305 1 16 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.830 1.394 18824 9306 1 16 . 1 1 17 17 LEU CB C 17 44.042 44.042 43.471 0.571 18824 9307 1 16 . 1 1 17 17 LEU H H 17 8.750 8.750 8.629 0.121 18824 9308 1 16 . 1 1 18 18 GLU N N 18 121.610 121.610 119.413 2.197 18824 9309 1 16 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.706 0.054 18824 9310 1 16 . 1 1 18 18 GLU C C 18 175.548 175.548 175.581 -0.033 18824 9311 1 16 . 1 1 18 18 GLU CA C 18 54.861 54.861 55.123 -0.262 18824 9312 1 16 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.377 -0.065 18824 9313 1 16 . 1 1 18 18 GLU H H 18 8.304 8.304 8.498 -0.194 18824 9314 1 16 . 1 1 19 19 LYS N N 19 123.922 123.922 128.891 -4.969 18824 9315 1 16 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.920 -0.810 18824 9316 1 16 . 1 1 19 19 LYS C C 19 176.635 176.635 176.525 0.110 18824 9317 1 16 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.134 2.354 18824 9318 1 16 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.163 0.162 18824 9319 1 16 . 1 1 19 19 LYS H H 19 8.131 8.131 8.647 -0.516 18824 9320 1 16 . 1 1 20 20 GLY N N 20 112.282 112.282 114.401 -2.119 18824 9321 1 16 . 1 1 20 20 GLY CA C 20 44.045 44.045 43.987 0.058 18824 9322 1 16 . 1 1 20 20 GLY H H 20 6.955 6.955 8.441 -1.486 18824 9323 1 16 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.304 -0.127 18824 9324 1 16 . 1 1 21 21 PRO C C 21 177.081 177.081 176.771 0.310 18824 9325 1 16 . 1 1 21 21 PRO CA C 21 64.322 64.322 65.032 -0.710 18824 9326 1 16 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.666 -0.085 18824 9327 1 16 . 1 1 22 22 ASN N N 22 114.637 114.637 115.902 -1.265 18824 9328 1 16 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.867 0.052 18824 9329 1 16 . 1 1 22 22 ASN C C 22 175.102 175.102 175.239 -0.137 18824 9330 1 16 . 1 1 22 22 ASN CA C 22 51.618 51.618 52.445 -0.827 18824 9331 1 16 . 1 1 22 22 ASN CB C 22 38.930 38.930 38.592 0.338 18824 9332 1 16 . 1 1 22 22 ASN H H 22 8.462 8.462 7.963 0.499 18824 9333 1 16 . 1 1 23 23 GLY N N 23 107.193 107.193 108.338 -1.145 18824 9334 1 16 . 1 1 23 23 GLY C C 23 174.932 174.932 173.824 1.108 18824 9335 1 16 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.855 -1.429 18824 9336 1 16 . 1 1 23 23 GLY H H 23 7.499 7.499 7.802 -0.303 18824 9337 1 16 . 1 1 24 24 TYR N N 24 119.910 119.910 123.543 -3.633 18824 9338 1 16 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.852 -0.543 18824 9339 1 16 . 1 1 24 24 TYR C C 24 177.188 177.188 176.349 0.839 18824 9340 1 16 . 1 1 24 24 TYR CA C 24 60.745 60.745 57.584 3.161 18824 9341 1 16 . 1 1 24 24 TYR CB C 24 40.447 40.447 40.160 0.287 18824 9342 1 16 . 1 1 24 24 TYR H H 24 8.894 8.894 8.376 0.518 18824 9343 1 16 . 1 1 25 25 GLY N N 25 104.016 104.016 106.078 -2.062 18824 9344 1 16 . 1 1 25 25 GLY C C 25 173.020 173.020 172.919 0.101 18824 9345 1 16 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.504 0.017 18824 9346 1 16 . 1 1 25 25 GLY H H 25 8.394 8.394 8.224 0.170 18824 9347 1 16 . 1 1 26 26 PHE N N 26 110.891 110.891 117.131 -6.240 18824 9348 1 16 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.857 -0.218 18824 9349 1 16 . 1 1 26 26 PHE C C 26 172.250 172.250 173.870 -1.620 18824 9350 1 16 . 1 1 26 26 PHE CA C 26 54.106 54.106 53.962 0.144 18824 9351 1 16 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.854 -0.164 18824 9352 1 16 . 1 1 26 26 PHE H H 26 6.711 6.711 7.538 -0.827 18824 9353 1 16 . 1 1 27 27 HIS N N 27 118.261 118.261 120.282 -2.021 18824 9354 1 16 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.800 -0.016 18824 9355 1 16 . 1 1 27 27 HIS C C 27 174.659 174.659 173.655 1.004 18824 9356 1 16 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.082 -0.525 18824 9357 1 16 . 1 1 27 27 HIS CB C 27 32.844 32.844 32.695 0.149 18824 9358 1 16 . 1 1 27 27 HIS H H 27 7.964 7.964 9.401 -1.437 18824 9359 1 16 . 1 1 28 28 LEU N N 28 125.694 125.694 126.144 -0.450 18824 9360 1 16 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.303 0.182 18824 9361 1 16 . 1 1 28 28 LEU C C 28 176.849 176.849 175.184 1.665 18824 9362 1 16 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.795 -0.133 18824 9363 1 16 . 1 1 28 28 LEU CB C 28 45.031 45.031 45.148 -0.117 18824 9364 1 16 . 1 1 28 28 LEU H H 28 9.554 9.554 8.818 0.736 18824 9365 1 16 . 1 1 29 29 HIS N N 29 119.263 119.263 121.870 -2.607 18824 9366 1 16 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.210 -0.449 18824 9367 1 16 . 1 1 29 29 HIS C C 29 173.447 173.447 173.777 -0.330 18824 9368 1 16 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.363 2.428 18824 9369 1 16 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.572 -0.736 18824 9370 1 16 . 1 1 29 29 HIS H H 29 9.625 9.625 9.509 0.116 18824 9371 1 16 . 1 1 30 30 GLY N N 30 110.254 110.254 110.099 0.155 18824 9372 1 16 . 1 1 30 30 GLY C C 30 172.917 172.917 173.781 -0.864 18824 9373 1 16 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.502 -0.518 18824 9374 1 16 . 1 1 30 30 GLY H H 30 8.403 8.403 8.748 -0.345 18824 9375 1 16 . 1 1 31 31 GLU N N 31 119.753 119.753 123.483 -3.730 18824 9376 1 16 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.310 -0.027 18824 9377 1 16 . 1 1 31 31 GLU C C 31 175.939 175.939 176.102 -0.163 18824 9378 1 16 . 1 1 31 31 GLU CA C 31 54.431 54.431 55.897 -1.466 18824 9379 1 16 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.941 1.402 18824 9380 1 16 . 1 1 31 31 GLU H H 31 9.060 9.060 8.592 0.468 18824 9381 1 16 . 1 1 32 32 LYS N N 32 124.046 124.046 120.965 3.081 18824 9382 1 16 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.391 -0.477 18824 9383 1 16 . 1 1 32 32 LYS C C 32 177.776 177.776 177.455 0.321 18824 9384 1 16 . 1 1 32 32 LYS CA C 32 57.714 57.714 56.415 1.299 18824 9385 1 16 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.472 -0.641 18824 9386 1 16 . 1 1 32 32 LYS H H 32 8.424 8.424 8.398 0.026 18824 9387 1 16 . 1 1 33 33 GLY N N 33 113.177 113.177 113.825 -0.648 18824 9388 1 16 . 1 1 33 33 GLY C C 33 173.408 173.408 174.260 -0.852 18824 9389 1 16 . 1 1 33 33 GLY CA C 33 45.033 45.033 45.278 -0.245 18824 9390 1 16 . 1 1 33 33 GLY H H 33 8.856 8.856 8.736 0.120 18824 9391 1 16 . 1 1 34 34 LYS N N 34 118.719 118.719 119.181 -0.462 18824 9392 1 16 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.513 0.127 18824 9393 1 16 . 1 1 34 34 LYS C C 34 176.528 176.528 176.743 -0.215 18824 9394 1 16 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.556 -0.999 18824 9395 1 16 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.614 1.249 18824 9396 1 16 . 1 1 34 34 LYS H H 34 7.790 7.790 7.593 0.197 18824 9397 1 16 . 1 1 35 35 LEU N N 35 124.084 124.084 113.955 10.129 18824 9398 1 16 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.846 -0.361 18824 9399 1 16 . 1 1 35 35 LEU C C 35 177.646 177.646 176.642 1.004 18824 9400 1 16 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.295 0.367 18824 9401 1 16 . 1 1 35 35 LEU CB C 35 42.676 42.676 44.019 -1.343 18824 9402 1 16 . 1 1 35 35 LEU H H 35 8.759 8.759 8.646 0.113 18824 9403 1 16 . 1 1 36 36 GLY N N 36 110.962 110.962 105.541 5.421 18824 9404 1 16 . 1 1 36 36 GLY C C 36 173.070 173.070 172.651 0.419 18824 9405 1 16 . 1 1 36 36 GLY CA C 36 44.526 44.526 43.977 0.549 18824 9406 1 16 . 1 1 36 36 GLY H H 36 8.533 8.533 7.525 1.008 18824 9407 1 16 . 1 1 37 37 GLN N N 37 117.136 117.136 117.489 -0.353 18824 9408 1 16 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.513 -0.024 18824 9409 1 16 . 1 1 37 37 GLN C C 37 173.925 173.925 174.682 -0.757 18824 9410 1 16 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.828 -0.022 18824 9411 1 16 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.497 0.346 18824 9412 1 16 . 1 1 37 37 GLN H H 37 8.885 8.885 8.270 0.615 18824 9413 1 16 . 1 1 38 38 TYR N N 38 119.053 119.053 118.787 0.266 18824 9414 1 16 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.108 0.087 18824 9415 1 16 . 1 1 38 38 TYR C C 38 176.110 176.110 175.615 0.495 18824 9416 1 16 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.092 -0.862 18824 9417 1 16 . 1 1 38 38 TYR CB C 38 41.982 41.982 41.892 0.090 18824 9418 1 16 . 1 1 38 38 TYR H H 38 8.719 8.719 8.906 -0.187 18824 9419 1 16 . 1 1 39 39 ILE N N 39 120.624 120.624 122.228 -1.604 18824 9420 1 16 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.459 -0.209 18824 9421 1 16 . 1 1 39 39 ILE C C 39 175.797 175.797 176.679 -0.882 18824 9422 1 16 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.129 -1.898 18824 9423 1 16 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.421 -1.027 18824 9424 1 16 . 1 1 39 39 ILE H H 39 9.208 9.208 8.741 0.467 18824 9425 1 16 . 1 1 40 40 ARG N N 40 130.372 130.372 129.996 0.376 18824 9426 1 16 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.363 -0.276 18824 9427 1 16 . 1 1 40 40 ARG C C 40 174.846 174.846 175.394 -0.548 18824 9428 1 16 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.541 0.069 18824 9429 1 16 . 1 1 40 40 ARG CB C 40 31.315 31.315 31.966 -0.651 18824 9430 1 16 . 1 1 40 40 ARG H H 40 9.240 9.240 9.354 -0.114 18824 9431 1 16 . 1 1 41 41 LEU N N 41 116.642 116.642 117.743 -1.101 18824 9432 1 16 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.613 -0.255 18824 9433 1 16 . 1 1 41 41 LEU C C 41 173.658 173.658 174.479 -0.821 18824 9434 1 16 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.639 0.046 18824 9435 1 16 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.418 -0.203 18824 9436 1 16 . 1 1 41 41 LEU H H 41 7.130 7.130 7.677 -0.547 18824 9437 1 16 . 1 1 42 42 VAL N N 42 125.934 125.934 122.744 3.190 18824 9438 1 16 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.671 -0.316 18824 9439 1 16 . 1 1 42 42 VAL C C 42 175.548 175.548 175.344 0.204 18824 9440 1 16 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.980 0.272 18824 9441 1 16 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.640 -0.417 18824 9442 1 16 . 1 1 42 42 VAL H H 42 8.731 8.731 8.231 0.500 18824 9443 1 16 . 1 1 43 43 GLU N N 43 128.285 128.285 129.052 -0.767 18824 9444 1 16 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.499 -0.178 18824 9445 1 16 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.251 0.409 18824 9446 1 16 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.663 -0.934 18824 9447 1 16 . 1 1 43 43 GLU H H 43 9.102 9.102 9.109 -0.007 18824 9448 1 16 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.627 -0.187 18824 9449 1 16 . 1 1 44 44 PRO C C 44 178.222 178.222 176.831 1.391 18824 9450 1 16 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.632 -0.334 18824 9451 1 16 . 1 1 44 44 PRO CB C 44 31.388 31.388 30.764 0.624 18824 9452 1 16 . 1 1 45 45 GLY N N 45 113.166 113.166 114.981 -1.815 18824 9453 1 16 . 1 1 45 45 GLY C C 45 173.515 173.515 173.850 -0.335 18824 9454 1 16 . 1 1 45 45 GLY CA C 45 45.525 45.525 45.034 0.491 18824 9455 1 16 . 1 1 45 45 GLY H H 45 9.416 9.416 9.711 -0.295 18824 9456 1 16 . 1 1 46 46 SER N N 46 114.219 114.219 115.434 -1.215 18824 9457 1 16 . 1 1 46 46 SER HA H 46 4.670 4.670 5.067 -0.397 18824 9458 1 16 . 1 1 46 46 SER CA C 46 57.103 57.103 55.847 1.256 18824 9459 1 16 . 1 1 46 46 SER CB C 46 64.458 64.458 65.329 -0.871 18824 9460 1 16 . 1 1 46 46 SER H H 46 7.422 7.422 7.753 -0.331 18824 9461 1 16 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.430 -0.143 18824 9462 1 16 . 1 1 47 47 PRO C C 47 179.487 179.487 177.790 1.697 18824 9463 1 16 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.558 0.779 18824 9464 1 16 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.723 0.616 18824 9465 1 16 . 1 1 48 48 ALA N N 48 116.941 116.941 122.094 -5.153 18824 9466 1 16 . 1 1 48 48 ALA HA H 48 3.808 3.808 4.070 -0.262 18824 9467 1 16 . 1 1 48 48 ALA C C 48 177.063 177.063 179.465 -2.402 18824 9468 1 16 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.186 -0.076 18824 9469 1 16 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.240 1.934 18824 9470 1 16 . 1 1 48 48 ALA H H 48 7.855 7.855 7.851 0.004 18824 9471 1 16 . 1 1 49 49 GLU N N 49 120.064 120.064 117.616 2.448 18824 9472 1 16 . 1 1 49 49 GLU HA H 49 3.854 3.854 3.989 -0.135 18824 9473 1 16 . 1 1 49 49 GLU C C 49 181.038 181.038 178.799 2.239 18824 9474 1 16 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.823 0.358 18824 9475 1 16 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.739 -0.070 18824 9476 1 16 . 1 1 49 49 GLU H H 49 7.732 7.732 8.020 -0.288 18824 9477 1 16 . 1 1 50 50 LYS N N 50 120.570 120.570 117.406 3.164 18824 9478 1 16 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.127 -0.203 18824 9479 1 16 . 1 1 50 50 LYS C C 50 177.580 177.580 178.169 -0.589 18824 9480 1 16 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.649 0.131 18824 9481 1 16 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.103 -0.299 18824 9482 1 16 . 1 1 50 50 LYS H H 50 8.156 8.156 7.501 0.655 18824 9483 1 16 . 1 1 51 51 ALA N N 51 117.482 117.482 119.744 -2.262 18824 9484 1 16 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.323 -0.015 18824 9485 1 16 . 1 1 51 51 ALA C C 51 177.509 177.509 176.784 0.725 18824 9486 1 16 . 1 1 51 51 ALA CA C 51 52.118 52.118 51.905 0.213 18824 9487 1 16 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.894 0.301 18824 9488 1 16 . 1 1 51 51 ALA H H 51 7.730 7.730 7.505 0.225 18824 9489 1 16 . 1 1 52 52 GLY N N 52 103.549 103.549 106.400 -2.851 18824 9490 1 16 . 1 1 52 52 GLY C C 52 174.888 174.888 173.558 1.330 18824 9491 1 16 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.718 0.305 18824 9492 1 16 . 1 1 52 52 GLY H H 52 7.513 7.513 7.448 0.065 18824 9493 1 16 . 1 1 53 53 LEU N N 53 120.806 120.806 123.007 -2.201 18824 9494 1 16 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.655 -0.799 18824 9495 1 16 . 1 1 53 53 LEU C C 53 174.692 174.692 175.011 -0.319 18824 9496 1 16 . 1 1 53 53 LEU CA C 53 55.190 55.190 54.671 0.519 18824 9497 1 16 . 1 1 53 53 LEU CB C 53 42.994 42.994 43.837 -0.843 18824 9498 1 16 . 1 1 53 53 LEU H H 53 7.420 7.420 7.853 -0.433 18824 9499 1 16 . 1 1 54 54 LEU N N 54 122.726 122.726 123.823 -1.097 18824 9500 1 16 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.804 -0.299 18824 9501 1 16 . 1 1 54 54 LEU C C 54 176.350 176.350 175.846 0.504 18824 9502 1 16 . 1 1 54 54 LEU CA C 54 52.981 52.981 52.384 0.597 18824 9503 1 16 . 1 1 54 54 LEU CB C 54 45.564 45.564 45.958 -0.394 18824 9504 1 16 . 1 1 54 54 LEU H H 54 8.546 8.546 8.807 -0.261 18824 9505 1 16 . 1 1 55 55 ALA N N 55 122.735 122.735 122.669 0.066 18824 9506 1 16 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.497 -0.766 18824 9507 1 16 . 1 1 55 55 ALA C C 55 179.077 179.077 177.408 1.669 18824 9508 1 16 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.032 -0.032 18824 9509 1 16 . 1 1 55 55 ALA CB C 55 17.068 17.068 18.178 -1.110 18824 9510 1 16 . 1 1 55 55 ALA H H 55 8.551 8.551 8.598 -0.047 18824 9511 1 16 . 1 1 56 56 GLY N N 56 112.553 112.553 112.405 0.148 18824 9512 1 16 . 1 1 56 56 GLY C C 56 174.638 174.638 174.237 0.401 18824 9513 1 16 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.018 -0.537 18824 9514 1 16 . 1 1 56 56 GLY H H 56 9.450 9.450 8.396 1.054 18824 9515 1 16 . 1 1 57 57 ASP N N 57 121.912 121.912 124.060 -2.148 18824 9516 1 16 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.537 0.010 18824 9517 1 16 . 1 1 57 57 ASP C C 57 174.539 174.539 174.870 -0.331 18824 9518 1 16 . 1 1 57 57 ASP CA C 57 55.157 55.157 55.901 -0.744 18824 9519 1 16 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.590 -0.106 18824 9520 1 16 . 1 1 57 57 ASP H H 57 7.948 7.948 7.861 0.087 18824 9521 1 16 . 1 1 58 58 ARG N N 58 122.512 122.512 122.406 0.106 18824 9522 1 16 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.862 -0.881 18824 9523 1 16 . 1 1 58 58 ARG C C 58 175.512 175.512 175.187 0.325 18824 9524 1 16 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.578 -0.409 18824 9525 1 16 . 1 1 58 58 ARG CB C 58 32.435 32.435 32.417 0.018 18824 9526 1 16 . 1 1 58 58 ARG H H 58 8.570 8.570 8.103 0.467 18824 9527 1 16 . 1 1 59 59 LEU N N 59 126.506 126.506 128.289 -1.783 18824 9528 1 16 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.236 -0.177 18824 9529 1 16 . 1 1 59 59 LEU C C 59 174.420 174.420 175.316 -0.896 18824 9530 1 16 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.294 -0.115 18824 9531 1 16 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.090 0.385 18824 9532 1 16 . 1 1 59 59 LEU H H 59 7.917 7.917 8.787 -0.870 18824 9533 1 16 . 1 1 60 60 VAL N N 60 124.914 124.914 126.387 -1.473 18824 9534 1 16 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.032 -0.122 18824 9535 1 16 . 1 1 60 60 VAL CA C 60 63.788 63.788 64.174 -0.386 18824 9536 1 16 . 1 1 60 60 VAL CB C 60 32.805 32.805 32.567 0.238 18824 9537 1 16 . 1 1 60 60 VAL H H 60 8.781 8.781 9.081 -0.300 18824 9538 1 16 . 1 1 61 61 GLU N N 61 112.868 112.868 118.742 -5.874 18824 9539 1 16 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.082 0.130 18824 9540 1 16 . 1 1 61 61 GLU C C 61 175.717 175.717 174.191 1.526 18824 9541 1 16 . 1 1 61 61 GLU CA C 61 54.186 54.186 54.907 -0.721 18824 9542 1 16 . 1 1 61 61 GLU CB C 61 34.458 34.458 34.120 0.338 18824 9543 1 16 . 1 1 61 61 GLU H H 61 7.332 7.332 8.084 -0.752 18824 9544 1 16 . 1 1 62 62 VAL N N 62 118.357 118.357 123.845 -5.488 18824 9545 1 16 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.615 -0.293 18824 9546 1 16 . 1 1 62 62 VAL C C 62 175.495 175.495 175.127 0.368 18824 9547 1 16 . 1 1 62 62 VAL CA C 62 60.750 60.750 61.014 -0.264 18824 9548 1 16 . 1 1 62 62 VAL CB C 62 33.376 33.376 35.146 -1.770 18824 9549 1 16 . 1 1 62 62 VAL H H 62 8.342 8.342 8.904 -0.562 18824 9550 1 16 . 1 1 63 63 ASN N N 63 129.063 129.063 126.100 2.963 18824 9551 1 16 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.284 -0.105 18824 9552 1 16 . 1 1 63 63 ASN C C 63 175.051 175.051 175.891 -0.840 18824 9553 1 16 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.328 -0.684 18824 9554 1 16 . 1 1 63 63 ASN CB C 63 36.328 36.328 37.945 -1.617 18824 9555 1 16 . 1 1 63 63 ASN H H 63 9.830 9.830 9.428 0.402 18824 9556 1 16 . 1 1 64 64 GLY N N 64 103.346 103.346 104.459 -1.113 18824 9557 1 16 . 1 1 64 64 GLY C C 64 173.276 173.276 173.213 0.063 18824 9558 1 16 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.282 -0.239 18824 9559 1 16 . 1 1 64 64 GLY H H 64 9.222 9.222 9.193 0.029 18824 9560 1 16 . 1 1 65 65 GLU N N 65 119.230 119.230 120.547 -1.317 18824 9561 1 16 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.505 -0.016 18824 9562 1 16 . 1 1 65 65 GLU C C 65 174.745 174.745 174.937 -0.192 18824 9563 1 16 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.787 -0.096 18824 9564 1 16 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.101 -1.299 18824 9565 1 16 . 1 1 65 65 GLU H H 65 7.553 7.553 7.464 0.089 18824 9566 1 16 . 1 1 66 66 ASN N N 66 123.478 123.478 126.126 -2.648 18824 9567 1 16 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.653 0.035 18824 9568 1 16 . 1 1 66 66 ASN C C 66 176.144 176.144 175.893 0.251 18824 9569 1 16 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.694 0.530 18824 9570 1 16 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.481 1.108 18824 9571 1 16 . 1 1 66 66 ASN H H 66 8.865 8.865 8.946 -0.081 18824 9572 1 16 . 1 1 67 67 VAL N N 67 117.695 117.695 120.003 -2.308 18824 9573 1 16 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.563 -0.060 18824 9574 1 16 . 1 1 67 67 VAL C C 67 177.475 177.475 176.577 0.898 18824 9575 1 16 . 1 1 67 67 VAL CA C 67 59.756 59.756 61.042 -1.286 18824 9576 1 16 . 1 1 67 67 VAL CB C 67 31.321 31.321 31.981 -0.660 18824 9577 1 16 . 1 1 67 67 VAL H H 67 8.210 8.210 8.802 -0.592 18824 9578 1 16 . 1 1 68 68 GLU N N 68 122.899 122.899 121.934 0.965 18824 9579 1 16 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.100 -0.179 18824 9580 1 16 . 1 1 68 68 GLU C C 68 177.348 177.348 176.967 0.381 18824 9581 1 16 . 1 1 68 68 GLU CA C 68 59.762 59.762 59.152 0.610 18824 9582 1 16 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.496 1.714 18824 9583 1 16 . 1 1 68 68 GLU H H 68 8.427 8.427 7.812 0.615 18824 9584 1 16 . 1 1 69 69 LYS N N 69 113.848 113.848 115.054 -1.206 18824 9585 1 16 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.754 -0.340 18824 9586 1 16 . 1 1 69 69 LYS C C 69 176.510 176.510 175.997 0.513 18824 9587 1 16 . 1 1 69 69 LYS CA C 69 54.675 54.675 55.486 -0.811 18824 9588 1 16 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.694 -0.932 18824 9589 1 16 . 1 1 69 69 LYS H H 69 8.576 8.576 7.954 0.622 18824 9590 1 16 . 1 1 70 70 GLU N N 70 119.980 119.980 120.719 -0.739 18824 9591 1 16 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.571 -0.210 18824 9592 1 16 . 1 1 70 70 GLU C C 70 176.831 176.831 175.541 1.290 18824 9593 1 16 . 1 1 70 70 GLU CA C 70 56.329 56.329 55.001 1.328 18824 9594 1 16 . 1 1 70 70 GLU CB C 70 31.293 31.293 30.772 0.521 18824 9595 1 16 . 1 1 70 70 GLU H H 70 6.994 6.994 7.786 -0.792 18824 9596 1 16 . 1 1 71 71 THR N N 71 110.696 110.696 108.927 1.769 18824 9597 1 16 . 1 1 71 71 THR HA H 71 4.270 4.270 4.927 -0.657 18824 9598 1 16 . 1 1 71 71 THR C C 71 174.812 174.812 175.698 -0.886 18824 9599 1 16 . 1 1 71 71 THR CA C 71 60.267 60.267 60.385 -0.118 18824 9600 1 16 . 1 1 71 71 THR CB C 71 71.497 71.497 71.865 -0.368 18824 9601 1 16 . 1 1 71 71 THR H H 71 8.675 8.675 8.054 0.621 18824 9602 1 16 . 1 1 72 72 HIS N N 72 118.876 118.876 121.437 -2.561 18824 9603 1 16 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.096 -0.512 18824 9604 1 16 . 1 1 72 72 HIS C C 72 175.802 175.802 176.926 -1.124 18824 9605 1 16 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.168 -0.451 18824 9606 1 16 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.887 -1.603 18824 9607 1 16 . 1 1 72 72 HIS H H 72 9.171 9.171 8.840 0.331 18824 9608 1 16 . 1 1 73 73 GLN N N 73 115.563 115.563 118.468 -2.905 18824 9609 1 16 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.063 -0.294 18824 9610 1 16 . 1 1 73 73 GLN C C 73 179.060 179.060 178.527 0.533 18824 9611 1 16 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.189 -0.446 18824 9612 1 16 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.228 -0.435 18824 9613 1 16 . 1 1 73 73 GLN H H 73 8.666 8.666 8.748 -0.082 18824 9614 1 16 . 1 1 74 74 GLN N N 74 119.687 119.687 118.917 0.770 18824 9615 1 16 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.033 -0.196 18824 9616 1 16 . 1 1 74 74 GLN C C 74 179.309 179.309 178.562 0.747 18824 9617 1 16 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.888 -0.165 18824 9618 1 16 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.987 -0.233 18824 9619 1 16 . 1 1 74 74 GLN H H 74 7.614 7.614 7.906 -0.292 18824 9620 1 16 . 1 1 75 75 VAL N N 75 120.633 120.633 117.233 3.400 18824 9621 1 16 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.756 -0.432 18824 9622 1 16 . 1 1 75 75 VAL C C 75 178.031 178.031 177.592 0.439 18824 9623 1 16 . 1 1 75 75 VAL CA C 75 67.423 67.423 65.647 1.776 18824 9624 1 16 . 1 1 75 75 VAL CB C 75 31.069 31.069 30.572 0.497 18824 9625 1 16 . 1 1 75 75 VAL H H 75 8.289 8.289 8.025 0.264 18824 9626 1 16 . 1 1 76 76 VAL N N 76 118.966 118.966 121.814 -2.848 18824 9627 1 16 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.438 -0.110 18824 9628 1 16 . 1 1 76 76 VAL C C 76 178.739 178.739 178.171 0.568 18824 9629 1 16 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.697 0.162 18824 9630 1 16 . 1 1 76 76 VAL CB C 76 30.847 30.847 30.897 -0.050 18824 9631 1 16 . 1 1 76 76 VAL H H 76 8.364 8.364 8.045 0.319 18824 9632 1 16 . 1 1 77 77 SER N N 77 115.158 115.158 115.797 -0.639 18824 9633 1 16 . 1 1 77 77 SER HA H 77 3.994 3.994 4.134 -0.140 18824 9634 1 16 . 1 1 77 77 SER C C 77 176.849 176.849 176.517 0.332 18824 9635 1 16 . 1 1 77 77 SER CA C 77 62.162 62.162 62.293 -0.131 18824 9636 1 16 . 1 1 77 77 SER CB C 77 62.232 62.232 62.667 -0.435 18824 9637 1 16 . 1 1 77 77 SER H H 77 7.871 7.871 8.413 -0.542 18824 9638 1 16 . 1 1 78 78 ARG N N 78 121.310 121.310 121.007 0.303 18824 9639 1 16 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.045 -0.123 18824 9640 1 16 . 1 1 78 78 ARG C C 78 179.309 179.309 178.666 0.643 18824 9641 1 16 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.911 -0.162 18824 9642 1 16 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.067 0.212 18824 9643 1 16 . 1 1 78 78 ARG H H 78 7.469 7.469 7.328 0.141 18824 9644 1 16 . 1 1 79 79 ILE N N 79 119.383 119.383 120.166 -0.783 18824 9645 1 16 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.713 -0.310 18824 9646 1 16 . 1 1 79 79 ILE C C 79 178.364 178.364 178.794 -0.430 18824 9647 1 16 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.665 -0.375 18824 9648 1 16 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.652 -0.428 18824 9649 1 16 . 1 1 79 79 ILE H H 79 7.759 7.759 8.166 -0.407 18824 9650 1 16 . 1 1 80 80 ARG N N 80 119.497 119.497 118.857 0.640 18824 9651 1 16 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.207 -0.229 18824 9652 1 16 . 1 1 80 80 ARG C C 80 177.544 177.544 177.429 0.115 18824 9653 1 16 . 1 1 80 80 ARG CA C 80 58.730 58.730 56.994 1.736 18824 9654 1 16 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.073 0.755 18824 9655 1 16 . 1 1 80 80 ARG H H 80 8.407 8.407 8.247 0.160 18824 9656 1 16 . 1 1 81 81 ALA N N 81 118.814 118.814 119.927 -1.113 18824 9657 1 16 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.270 -0.209 18824 9658 1 16 . 1 1 81 81 ALA C C 81 177.473 177.473 177.352 0.121 18824 9659 1 16 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.832 -0.026 18824 9660 1 16 . 1 1 81 81 ALA CB C 81 18.604 18.604 18.963 -0.359 18824 9661 1 16 . 1 1 81 81 ALA H H 81 7.392 7.392 7.415 -0.023 18824 9662 1 16 . 1 1 82 82 ALA N N 82 121.771 121.771 121.112 0.659 18824 9663 1 16 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.325 -0.015 18824 9664 1 16 . 1 1 82 82 ALA C C 82 177.384 177.384 177.044 0.340 18824 9665 1 16 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.018 -0.414 18824 9666 1 16 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.648 -2.058 18824 9667 1 16 . 1 1 82 82 ALA H H 82 7.182 7.182 7.250 -0.068 18824 9668 1 16 . 1 1 83 83 LEU N N 83 122.357 122.357 122.563 -0.206 18824 9669 1 16 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.121 -0.130 18824 9670 1 16 . 1 1 83 83 LEU C C 83 177.366 177.366 178.001 -0.635 18824 9671 1 16 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.361 -0.384 18824 9672 1 16 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.338 -1.352 18824 9673 1 16 . 1 1 83 83 LEU H H 83 8.171 8.171 8.739 -0.568 18824 9674 1 16 . 1 1 84 84 ASN N N 84 114.897 114.897 113.224 1.673 18824 9675 1 16 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.697 -0.079 18824 9676 1 16 . 1 1 84 84 ASN C C 84 173.651 173.651 173.998 -0.347 18824 9677 1 16 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.139 1.055 18824 9678 1 16 . 1 1 84 84 ASN CB C 84 39.903 39.903 38.381 1.522 18824 9679 1 16 . 1 1 84 84 ASN H H 84 8.565 8.565 8.362 0.203 18824 9680 1 16 . 1 1 85 85 ALA N N 85 124.026 124.026 120.382 3.644 18824 9681 1 16 . 1 1 85 85 ALA HA H 85 5.071 5.071 4.870 0.201 18824 9682 1 16 . 1 1 85 85 ALA C C 85 175.751 175.751 174.988 0.763 18824 9683 1 16 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.696 0.414 18824 9684 1 16 . 1 1 85 85 ALA CB C 85 21.156 21.156 21.870 -0.714 18824 9685 1 16 . 1 1 85 85 ALA H H 85 7.808 7.808 7.498 0.310 18824 9686 1 16 . 1 1 86 86 VAL N N 86 116.130 116.130 119.914 -3.784 18824 9687 1 16 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.410 0.182 18824 9688 1 16 . 1 1 86 86 VAL C C 86 171.876 171.876 174.419 -2.543 18824 9689 1 16 . 1 1 86 86 VAL CA C 86 59.748 59.748 60.163 -0.415 18824 9690 1 16 . 1 1 86 86 VAL CB C 86 34.893 34.893 36.255 -1.362 18824 9691 1 16 . 1 1 86 86 VAL H H 86 8.432 8.432 8.195 0.237 18824 9692 1 16 . 1 1 87 87 ARG N N 87 124.913 124.913 126.595 -1.682 18824 9693 1 16 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.577 0.421 18824 9694 1 16 . 1 1 87 87 ARG C C 87 175.316 175.316 175.035 0.281 18824 9695 1 16 . 1 1 87 87 ARG CA C 87 53.991 53.991 55.452 -1.461 18824 9696 1 16 . 1 1 87 87 ARG CB C 87 31.805 31.805 30.704 1.101 18824 9697 1 16 . 1 1 87 87 ARG H H 87 8.255 8.255 8.616 -0.361 18824 9698 1 16 . 1 1 88 88 LEU N N 88 125.141 125.141 125.378 -0.237 18824 9699 1 16 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.910 0.040 18824 9700 1 16 . 1 1 88 88 LEU C C 88 173.836 173.836 174.901 -1.065 18824 9701 1 16 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.486 -1.105 18824 9702 1 16 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.587 -0.635 18824 9703 1 16 . 1 1 88 88 LEU H H 88 9.041 9.041 8.989 0.052 18824 9704 1 16 . 1 1 89 89 LEU N N 89 126.927 126.927 127.951 -1.024 18824 9705 1 16 . 1 1 89 89 LEU HA H 89 5.177 5.177 5.032 0.145 18824 9706 1 16 . 1 1 89 89 LEU C C 89 175.726 175.726 174.813 0.913 18824 9707 1 16 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.624 0.085 18824 9708 1 16 . 1 1 89 89 LEU CB C 89 43.514 43.514 44.300 -0.786 18824 9709 1 16 . 1 1 89 89 LEU H H 89 8.484 8.484 8.883 -0.399 18824 9710 1 16 . 1 1 90 90 VAL N N 90 119.770 119.770 123.279 -3.509 18824 9711 1 16 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.297 0.141 18824 9712 1 16 . 1 1 90 90 VAL C C 90 174.157 174.157 173.316 0.841 18824 9713 1 16 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.762 -0.791 18824 9714 1 16 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.397 1.459 18824 9715 1 16 . 1 1 90 90 VAL H H 90 9.001 9.001 7.861 1.140 18824 9716 1 16 . 1 1 91 91 VAL N N 91 112.698 112.698 120.632 -7.934 18824 9717 1 16 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.506 0.203 18824 9718 1 16 . 1 1 91 91 VAL C C 91 173.993 173.993 173.986 0.007 18824 9719 1 16 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.541 -0.558 18824 9720 1 16 . 1 1 91 91 VAL CB C 91 35.466 35.466 36.559 -1.093 18824 9721 1 16 . 1 1 91 91 VAL H H 91 8.011 8.011 7.972 0.039 18824 9722 1 16 . 1 1 92 92 ASP N N 92 127.066 127.066 128.946 -1.880 18824 9723 1 16 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.932 0.074 18824 9724 1 16 . 1 1 92 92 ASP CA C 92 53.078 53.078 53.336 -0.258 18824 9725 1 16 . 1 1 92 92 ASP CB C 92 39.764 39.764 40.565 -0.801 18824 9726 1 16 . 1 1 92 92 ASP H H 92 7.878 7.878 8.787 -0.909 18824 9727 1 16 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.233 0.170 18824 9728 1 16 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.319 0.546 18824 9729 1 16 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.698 0.523 18824 9730 1 16 . 1 1 94 94 GLU N N 94 119.504 119.504 116.450 3.054 18824 9731 1 16 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.061 -0.011 18824 9732 1 16 . 1 1 94 94 GLU C C 94 179.182 179.182 178.653 0.529 18824 9733 1 16 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.436 -0.218 18824 9734 1 16 . 1 1 94 94 GLU CB C 94 28.950 28.950 28.460 0.490 18824 9735 1 16 . 1 1 94 94 GLU H H 94 8.156 8.156 8.853 -0.697 18824 9736 1 16 . 1 1 95 95 THR N N 95 120.651 120.651 116.884 3.767 18824 9737 1 16 . 1 1 95 95 THR HA H 95 3.751 3.751 4.109 -0.358 18824 9738 1 16 . 1 1 95 95 THR C C 95 175.888 175.888 176.099 -0.211 18824 9739 1 16 . 1 1 95 95 THR CA C 95 65.764 65.764 66.604 -0.840 18824 9740 1 16 . 1 1 95 95 THR CB C 95 67.338 67.338 68.611 -1.273 18824 9741 1 16 . 1 1 95 95 THR H H 95 8.315 8.315 7.574 0.741 18824 9742 1 16 . 1 1 96 96 ASP N N 96 120.554 120.554 121.523 -0.969 18824 9743 1 16 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.291 -0.058 18824 9744 1 16 . 1 1 96 96 ASP C C 96 178.275 178.275 178.060 0.215 18824 9745 1 16 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.575 -1.353 18824 9746 1 16 . 1 1 96 96 ASP CB C 96 41.038 41.038 41.052 -0.014 18824 9747 1 16 . 1 1 96 96 ASP H H 96 8.381 8.381 8.538 -0.157 18824 9748 1 16 . 1 1 97 97 GLU N N 97 117.457 117.457 119.156 -1.699 18824 9749 1 16 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.958 -0.093 18824 9750 1 16 . 1 1 97 97 GLU C C 97 178.790 178.790 178.884 -0.094 18824 9751 1 16 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.779 -0.570 18824 9752 1 16 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.470 -0.424 18824 9753 1 16 . 1 1 97 97 GLU H H 97 7.727 7.727 8.002 -0.275 18824 9754 1 16 . 1 1 98 98 GLN N N 98 118.704 118.704 118.396 0.308 18824 9755 1 16 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.159 -0.185 18824 9756 1 16 . 1 1 98 98 GLN C C 98 178.756 178.756 178.812 -0.056 18824 9757 1 16 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.284 -0.044 18824 9758 1 16 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.148 -0.216 18824 9759 1 16 . 1 1 98 98 GLN H H 98 7.733 7.733 7.659 0.074 18824 9760 1 16 . 1 1 99 99 LEU N N 99 119.242 119.242 121.631 -2.389 18824 9761 1 16 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.796 0.118 18824 9762 1 16 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.507 0.212 18824 9763 1 16 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.530 -1.647 18824 9764 1 16 . 1 1 99 99 LEU H H 99 8.494 8.494 8.254 0.240 18824 9765 1 16 . 1 1 100 100 GLN N N 100 118.689 118.689 117.189 1.500 18824 9766 1 16 . 1 1 100 100 GLN HA H 100 3.964 3.964 3.949 0.015 18824 9767 1 16 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.846 -0.212 18824 9768 1 16 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.420 -0.702 18824 9769 1 16 . 1 1 100 100 GLN H H 100 8.202 8.202 8.423 -0.221 18824 9770 1 16 . 1 1 101 101 LYS N N 101 120.369 120.369 118.449 1.920 18824 9771 1 16 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.113 -0.179 18824 9772 1 16 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.276 0.466 18824 9773 1 16 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.334 -0.473 18824 9774 1 16 . 1 1 101 101 LYS H H 101 7.783 7.783 7.556 0.227 18824 9775 1 16 . 1 1 102 102 LEU N N 102 117.862 117.862 117.739 0.123 18824 9776 1 16 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.410 -0.253 18824 9777 1 16 . 1 1 102 102 LEU C C 102 177.526 177.526 177.415 0.111 18824 9778 1 16 . 1 1 102 102 LEU CA C 102 55.174 55.174 55.260 -0.086 18824 9779 1 16 . 1 1 102 102 LEU CB C 102 42.966 42.966 43.316 -0.351 18824 9780 1 16 . 1 1 102 102 LEU H H 102 7.512 7.512 7.348 0.164 18824 9781 1 16 . 1 1 103 103 GLY N N 103 108.863 108.863 107.796 1.067 18824 9782 1 16 . 1 1 103 103 GLY C C 103 174.353 174.353 172.849 1.504 18824 9783 1 16 . 1 1 103 103 GLY CA C 103 45.565 45.565 44.657 0.908 18824 9784 1 16 . 1 1 103 103 GLY H H 103 7.851 7.851 8.182 -0.331 18824 9785 1 16 . 1 1 104 104 VAL N N 104 120.506 120.506 121.694 -1.188 18824 9786 1 16 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.309 -0.457 18824 9787 1 16 . 1 1 104 104 VAL CA C 104 61.751 61.751 62.083 -0.332 18824 9788 1 16 . 1 1 104 104 VAL CB C 104 32.824 32.824 31.341 1.483 18824 9789 1 16 . 1 1 104 104 VAL H H 104 7.726 7.726 8.493 -0.767 18824 9790 1 16 . 1 1 105 105 GLN N N 105 124.776 124.776 128.158 -3.382 18824 9791 1 16 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.497 -0.390 18824 9792 1 16 . 1 1 105 105 GLN CA C 105 55.170 55.170 54.873 0.296 18824 9793 1 16 . 1 1 105 105 GLN CB C 105 28.783 28.783 29.127 -0.344 18824 9794 1 16 . 1 1 105 105 GLN H H 105 8.245 8.245 8.280 -0.035 18824 9795 1 16 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.776 -0.315 18824 9796 1 16 . 1 1 106 106 VAL C C 106 179.182 179.182 176.663 2.519 18824 9797 1 16 . 1 1 106 106 VAL CA C 106 64.553 64.553 64.242 0.311 18824 9798 1 16 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.506 -1.197 18824 9799 1 16 . 1 1 106 106 VAL H H 106 8.504 8.504 8.056 0.448 18824 9800 1 16 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.013 0.227 18824 9801 1 16 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.355 -0.736 18824 9802 1 16 . 1 1 108 108 GLU CA C 108 59.746 59.746 56.955 2.791 18824 9803 1 16 . 1 1 108 108 GLU CB C 108 29.234 29.234 31.223 -1.989 18824 9804 1 16 . 1 1 108 108 GLU H H 108 8.690 8.690 7.850 0.840 18824 9805 1 16 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.408 -0.366 18824 9806 1 16 . 1 1 110 110 LEU CA C 110 56.360 56.360 55.540 0.820 18824 9807 1 16 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.169 0.951 18824 9808 1 16 . 1 1 111 111 LEU N N 111 116.974 116.974 117.248 -0.274 18824 9809 1 16 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.089 -0.006 18824 9810 1 16 . 1 1 111 111 LEU C C 111 177.598 177.598 178.981 -1.383 18824 9811 1 16 . 1 1 111 111 LEU CA C 111 55.628 55.628 56.424 -0.796 18824 9812 1 16 . 1 1 111 111 LEU CB C 111 40.977 40.977 42.260 -1.282 18824 9813 1 16 . 1 1 111 111 LEU H H 111 7.791 7.791 7.520 0.271 18824 9814 1 16 . 1 1 112 112 ARG N N 112 119.231 119.231 117.397 1.834 18824 9815 1 16 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.362 -0.210 18824 9816 1 16 . 1 1 112 112 ARG C C 112 176.246 176.246 176.416 -0.170 18824 9817 1 16 . 1 1 112 112 ARG CA C 112 56.180 56.180 56.644 -0.464 18824 9818 1 16 . 1 1 112 112 ARG CB C 112 30.340 30.340 31.404 -1.064 18824 9819 1 16 . 1 1 112 112 ARG H H 112 7.528 7.528 7.859 -0.331 18824 9820 1 16 . 1 1 113 113 ALA N N 113 123.896 123.896 121.824 2.072 18824 9821 1 16 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.536 -0.397 18824 9822 1 16 . 1 1 113 113 ALA C C 113 177.783 177.783 174.685 3.098 18824 9823 1 16 . 1 1 113 113 ALA CA C 113 52.649 52.649 51.862 0.787 18824 9824 1 16 . 1 1 113 113 ALA CB C 113 18.618 18.618 21.318 -2.700 18824 9825 1 16 . 1 1 113 113 ALA H H 113 7.954 7.954 7.486 0.468 18824 9826 1 16 . 1 1 114 114 GLN N N 114 118.555 118.555 120.765 -2.210 18824 9827 1 16 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.397 -0.238 18824 9828 1 16 . 1 1 114 114 GLN C C 114 175.815 175.815 174.860 0.955 18824 9829 1 16 . 1 1 114 114 GLN CA C 114 55.551 55.551 54.450 1.101 18824 9830 1 16 . 1 1 114 114 GLN CB C 114 29.023 29.023 31.079 -2.056 18824 9831 1 16 . 1 1 114 114 GLN H H 114 8.121 8.121 8.506 -0.385 18824 9832 1 16 . 1 1 115 115 GLU N N 115 121.589 121.589 122.856 -1.267 18824 9833 1 16 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.249 -0.119 18824 9834 1 16 . 1 1 115 115 GLU C C 115 175.637 175.637 176.667 -1.030 18824 9835 1 16 . 1 1 115 115 GLU CA C 115 55.779 55.779 56.812 -1.033 18824 9836 1 16 . 1 1 115 115 GLU CB C 115 30.038 30.038 29.778 0.260 18824 9837 1 16 . 1 1 115 115 GLU H H 115 8.164 8.164 8.545 -0.381 18824 9838 1 16 . 1 1 116 116 ALA N N 116 126.435 126.435 127.248 -0.813 18824 9839 1 16 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.173 0.286 18824 9840 1 16 . 1 1 116 116 ALA CA C 116 50.094 50.094 51.678 -1.584 18824 9841 1 16 . 1 1 116 116 ALA CB C 116 17.622 17.622 18.041 -0.419 18824 9842 1 16 . 1 1 116 116 ALA H H 116 8.266 8.266 8.197 0.069 18824 9843 1 16 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.358 -0.054 18824 9844 1 16 . 1 1 117 117 PRO C C 117 177.580 177.580 177.862 -0.282 18824 9845 1 16 . 1 1 117 117 PRO CA C 117 62.789 62.789 62.798 -0.009 18824 9846 1 16 . 1 1 117 117 PRO CB C 117 31.812 31.812 32.276 -0.465 18824 9847 1 16 . 1 1 118 118 GLY N N 118 109.304 109.304 114.089 -4.785 18824 9848 1 16 . 1 1 118 118 GLY C C 118 173.872 173.872 173.931 -0.059 18824 9849 1 16 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.136 -0.122 18824 9850 1 16 . 1 1 118 118 GLY H H 118 8.425 8.425 8.815 -0.390 18824 9851 1 16 . 1 1 119 119 GLN N N 119 120.070 120.070 120.454 -0.384 18824 9852 1 16 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.552 -0.338 18824 9853 1 16 . 1 1 119 119 GLN C C 119 174.692 174.692 175.722 -1.030 18824 9854 1 16 . 1 1 119 119 GLN CA C 119 55.442 55.442 55.901 -0.459 18824 9855 1 16 . 1 1 119 119 GLN CB C 119 29.308 29.308 30.748 -1.440 18824 9856 1 16 . 1 1 119 119 GLN H H 119 8.081 8.081 7.969 0.112 18824 9857 1 17 . 1 1 5 5 ILE N N 5 119.691 119.691 123.501 -3.810 18824 9858 1 17 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.368 -0.310 18824 9859 1 17 . 1 1 5 5 ILE C C 5 175.649 175.649 174.909 0.740 18824 9860 1 17 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.211 -0.615 18824 9861 1 17 . 1 1 5 5 ILE CB C 5 38.674 38.674 39.775 -1.101 18824 9862 1 17 . 1 1 5 5 ILE H H 5 8.370 8.370 8.153 0.217 18824 9863 1 17 . 1 1 6 6 ASP N N 6 126.564 126.564 128.304 -1.740 18824 9864 1 17 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.900 -0.210 18824 9865 1 17 . 1 1 6 6 ASP CA C 6 52.261 52.261 52.127 0.134 18824 9866 1 17 . 1 1 6 6 ASP CB C 6 40.555 40.555 42.554 -1.999 18824 9867 1 17 . 1 1 6 6 ASP H H 6 8.373 8.373 8.533 -0.160 18824 9868 1 17 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.210 -0.050 18824 9869 1 17 . 1 1 7 7 PRO C C 7 176.417 176.417 175.999 0.418 18824 9870 1 17 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.767 -0.716 18824 9871 1 17 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.311 -0.631 18824 9872 1 17 . 1 1 8 8 PHE N N 8 117.858 117.858 115.176 2.682 18824 9873 1 17 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.644 -0.100 18824 9874 1 17 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.830 -0.577 18824 9875 1 17 . 1 1 8 8 PHE CB C 8 38.444 38.444 41.843 -3.400 18824 9876 1 17 . 1 1 8 8 PHE H H 8 7.974 7.974 7.553 0.421 18824 9877 1 17 . 1 1 9 9 THR N N 9 112.459 112.459 118.937 -6.478 18824 9878 1 17 . 1 1 9 9 THR HA H 9 4.338 4.338 4.441 -0.103 18824 9879 1 17 . 1 1 9 9 THR C C 9 175.888 175.888 173.214 2.674 18824 9880 1 17 . 1 1 9 9 THR CA C 9 60.827 60.827 62.560 -1.734 18824 9881 1 17 . 1 1 9 9 THR CB C 9 69.387 69.387 70.057 -0.670 18824 9882 1 17 . 1 1 9 9 THR H H 9 7.927 7.927 8.695 -0.768 18824 9883 1 17 . 1 1 10 10 MET N N 10 121.338 121.338 123.895 -2.557 18824 9884 1 17 . 1 1 10 10 MET HA H 10 4.310 4.310 4.239 0.071 18824 9885 1 17 . 1 1 10 10 MET C C 10 174.386 174.386 174.469 -0.083 18824 9886 1 17 . 1 1 10 10 MET CA C 10 52.415 52.415 56.047 -3.632 18824 9887 1 17 . 1 1 10 10 MET H H 10 7.648 7.648 8.624 -0.976 18824 9888 1 17 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.917 -0.227 18824 9889 1 17 . 1 1 11 11 LEU CA C 11 52.606 52.606 52.576 0.030 18824 9890 1 17 . 1 1 11 11 LEU CB C 11 44.079 44.079 41.552 2.527 18824 9891 1 17 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.592 0.025 18824 9892 1 17 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.762 -0.497 18824 9893 1 17 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.770 -0.944 18824 9894 1 17 . 1 1 13 13 ARG N N 13 118.005 118.005 121.180 -3.175 18824 9895 1 17 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.627 -0.243 18824 9896 1 17 . 1 1 13 13 ARG C C 13 173.498 173.498 175.584 -2.086 18824 9897 1 17 . 1 1 13 13 ARG CA C 13 54.675 54.675 53.334 1.341 18824 9898 1 17 . 1 1 13 13 ARG CB C 13 32.565 32.565 32.514 0.051 18824 9899 1 17 . 1 1 13 13 ARG H H 13 8.484 8.484 8.244 0.240 18824 9900 1 17 . 1 1 14 14 LEU N N 14 124.897 124.897 126.180 -1.283 18824 9901 1 17 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.453 0.415 18824 9902 1 17 . 1 1 14 14 LEU C C 14 176.144 176.144 176.201 -0.057 18824 9903 1 17 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.809 -1.762 18824 9904 1 17 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.096 0.861 18824 9905 1 17 . 1 1 14 14 LEU H H 14 8.520 8.520 8.594 -0.074 18824 9906 1 17 . 1 1 15 15 CYS N N 15 127.167 127.167 127.579 -0.412 18824 9907 1 17 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.559 0.032 18824 9908 1 17 . 1 1 15 15 CYS C C 15 173.408 173.408 173.629 -0.221 18824 9909 1 17 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.129 -0.675 18824 9910 1 17 . 1 1 15 15 CYS CB C 15 29.325 29.325 27.471 1.854 18824 9911 1 17 . 1 1 15 15 CYS H H 15 9.247 9.247 9.152 0.095 18824 9912 1 17 . 1 1 16 16 CYS N N 16 125.133 125.133 127.017 -1.884 18824 9913 1 17 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.318 -0.582 18824 9914 1 17 . 1 1 16 16 CYS C C 16 172.784 172.784 174.323 -1.539 18824 9915 1 17 . 1 1 16 16 CYS CA C 16 58.040 58.040 57.332 0.708 18824 9916 1 17 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.323 -0.081 18824 9917 1 17 . 1 1 16 16 CYS H H 16 9.049 9.049 8.934 0.115 18824 9918 1 17 . 1 1 17 17 LEU N N 17 124.624 124.624 129.250 -4.626 18824 9919 1 17 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.687 -0.035 18824 9920 1 17 . 1 1 17 17 LEU C C 17 175.672 175.672 175.802 -0.130 18824 9921 1 17 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.838 1.386 18824 9922 1 17 . 1 1 17 17 LEU CB C 17 44.042 44.042 43.894 0.148 18824 9923 1 17 . 1 1 17 17 LEU H H 17 8.750 8.750 9.010 -0.260 18824 9924 1 17 . 1 1 18 18 GLU N N 18 121.610 121.610 121.845 -0.235 18824 9925 1 17 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.605 0.155 18824 9926 1 17 . 1 1 18 18 GLU C C 18 175.548 175.548 175.847 -0.299 18824 9927 1 17 . 1 1 18 18 GLU CA C 18 54.861 54.861 55.187 -0.326 18824 9928 1 17 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.335 -0.023 18824 9929 1 17 . 1 1 18 18 GLU H H 18 8.304 8.304 8.736 -0.432 18824 9930 1 17 . 1 1 19 19 LYS N N 19 123.922 123.922 129.704 -5.782 18824 9931 1 17 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.996 -0.886 18824 9932 1 17 . 1 1 19 19 LYS C C 19 176.635 176.635 176.474 0.161 18824 9933 1 17 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.782 1.706 18824 9934 1 17 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.429 -0.104 18824 9935 1 17 . 1 1 19 19 LYS H H 19 8.131 8.131 8.664 -0.533 18824 9936 1 17 . 1 1 20 20 GLY N N 20 112.282 112.282 114.543 -2.261 18824 9937 1 17 . 1 1 20 20 GLY CA C 20 44.045 44.045 43.924 0.121 18824 9938 1 17 . 1 1 20 20 GLY H H 20 6.955 6.955 8.782 -1.827 18824 9939 1 17 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.310 -0.133 18824 9940 1 17 . 1 1 21 21 PRO C C 21 177.081 177.081 176.297 0.784 18824 9941 1 17 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.876 -0.554 18824 9942 1 17 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.699 -0.118 18824 9943 1 17 . 1 1 22 22 ASN N N 22 114.637 114.637 116.055 -1.418 18824 9944 1 17 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.818 0.101 18824 9945 1 17 . 1 1 22 22 ASN C C 22 175.102 175.102 175.550 -0.448 18824 9946 1 17 . 1 1 22 22 ASN CA C 22 51.618 51.618 52.180 -0.562 18824 9947 1 17 . 1 1 22 22 ASN CB C 22 38.930 38.930 38.081 0.849 18824 9948 1 17 . 1 1 22 22 ASN H H 22 8.462 8.462 7.830 0.632 18824 9949 1 17 . 1 1 23 23 GLY N N 23 107.193 107.193 108.541 -1.348 18824 9950 1 17 . 1 1 23 23 GLY C C 23 174.932 174.932 173.699 1.233 18824 9951 1 17 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.889 -1.463 18824 9952 1 17 . 1 1 23 23 GLY H H 23 7.499 7.499 7.729 -0.230 18824 9953 1 17 . 1 1 24 24 TYR N N 24 119.910 119.910 122.495 -2.585 18824 9954 1 17 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.924 -0.615 18824 9955 1 17 . 1 1 24 24 TYR C C 24 177.188 177.188 175.912 1.276 18824 9956 1 17 . 1 1 24 24 TYR CA C 24 60.745 60.745 56.964 3.781 18824 9957 1 17 . 1 1 24 24 TYR CB C 24 40.447 40.447 40.891 -0.444 18824 9958 1 17 . 1 1 24 24 TYR H H 24 8.894 8.894 8.022 0.872 18824 9959 1 17 . 1 1 25 25 GLY N N 25 104.016 104.016 106.134 -2.118 18824 9960 1 17 . 1 1 25 25 GLY C C 25 173.020 173.020 172.831 0.189 18824 9961 1 17 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.243 0.278 18824 9962 1 17 . 1 1 25 25 GLY H H 25 8.394 8.394 8.282 0.112 18824 9963 1 17 . 1 1 26 26 PHE N N 26 110.891 110.891 117.369 -6.478 18824 9964 1 17 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.816 -0.177 18824 9965 1 17 . 1 1 26 26 PHE C C 26 172.250 172.250 173.782 -1.532 18824 9966 1 17 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.063 0.042 18824 9967 1 17 . 1 1 26 26 PHE CB C 26 41.690 41.690 42.019 -0.329 18824 9968 1 17 . 1 1 26 26 PHE H H 26 6.711 6.711 7.431 -0.720 18824 9969 1 17 . 1 1 27 27 HIS N N 27 118.261 118.261 119.631 -1.370 18824 9970 1 17 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.872 -0.088 18824 9971 1 17 . 1 1 27 27 HIS C C 27 174.659 174.659 173.567 1.092 18824 9972 1 17 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.219 -0.662 18824 9973 1 17 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.400 -0.555 18824 9974 1 17 . 1 1 27 27 HIS H H 27 7.964 7.964 9.225 -1.261 18824 9975 1 17 . 1 1 28 28 LEU N N 28 125.694 125.694 125.622 0.072 18824 9976 1 17 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.435 0.050 18824 9977 1 17 . 1 1 28 28 LEU C C 28 176.849 176.849 175.593 1.256 18824 9978 1 17 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.587 0.076 18824 9979 1 17 . 1 1 28 28 LEU CB C 28 45.031 45.031 45.404 -0.373 18824 9980 1 17 . 1 1 28 28 LEU H H 28 9.554 9.554 8.788 0.766 18824 9981 1 17 . 1 1 29 29 HIS N N 29 119.263 119.263 121.592 -2.329 18824 9982 1 17 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.031 -0.270 18824 9983 1 17 . 1 1 29 29 HIS C C 29 173.447 173.447 174.760 -1.313 18824 9984 1 17 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.843 1.948 18824 9985 1 17 . 1 1 29 29 HIS CB C 29 32.836 32.836 32.667 0.169 18824 9986 1 17 . 1 1 29 29 HIS H H 29 9.625 9.625 9.553 0.072 18824 9987 1 17 . 1 1 30 30 GLY N N 30 110.254 110.254 109.421 0.833 18824 9988 1 17 . 1 1 30 30 GLY C C 30 172.917 172.917 173.434 -0.517 18824 9989 1 17 . 1 1 30 30 GLY CA C 30 43.983 43.983 43.850 0.133 18824 9990 1 17 . 1 1 30 30 GLY H H 30 8.403 8.403 8.952 -0.549 18824 9991 1 17 . 1 1 31 31 GLU N N 31 119.753 119.753 116.857 2.896 18824 9992 1 17 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.030 0.253 18824 9993 1 17 . 1 1 31 31 GLU C C 31 175.939 175.939 175.413 0.526 18824 9994 1 17 . 1 1 31 31 GLU CA C 31 54.431 54.431 57.670 -3.239 18824 9995 1 17 . 1 1 31 31 GLU CB C 31 32.343 32.343 29.554 2.789 18824 9996 1 17 . 1 1 31 31 GLU H H 31 9.060 9.060 8.256 0.804 18824 9997 1 17 . 1 1 32 32 LYS N N 32 124.046 124.046 122.567 1.479 18824 9998 1 17 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.432 -0.518 18824 9999 1 17 . 1 1 32 32 LYS C C 32 177.776 177.776 176.793 0.983 18824 10000 1 17 . 1 1 32 32 LYS CA C 32 57.714 57.714 55.930 1.784 18824 10001 1 17 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.210 -0.379 18824 10002 1 17 . 1 1 32 32 LYS H H 32 8.424 8.424 8.572 -0.148 18824 10003 1 17 . 1 1 33 33 GLY N N 33 113.177 113.177 113.191 -0.014 18824 10004 1 17 . 1 1 33 33 GLY C C 33 173.408 173.408 174.224 -0.816 18824 10005 1 17 . 1 1 33 33 GLY CA C 33 45.033 45.033 45.236 -0.203 18824 10006 1 17 . 1 1 33 33 GLY H H 33 8.856 8.856 8.780 0.076 18824 10007 1 17 . 1 1 34 34 LYS N N 34 118.719 118.719 119.233 -0.514 18824 10008 1 17 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.711 -0.071 18824 10009 1 17 . 1 1 34 34 LYS C C 34 176.528 176.528 176.201 0.327 18824 10010 1 17 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.549 -0.992 18824 10011 1 17 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.687 1.176 18824 10012 1 17 . 1 1 34 34 LYS H H 34 7.790 7.790 7.630 0.160 18824 10013 1 17 . 1 1 35 35 LEU N N 35 124.084 124.084 116.630 7.454 18824 10014 1 17 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.791 -0.306 18824 10015 1 17 . 1 1 35 35 LEU C C 35 177.646 177.646 175.118 2.528 18824 10016 1 17 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.120 0.542 18824 10017 1 17 . 1 1 35 35 LEU CB C 35 42.676 42.676 41.999 0.677 18824 10018 1 17 . 1 1 35 35 LEU H H 35 8.759 8.759 8.677 0.082 18824 10019 1 17 . 1 1 36 36 GLY N N 36 110.962 110.962 106.203 4.759 18824 10020 1 17 . 1 1 36 36 GLY C C 36 173.070 173.070 172.384 0.686 18824 10021 1 17 . 1 1 36 36 GLY CA C 36 44.526 44.526 44.621 -0.095 18824 10022 1 17 . 1 1 36 36 GLY H H 36 8.533 8.533 7.617 0.916 18824 10023 1 17 . 1 1 37 37 GLN N N 37 117.136 117.136 119.832 -2.696 18824 10024 1 17 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.728 -0.239 18824 10025 1 17 . 1 1 37 37 GLN C C 37 173.925 173.925 174.641 -0.716 18824 10026 1 17 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.722 0.084 18824 10027 1 17 . 1 1 37 37 GLN CB C 37 31.843 31.843 30.799 1.044 18824 10028 1 17 . 1 1 37 37 GLN H H 37 8.885 8.885 8.371 0.514 18824 10029 1 17 . 1 1 38 38 TYR N N 38 119.053 119.053 119.912 -0.859 18824 10030 1 17 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.136 0.059 18824 10031 1 17 . 1 1 38 38 TYR C C 38 176.110 176.110 175.343 0.767 18824 10032 1 17 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.002 -0.772 18824 10033 1 17 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.283 -0.301 18824 10034 1 17 . 1 1 38 38 TYR H H 38 8.719 8.719 9.055 -0.336 18824 10035 1 17 . 1 1 39 39 ILE N N 39 120.624 120.624 122.641 -2.017 18824 10036 1 17 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.468 -0.218 18824 10037 1 17 . 1 1 39 39 ILE C C 39 175.797 175.797 177.000 -1.203 18824 10038 1 17 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.206 -1.976 18824 10039 1 17 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.573 -1.179 18824 10040 1 17 . 1 1 39 39 ILE H H 39 9.208 9.208 8.896 0.312 18824 10041 1 17 . 1 1 40 40 ARG N N 40 130.372 130.372 128.857 1.515 18824 10042 1 17 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.438 -0.351 18824 10043 1 17 . 1 1 40 40 ARG C C 40 174.846 174.846 175.745 -0.899 18824 10044 1 17 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.879 -0.269 18824 10045 1 17 . 1 1 40 40 ARG CB C 40 31.315 31.315 31.956 -0.641 18824 10046 1 17 . 1 1 40 40 ARG H H 40 9.240 9.240 9.456 -0.216 18824 10047 1 17 . 1 1 41 41 LEU N N 41 116.642 116.642 119.012 -2.370 18824 10048 1 17 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.606 -0.248 18824 10049 1 17 . 1 1 41 41 LEU C C 41 173.658 173.658 174.517 -0.859 18824 10050 1 17 . 1 1 41 41 LEU CA C 41 54.685 54.685 55.336 -0.651 18824 10051 1 17 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.886 -0.671 18824 10052 1 17 . 1 1 41 41 LEU H H 41 7.130 7.130 7.667 -0.537 18824 10053 1 17 . 1 1 42 42 VAL N N 42 125.934 125.934 122.414 3.520 18824 10054 1 17 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.796 -0.441 18824 10055 1 17 . 1 1 42 42 VAL C C 42 175.548 175.548 175.654 -0.106 18824 10056 1 17 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.446 0.807 18824 10057 1 17 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.492 -0.269 18824 10058 1 17 . 1 1 42 42 VAL H H 42 8.731 8.731 8.200 0.531 18824 10059 1 17 . 1 1 43 43 GLU N N 43 128.285 128.285 128.700 -0.415 18824 10060 1 17 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.555 -0.234 18824 10061 1 17 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.465 0.195 18824 10062 1 17 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.863 -1.134 18824 10063 1 17 . 1 1 43 43 GLU H H 43 9.102 9.102 9.225 -0.123 18824 10064 1 17 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.586 -0.146 18824 10065 1 17 . 1 1 44 44 PRO C C 44 178.222 178.222 177.516 0.706 18824 10066 1 17 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.230 0.068 18824 10067 1 17 . 1 1 44 44 PRO CB C 44 31.388 31.388 31.289 0.099 18824 10068 1 17 . 1 1 45 45 GLY N N 45 113.166 113.166 114.905 -1.739 18824 10069 1 17 . 1 1 45 45 GLY C C 45 173.515 173.515 174.177 -0.662 18824 10070 1 17 . 1 1 45 45 GLY CA C 45 45.525 45.525 45.091 0.434 18824 10071 1 17 . 1 1 45 45 GLY H H 45 9.416 9.416 9.616 -0.200 18824 10072 1 17 . 1 1 46 46 SER N N 46 114.219 114.219 116.281 -2.062 18824 10073 1 17 . 1 1 46 46 SER HA H 46 4.670 4.670 5.106 -0.436 18824 10074 1 17 . 1 1 46 46 SER CA C 46 57.103 57.103 55.754 1.349 18824 10075 1 17 . 1 1 46 46 SER CB C 46 64.458 64.458 65.130 -0.672 18824 10076 1 17 . 1 1 46 46 SER H H 46 7.422 7.422 7.614 -0.192 18824 10077 1 17 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.349 -0.062 18824 10078 1 17 . 1 1 47 47 PRO C C 47 179.487 179.487 177.437 2.050 18824 10079 1 17 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.990 0.346 18824 10080 1 17 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.653 0.686 18824 10081 1 17 . 1 1 48 48 ALA N N 48 116.941 116.941 121.263 -4.322 18824 10082 1 17 . 1 1 48 48 ALA HA H 48 3.808 3.808 4.071 -0.263 18824 10083 1 17 . 1 1 48 48 ALA C C 48 177.063 177.063 179.574 -2.511 18824 10084 1 17 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.402 -0.292 18824 10085 1 17 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.256 1.918 18824 10086 1 17 . 1 1 48 48 ALA H H 48 7.855 7.855 7.885 -0.030 18824 10087 1 17 . 1 1 49 49 GLU N N 49 120.064 120.064 117.528 2.536 18824 10088 1 17 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.077 -0.223 18824 10089 1 17 . 1 1 49 49 GLU C C 49 181.038 181.038 179.064 1.974 18824 10090 1 17 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.789 0.392 18824 10091 1 17 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.611 0.059 18824 10092 1 17 . 1 1 49 49 GLU H H 49 7.732 7.732 7.827 -0.095 18824 10093 1 17 . 1 1 50 50 LYS N N 50 120.570 120.570 119.364 1.206 18824 10094 1 17 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.144 -0.220 18824 10095 1 17 . 1 1 50 50 LYS C C 50 177.580 177.580 178.461 -0.881 18824 10096 1 17 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.587 0.194 18824 10097 1 17 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.410 -0.605 18824 10098 1 17 . 1 1 50 50 LYS H H 50 8.156 8.156 7.352 0.804 18824 10099 1 17 . 1 1 51 51 ALA N N 51 117.482 117.482 118.805 -1.323 18824 10100 1 17 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.289 0.019 18824 10101 1 17 . 1 1 51 51 ALA C C 51 177.509 177.509 177.591 -0.082 18824 10102 1 17 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.180 -0.062 18824 10103 1 17 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.558 0.637 18824 10104 1 17 . 1 1 51 51 ALA H H 51 7.730 7.730 7.776 -0.046 18824 10105 1 17 . 1 1 52 52 GLY N N 52 103.549 103.549 106.646 -3.097 18824 10106 1 17 . 1 1 52 52 GLY C C 52 174.888 174.888 174.316 0.572 18824 10107 1 17 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.694 0.329 18824 10108 1 17 . 1 1 52 52 GLY H H 52 7.513 7.513 7.510 0.003 18824 10109 1 17 . 1 1 53 53 LEU N N 53 120.806 120.806 121.446 -0.640 18824 10110 1 17 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.251 -0.395 18824 10111 1 17 . 1 1 53 53 LEU C C 53 174.692 174.692 175.481 -0.789 18824 10112 1 17 . 1 1 53 53 LEU CA C 53 55.190 55.190 54.593 0.597 18824 10113 1 17 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.404 0.590 18824 10114 1 17 . 1 1 53 53 LEU H H 53 7.420 7.420 8.327 -0.907 18824 10115 1 17 . 1 1 54 54 LEU N N 54 122.726 122.726 125.717 -2.991 18824 10116 1 17 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.787 -0.282 18824 10117 1 17 . 1 1 54 54 LEU C C 54 176.350 176.350 175.123 1.227 18824 10118 1 17 . 1 1 54 54 LEU CA C 54 52.981 52.981 52.993 -0.012 18824 10119 1 17 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.595 -1.031 18824 10120 1 17 . 1 1 54 54 LEU H H 54 8.546 8.546 8.553 -0.007 18824 10121 1 17 . 1 1 55 55 ALA N N 55 122.735 122.735 128.359 -5.624 18824 10122 1 17 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.372 -0.641 18824 10123 1 17 . 1 1 55 55 ALA C C 55 179.077 179.077 177.211 1.866 18824 10124 1 17 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.518 -0.518 18824 10125 1 17 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.974 -0.906 18824 10126 1 17 . 1 1 55 55 ALA H H 55 8.551 8.551 8.672 -0.121 18824 10127 1 17 . 1 1 56 56 GLY N N 56 112.553 112.553 113.448 -0.895 18824 10128 1 17 . 1 1 56 56 GLY C C 56 174.638 174.638 174.710 -0.072 18824 10129 1 17 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.020 -0.539 18824 10130 1 17 . 1 1 56 56 GLY H H 56 9.450 9.450 8.405 1.045 18824 10131 1 17 . 1 1 57 57 ASP N N 57 121.912 121.912 123.911 -1.999 18824 10132 1 17 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.651 -0.104 18824 10133 1 17 . 1 1 57 57 ASP C C 57 174.539 174.539 174.828 -0.289 18824 10134 1 17 . 1 1 57 57 ASP CA C 57 55.157 55.157 55.721 -0.564 18824 10135 1 17 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.480 0.004 18824 10136 1 17 . 1 1 57 57 ASP H H 57 7.948 7.948 8.099 -0.151 18824 10137 1 17 . 1 1 58 58 ARG N N 58 122.512 122.512 123.387 -0.875 18824 10138 1 17 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.751 -0.770 18824 10139 1 17 . 1 1 58 58 ARG C C 58 175.512 175.512 175.338 0.174 18824 10140 1 17 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.798 -0.629 18824 10141 1 17 . 1 1 58 58 ARG CB C 58 32.435 32.435 32.126 0.310 18824 10142 1 17 . 1 1 58 58 ARG H H 58 8.570 8.570 8.820 -0.250 18824 10143 1 17 . 1 1 59 59 LEU N N 59 126.506 126.506 128.199 -1.693 18824 10144 1 17 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.253 -0.194 18824 10145 1 17 . 1 1 59 59 LEU C C 59 174.420 174.420 175.137 -0.717 18824 10146 1 17 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.342 -0.163 18824 10147 1 17 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.007 0.468 18824 10148 1 17 . 1 1 59 59 LEU H H 59 7.917 7.917 8.752 -0.835 18824 10149 1 17 . 1 1 60 60 VAL N N 60 124.914 124.914 127.559 -2.645 18824 10150 1 17 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.131 -0.221 18824 10151 1 17 . 1 1 60 60 VAL CA C 60 63.788 63.788 64.947 -1.159 18824 10152 1 17 . 1 1 60 60 VAL CB C 60 32.805 32.805 32.906 -0.101 18824 10153 1 17 . 1 1 60 60 VAL H H 60 8.781 8.781 9.132 -0.351 18824 10154 1 17 . 1 1 61 61 GLU N N 61 112.868 112.868 118.401 -5.533 18824 10155 1 17 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.180 0.032 18824 10156 1 17 . 1 1 61 61 GLU C C 61 175.717 175.717 174.234 1.483 18824 10157 1 17 . 1 1 61 61 GLU CA C 61 54.186 54.186 54.903 -0.717 18824 10158 1 17 . 1 1 61 61 GLU CB C 61 34.458 34.458 34.024 0.434 18824 10159 1 17 . 1 1 61 61 GLU H H 61 7.332 7.332 8.068 -0.736 18824 10160 1 17 . 1 1 62 62 VAL N N 62 118.357 118.357 123.535 -5.178 18824 10161 1 17 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.655 -0.333 18824 10162 1 17 . 1 1 62 62 VAL C C 62 175.495 175.495 175.810 -0.315 18824 10163 1 17 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.697 0.053 18824 10164 1 17 . 1 1 62 62 VAL CB C 62 33.376 33.376 33.533 -0.157 18824 10165 1 17 . 1 1 62 62 VAL H H 62 8.342 8.342 8.840 -0.498 18824 10166 1 17 . 1 1 63 63 ASN N N 63 129.063 129.063 127.011 2.052 18824 10167 1 17 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.341 -0.162 18824 10168 1 17 . 1 1 63 63 ASN C C 63 175.051 175.051 175.411 -0.360 18824 10169 1 17 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.465 -0.821 18824 10170 1 17 . 1 1 63 63 ASN CB C 63 36.328 36.328 37.142 -0.814 18824 10171 1 17 . 1 1 63 63 ASN H H 63 9.830 9.830 9.648 0.182 18824 10172 1 17 . 1 1 64 64 GLY N N 64 103.346 103.346 101.772 1.574 18824 10173 1 17 . 1 1 64 64 GLY C C 64 173.276 173.276 173.564 -0.288 18824 10174 1 17 . 1 1 64 64 GLY CA C 64 45.043 45.043 44.994 0.049 18824 10175 1 17 . 1 1 64 64 GLY H H 64 9.222 9.222 9.141 0.081 18824 10176 1 17 . 1 1 65 65 GLU N N 65 119.230 119.230 120.385 -1.155 18824 10177 1 17 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.534 -0.045 18824 10178 1 17 . 1 1 65 65 GLU C C 65 174.745 174.745 174.755 -0.010 18824 10179 1 17 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.315 0.376 18824 10180 1 17 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.556 -1.754 18824 10181 1 17 . 1 1 65 65 GLU H H 65 7.553 7.553 7.458 0.095 18824 10182 1 17 . 1 1 66 66 ASN N N 66 123.478 123.478 125.473 -1.995 18824 10183 1 17 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.738 -0.050 18824 10184 1 17 . 1 1 66 66 ASN C C 66 176.144 176.144 175.803 0.341 18824 10185 1 17 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.060 1.164 18824 10186 1 17 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.676 0.913 18824 10187 1 17 . 1 1 66 66 ASN H H 66 8.865 8.865 8.906 -0.041 18824 10188 1 17 . 1 1 67 67 VAL N N 67 117.695 117.695 118.177 -0.482 18824 10189 1 17 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.808 -0.305 18824 10190 1 17 . 1 1 67 67 VAL C C 67 177.475 177.475 176.766 0.709 18824 10191 1 17 . 1 1 67 67 VAL CA C 67 59.756 59.756 61.076 -1.320 18824 10192 1 17 . 1 1 67 67 VAL CB C 67 31.321 31.321 32.516 -1.195 18824 10193 1 17 . 1 1 67 67 VAL H H 67 8.210 8.210 8.844 -0.634 18824 10194 1 17 . 1 1 68 68 GLU N N 68 122.899 122.899 122.339 0.560 18824 10195 1 17 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.172 -0.251 18824 10196 1 17 . 1 1 68 68 GLU C C 68 177.348 177.348 176.499 0.849 18824 10197 1 17 . 1 1 68 68 GLU CA C 68 59.762 59.762 59.037 0.725 18824 10198 1 17 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.804 1.406 18824 10199 1 17 . 1 1 68 68 GLU H H 68 8.427 8.427 8.250 0.177 18824 10200 1 17 . 1 1 69 69 LYS N N 69 113.848 113.848 115.169 -1.321 18824 10201 1 17 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.927 -0.513 18824 10202 1 17 . 1 1 69 69 LYS C C 69 176.510 176.510 175.972 0.538 18824 10203 1 17 . 1 1 69 69 LYS CA C 69 54.675 54.675 54.189 0.486 18824 10204 1 17 . 1 1 69 69 LYS CB C 69 31.762 31.762 31.934 -0.172 18824 10205 1 17 . 1 1 69 69 LYS H H 69 8.576 8.576 8.046 0.530 18824 10206 1 17 . 1 1 70 70 GLU N N 70 119.980 119.980 119.584 0.396 18824 10207 1 17 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.658 -0.297 18824 10208 1 17 . 1 1 70 70 GLU C C 70 176.831 176.831 176.802 0.029 18824 10209 1 17 . 1 1 70 70 GLU CA C 70 56.329 56.329 54.906 1.423 18824 10210 1 17 . 1 1 70 70 GLU CB C 70 31.293 31.293 31.405 -0.112 18824 10211 1 17 . 1 1 70 70 GLU H H 70 6.994 6.994 7.349 -0.355 18824 10212 1 17 . 1 1 71 71 THR N N 71 110.696 110.696 113.535 -2.839 18824 10213 1 17 . 1 1 71 71 THR HA H 71 4.270 4.270 4.430 -0.160 18824 10214 1 17 . 1 1 71 71 THR C C 71 174.812 174.812 175.403 -0.591 18824 10215 1 17 . 1 1 71 71 THR CA C 71 60.267 60.267 60.220 0.047 18824 10216 1 17 . 1 1 71 71 THR CB C 71 71.497 71.497 71.657 -0.160 18824 10217 1 17 . 1 1 71 71 THR H H 71 8.675 8.675 8.985 -0.310 18824 10218 1 17 . 1 1 72 72 HIS N N 72 118.876 118.876 121.976 -3.100 18824 10219 1 17 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.186 -0.602 18824 10220 1 17 . 1 1 72 72 HIS C C 72 175.802 175.802 177.186 -1.384 18824 10221 1 17 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.433 -0.716 18824 10222 1 17 . 1 1 72 72 HIS CB C 72 28.284 28.284 30.120 -1.836 18824 10223 1 17 . 1 1 72 72 HIS H H 72 9.171 9.171 8.886 0.285 18824 10224 1 17 . 1 1 73 73 GLN N N 73 115.563 115.563 117.670 -2.107 18824 10225 1 17 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.047 -0.278 18824 10226 1 17 . 1 1 73 73 GLN C C 73 179.060 179.060 178.603 0.457 18824 10227 1 17 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.385 -0.642 18824 10228 1 17 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.318 -0.525 18824 10229 1 17 . 1 1 73 73 GLN H H 73 8.666 8.666 8.787 -0.121 18824 10230 1 17 . 1 1 74 74 GLN N N 74 119.687 119.687 119.444 0.243 18824 10231 1 17 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.026 -0.189 18824 10232 1 17 . 1 1 74 74 GLN C C 74 179.309 179.309 178.790 0.519 18824 10233 1 17 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.894 -0.171 18824 10234 1 17 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.849 -0.096 18824 10235 1 17 . 1 1 74 74 GLN H H 74 7.614 7.614 7.734 -0.120 18824 10236 1 17 . 1 1 75 75 VAL N N 75 120.633 120.633 119.583 1.050 18824 10237 1 17 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.618 -0.294 18824 10238 1 17 . 1 1 75 75 VAL C C 75 178.031 178.031 177.820 0.211 18824 10239 1 17 . 1 1 75 75 VAL CA C 75 67.423 67.423 66.521 0.902 18824 10240 1 17 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.731 -0.662 18824 10241 1 17 . 1 1 75 75 VAL H H 75 8.289 8.289 7.997 0.292 18824 10242 1 17 . 1 1 76 76 VAL N N 76 118.966 118.966 116.737 2.229 18824 10243 1 17 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.498 -0.170 18824 10244 1 17 . 1 1 76 76 VAL C C 76 178.739 178.739 177.687 1.052 18824 10245 1 17 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.492 0.367 18824 10246 1 17 . 1 1 76 76 VAL CB C 76 30.847 30.847 31.130 -0.283 18824 10247 1 17 . 1 1 76 76 VAL H H 76 8.364 8.364 8.095 0.269 18824 10248 1 17 . 1 1 77 77 SER N N 77 115.158 115.158 115.866 -0.708 18824 10249 1 17 . 1 1 77 77 SER HA H 77 3.994 3.994 4.121 -0.127 18824 10250 1 17 . 1 1 77 77 SER C C 77 176.849 176.849 176.534 0.315 18824 10251 1 17 . 1 1 77 77 SER CA C 77 62.162 62.162 62.141 0.021 18824 10252 1 17 . 1 1 77 77 SER CB C 77 62.232 62.232 63.025 -0.793 18824 10253 1 17 . 1 1 77 77 SER H H 77 7.871 7.871 8.226 -0.355 18824 10254 1 17 . 1 1 78 78 ARG N N 78 121.310 121.310 120.431 0.879 18824 10255 1 17 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.046 -0.124 18824 10256 1 17 . 1 1 78 78 ARG C C 78 179.309 179.309 178.852 0.457 18824 10257 1 17 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.938 -0.189 18824 10258 1 17 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.147 0.132 18824 10259 1 17 . 1 1 78 78 ARG H H 78 7.469 7.469 7.395 0.074 18824 10260 1 17 . 1 1 79 79 ILE N N 79 119.383 119.383 119.152 0.231 18824 10261 1 17 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.886 -0.483 18824 10262 1 17 . 1 1 79 79 ILE C C 79 178.364 178.364 178.633 -0.269 18824 10263 1 17 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.440 -0.150 18824 10264 1 17 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.837 -0.613 18824 10265 1 17 . 1 1 79 79 ILE H H 79 7.759 7.759 7.883 -0.124 18824 10266 1 17 . 1 1 80 80 ARG N N 80 119.497 119.497 118.413 1.084 18824 10267 1 17 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.204 -0.226 18824 10268 1 17 . 1 1 80 80 ARG C C 80 177.544 177.544 177.091 0.453 18824 10269 1 17 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.256 1.474 18824 10270 1 17 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.482 0.346 18824 10271 1 17 . 1 1 80 80 ARG H H 80 8.407 8.407 7.961 0.446 18824 10272 1 17 . 1 1 81 81 ALA N N 81 118.814 118.814 119.965 -1.151 18824 10273 1 17 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.329 -0.268 18824 10274 1 17 . 1 1 81 81 ALA C C 81 177.473 177.473 177.448 0.025 18824 10275 1 17 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.373 0.433 18824 10276 1 17 . 1 1 81 81 ALA CB C 81 18.604 18.604 19.086 -0.482 18824 10277 1 17 . 1 1 81 81 ALA H H 81 7.392 7.392 7.459 -0.067 18824 10278 1 17 . 1 1 82 82 ALA N N 82 121.771 121.771 121.215 0.556 18824 10279 1 17 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.195 0.115 18824 10280 1 17 . 1 1 82 82 ALA C C 82 177.384 177.384 177.196 0.188 18824 10281 1 17 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.654 -1.050 18824 10282 1 17 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.351 -1.760 18824 10283 1 17 . 1 1 82 82 ALA H H 82 7.182 7.182 7.114 0.068 18824 10284 1 17 . 1 1 83 83 LEU N N 83 122.357 122.357 123.938 -1.581 18824 10285 1 17 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.144 -0.153 18824 10286 1 17 . 1 1 83 83 LEU C C 83 177.366 177.366 178.552 -1.186 18824 10287 1 17 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.476 -0.499 18824 10288 1 17 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.062 -1.077 18824 10289 1 17 . 1 1 83 83 LEU H H 83 8.171 8.171 8.776 -0.605 18824 10290 1 17 . 1 1 84 84 ASN N N 84 114.897 114.897 114.098 0.799 18824 10291 1 17 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.733 -0.115 18824 10292 1 17 . 1 1 84 84 ASN C C 84 173.651 173.651 174.089 -0.438 18824 10293 1 17 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.409 0.785 18824 10294 1 17 . 1 1 84 84 ASN CB C 84 39.903 39.903 38.706 1.197 18824 10295 1 17 . 1 1 84 84 ASN H H 84 8.565 8.565 8.462 0.103 18824 10296 1 17 . 1 1 85 85 ALA N N 85 124.026 124.026 120.792 3.234 18824 10297 1 17 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.110 -0.039 18824 10298 1 17 . 1 1 85 85 ALA C C 85 175.751 175.751 174.958 0.793 18824 10299 1 17 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.230 0.881 18824 10300 1 17 . 1 1 85 85 ALA CB C 85 21.156 21.156 21.896 -0.740 18824 10301 1 17 . 1 1 85 85 ALA H H 85 7.808 7.808 7.383 0.425 18824 10302 1 17 . 1 1 86 86 VAL N N 86 116.130 116.130 119.953 -3.823 18824 10303 1 17 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.463 0.129 18824 10304 1 17 . 1 1 86 86 VAL C C 86 171.876 171.876 174.142 -2.266 18824 10305 1 17 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.397 0.351 18824 10306 1 17 . 1 1 86 86 VAL CB C 86 34.893 34.893 35.845 -0.952 18824 10307 1 17 . 1 1 86 86 VAL H H 86 8.432 8.432 8.725 -0.293 18824 10308 1 17 . 1 1 87 87 ARG N N 87 124.913 124.913 127.192 -2.279 18824 10309 1 17 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.759 0.239 18824 10310 1 17 . 1 1 87 87 ARG C C 87 175.316 175.316 174.961 0.355 18824 10311 1 17 . 1 1 87 87 ARG CA C 87 53.991 53.991 54.979 -0.988 18824 10312 1 17 . 1 1 87 87 ARG CB C 87 31.805 31.805 31.148 0.657 18824 10313 1 17 . 1 1 87 87 ARG H H 87 8.255 8.255 8.653 -0.398 18824 10314 1 17 . 1 1 88 88 LEU N N 88 125.141 125.141 125.411 -0.270 18824 10315 1 17 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.990 -0.040 18824 10316 1 17 . 1 1 88 88 LEU C C 88 173.836 173.836 175.040 -1.204 18824 10317 1 17 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.352 -0.971 18824 10318 1 17 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.534 -0.582 18824 10319 1 17 . 1 1 88 88 LEU H H 88 9.041 9.041 9.037 0.004 18824 10320 1 17 . 1 1 89 89 LEU N N 89 126.927 126.927 127.653 -0.726 18824 10321 1 17 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.946 0.231 18824 10322 1 17 . 1 1 89 89 LEU C C 89 175.726 175.726 174.949 0.777 18824 10323 1 17 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.487 0.222 18824 10324 1 17 . 1 1 89 89 LEU CB C 89 43.514 43.514 43.765 -0.251 18824 10325 1 17 . 1 1 89 89 LEU H H 89 8.484 8.484 8.785 -0.301 18824 10326 1 17 . 1 1 90 90 VAL N N 90 119.770 119.770 121.116 -1.346 18824 10327 1 17 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.331 0.107 18824 10328 1 17 . 1 1 90 90 VAL C C 90 174.157 174.157 173.563 0.594 18824 10329 1 17 . 1 1 90 90 VAL CA C 90 57.971 57.971 59.057 -1.086 18824 10330 1 17 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.769 1.087 18824 10331 1 17 . 1 1 90 90 VAL H H 90 9.001 9.001 7.874 1.127 18824 10332 1 17 . 1 1 91 91 VAL N N 91 112.698 112.698 120.155 -7.457 18824 10333 1 17 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.476 0.233 18824 10334 1 17 . 1 1 91 91 VAL C C 91 173.993 173.993 173.774 0.219 18824 10335 1 17 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.704 -0.721 18824 10336 1 17 . 1 1 91 91 VAL CB C 91 35.466 35.466 35.939 -0.473 18824 10337 1 17 . 1 1 91 91 VAL H H 91 8.011 8.011 8.614 -0.603 18824 10338 1 17 . 1 1 92 92 ASP N N 92 127.066 127.066 128.503 -1.437 18824 10339 1 17 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.773 0.233 18824 10340 1 17 . 1 1 92 92 ASP CA C 92 53.078 53.078 52.591 0.487 18824 10341 1 17 . 1 1 92 92 ASP CB C 92 39.764 39.764 41.779 -2.015 18824 10342 1 17 . 1 1 92 92 ASP H H 92 7.878 7.878 8.705 -0.827 18824 10343 1 17 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.237 0.166 18824 10344 1 17 . 1 1 93 93 PRO CA C 93 65.864 65.864 64.984 0.880 18824 10345 1 17 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.926 0.295 18824 10346 1 17 . 1 1 94 94 GLU N N 94 119.504 119.504 115.819 3.685 18824 10347 1 17 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.041 0.009 18824 10348 1 17 . 1 1 94 94 GLU C C 94 179.182 179.182 178.353 0.829 18824 10349 1 17 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.761 -0.543 18824 10350 1 17 . 1 1 94 94 GLU CB C 94 28.950 28.950 28.810 0.140 18824 10351 1 17 . 1 1 94 94 GLU H H 94 8.156 8.156 8.701 -0.545 18824 10352 1 17 . 1 1 95 95 THR N N 95 120.651 120.651 116.016 4.635 18824 10353 1 17 . 1 1 95 95 THR HA H 95 3.751 3.751 4.098 -0.347 18824 10354 1 17 . 1 1 95 95 THR C C 95 175.888 175.888 176.094 -0.206 18824 10355 1 17 . 1 1 95 95 THR CA C 95 65.764 65.764 66.549 -0.785 18824 10356 1 17 . 1 1 95 95 THR CB C 95 67.338 67.338 68.438 -1.099 18824 10357 1 17 . 1 1 95 95 THR H H 95 8.315 8.315 8.710 -0.395 18824 10358 1 17 . 1 1 96 96 ASP N N 96 120.554 120.554 122.902 -2.348 18824 10359 1 17 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.266 -0.033 18824 10360 1 17 . 1 1 96 96 ASP C C 96 178.275 178.275 177.928 0.347 18824 10361 1 17 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.977 -1.756 18824 10362 1 17 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.718 0.320 18824 10363 1 17 . 1 1 96 96 ASP H H 96 8.381 8.381 8.698 -0.317 18824 10364 1 17 . 1 1 97 97 GLU N N 97 117.457 117.457 118.818 -1.361 18824 10365 1 17 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.931 -0.066 18824 10366 1 17 . 1 1 97 97 GLU C C 97 178.790 178.790 179.037 -0.247 18824 10367 1 17 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.452 -0.243 18824 10368 1 17 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.595 -0.549 18824 10369 1 17 . 1 1 97 97 GLU H H 97 7.727 7.727 7.985 -0.258 18824 10370 1 17 . 1 1 98 98 GLN N N 98 118.704 118.704 118.485 0.219 18824 10371 1 17 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.076 -0.102 18824 10372 1 17 . 1 1 98 98 GLN C C 98 178.756 178.756 178.766 -0.010 18824 10373 1 17 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.508 -0.268 18824 10374 1 17 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.843 -0.911 18824 10375 1 17 . 1 1 98 98 GLN H H 98 7.733 7.733 7.396 0.337 18824 10376 1 17 . 1 1 99 99 LEU N N 99 119.242 119.242 120.096 -0.854 18824 10377 1 17 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.818 0.096 18824 10378 1 17 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.849 -0.130 18824 10379 1 17 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.388 -1.505 18824 10380 1 17 . 1 1 99 99 LEU H H 99 8.494 8.494 8.405 0.089 18824 10381 1 17 . 1 1 100 100 GLN N N 100 118.689 118.689 117.759 0.930 18824 10382 1 17 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.140 -0.176 18824 10383 1 17 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.394 0.240 18824 10384 1 17 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.203 -0.485 18824 10385 1 17 . 1 1 100 100 GLN H H 100 8.202 8.202 8.544 -0.342 18824 10386 1 17 . 1 1 101 101 LYS N N 101 120.369 120.369 120.260 0.109 18824 10387 1 17 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.137 -0.203 18824 10388 1 17 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.158 0.584 18824 10389 1 17 . 1 1 101 101 LYS CB C 101 31.861 31.861 31.724 0.137 18824 10390 1 17 . 1 1 101 101 LYS H H 101 7.783 7.783 7.680 0.103 18824 10391 1 17 . 1 1 102 102 LEU N N 102 117.862 117.862 117.344 0.518 18824 10392 1 17 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.346 -0.189 18824 10393 1 17 . 1 1 102 102 LEU C C 102 177.526 177.526 177.311 0.215 18824 10394 1 17 . 1 1 102 102 LEU CA C 102 55.174 55.174 54.856 0.318 18824 10395 1 17 . 1 1 102 102 LEU CB C 102 42.966 42.966 41.422 1.544 18824 10396 1 17 . 1 1 102 102 LEU H H 102 7.512 7.512 7.240 0.272 18824 10397 1 17 . 1 1 103 103 GLY N N 103 108.863 108.863 106.300 2.563 18824 10398 1 17 . 1 1 103 103 GLY C C 103 174.353 174.353 174.416 -0.063 18824 10399 1 17 . 1 1 103 103 GLY CA C 103 45.565 45.565 45.095 0.470 18824 10400 1 17 . 1 1 103 103 GLY H H 103 7.851 7.851 7.462 0.389 18824 10401 1 17 . 1 1 104 104 VAL N N 104 120.506 120.506 120.863 -0.357 18824 10402 1 17 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.074 -0.222 18824 10403 1 17 . 1 1 104 104 VAL CA C 104 61.751 61.751 61.966 -0.215 18824 10404 1 17 . 1 1 104 104 VAL CB C 104 32.824 32.824 32.673 0.151 18824 10405 1 17 . 1 1 104 104 VAL H H 104 7.726 7.726 7.840 -0.114 18824 10406 1 17 . 1 1 105 105 GLN N N 105 124.776 124.776 125.208 -0.432 18824 10407 1 17 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.613 -0.506 18824 10408 1 17 . 1 1 105 105 GLN CA C 105 55.170 55.170 54.398 0.772 18824 10409 1 17 . 1 1 105 105 GLN CB C 105 28.783 28.783 29.226 -0.443 18824 10410 1 17 . 1 1 105 105 GLN H H 105 8.245 8.245 8.736 -0.491 18824 10411 1 17 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.811 -0.349 18824 10412 1 17 . 1 1 106 106 VAL C C 106 179.182 179.182 176.753 2.429 18824 10413 1 17 . 1 1 106 106 VAL CA C 106 64.553 64.553 64.662 -0.109 18824 10414 1 17 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.999 -1.690 18824 10415 1 17 . 1 1 106 106 VAL H H 106 8.504 8.504 8.697 -0.193 18824 10416 1 17 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.070 0.170 18824 10417 1 17 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.273 -0.654 18824 10418 1 17 . 1 1 108 108 GLU CA C 108 59.746 59.746 57.225 2.521 18824 10419 1 17 . 1 1 108 108 GLU CB C 108 29.234 29.234 30.257 -1.023 18824 10420 1 17 . 1 1 108 108 GLU H H 108 8.690 8.690 7.629 1.061 18824 10421 1 17 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.297 -0.255 18824 10422 1 17 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.115 -0.755 18824 10423 1 17 . 1 1 110 110 LEU CB C 110 42.120 42.120 42.191 -0.070 18824 10424 1 17 . 1 1 111 111 LEU N N 111 116.974 116.974 118.650 -1.676 18824 10425 1 17 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.070 0.013 18824 10426 1 17 . 1 1 111 111 LEU C C 111 177.598 177.598 178.448 -0.850 18824 10427 1 17 . 1 1 111 111 LEU CA C 111 55.628 55.628 56.773 -1.145 18824 10428 1 17 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.190 -0.213 18824 10429 1 17 . 1 1 111 111 LEU H H 111 7.791 7.791 7.583 0.208 18824 10430 1 17 . 1 1 112 112 ARG N N 112 119.231 119.231 119.765 -0.534 18824 10431 1 17 . 1 1 112 112 ARG HA H 112 4.152 4.152 3.991 0.161 18824 10432 1 17 . 1 1 112 112 ARG C C 112 176.246 176.246 177.633 -1.387 18824 10433 1 17 . 1 1 112 112 ARG CA C 112 56.180 56.180 58.977 -2.797 18824 10434 1 17 . 1 1 112 112 ARG CB C 112 30.340 30.340 30.028 0.312 18824 10435 1 17 . 1 1 112 112 ARG H H 112 7.528 7.528 7.384 0.144 18824 10436 1 17 . 1 1 113 113 ALA N N 113 123.896 123.896 121.179 2.717 18824 10437 1 17 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.194 -0.055 18824 10438 1 17 . 1 1 113 113 ALA C C 113 177.783 177.783 177.621 0.162 18824 10439 1 17 . 1 1 113 113 ALA CA C 113 52.649 52.649 53.508 -0.860 18824 10440 1 17 . 1 1 113 113 ALA CB C 113 18.618 18.618 18.882 -0.264 18824 10441 1 17 . 1 1 113 113 ALA H H 113 7.954 7.954 8.088 -0.134 18824 10442 1 17 . 1 1 114 114 GLN N N 114 118.555 118.555 119.151 -0.596 18824 10443 1 17 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.296 -0.137 18824 10444 1 17 . 1 1 114 114 GLN C C 114 175.815 175.815 175.233 0.582 18824 10445 1 17 . 1 1 114 114 GLN CA C 114 55.551 55.551 55.021 0.530 18824 10446 1 17 . 1 1 114 114 GLN CB C 114 29.023 29.023 29.153 -0.130 18824 10447 1 17 . 1 1 114 114 GLN H H 114 8.121 8.121 7.639 0.482 18824 10448 1 17 . 1 1 115 115 GLU N N 115 121.589 121.589 124.637 -3.048 18824 10449 1 17 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.601 -0.471 18824 10450 1 17 . 1 1 115 115 GLU C C 115 175.637 175.637 175.665 -0.028 18824 10451 1 17 . 1 1 115 115 GLU CA C 115 55.779 55.779 55.138 0.641 18824 10452 1 17 . 1 1 115 115 GLU CB C 115 30.038 30.038 31.478 -1.440 18824 10453 1 17 . 1 1 115 115 GLU H H 115 8.164 8.164 8.591 -0.427 18824 10454 1 17 . 1 1 116 116 ALA N N 116 126.435 126.435 124.644 1.791 18824 10455 1 17 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.709 -0.250 18824 10456 1 17 . 1 1 116 116 ALA CA C 116 50.094 50.094 49.459 0.635 18824 10457 1 17 . 1 1 116 116 ALA CB C 116 17.622 17.622 19.213 -1.591 18824 10458 1 17 . 1 1 116 116 ALA H H 116 8.266 8.266 8.258 0.008 18824 10459 1 17 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.340 -0.036 18824 10460 1 17 . 1 1 117 117 PRO C C 117 177.580 177.580 176.971 0.609 18824 10461 1 17 . 1 1 117 117 PRO CA C 117 62.789 62.789 62.811 -0.022 18824 10462 1 17 . 1 1 117 117 PRO CB C 117 31.812 31.812 32.263 -0.451 18824 10463 1 17 . 1 1 118 118 GLY N N 118 109.304 109.304 111.845 -2.541 18824 10464 1 17 . 1 1 118 118 GLY C C 118 173.872 173.872 174.447 -0.575 18824 10465 1 17 . 1 1 118 118 GLY CA C 118 45.014 45.014 44.763 0.251 18824 10466 1 17 . 1 1 118 118 GLY H H 118 8.425 8.425 8.435 -0.010 18824 10467 1 17 . 1 1 119 119 GLN N N 119 120.070 120.070 124.330 -4.260 18824 10468 1 17 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.415 -0.201 18824 10469 1 17 . 1 1 119 119 GLN C C 119 174.692 174.692 174.991 -0.299 18824 10470 1 17 . 1 1 119 119 GLN CA C 119 55.442 55.442 55.130 0.312 18824 10471 1 17 . 1 1 119 119 GLN CB C 119 29.308 29.308 27.603 1.705 18824 10472 1 17 . 1 1 119 119 GLN H H 119 8.081 8.081 8.871 -0.790 18824 10473 1 18 . 1 1 5 5 ILE N N 5 119.691 119.691 122.519 -2.828 18824 10474 1 18 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.304 -0.246 18824 10475 1 18 . 1 1 5 5 ILE C C 5 175.649 175.649 175.023 0.626 18824 10476 1 18 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.270 -0.674 18824 10477 1 18 . 1 1 5 5 ILE CB C 5 38.674 38.674 39.764 -1.090 18824 10478 1 18 . 1 1 5 5 ILE H H 5 8.370 8.370 8.172 0.198 18824 10479 1 18 . 1 1 6 6 ASP N N 6 126.564 126.564 127.842 -1.278 18824 10480 1 18 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.894 -0.204 18824 10481 1 18 . 1 1 6 6 ASP CA C 6 52.261 52.261 51.360 0.901 18824 10482 1 18 . 1 1 6 6 ASP CB C 6 40.555 40.555 43.217 -2.662 18824 10483 1 18 . 1 1 6 6 ASP H H 6 8.373 8.373 8.517 -0.144 18824 10484 1 18 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.226 -0.066 18824 10485 1 18 . 1 1 7 7 PRO C C 7 176.417 176.417 176.398 0.019 18824 10486 1 18 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.725 -0.674 18824 10487 1 18 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.266 -0.586 18824 10488 1 18 . 1 1 8 8 PHE N N 8 117.858 117.858 116.034 1.824 18824 10489 1 18 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.635 -0.091 18824 10490 1 18 . 1 1 8 8 PHE CA C 8 57.253 57.253 58.144 -0.891 18824 10491 1 18 . 1 1 8 8 PHE CB C 8 38.444 38.444 41.182 -2.738 18824 10492 1 18 . 1 1 8 8 PHE H H 8 7.974 7.974 7.561 0.413 18824 10493 1 18 . 1 1 9 9 THR N N 9 112.459 112.459 116.494 -4.035 18824 10494 1 18 . 1 1 9 9 THR HA H 9 4.338 4.338 4.558 -0.220 18824 10495 1 18 . 1 1 9 9 THR C C 9 175.888 175.888 173.910 1.978 18824 10496 1 18 . 1 1 9 9 THR CA C 9 60.827 60.827 61.481 -0.654 18824 10497 1 18 . 1 1 9 9 THR CB C 9 69.387 69.387 70.281 -0.894 18824 10498 1 18 . 1 1 9 9 THR H H 9 7.927 7.927 8.238 -0.311 18824 10499 1 18 . 1 1 10 10 MET N N 10 121.338 121.338 120.615 0.723 18824 10500 1 18 . 1 1 10 10 MET HA H 10 4.310 4.310 4.159 0.151 18824 10501 1 18 . 1 1 10 10 MET C C 10 174.386 174.386 174.834 -0.448 18824 10502 1 18 . 1 1 10 10 MET CA C 10 52.415 52.415 55.759 -3.344 18824 10503 1 18 . 1 1 10 10 MET H H 10 7.648 7.648 8.543 -0.895 18824 10504 1 18 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.564 0.126 18824 10505 1 18 . 1 1 11 11 LEU CA C 11 52.606 52.606 53.235 -0.629 18824 10506 1 18 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.956 3.123 18824 10507 1 18 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.454 0.163 18824 10508 1 18 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.739 -0.474 18824 10509 1 18 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.620 -0.794 18824 10510 1 18 . 1 1 13 13 ARG N N 13 118.005 118.005 120.519 -2.514 18824 10511 1 18 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.587 -0.203 18824 10512 1 18 . 1 1 13 13 ARG C C 13 173.498 173.498 175.390 -1.892 18824 10513 1 18 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.544 0.131 18824 10514 1 18 . 1 1 13 13 ARG CB C 13 32.565 32.565 33.111 -0.546 18824 10515 1 18 . 1 1 13 13 ARG H H 13 8.484 8.484 8.251 0.233 18824 10516 1 18 . 1 1 14 14 LEU N N 14 124.897 124.897 125.823 -0.926 18824 10517 1 18 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.343 0.525 18824 10518 1 18 . 1 1 14 14 LEU C C 14 176.144 176.144 175.904 0.240 18824 10519 1 18 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.948 -1.901 18824 10520 1 18 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.218 0.739 18824 10521 1 18 . 1 1 14 14 LEU H H 14 8.520 8.520 8.554 -0.034 18824 10522 1 18 . 1 1 15 15 CYS N N 15 127.167 127.167 127.717 -0.550 18824 10523 1 18 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.746 -0.155 18824 10524 1 18 . 1 1 15 15 CYS C C 15 173.408 173.408 173.474 -0.066 18824 10525 1 18 . 1 1 15 15 CYS CA C 15 57.454 57.454 57.676 -0.222 18824 10526 1 18 . 1 1 15 15 CYS CB C 15 29.325 29.325 28.848 0.477 18824 10527 1 18 . 1 1 15 15 CYS H H 15 9.247 9.247 9.061 0.186 18824 10528 1 18 . 1 1 16 16 CYS N N 16 125.133 125.133 126.710 -1.577 18824 10529 1 18 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.414 -0.678 18824 10530 1 18 . 1 1 16 16 CYS C C 16 172.784 172.784 173.825 -1.041 18824 10531 1 18 . 1 1 16 16 CYS CA C 16 58.040 58.040 57.914 0.126 18824 10532 1 18 . 1 1 16 16 CYS CB C 16 27.242 27.242 28.524 -1.282 18824 10533 1 18 . 1 1 16 16 CYS H H 16 9.049 9.049 9.021 0.028 18824 10534 1 18 . 1 1 17 17 LEU N N 17 124.624 124.624 123.597 1.027 18824 10535 1 18 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.993 -0.341 18824 10536 1 18 . 1 1 17 17 LEU C C 17 175.672 175.672 174.753 0.919 18824 10537 1 18 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.423 1.801 18824 10538 1 18 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.682 -0.640 18824 10539 1 18 . 1 1 17 17 LEU H H 17 8.750 8.750 8.797 -0.047 18824 10540 1 18 . 1 1 18 18 GLU N N 18 121.610 121.610 119.726 1.884 18824 10541 1 18 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.739 0.021 18824 10542 1 18 . 1 1 18 18 GLU C C 18 175.548 175.548 175.844 -0.296 18824 10543 1 18 . 1 1 18 18 GLU CA C 18 54.861 54.861 55.475 -0.614 18824 10544 1 18 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.514 -0.202 18824 10545 1 18 . 1 1 18 18 GLU H H 18 8.304 8.304 8.664 -0.360 18824 10546 1 18 . 1 1 19 19 LYS N N 19 123.922 123.922 124.677 -0.755 18824 10547 1 18 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.659 -0.549 18824 10548 1 18 . 1 1 19 19 LYS C C 19 176.635 176.635 176.462 0.173 18824 10549 1 18 . 1 1 19 19 LYS CA C 19 58.488 58.488 55.467 3.021 18824 10550 1 18 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.724 -0.399 18824 10551 1 18 . 1 1 19 19 LYS H H 19 8.131 8.131 8.526 -0.395 18824 10552 1 18 . 1 1 20 20 GLY N N 20 112.282 112.282 114.442 -2.160 18824 10553 1 18 . 1 1 20 20 GLY CA C 20 44.045 44.045 43.977 0.068 18824 10554 1 18 . 1 1 20 20 GLY H H 20 6.955 6.955 8.576 -1.621 18824 10555 1 18 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.305 -0.128 18824 10556 1 18 . 1 1 21 21 PRO C C 21 177.081 177.081 176.581 0.500 18824 10557 1 18 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.441 -0.119 18824 10558 1 18 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.823 -0.242 18824 10559 1 18 . 1 1 22 22 ASN N N 22 114.637 114.637 114.995 -0.358 18824 10560 1 18 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.760 0.159 18824 10561 1 18 . 1 1 22 22 ASN C C 22 175.102 175.102 175.067 0.035 18824 10562 1 18 . 1 1 22 22 ASN CA C 22 51.618 51.618 52.414 -0.796 18824 10563 1 18 . 1 1 22 22 ASN CB C 22 38.930 38.930 38.479 0.451 18824 10564 1 18 . 1 1 22 22 ASN H H 22 8.462 8.462 8.223 0.239 18824 10565 1 18 . 1 1 23 23 GLY N N 23 107.193 107.193 108.853 -1.660 18824 10566 1 18 . 1 1 23 23 GLY C C 23 174.932 174.932 174.329 0.603 18824 10567 1 18 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.205 -0.779 18824 10568 1 18 . 1 1 23 23 GLY H H 23 7.499 7.499 7.539 -0.040 18824 10569 1 18 . 1 1 24 24 TYR N N 24 119.910 119.910 123.914 -4.004 18824 10570 1 18 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.797 -0.488 18824 10571 1 18 . 1 1 24 24 TYR C C 24 177.188 177.188 176.788 0.400 18824 10572 1 18 . 1 1 24 24 TYR CA C 24 60.745 60.745 58.632 2.113 18824 10573 1 18 . 1 1 24 24 TYR CB C 24 40.447 40.447 39.674 0.773 18824 10574 1 18 . 1 1 24 24 TYR H H 24 8.894 8.894 8.600 0.294 18824 10575 1 18 . 1 1 25 25 GLY N N 25 104.016 104.016 105.010 -0.994 18824 10576 1 18 . 1 1 25 25 GLY C C 25 173.020 173.020 172.791 0.229 18824 10577 1 18 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.138 0.383 18824 10578 1 18 . 1 1 25 25 GLY H H 25 8.394 8.394 8.401 -0.007 18824 10579 1 18 . 1 1 26 26 PHE N N 26 110.891 110.891 116.871 -5.980 18824 10580 1 18 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.702 -0.063 18824 10581 1 18 . 1 1 26 26 PHE C C 26 172.250 172.250 173.165 -0.915 18824 10582 1 18 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.340 -0.234 18824 10583 1 18 . 1 1 26 26 PHE CB C 26 41.690 41.690 42.314 -0.624 18824 10584 1 18 . 1 1 26 26 PHE H H 26 6.711 6.711 7.484 -0.773 18824 10585 1 18 . 1 1 27 27 HIS N N 27 118.261 118.261 117.633 0.628 18824 10586 1 18 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.746 0.038 18824 10587 1 18 . 1 1 27 27 HIS C C 27 174.659 174.659 173.689 0.970 18824 10588 1 18 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.028 -0.471 18824 10589 1 18 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.376 -0.532 18824 10590 1 18 . 1 1 27 27 HIS H H 27 7.964 7.964 9.285 -1.321 18824 10591 1 18 . 1 1 28 28 LEU N N 28 125.694 125.694 123.539 2.155 18824 10592 1 18 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.208 0.277 18824 10593 1 18 . 1 1 28 28 LEU C C 28 176.849 176.849 175.923 0.926 18824 10594 1 18 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.827 -0.164 18824 10595 1 18 . 1 1 28 28 LEU CB C 28 45.031 45.031 45.487 -0.456 18824 10596 1 18 . 1 1 28 28 LEU H H 28 9.554 9.554 8.643 0.911 18824 10597 1 18 . 1 1 29 29 HIS N N 29 119.263 119.263 121.081 -1.818 18824 10598 1 18 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.038 -0.277 18824 10599 1 18 . 1 1 29 29 HIS C C 29 173.447 173.447 174.318 -0.871 18824 10600 1 18 . 1 1 29 29 HIS CA C 29 55.791 55.791 54.564 1.227 18824 10601 1 18 . 1 1 29 29 HIS CB C 29 32.836 32.836 32.974 -0.138 18824 10602 1 18 . 1 1 29 29 HIS H H 29 9.625 9.625 9.617 0.008 18824 10603 1 18 . 1 1 30 30 GLY N N 30 110.254 110.254 109.406 0.848 18824 10604 1 18 . 1 1 30 30 GLY C C 30 172.917 172.917 173.716 -0.799 18824 10605 1 18 . 1 1 30 30 GLY CA C 30 43.983 43.983 43.792 0.191 18824 10606 1 18 . 1 1 30 30 GLY H H 30 8.403 8.403 8.796 -0.393 18824 10607 1 18 . 1 1 31 31 GLU N N 31 119.753 119.753 117.342 2.411 18824 10608 1 18 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.040 0.243 18824 10609 1 18 . 1 1 31 31 GLU C C 31 175.939 175.939 175.460 0.479 18824 10610 1 18 . 1 1 31 31 GLU CA C 31 54.431 54.431 57.669 -3.238 18824 10611 1 18 . 1 1 31 31 GLU CB C 31 32.343 32.343 29.245 3.098 18824 10612 1 18 . 1 1 31 31 GLU H H 31 9.060 9.060 8.308 0.752 18824 10613 1 18 . 1 1 32 32 LYS N N 32 124.046 124.046 121.702 2.344 18824 10614 1 18 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.491 -0.577 18824 10615 1 18 . 1 1 32 32 LYS C C 32 177.776 177.776 176.869 0.907 18824 10616 1 18 . 1 1 32 32 LYS CA C 32 57.714 57.714 55.547 2.167 18824 10617 1 18 . 1 1 32 32 LYS CB C 32 31.831 31.831 33.123 -1.292 18824 10618 1 18 . 1 1 32 32 LYS H H 32 8.424 8.424 8.398 0.026 18824 10619 1 18 . 1 1 33 33 GLY N N 33 113.177 113.177 112.112 1.065 18824 10620 1 18 . 1 1 33 33 GLY C C 33 173.408 173.408 174.645 -1.237 18824 10621 1 18 . 1 1 33 33 GLY CA C 33 45.033 45.033 45.403 -0.370 18824 10622 1 18 . 1 1 33 33 GLY H H 33 8.856 8.856 8.554 0.302 18824 10623 1 18 . 1 1 34 34 LYS N N 34 118.719 118.719 119.826 -1.107 18824 10624 1 18 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.439 0.201 18824 10625 1 18 . 1 1 34 34 LYS C C 34 176.528 176.528 176.533 -0.005 18824 10626 1 18 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.615 -1.058 18824 10627 1 18 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.131 1.732 18824 10628 1 18 . 1 1 34 34 LYS H H 34 7.790 7.790 7.840 -0.050 18824 10629 1 18 . 1 1 35 35 LEU N N 35 124.084 124.084 114.499 9.585 18824 10630 1 18 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.814 -0.329 18824 10631 1 18 . 1 1 35 35 LEU C C 35 177.646 177.646 175.576 2.070 18824 10632 1 18 . 1 1 35 35 LEU CA C 35 54.662 54.662 53.997 0.665 18824 10633 1 18 . 1 1 35 35 LEU CB C 35 42.676 42.676 42.245 0.431 18824 10634 1 18 . 1 1 35 35 LEU H H 35 8.759 8.759 8.738 0.021 18824 10635 1 18 . 1 1 36 36 GLY N N 36 110.962 110.962 105.756 5.206 18824 10636 1 18 . 1 1 36 36 GLY C C 36 173.070 173.070 172.569 0.501 18824 10637 1 18 . 1 1 36 36 GLY CA C 36 44.526 44.526 44.198 0.328 18824 10638 1 18 . 1 1 36 36 GLY H H 36 8.533 8.533 7.496 1.037 18824 10639 1 18 . 1 1 37 37 GLN N N 37 117.136 117.136 118.600 -1.464 18824 10640 1 18 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.540 -0.051 18824 10641 1 18 . 1 1 37 37 GLN C C 37 173.925 173.925 174.672 -0.747 18824 10642 1 18 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.572 0.234 18824 10643 1 18 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.343 0.499 18824 10644 1 18 . 1 1 37 37 GLN H H 37 8.885 8.885 8.107 0.778 18824 10645 1 18 . 1 1 38 38 TYR N N 38 119.053 119.053 119.200 -0.147 18824 10646 1 18 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.195 0.000 18824 10647 1 18 . 1 1 38 38 TYR C C 38 176.110 176.110 175.565 0.545 18824 10648 1 18 . 1 1 38 38 TYR CA C 38 55.230 55.230 55.866 -0.636 18824 10649 1 18 . 1 1 38 38 TYR CB C 38 41.982 41.982 41.962 0.020 18824 10650 1 18 . 1 1 38 38 TYR H H 38 8.719 8.719 9.183 -0.464 18824 10651 1 18 . 1 1 39 39 ILE N N 39 120.624 120.624 121.940 -1.316 18824 10652 1 18 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.443 -0.193 18824 10653 1 18 . 1 1 39 39 ILE C C 39 175.797 175.797 176.663 -0.866 18824 10654 1 18 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.105 -1.873 18824 10655 1 18 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.546 -1.152 18824 10656 1 18 . 1 1 39 39 ILE H H 39 9.208 9.208 8.879 0.329 18824 10657 1 18 . 1 1 40 40 ARG N N 40 130.372 130.372 128.482 1.890 18824 10658 1 18 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.360 -0.273 18824 10659 1 18 . 1 1 40 40 ARG C C 40 174.846 174.846 175.802 -0.956 18824 10660 1 18 . 1 1 40 40 ARG CA C 40 56.610 56.610 55.980 0.630 18824 10661 1 18 . 1 1 40 40 ARG CB C 40 31.315 31.315 32.230 -0.915 18824 10662 1 18 . 1 1 40 40 ARG H H 40 9.240 9.240 9.189 0.051 18824 10663 1 18 . 1 1 41 41 LEU N N 41 116.642 116.642 118.075 -1.433 18824 10664 1 18 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.629 -0.271 18824 10665 1 18 . 1 1 41 41 LEU C C 41 173.658 173.658 174.386 -0.728 18824 10666 1 18 . 1 1 41 41 LEU CA C 41 54.685 54.685 55.419 -0.734 18824 10667 1 18 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.528 -0.313 18824 10668 1 18 . 1 1 41 41 LEU H H 41 7.130 7.130 7.708 -0.578 18824 10669 1 18 . 1 1 42 42 VAL N N 42 125.934 125.934 123.687 2.247 18824 10670 1 18 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.798 -0.443 18824 10671 1 18 . 1 1 42 42 VAL C C 42 175.548 175.548 175.118 0.430 18824 10672 1 18 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.739 0.514 18824 10673 1 18 . 1 1 42 42 VAL CB C 42 33.223 33.223 34.028 -0.805 18824 10674 1 18 . 1 1 42 42 VAL H H 42 8.731 8.731 8.399 0.332 18824 10675 1 18 . 1 1 43 43 GLU N N 43 128.285 128.285 128.402 -0.117 18824 10676 1 18 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.535 -0.214 18824 10677 1 18 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.240 0.419 18824 10678 1 18 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.606 -0.877 18824 10679 1 18 . 1 1 43 43 GLU H H 43 9.102 9.102 8.981 0.121 18824 10680 1 18 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.340 0.100 18824 10681 1 18 . 1 1 44 44 PRO C C 44 178.222 178.222 177.933 0.289 18824 10682 1 18 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.463 -0.165 18824 10683 1 18 . 1 1 44 44 PRO CB C 44 31.388 31.388 31.272 0.116 18824 10684 1 18 . 1 1 45 45 GLY N N 45 113.166 113.166 114.320 -1.154 18824 10685 1 18 . 1 1 45 45 GLY C C 45 173.515 173.515 174.359 -0.844 18824 10686 1 18 . 1 1 45 45 GLY CA C 45 45.525 45.525 45.139 0.386 18824 10687 1 18 . 1 1 45 45 GLY H H 45 9.416 9.416 9.559 -0.143 18824 10688 1 18 . 1 1 46 46 SER N N 46 114.219 114.219 117.059 -2.840 18824 10689 1 18 . 1 1 46 46 SER HA H 46 4.670 4.670 4.854 -0.184 18824 10690 1 18 . 1 1 46 46 SER CA C 46 57.103 57.103 56.648 0.455 18824 10691 1 18 . 1 1 46 46 SER CB C 46 64.458 64.458 64.450 0.008 18824 10692 1 18 . 1 1 46 46 SER H H 46 7.422 7.422 7.635 -0.213 18824 10693 1 18 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.310 -0.023 18824 10694 1 18 . 1 1 47 47 PRO C C 47 179.487 179.487 177.597 1.890 18824 10695 1 18 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.947 0.390 18824 10696 1 18 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.526 0.813 18824 10697 1 18 . 1 1 48 48 ALA N N 48 116.941 116.941 120.838 -3.897 18824 10698 1 18 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.970 -0.162 18824 10699 1 18 . 1 1 48 48 ALA C C 48 177.063 177.063 179.136 -2.073 18824 10700 1 18 . 1 1 48 48 ALA CA C 48 55.110 55.110 54.982 0.128 18824 10701 1 18 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.300 1.874 18824 10702 1 18 . 1 1 48 48 ALA H H 48 7.855 7.855 7.831 0.024 18824 10703 1 18 . 1 1 49 49 GLU N N 49 120.064 120.064 116.922 3.142 18824 10704 1 18 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.094 -0.240 18824 10705 1 18 . 1 1 49 49 GLU C C 49 181.038 181.038 178.522 2.516 18824 10706 1 18 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.888 0.293 18824 10707 1 18 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.675 -0.005 18824 10708 1 18 . 1 1 49 49 GLU H H 49 7.732 7.732 7.857 -0.125 18824 10709 1 18 . 1 1 50 50 LYS N N 50 120.570 120.570 118.623 1.947 18824 10710 1 18 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.129 -0.205 18824 10711 1 18 . 1 1 50 50 LYS C C 50 177.580 177.580 177.975 -0.395 18824 10712 1 18 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.612 0.168 18824 10713 1 18 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.214 -0.410 18824 10714 1 18 . 1 1 50 50 LYS H H 50 8.156 8.156 7.365 0.791 18824 10715 1 18 . 1 1 51 51 ALA N N 51 117.482 117.482 118.167 -0.685 18824 10716 1 18 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.311 -0.003 18824 10717 1 18 . 1 1 51 51 ALA C C 51 177.509 177.509 177.556 -0.047 18824 10718 1 18 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.646 -0.528 18824 10719 1 18 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.441 0.754 18824 10720 1 18 . 1 1 51 51 ALA H H 51 7.730 7.730 7.246 0.484 18824 10721 1 18 . 1 1 52 52 GLY N N 52 103.549 103.549 105.715 -2.166 18824 10722 1 18 . 1 1 52 52 GLY C C 52 174.888 174.888 174.339 0.549 18824 10723 1 18 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.690 0.333 18824 10724 1 18 . 1 1 52 52 GLY H H 52 7.513 7.513 7.528 -0.015 18824 10725 1 18 . 1 1 53 53 LEU N N 53 120.806 120.806 122.395 -1.589 18824 10726 1 18 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.344 -0.488 18824 10727 1 18 . 1 1 53 53 LEU C C 53 174.692 174.692 175.462 -0.770 18824 10728 1 18 . 1 1 53 53 LEU CA C 53 55.190 55.190 55.205 -0.015 18824 10729 1 18 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.685 0.309 18824 10730 1 18 . 1 1 53 53 LEU H H 53 7.420 7.420 7.795 -0.375 18824 10731 1 18 . 1 1 54 54 LEU N N 54 122.726 122.726 122.664 0.062 18824 10732 1 18 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.770 -0.265 18824 10733 1 18 . 1 1 54 54 LEU C C 54 176.350 176.350 175.138 1.212 18824 10734 1 18 . 1 1 54 54 LEU CA C 54 52.981 52.981 53.637 -0.656 18824 10735 1 18 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.419 -0.855 18824 10736 1 18 . 1 1 54 54 LEU H H 54 8.546 8.546 7.929 0.617 18824 10737 1 18 . 1 1 55 55 ALA N N 55 122.735 122.735 126.697 -3.962 18824 10738 1 18 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.268 -0.537 18824 10739 1 18 . 1 1 55 55 ALA C C 55 179.077 179.077 177.276 1.801 18824 10740 1 18 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.654 -0.654 18824 10741 1 18 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.972 -0.904 18824 10742 1 18 . 1 1 55 55 ALA H H 55 8.551 8.551 8.686 -0.135 18824 10743 1 18 . 1 1 56 56 GLY N N 56 112.553 112.553 112.379 0.174 18824 10744 1 18 . 1 1 56 56 GLY C C 56 174.638 174.638 174.306 0.332 18824 10745 1 18 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.041 -0.560 18824 10746 1 18 . 1 1 56 56 GLY H H 56 9.450 9.450 8.287 1.163 18824 10747 1 18 . 1 1 57 57 ASP N N 57 121.912 121.912 124.676 -2.764 18824 10748 1 18 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.514 0.033 18824 10749 1 18 . 1 1 57 57 ASP C C 57 174.539 174.539 174.866 -0.327 18824 10750 1 18 . 1 1 57 57 ASP CA C 57 55.157 55.157 56.176 -1.019 18824 10751 1 18 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.513 -0.029 18824 10752 1 18 . 1 1 57 57 ASP H H 57 7.948 7.948 8.161 -0.213 18824 10753 1 18 . 1 1 58 58 ARG N N 58 122.512 122.512 123.444 -0.932 18824 10754 1 18 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.753 -0.772 18824 10755 1 18 . 1 1 58 58 ARG C C 58 175.512 175.512 175.176 0.336 18824 10756 1 18 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.832 -0.663 18824 10757 1 18 . 1 1 58 58 ARG CB C 58 32.435 32.435 31.831 0.604 18824 10758 1 18 . 1 1 58 58 ARG H H 58 8.570 8.570 8.770 -0.200 18824 10759 1 18 . 1 1 59 59 LEU N N 59 126.506 126.506 129.539 -3.033 18824 10760 1 18 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.429 -0.370 18824 10761 1 18 . 1 1 59 59 LEU C C 59 174.420 174.420 175.799 -1.379 18824 10762 1 18 . 1 1 59 59 LEU CA C 59 55.179 55.179 54.936 0.243 18824 10763 1 18 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.405 0.070 18824 10764 1 18 . 1 1 59 59 LEU H H 59 7.917 7.917 8.867 -0.950 18824 10765 1 18 . 1 1 60 60 VAL N N 60 124.914 124.914 121.649 3.265 18824 10766 1 18 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.334 -0.424 18824 10767 1 18 . 1 1 60 60 VAL CA C 60 63.788 63.788 62.001 1.787 18824 10768 1 18 . 1 1 60 60 VAL CB C 60 32.805 32.805 32.820 -0.015 18824 10769 1 18 . 1 1 60 60 VAL H H 60 8.781 8.781 9.027 -0.246 18824 10770 1 18 . 1 1 61 61 GLU N N 61 112.868 112.868 120.161 -7.293 18824 10771 1 18 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.004 0.208 18824 10772 1 18 . 1 1 61 61 GLU C C 61 175.717 175.717 174.096 1.621 18824 10773 1 18 . 1 1 61 61 GLU CA C 61 54.186 54.186 55.342 -1.156 18824 10774 1 18 . 1 1 61 61 GLU CB C 61 34.458 34.458 34.252 0.206 18824 10775 1 18 . 1 1 61 61 GLU H H 61 7.332 7.332 7.980 -0.648 18824 10776 1 18 . 1 1 62 62 VAL N N 62 118.357 118.357 123.332 -4.975 18824 10777 1 18 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.619 -0.297 18824 10778 1 18 . 1 1 62 62 VAL C C 62 175.495 175.495 175.500 -0.005 18824 10779 1 18 . 1 1 62 62 VAL CA C 62 60.750 60.750 61.149 -0.399 18824 10780 1 18 . 1 1 62 62 VAL CB C 62 33.376 33.376 34.245 -0.869 18824 10781 1 18 . 1 1 62 62 VAL H H 62 8.342 8.342 8.834 -0.492 18824 10782 1 18 . 1 1 63 63 ASN N N 63 129.063 129.063 128.239 0.824 18824 10783 1 18 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.331 -0.152 18824 10784 1 18 . 1 1 63 63 ASN C C 63 175.051 175.051 175.217 -0.166 18824 10785 1 18 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.365 -0.721 18824 10786 1 18 . 1 1 63 63 ASN CB C 63 36.328 36.328 36.497 -0.169 18824 10787 1 18 . 1 1 63 63 ASN H H 63 9.830 9.830 9.447 0.383 18824 10788 1 18 . 1 1 64 64 GLY N N 64 103.346 103.346 103.880 -0.534 18824 10789 1 18 . 1 1 64 64 GLY C C 64 173.276 173.276 173.325 -0.049 18824 10790 1 18 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.035 0.008 18824 10791 1 18 . 1 1 64 64 GLY H H 64 9.222 9.222 9.029 0.193 18824 10792 1 18 . 1 1 65 65 GLU N N 65 119.230 119.230 122.159 -2.929 18824 10793 1 18 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.550 -0.061 18824 10794 1 18 . 1 1 65 65 GLU C C 65 174.745 174.745 174.884 -0.139 18824 10795 1 18 . 1 1 65 65 GLU CA C 65 53.691 53.691 54.273 -0.582 18824 10796 1 18 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.473 -1.671 18824 10797 1 18 . 1 1 65 65 GLU H H 65 7.553 7.553 7.580 -0.027 18824 10798 1 18 . 1 1 66 66 ASN N N 66 123.478 123.478 125.904 -2.426 18824 10799 1 18 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.770 -0.082 18824 10800 1 18 . 1 1 66 66 ASN C C 66 176.144 176.144 175.483 0.661 18824 10801 1 18 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.464 0.760 18824 10802 1 18 . 1 1 66 66 ASN CB C 66 39.589 39.589 39.050 0.539 18824 10803 1 18 . 1 1 66 66 ASN H H 66 8.865 8.865 8.915 -0.050 18824 10804 1 18 . 1 1 67 67 VAL N N 67 117.695 117.695 116.650 1.045 18824 10805 1 18 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.650 -0.147 18824 10806 1 18 . 1 1 67 67 VAL C C 67 177.475 177.475 176.693 0.782 18824 10807 1 18 . 1 1 67 67 VAL CA C 67 59.756 59.756 60.491 -0.735 18824 10808 1 18 . 1 1 67 67 VAL CB C 67 31.321 31.321 31.651 -0.330 18824 10809 1 18 . 1 1 67 67 VAL H H 67 8.210 8.210 8.700 -0.490 18824 10810 1 18 . 1 1 68 68 GLU N N 68 122.899 122.899 122.586 0.313 18824 10811 1 18 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.001 -0.080 18824 10812 1 18 . 1 1 68 68 GLU C C 68 177.348 177.348 176.743 0.605 18824 10813 1 18 . 1 1 68 68 GLU CA C 68 59.762 59.762 60.145 -0.383 18824 10814 1 18 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.345 1.865 18824 10815 1 18 . 1 1 68 68 GLU H H 68 8.427 8.427 7.962 0.465 18824 10816 1 18 . 1 1 69 69 LYS N N 69 113.848 113.848 113.205 0.643 18824 10817 1 18 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.962 -0.548 18824 10818 1 18 . 1 1 69 69 LYS C C 69 176.510 176.510 175.635 0.875 18824 10819 1 18 . 1 1 69 69 LYS CA C 69 54.675 54.675 54.792 -0.117 18824 10820 1 18 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.753 -0.991 18824 10821 1 18 . 1 1 69 69 LYS H H 69 8.576 8.576 7.974 0.602 18824 10822 1 18 . 1 1 70 70 GLU N N 70 119.980 119.980 121.368 -1.388 18824 10823 1 18 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.677 -0.316 18824 10824 1 18 . 1 1 70 70 GLU C C 70 176.831 176.831 176.280 0.551 18824 10825 1 18 . 1 1 70 70 GLU CA C 70 56.329 56.329 55.153 1.176 18824 10826 1 18 . 1 1 70 70 GLU CB C 70 31.293 31.293 31.522 -0.229 18824 10827 1 18 . 1 1 70 70 GLU H H 70 6.994 6.994 7.489 -0.495 18824 10828 1 18 . 1 1 71 71 THR N N 71 110.696 110.696 112.525 -1.829 18824 10829 1 18 . 1 1 71 71 THR HA H 71 4.270 4.270 4.584 -0.314 18824 10830 1 18 . 1 1 71 71 THR C C 71 174.812 174.812 175.431 -0.619 18824 10831 1 18 . 1 1 71 71 THR CA C 71 60.267 60.267 59.379 0.888 18824 10832 1 18 . 1 1 71 71 THR CB C 71 71.497 71.497 71.217 0.280 18824 10833 1 18 . 1 1 71 71 THR H H 71 8.675 8.675 8.796 -0.121 18824 10834 1 18 . 1 1 72 72 HIS N N 72 118.876 118.876 121.529 -2.653 18824 10835 1 18 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.252 -0.668 18824 10836 1 18 . 1 1 72 72 HIS C C 72 175.802 175.802 177.370 -1.568 18824 10837 1 18 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.282 -0.565 18824 10838 1 18 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.940 -1.656 18824 10839 1 18 . 1 1 72 72 HIS H H 72 9.171 9.171 8.902 0.269 18824 10840 1 18 . 1 1 73 73 GLN N N 73 115.563 115.563 117.691 -2.128 18824 10841 1 18 . 1 1 73 73 GLN HA H 73 3.769 3.769 3.992 -0.223 18824 10842 1 18 . 1 1 73 73 GLN C C 73 179.060 179.060 178.650 0.410 18824 10843 1 18 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.606 -0.863 18824 10844 1 18 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.277 -0.484 18824 10845 1 18 . 1 1 73 73 GLN H H 73 8.666 8.666 8.853 -0.187 18824 10846 1 18 . 1 1 74 74 GLN N N 74 119.687 119.687 119.141 0.546 18824 10847 1 18 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.024 -0.187 18824 10848 1 18 . 1 1 74 74 GLN C C 74 179.309 179.309 178.800 0.509 18824 10849 1 18 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.904 -0.181 18824 10850 1 18 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.918 -0.164 18824 10851 1 18 . 1 1 74 74 GLN H H 74 7.614 7.614 7.714 -0.100 18824 10852 1 18 . 1 1 75 75 VAL N N 75 120.633 120.633 120.090 0.543 18824 10853 1 18 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.495 -0.171 18824 10854 1 18 . 1 1 75 75 VAL C C 75 178.031 178.031 177.819 0.212 18824 10855 1 18 . 1 1 75 75 VAL CA C 75 67.423 67.423 66.438 0.985 18824 10856 1 18 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.521 -0.452 18824 10857 1 18 . 1 1 75 75 VAL H H 75 8.289 8.289 8.036 0.253 18824 10858 1 18 . 1 1 76 76 VAL N N 76 118.966 118.966 119.293 -0.327 18824 10859 1 18 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.549 -0.221 18824 10860 1 18 . 1 1 76 76 VAL C C 76 178.739 178.739 178.236 0.503 18824 10861 1 18 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.117 0.742 18824 10862 1 18 . 1 1 76 76 VAL CB C 76 30.847 30.847 30.747 0.100 18824 10863 1 18 . 1 1 76 76 VAL H H 76 8.364 8.364 8.344 0.020 18824 10864 1 18 . 1 1 77 77 SER N N 77 115.158 115.158 114.943 0.215 18824 10865 1 18 . 1 1 77 77 SER HA H 77 3.994 3.994 4.184 -0.190 18824 10866 1 18 . 1 1 77 77 SER C C 77 176.849 176.849 176.849 0.000 18824 10867 1 18 . 1 1 77 77 SER CA C 77 62.162 62.162 61.798 0.364 18824 10868 1 18 . 1 1 77 77 SER CB C 77 62.232 62.232 62.909 -0.677 18824 10869 1 18 . 1 1 77 77 SER H H 77 7.871 7.871 7.966 -0.095 18824 10870 1 18 . 1 1 78 78 ARG N N 78 121.310 121.310 121.123 0.187 18824 10871 1 18 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.069 -0.147 18824 10872 1 18 . 1 1 78 78 ARG C C 78 179.309 179.309 178.702 0.607 18824 10873 1 18 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.748 0.001 18824 10874 1 18 . 1 1 78 78 ARG CB C 78 30.279 30.279 29.931 0.348 18824 10875 1 18 . 1 1 78 78 ARG H H 78 7.469 7.469 7.493 -0.024 18824 10876 1 18 . 1 1 79 79 ILE N N 79 119.383 119.383 119.364 0.019 18824 10877 1 18 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.811 -0.408 18824 10878 1 18 . 1 1 79 79 ILE C C 79 178.364 178.364 177.793 0.571 18824 10879 1 18 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.052 0.238 18824 10880 1 18 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.605 -0.381 18824 10881 1 18 . 1 1 79 79 ILE H H 79 7.759 7.759 7.658 0.101 18824 10882 1 18 . 1 1 80 80 ARG N N 80 119.497 119.497 118.287 1.210 18824 10883 1 18 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.157 -0.179 18824 10884 1 18 . 1 1 80 80 ARG C C 80 177.544 177.544 177.147 0.397 18824 10885 1 18 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.987 0.743 18824 10886 1 18 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.456 0.372 18824 10887 1 18 . 1 1 80 80 ARG H H 80 8.407 8.407 7.503 0.904 18824 10888 1 18 . 1 1 81 81 ALA N N 81 118.814 118.814 120.182 -1.368 18824 10889 1 18 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.278 -0.217 18824 10890 1 18 . 1 1 81 81 ALA C C 81 177.473 177.473 177.466 0.007 18824 10891 1 18 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.889 -0.083 18824 10892 1 18 . 1 1 81 81 ALA CB C 81 18.604 18.604 19.032 -0.428 18824 10893 1 18 . 1 1 81 81 ALA H H 81 7.392 7.392 7.570 -0.178 18824 10894 1 18 . 1 1 82 82 ALA N N 82 121.771 121.771 121.350 0.421 18824 10895 1 18 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.239 0.071 18824 10896 1 18 . 1 1 82 82 ALA C C 82 177.384 177.384 177.287 0.097 18824 10897 1 18 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.121 -0.517 18824 10898 1 18 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.064 -1.474 18824 10899 1 18 . 1 1 82 82 ALA H H 82 7.182 7.182 7.234 -0.052 18824 10900 1 18 . 1 1 83 83 LEU N N 83 122.357 122.357 123.394 -1.037 18824 10901 1 18 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.177 -0.186 18824 10902 1 18 . 1 1 83 83 LEU C C 83 177.366 177.366 177.969 -0.603 18824 10903 1 18 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.186 -0.209 18824 10904 1 18 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.187 -1.201 18824 10905 1 18 . 1 1 83 83 LEU H H 83 8.171 8.171 8.611 -0.440 18824 10906 1 18 . 1 1 84 84 ASN N N 84 114.897 114.897 112.837 2.060 18824 10907 1 18 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.726 -0.108 18824 10908 1 18 . 1 1 84 84 ASN C C 84 173.651 173.651 173.605 0.046 18824 10909 1 18 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.298 0.896 18824 10910 1 18 . 1 1 84 84 ASN CB C 84 39.903 39.903 41.037 -1.134 18824 10911 1 18 . 1 1 84 84 ASN H H 84 8.565 8.565 8.451 0.114 18824 10912 1 18 . 1 1 85 85 ALA N N 85 124.026 124.026 121.730 2.296 18824 10913 1 18 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.195 -0.124 18824 10914 1 18 . 1 1 85 85 ALA C C 85 175.751 175.751 174.656 1.095 18824 10915 1 18 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.495 0.615 18824 10916 1 18 . 1 1 85 85 ALA CB C 85 21.156 21.156 22.214 -1.058 18824 10917 1 18 . 1 1 85 85 ALA H H 85 7.808 7.808 7.520 0.288 18824 10918 1 18 . 1 1 86 86 VAL N N 86 116.130 116.130 119.113 -2.983 18824 10919 1 18 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.556 0.036 18824 10920 1 18 . 1 1 86 86 VAL C C 86 171.876 171.876 173.850 -1.974 18824 10921 1 18 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.873 -0.125 18824 10922 1 18 . 1 1 86 86 VAL CB C 86 34.893 34.893 36.291 -1.397 18824 10923 1 18 . 1 1 86 86 VAL H H 86 8.432 8.432 9.072 -0.640 18824 10924 1 18 . 1 1 87 87 ARG N N 87 124.913 124.913 127.195 -2.282 18824 10925 1 18 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.683 0.315 18824 10926 1 18 . 1 1 87 87 ARG C C 87 175.316 175.316 174.730 0.586 18824 10927 1 18 . 1 1 87 87 ARG CA C 87 53.991 53.991 54.814 -0.823 18824 10928 1 18 . 1 1 87 87 ARG CB C 87 31.805 31.805 30.979 0.826 18824 10929 1 18 . 1 1 87 87 ARG H H 87 8.255 8.255 9.414 -1.159 18824 10930 1 18 . 1 1 88 88 LEU N N 88 125.141 125.141 125.533 -0.392 18824 10931 1 18 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.839 0.111 18824 10932 1 18 . 1 1 88 88 LEU C C 88 173.836 173.836 174.863 -1.027 18824 10933 1 18 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.476 -1.095 18824 10934 1 18 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.754 -0.802 18824 10935 1 18 . 1 1 88 88 LEU H H 88 9.041 9.041 9.037 0.005 18824 10936 1 18 . 1 1 89 89 LEU N N 89 126.927 126.927 127.618 -0.691 18824 10937 1 18 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.952 0.225 18824 10938 1 18 . 1 1 89 89 LEU C C 89 175.726 175.726 174.901 0.825 18824 10939 1 18 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.471 0.238 18824 10940 1 18 . 1 1 89 89 LEU CB C 89 43.514 43.514 43.919 -0.405 18824 10941 1 18 . 1 1 89 89 LEU H H 89 8.484 8.484 8.673 -0.189 18824 10942 1 18 . 1 1 90 90 VAL N N 90 119.770 119.770 121.513 -1.743 18824 10943 1 18 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.324 0.114 18824 10944 1 18 . 1 1 90 90 VAL C C 90 174.157 174.157 173.495 0.662 18824 10945 1 18 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.808 -0.837 18824 10946 1 18 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.611 1.245 18824 10947 1 18 . 1 1 90 90 VAL H H 90 9.001 9.001 7.737 1.264 18824 10948 1 18 . 1 1 91 91 VAL N N 91 112.698 112.698 119.855 -7.157 18824 10949 1 18 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.519 0.190 18824 10950 1 18 . 1 1 91 91 VAL C C 91 173.993 173.993 174.032 -0.039 18824 10951 1 18 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.194 -0.211 18824 10952 1 18 . 1 1 91 91 VAL CB C 91 35.466 35.466 35.734 -0.268 18824 10953 1 18 . 1 1 91 91 VAL H H 91 8.011 8.011 8.624 -0.613 18824 10954 1 18 . 1 1 92 92 ASP N N 92 127.066 127.066 129.707 -2.641 18824 10955 1 18 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.957 0.049 18824 10956 1 18 . 1 1 92 92 ASP CA C 92 53.078 53.078 55.018 -1.940 18824 10957 1 18 . 1 1 92 92 ASP CB C 92 39.764 39.764 40.491 -0.727 18824 10958 1 18 . 1 1 92 92 ASP H H 92 7.878 7.878 9.044 -1.166 18824 10959 1 18 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.228 0.175 18824 10960 1 18 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.854 0.010 18824 10961 1 18 . 1 1 93 93 PRO CB C 93 32.221 32.221 32.131 0.090 18824 10962 1 18 . 1 1 94 94 GLU N N 94 119.504 119.504 117.513 1.991 18824 10963 1 18 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.122 -0.072 18824 10964 1 18 . 1 1 94 94 GLU C C 94 179.182 179.182 178.555 0.627 18824 10965 1 18 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.413 -0.195 18824 10966 1 18 . 1 1 94 94 GLU CB C 94 28.950 28.950 28.195 0.755 18824 10967 1 18 . 1 1 94 94 GLU H H 94 8.156 8.156 8.815 -0.659 18824 10968 1 18 . 1 1 95 95 THR N N 95 120.651 120.651 115.845 4.806 18824 10969 1 18 . 1 1 95 95 THR HA H 95 3.751 3.751 4.070 -0.319 18824 10970 1 18 . 1 1 95 95 THR C C 95 175.888 175.888 176.455 -0.567 18824 10971 1 18 . 1 1 95 95 THR CA C 95 65.764 65.764 65.733 0.031 18824 10972 1 18 . 1 1 95 95 THR CB C 95 67.338 67.338 68.558 -1.220 18824 10973 1 18 . 1 1 95 95 THR H H 95 8.315 8.315 7.840 0.475 18824 10974 1 18 . 1 1 96 96 ASP N N 96 120.554 120.554 122.443 -1.889 18824 10975 1 18 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.255 -0.022 18824 10976 1 18 . 1 1 96 96 ASP C C 96 178.275 178.275 178.088 0.187 18824 10977 1 18 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.959 -1.738 18824 10978 1 18 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.723 0.315 18824 10979 1 18 . 1 1 96 96 ASP H H 96 8.381 8.381 8.753 -0.372 18824 10980 1 18 . 1 1 97 97 GLU N N 97 117.457 117.457 118.300 -0.843 18824 10981 1 18 . 1 1 97 97 GLU HA H 97 3.865 3.865 4.016 -0.151 18824 10982 1 18 . 1 1 97 97 GLU C C 97 178.790 178.790 178.834 -0.044 18824 10983 1 18 . 1 1 97 97 GLU CA C 97 59.209 59.209 58.940 0.269 18824 10984 1 18 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.617 -0.571 18824 10985 1 18 . 1 1 97 97 GLU H H 97 7.727 7.727 7.784 -0.057 18824 10986 1 18 . 1 1 98 98 GLN N N 98 118.704 118.704 117.963 0.741 18824 10987 1 18 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.146 -0.172 18824 10988 1 18 . 1 1 98 98 GLN C C 98 178.756 178.756 178.550 0.206 18824 10989 1 18 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.184 0.056 18824 10990 1 18 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.721 -0.789 18824 10991 1 18 . 1 1 98 98 GLN H H 98 7.733 7.733 7.496 0.237 18824 10992 1 18 . 1 1 99 99 LEU N N 99 119.242 119.242 121.744 -2.502 18824 10993 1 18 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.796 0.118 18824 10994 1 18 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.352 0.367 18824 10995 1 18 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.466 -1.583 18824 10996 1 18 . 1 1 99 99 LEU H H 99 8.494 8.494 8.467 0.027 18824 10997 1 18 . 1 1 100 100 GLN N N 100 118.689 118.689 117.680 1.009 18824 10998 1 18 . 1 1 100 100 GLN HA H 100 3.964 3.964 3.931 0.033 18824 10999 1 18 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.587 0.047 18824 11000 1 18 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.201 -0.483 18824 11001 1 18 . 1 1 100 100 GLN H H 100 8.202 8.202 8.140 0.062 18824 11002 1 18 . 1 1 101 101 LYS N N 101 120.369 120.369 116.018 4.351 18824 11003 1 18 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.154 -0.220 18824 11004 1 18 . 1 1 101 101 LYS CA C 101 58.742 58.742 57.548 1.194 18824 11005 1 18 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.115 -0.255 18824 11006 1 18 . 1 1 101 101 LYS H H 101 7.783 7.783 7.542 0.241 18824 11007 1 18 . 1 1 102 102 LEU N N 102 117.862 117.862 119.285 -1.423 18824 11008 1 18 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.197 -0.040 18824 11009 1 18 . 1 1 102 102 LEU C C 102 177.526 177.526 177.605 -0.079 18824 11010 1 18 . 1 1 102 102 LEU CA C 102 55.174 55.174 55.407 -0.233 18824 11011 1 18 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.688 0.278 18824 11012 1 18 . 1 1 102 102 LEU H H 102 7.512 7.512 7.546 -0.034 18824 11013 1 18 . 1 1 103 103 GLY N N 103 108.863 108.863 105.517 3.346 18824 11014 1 18 . 1 1 103 103 GLY C C 103 174.353 174.353 174.133 0.220 18824 11015 1 18 . 1 1 103 103 GLY CA C 103 45.565 45.565 45.325 0.240 18824 11016 1 18 . 1 1 103 103 GLY H H 103 7.851 7.851 7.862 -0.011 18824 11017 1 18 . 1 1 104 104 VAL N N 104 120.506 120.506 119.878 0.628 18824 11018 1 18 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.321 -0.469 18824 11019 1 18 . 1 1 104 104 VAL CA C 104 61.751 61.751 60.808 0.943 18824 11020 1 18 . 1 1 104 104 VAL CB C 104 32.824 32.824 30.147 2.677 18824 11021 1 18 . 1 1 104 104 VAL H H 104 7.726 7.726 8.651 -0.925 18824 11022 1 18 . 1 1 105 105 GLN N N 105 124.776 124.776 120.393 4.383 18824 11023 1 18 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.246 -0.139 18824 11024 1 18 . 1 1 105 105 GLN CA C 105 55.170 55.170 57.248 -2.078 18824 11025 1 18 . 1 1 105 105 GLN CB C 105 28.783 28.783 28.229 0.554 18824 11026 1 18 . 1 1 105 105 GLN H H 105 8.245 8.245 8.023 0.222 18824 11027 1 18 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.798 -0.337 18824 11028 1 18 . 1 1 106 106 VAL C C 106 179.182 179.182 176.454 2.728 18824 11029 1 18 . 1 1 106 106 VAL CA C 106 64.553 64.553 64.537 0.016 18824 11030 1 18 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.284 -0.975 18824 11031 1 18 . 1 1 106 106 VAL H H 106 8.504 8.504 7.959 0.545 18824 11032 1 18 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.019 0.221 18824 11033 1 18 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.192 -0.573 18824 11034 1 18 . 1 1 108 108 GLU CA C 108 59.746 59.746 57.289 2.457 18824 11035 1 18 . 1 1 108 108 GLU CB C 108 29.234 29.234 30.219 -0.985 18824 11036 1 18 . 1 1 108 108 GLU H H 108 8.690 8.690 7.676 1.014 18824 11037 1 18 . 1 1 110 110 LEU HA H 110 4.042 4.042 3.967 0.075 18824 11038 1 18 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.257 -0.897 18824 11039 1 18 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.664 0.456 18824 11040 1 18 . 1 1 111 111 LEU N N 111 116.974 116.974 117.227 -0.253 18824 11041 1 18 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.051 0.032 18824 11042 1 18 . 1 1 111 111 LEU C C 111 177.598 177.598 178.509 -0.911 18824 11043 1 18 . 1 1 111 111 LEU CA C 111 55.628 55.628 57.187 -1.559 18824 11044 1 18 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.448 -0.471 18824 11045 1 18 . 1 1 111 111 LEU H H 111 7.791 7.791 7.315 0.476 18824 11046 1 18 . 1 1 112 112 ARG N N 112 119.231 119.231 117.895 1.336 18824 11047 1 18 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.111 0.041 18824 11048 1 18 . 1 1 112 112 ARG C C 112 176.246 176.246 176.075 0.171 18824 11049 1 18 . 1 1 112 112 ARG CA C 112 56.180 56.180 56.983 -0.803 18824 11050 1 18 . 1 1 112 112 ARG CB C 112 30.340 30.340 30.364 -0.024 18824 11051 1 18 . 1 1 112 112 ARG H H 112 7.528 7.528 7.530 -0.002 18824 11052 1 18 . 1 1 113 113 ALA N N 113 123.896 123.896 119.660 4.236 18824 11053 1 18 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.065 0.074 18824 11054 1 18 . 1 1 113 113 ALA C C 113 177.783 177.783 177.394 0.389 18824 11055 1 18 . 1 1 113 113 ALA CA C 113 52.649 52.649 52.328 0.321 18824 11056 1 18 . 1 1 113 113 ALA CB C 113 18.618 18.618 16.770 1.849 18824 11057 1 18 . 1 1 113 113 ALA H H 113 7.954 7.954 7.355 0.599 18824 11058 1 18 . 1 1 114 114 GLN N N 114 118.555 118.555 116.194 2.361 18824 11059 1 18 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.150 0.009 18824 11060 1 18 . 1 1 114 114 GLN C C 114 175.815 175.815 175.036 0.779 18824 11061 1 18 . 1 1 114 114 GLN CA C 114 55.551 55.551 56.973 -1.422 18824 11062 1 18 . 1 1 114 114 GLN CB C 114 29.023 29.023 28.724 0.299 18824 11063 1 18 . 1 1 114 114 GLN H H 114 8.121 8.121 8.541 -0.420 18824 11064 1 18 . 1 1 115 115 GLU N N 115 121.589 121.589 119.827 1.762 18824 11065 1 18 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.409 -0.279 18824 11066 1 18 . 1 1 115 115 GLU C C 115 175.637 175.637 175.892 -0.255 18824 11067 1 18 . 1 1 115 115 GLU CA C 115 55.779 55.779 55.769 0.010 18824 11068 1 18 . 1 1 115 115 GLU CB C 115 30.038 30.038 30.620 -0.583 18824 11069 1 18 . 1 1 115 115 GLU H H 115 8.164 8.164 7.853 0.311 18824 11070 1 18 . 1 1 116 116 ALA N N 116 126.435 126.435 124.753 1.682 18824 11071 1 18 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.172 0.287 18824 11072 1 18 . 1 1 116 116 ALA CA C 116 50.094 50.094 51.765 -1.671 18824 11073 1 18 . 1 1 116 116 ALA CB C 116 17.622 17.622 18.147 -0.525 18824 11074 1 18 . 1 1 116 116 ALA H H 116 8.266 8.266 8.237 0.029 18824 11075 1 18 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.527 -0.223 18824 11076 1 18 . 1 1 117 117 PRO C C 117 177.580 177.580 177.262 0.318 18824 11077 1 18 . 1 1 117 117 PRO CA C 117 62.789 62.789 62.602 0.187 18824 11078 1 18 . 1 1 117 117 PRO CB C 117 31.812 31.812 32.167 -0.355 18824 11079 1 18 . 1 1 118 118 GLY N N 118 109.304 109.304 113.225 -3.921 18824 11080 1 18 . 1 1 118 118 GLY C C 118 173.872 173.872 175.267 -1.395 18824 11081 1 18 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.893 -0.879 18824 11082 1 18 . 1 1 118 118 GLY H H 118 8.425 8.425 8.677 -0.252 18824 11083 1 18 . 1 1 119 119 GLN N N 119 120.070 120.070 119.560 0.510 18824 11084 1 18 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.751 -0.537 18824 11085 1 18 . 1 1 119 119 GLN C C 119 174.692 174.692 176.142 -1.450 18824 11086 1 18 . 1 1 119 119 GLN CA C 119 55.442 55.442 56.818 -1.376 18824 11087 1 18 . 1 1 119 119 GLN CB C 119 29.308 29.308 29.488 -0.180 18824 11088 1 18 . 1 1 119 119 GLN H H 119 8.081 8.081 8.473 -0.392 18824 11089 1 19 . 1 1 5 5 ILE N N 5 119.691 119.691 121.320 -1.629 18824 11090 1 19 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.234 -0.176 18824 11091 1 19 . 1 1 5 5 ILE C C 5 175.649 175.649 175.937 -0.288 18824 11092 1 19 . 1 1 5 5 ILE CA C 5 60.596 60.596 60.610 -0.014 18824 11093 1 19 . 1 1 5 5 ILE CB C 5 38.674 38.674 38.612 0.062 18824 11094 1 19 . 1 1 5 5 ILE H H 5 8.370 8.370 8.172 0.198 18824 11095 1 19 . 1 1 6 6 ASP N N 6 126.564 126.564 128.636 -2.072 18824 11096 1 19 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.739 -0.049 18824 11097 1 19 . 1 1 6 6 ASP CA C 6 52.261 52.261 52.991 -0.730 18824 11098 1 19 . 1 1 6 6 ASP CB C 6 40.555 40.555 41.414 -0.859 18824 11099 1 19 . 1 1 6 6 ASP H H 6 8.373 8.373 8.510 -0.137 18824 11100 1 19 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.223 -0.063 18824 11101 1 19 . 1 1 7 7 PRO C C 7 176.417 176.417 175.907 0.510 18824 11102 1 19 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.847 -0.796 18824 11103 1 19 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.343 -0.663 18824 11104 1 19 . 1 1 8 8 PHE N N 8 117.858 117.858 115.746 2.112 18824 11105 1 19 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.713 -0.169 18824 11106 1 19 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.513 -0.260 18824 11107 1 19 . 1 1 8 8 PHE CB C 8 38.444 38.444 41.833 -3.389 18824 11108 1 19 . 1 1 8 8 PHE H H 8 7.974 7.974 7.554 0.420 18824 11109 1 19 . 1 1 9 9 THR N N 9 112.459 112.459 117.571 -5.112 18824 11110 1 19 . 1 1 9 9 THR HA H 9 4.338 4.338 4.579 -0.241 18824 11111 1 19 . 1 1 9 9 THR C C 9 175.888 175.888 173.512 2.376 18824 11112 1 19 . 1 1 9 9 THR CA C 9 60.827 60.827 62.018 -1.191 18824 11113 1 19 . 1 1 9 9 THR CB C 9 69.387 69.387 69.738 -0.351 18824 11114 1 19 . 1 1 9 9 THR H H 9 7.927 7.927 8.484 -0.557 18824 11115 1 19 . 1 1 10 10 MET N N 10 121.338 121.338 124.456 -3.118 18824 11116 1 19 . 1 1 10 10 MET HA H 10 4.310 4.310 4.263 0.047 18824 11117 1 19 . 1 1 10 10 MET C C 10 174.386 174.386 174.189 0.197 18824 11118 1 19 . 1 1 10 10 MET CA C 10 52.415 52.415 55.301 -2.886 18824 11119 1 19 . 1 1 10 10 MET H H 10 7.648 7.648 8.605 -0.957 18824 11120 1 19 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.902 -0.212 18824 11121 1 19 . 1 1 11 11 LEU CA C 11 52.606 52.606 52.661 -0.055 18824 11122 1 19 . 1 1 11 11 LEU CB C 11 44.079 44.079 41.558 2.521 18824 11123 1 19 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.528 0.089 18824 11124 1 19 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.840 -0.575 18824 11125 1 19 . 1 1 12 12 PRO CB C 12 31.826 31.826 33.078 -1.252 18824 11126 1 19 . 1 1 13 13 ARG N N 13 118.005 118.005 118.092 -0.087 18824 11127 1 19 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.579 -0.195 18824 11128 1 19 . 1 1 13 13 ARG C C 13 173.498 173.498 174.887 -1.389 18824 11129 1 19 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.948 -0.273 18824 11130 1 19 . 1 1 13 13 ARG CB C 13 32.565 32.565 33.430 -0.865 18824 11131 1 19 . 1 1 13 13 ARG H H 13 8.484 8.484 8.461 0.023 18824 11132 1 19 . 1 1 14 14 LEU N N 14 124.897 124.897 124.515 0.382 18824 11133 1 19 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.382 0.486 18824 11134 1 19 . 1 1 14 14 LEU C C 14 176.144 176.144 176.142 0.002 18824 11135 1 19 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.675 -1.628 18824 11136 1 19 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.728 0.229 18824 11137 1 19 . 1 1 14 14 LEU H H 14 8.520 8.520 8.524 -0.004 18824 11138 1 19 . 1 1 15 15 CYS N N 15 127.167 127.167 128.171 -1.004 18824 11139 1 19 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.604 -0.013 18824 11140 1 19 . 1 1 15 15 CYS C C 15 173.408 173.408 174.019 -0.611 18824 11141 1 19 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.334 -0.880 18824 11142 1 19 . 1 1 15 15 CYS CB C 15 29.325 29.325 27.747 1.577 18824 11143 1 19 . 1 1 15 15 CYS H H 15 9.247 9.247 9.053 0.194 18824 11144 1 19 . 1 1 16 16 CYS N N 16 125.133 125.133 126.122 -0.989 18824 11145 1 19 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.453 -0.717 18824 11146 1 19 . 1 1 16 16 CYS C C 16 172.784 172.784 174.371 -1.587 18824 11147 1 19 . 1 1 16 16 CYS CA C 16 58.040 58.040 55.928 2.112 18824 11148 1 19 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.120 0.122 18824 11149 1 19 . 1 1 16 16 CYS H H 16 9.049 9.049 8.848 0.201 18824 11150 1 19 . 1 1 17 17 LEU N N 17 124.624 124.624 122.984 1.640 18824 11151 1 19 . 1 1 17 17 LEU HA H 17 4.652 4.652 5.006 -0.354 18824 11152 1 19 . 1 1 17 17 LEU C C 17 175.672 175.672 175.557 0.115 18824 11153 1 19 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.500 1.724 18824 11154 1 19 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.757 -0.715 18824 11155 1 19 . 1 1 17 17 LEU H H 17 8.750 8.750 8.157 0.593 18824 11156 1 19 . 1 1 18 18 GLU N N 18 121.610 121.610 119.713 1.897 18824 11157 1 19 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.738 0.022 18824 11158 1 19 . 1 1 18 18 GLU C C 18 175.548 175.548 176.031 -0.483 18824 11159 1 19 . 1 1 18 18 GLU CA C 18 54.861 54.861 54.909 -0.048 18824 11160 1 19 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.978 -0.666 18824 11161 1 19 . 1 1 18 18 GLU H H 18 8.304 8.304 8.617 -0.313 18824 11162 1 19 . 1 1 19 19 LYS N N 19 123.922 123.922 125.717 -1.795 18824 11163 1 19 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.583 -0.473 18824 11164 1 19 . 1 1 19 19 LYS C C 19 176.635 176.635 176.355 0.280 18824 11165 1 19 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.306 2.182 18824 11166 1 19 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.448 -0.123 18824 11167 1 19 . 1 1 19 19 LYS H H 19 8.131 8.131 8.606 -0.475 18824 11168 1 19 . 1 1 20 20 GLY N N 20 112.282 112.282 115.138 -2.856 18824 11169 1 19 . 1 1 20 20 GLY CA C 20 44.045 44.045 44.101 -0.056 18824 11170 1 19 . 1 1 20 20 GLY H H 20 6.955 6.955 8.809 -1.854 18824 11171 1 19 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.359 -0.182 18824 11172 1 19 . 1 1 21 21 PRO C C 21 177.081 177.081 176.266 0.815 18824 11173 1 19 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.642 -0.320 18824 11174 1 19 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.664 -0.083 18824 11175 1 19 . 1 1 22 22 ASN N N 22 114.637 114.637 116.880 -2.243 18824 11176 1 19 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.848 0.071 18824 11177 1 19 . 1 1 22 22 ASN C C 22 175.102 175.102 175.213 -0.111 18824 11178 1 19 . 1 1 22 22 ASN CA C 22 51.618 51.618 52.686 -1.068 18824 11179 1 19 . 1 1 22 22 ASN CB C 22 38.930 38.930 38.882 0.048 18824 11180 1 19 . 1 1 22 22 ASN H H 22 8.462 8.462 7.758 0.704 18824 11181 1 19 . 1 1 23 23 GLY N N 23 107.193 107.193 108.867 -1.674 18824 11182 1 19 . 1 1 23 23 GLY C C 23 174.932 174.932 173.637 1.295 18824 11183 1 19 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.927 -1.501 18824 11184 1 19 . 1 1 23 23 GLY H H 23 7.499 7.499 7.710 -0.211 18824 11185 1 19 . 1 1 24 24 TYR N N 24 119.910 119.910 122.937 -3.027 18824 11186 1 19 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.949 -0.640 18824 11187 1 19 . 1 1 24 24 TYR C C 24 177.188 177.188 175.870 1.318 18824 11188 1 19 . 1 1 24 24 TYR CA C 24 60.745 60.745 57.521 3.224 18824 11189 1 19 . 1 1 24 24 TYR CB C 24 40.447 40.447 41.198 -0.751 18824 11190 1 19 . 1 1 24 24 TYR H H 24 8.894 8.894 8.326 0.568 18824 11191 1 19 . 1 1 25 25 GLY N N 25 104.016 104.016 105.957 -1.941 18824 11192 1 19 . 1 1 25 25 GLY C C 25 173.020 173.020 173.193 -0.173 18824 11193 1 19 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.378 0.143 18824 11194 1 19 . 1 1 25 25 GLY H H 25 8.394 8.394 8.415 -0.021 18824 11195 1 19 . 1 1 26 26 PHE N N 26 110.891 110.891 117.252 -6.361 18824 11196 1 19 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.870 -0.231 18824 11197 1 19 . 1 1 26 26 PHE C C 26 172.250 172.250 173.182 -0.932 18824 11198 1 19 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.735 -0.629 18824 11199 1 19 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.904 -0.214 18824 11200 1 19 . 1 1 26 26 PHE H H 26 6.711 6.711 7.494 -0.783 18824 11201 1 19 . 1 1 27 27 HIS N N 27 118.261 118.261 119.762 -1.501 18824 11202 1 19 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.782 0.002 18824 11203 1 19 . 1 1 27 27 HIS C C 27 174.659 174.659 173.786 0.873 18824 11204 1 19 . 1 1 27 27 HIS CA C 27 54.557 54.557 54.782 -0.225 18824 11205 1 19 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.377 -0.533 18824 11206 1 19 . 1 1 27 27 HIS H H 27 7.964 7.964 9.199 -1.235 18824 11207 1 19 . 1 1 28 28 LEU N N 28 125.694 125.694 121.548 4.146 18824 11208 1 19 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.361 0.124 18824 11209 1 19 . 1 1 28 28 LEU C C 28 176.849 176.849 176.904 -0.055 18824 11210 1 19 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.896 -0.233 18824 11211 1 19 . 1 1 28 28 LEU CB C 28 45.031 45.031 45.211 -0.180 18824 11212 1 19 . 1 1 28 28 LEU H H 28 9.554 9.554 8.655 0.899 18824 11213 1 19 . 1 1 29 29 HIS N N 29 119.263 119.263 117.505 1.758 18824 11214 1 19 . 1 1 29 29 HIS HA H 29 4.761 4.761 4.990 -0.229 18824 11215 1 19 . 1 1 29 29 HIS C C 29 173.447 173.447 173.940 -0.493 18824 11216 1 19 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.866 1.925 18824 11217 1 19 . 1 1 29 29 HIS CB C 29 32.836 32.836 32.790 0.046 18824 11218 1 19 . 1 1 29 29 HIS H H 29 9.625 9.625 9.607 0.018 18824 11219 1 19 . 1 1 30 30 GLY N N 30 110.254 110.254 110.130 0.124 18824 11220 1 19 . 1 1 30 30 GLY C C 30 172.917 172.917 173.952 -1.035 18824 11221 1 19 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.035 -0.052 18824 11222 1 19 . 1 1 30 30 GLY H H 30 8.403 8.403 8.563 -0.160 18824 11223 1 19 . 1 1 31 31 GLU N N 31 119.753 119.753 123.529 -3.776 18824 11224 1 19 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.042 0.241 18824 11225 1 19 . 1 1 31 31 GLU C C 31 175.939 175.939 176.420 -0.481 18824 11226 1 19 . 1 1 31 31 GLU CA C 31 54.431 54.431 56.665 -2.234 18824 11227 1 19 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.475 1.868 18824 11228 1 19 . 1 1 31 31 GLU H H 31 9.060 9.060 8.691 0.369 18824 11229 1 19 . 1 1 32 32 LYS N N 32 124.046 124.046 123.473 0.573 18824 11230 1 19 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.094 -0.180 18824 11231 1 19 . 1 1 32 32 LYS C C 32 177.776 177.776 177.925 -0.149 18824 11232 1 19 . 1 1 32 32 LYS CA C 32 57.714 57.714 57.504 0.210 18824 11233 1 19 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.356 -0.525 18824 11234 1 19 . 1 1 32 32 LYS H H 32 8.424 8.424 8.532 -0.108 18824 11235 1 19 . 1 1 33 33 GLY N N 33 113.177 113.177 112.605 0.572 18824 11236 1 19 . 1 1 33 33 GLY C C 33 173.408 173.408 174.103 -0.695 18824 11237 1 19 . 1 1 33 33 GLY CA C 33 45.033 45.033 45.032 0.001 18824 11238 1 19 . 1 1 33 33 GLY H H 33 8.856 8.856 8.572 0.284 18824 11239 1 19 . 1 1 34 34 LYS N N 34 118.719 118.719 120.176 -1.457 18824 11240 1 19 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.600 0.040 18824 11241 1 19 . 1 1 34 34 LYS C C 34 176.528 176.528 176.257 0.271 18824 11242 1 19 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.444 -0.887 18824 11243 1 19 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.842 1.021 18824 11244 1 19 . 1 1 34 34 LYS H H 34 7.790 7.790 7.663 0.127 18824 11245 1 19 . 1 1 35 35 LEU N N 35 124.084 124.084 116.706 7.378 18824 11246 1 19 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.757 -0.272 18824 11247 1 19 . 1 1 35 35 LEU C C 35 177.646 177.646 176.067 1.579 18824 11248 1 19 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.019 0.643 18824 11249 1 19 . 1 1 35 35 LEU CB C 35 42.676 42.676 42.150 0.526 18824 11250 1 19 . 1 1 35 35 LEU H H 35 8.759 8.759 8.546 0.213 18824 11251 1 19 . 1 1 36 36 GLY N N 36 110.962 110.962 106.421 4.541 18824 11252 1 19 . 1 1 36 36 GLY C C 36 173.070 173.070 172.607 0.463 18824 11253 1 19 . 1 1 36 36 GLY CA C 36 44.526 44.526 44.382 0.144 18824 11254 1 19 . 1 1 36 36 GLY H H 36 8.533 8.533 7.576 0.957 18824 11255 1 19 . 1 1 37 37 GLN N N 37 117.136 117.136 118.784 -1.648 18824 11256 1 19 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.853 -0.364 18824 11257 1 19 . 1 1 37 37 GLN C C 37 173.925 173.925 174.807 -0.882 18824 11258 1 19 . 1 1 37 37 GLN CA C 37 53.806 53.806 54.189 -0.383 18824 11259 1 19 . 1 1 37 37 GLN CB C 37 31.843 31.843 30.956 0.887 18824 11260 1 19 . 1 1 37 37 GLN H H 37 8.885 8.885 8.420 0.465 18824 11261 1 19 . 1 1 38 38 TYR N N 38 119.053 119.053 120.894 -1.841 18824 11262 1 19 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.054 0.141 18824 11263 1 19 . 1 1 38 38 TYR C C 38 176.110 176.110 175.796 0.314 18824 11264 1 19 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.361 -1.131 18824 11265 1 19 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.353 -0.372 18824 11266 1 19 . 1 1 38 38 TYR H H 38 8.719 8.719 9.333 -0.614 18824 11267 1 19 . 1 1 39 39 ILE N N 39 120.624 120.624 122.044 -1.420 18824 11268 1 19 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.298 -0.048 18824 11269 1 19 . 1 1 39 39 ILE C C 39 175.797 175.797 176.352 -0.555 18824 11270 1 19 . 1 1 39 39 ILE CA C 39 60.231 60.231 61.984 -1.753 18824 11271 1 19 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.068 -0.674 18824 11272 1 19 . 1 1 39 39 ILE H H 39 9.208 9.208 8.861 0.347 18824 11273 1 19 . 1 1 40 40 ARG N N 40 130.372 130.372 128.121 2.251 18824 11274 1 19 . 1 1 40 40 ARG HA H 40 4.087 4.087 3.859 0.228 18824 11275 1 19 . 1 1 40 40 ARG C C 40 174.846 174.846 175.933 -1.087 18824 11276 1 19 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.616 -0.006 18824 11277 1 19 . 1 1 40 40 ARG CB C 40 31.315 31.315 31.675 -0.360 18824 11278 1 19 . 1 1 40 40 ARG H H 40 9.240 9.240 9.022 0.218 18824 11279 1 19 . 1 1 41 41 LEU N N 41 116.642 116.642 118.269 -1.627 18824 11280 1 19 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.652 -0.294 18824 11281 1 19 . 1 1 41 41 LEU C C 41 173.658 173.658 174.440 -0.782 18824 11282 1 19 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.863 -0.178 18824 11283 1 19 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.972 -0.757 18824 11284 1 19 . 1 1 41 41 LEU H H 41 7.130 7.130 7.849 -0.719 18824 11285 1 19 . 1 1 42 42 VAL N N 42 125.934 125.934 123.846 2.088 18824 11286 1 19 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.783 -0.428 18824 11287 1 19 . 1 1 42 42 VAL C C 42 175.548 175.548 175.672 -0.124 18824 11288 1 19 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.752 0.501 18824 11289 1 19 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.018 0.205 18824 11290 1 19 . 1 1 42 42 VAL H H 42 8.731 8.731 8.456 0.275 18824 11291 1 19 . 1 1 43 43 GLU N N 43 128.285 128.285 129.473 -1.188 18824 11292 1 19 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.531 -0.210 18824 11293 1 19 . 1 1 43 43 GLU CA C 43 54.660 54.660 53.891 0.769 18824 11294 1 19 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.480 -0.751 18824 11295 1 19 . 1 1 43 43 GLU H H 43 9.102 9.102 9.121 -0.019 18824 11296 1 19 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.513 -0.073 18824 11297 1 19 . 1 1 44 44 PRO C C 44 178.222 178.222 177.777 0.445 18824 11298 1 19 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.418 -0.120 18824 11299 1 19 . 1 1 44 44 PRO CB C 44 31.388 31.388 30.938 0.451 18824 11300 1 19 . 1 1 45 45 GLY N N 45 113.166 113.166 114.052 -0.886 18824 11301 1 19 . 1 1 45 45 GLY C C 45 173.515 173.515 174.003 -0.488 18824 11302 1 19 . 1 1 45 45 GLY CA C 45 45.525 45.525 44.841 0.684 18824 11303 1 19 . 1 1 45 45 GLY H H 45 9.416 9.416 9.642 -0.226 18824 11304 1 19 . 1 1 46 46 SER N N 46 114.219 114.219 116.688 -2.469 18824 11305 1 19 . 1 1 46 46 SER HA H 46 4.670 4.670 5.055 -0.385 18824 11306 1 19 . 1 1 46 46 SER CA C 46 57.103 57.103 55.779 1.324 18824 11307 1 19 . 1 1 46 46 SER CB C 46 64.458 64.458 64.838 -0.380 18824 11308 1 19 . 1 1 46 46 SER H H 46 7.422 7.422 7.803 -0.381 18824 11309 1 19 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.400 -0.113 18824 11310 1 19 . 1 1 47 47 PRO C C 47 179.487 179.487 177.335 2.152 18824 11311 1 19 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.752 0.585 18824 11312 1 19 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.685 0.654 18824 11313 1 19 . 1 1 48 48 ALA N N 48 116.941 116.941 121.940 -4.999 18824 11314 1 19 . 1 1 48 48 ALA HA H 48 3.808 3.808 4.051 -0.243 18824 11315 1 19 . 1 1 48 48 ALA C C 48 177.063 177.063 179.597 -2.534 18824 11316 1 19 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.254 -0.144 18824 11317 1 19 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.203 1.972 18824 11318 1 19 . 1 1 48 48 ALA H H 48 7.855 7.855 7.814 0.041 18824 11319 1 19 . 1 1 49 49 GLU N N 49 120.064 120.064 117.817 2.247 18824 11320 1 19 . 1 1 49 49 GLU HA H 49 3.854 3.854 3.993 -0.139 18824 11321 1 19 . 1 1 49 49 GLU C C 49 181.038 181.038 178.867 2.171 18824 11322 1 19 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.823 0.358 18824 11323 1 19 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.599 0.071 18824 11324 1 19 . 1 1 49 49 GLU H H 49 7.732 7.732 7.905 -0.173 18824 11325 1 19 . 1 1 50 50 LYS N N 50 120.570 120.570 117.699 2.871 18824 11326 1 19 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.117 -0.193 18824 11327 1 19 . 1 1 50 50 LYS C C 50 177.580 177.580 177.932 -0.352 18824 11328 1 19 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.361 0.419 18824 11329 1 19 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.222 -0.418 18824 11330 1 19 . 1 1 50 50 LYS H H 50 8.156 8.156 7.456 0.700 18824 11331 1 19 . 1 1 51 51 ALA N N 51 117.482 117.482 117.981 -0.499 18824 11332 1 19 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.289 0.019 18824 11333 1 19 . 1 1 51 51 ALA C C 51 177.509 177.509 176.750 0.759 18824 11334 1 19 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.333 -0.215 18824 11335 1 19 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.956 0.239 18824 11336 1 19 . 1 1 51 51 ALA H H 51 7.730 7.730 7.534 0.196 18824 11337 1 19 . 1 1 52 52 GLY N N 52 103.549 103.549 105.664 -2.115 18824 11338 1 19 . 1 1 52 52 GLY C C 52 174.888 174.888 174.033 0.855 18824 11339 1 19 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.706 0.316 18824 11340 1 19 . 1 1 52 52 GLY H H 52 7.513 7.513 7.545 -0.032 18824 11341 1 19 . 1 1 53 53 LEU N N 53 120.806 120.806 121.458 -0.652 18824 11342 1 19 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.608 -0.752 18824 11343 1 19 . 1 1 53 53 LEU C C 53 174.692 174.692 175.249 -0.557 18824 11344 1 19 . 1 1 53 53 LEU CA C 53 55.190 55.190 54.029 1.161 18824 11345 1 19 . 1 1 53 53 LEU CB C 53 42.994 42.994 43.652 -0.658 18824 11346 1 19 . 1 1 53 53 LEU H H 53 7.420 7.420 7.694 -0.274 18824 11347 1 19 . 1 1 54 54 LEU N N 54 122.726 122.726 122.227 0.499 18824 11348 1 19 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.639 -0.134 18824 11349 1 19 . 1 1 54 54 LEU C C 54 176.350 176.350 174.896 1.454 18824 11350 1 19 . 1 1 54 54 LEU CA C 54 52.981 52.981 53.792 -0.811 18824 11351 1 19 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.866 -1.302 18824 11352 1 19 . 1 1 54 54 LEU H H 54 8.546 8.546 8.118 0.428 18824 11353 1 19 . 1 1 55 55 ALA N N 55 122.735 122.735 126.296 -3.561 18824 11354 1 19 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.433 -0.702 18824 11355 1 19 . 1 1 55 55 ALA C C 55 179.077 179.077 177.336 1.741 18824 11356 1 19 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.399 -0.399 18824 11357 1 19 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.653 -0.585 18824 11358 1 19 . 1 1 55 55 ALA H H 55 8.551 8.551 8.738 -0.187 18824 11359 1 19 . 1 1 56 56 GLY N N 56 112.553 112.553 113.449 -0.896 18824 11360 1 19 . 1 1 56 56 GLY C C 56 174.638 174.638 174.644 -0.006 18824 11361 1 19 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.074 -0.593 18824 11362 1 19 . 1 1 56 56 GLY H H 56 9.450 9.450 8.425 1.025 18824 11363 1 19 . 1 1 57 57 ASP N N 57 121.912 121.912 123.089 -1.177 18824 11364 1 19 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.742 -0.195 18824 11365 1 19 . 1 1 57 57 ASP C C 57 174.539 174.539 174.832 -0.293 18824 11366 1 19 . 1 1 57 57 ASP CA C 57 55.157 55.157 55.039 0.117 18824 11367 1 19 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.776 -0.292 18824 11368 1 19 . 1 1 57 57 ASP H H 57 7.948 7.948 7.985 -0.037 18824 11369 1 19 . 1 1 58 58 ARG N N 58 122.512 122.512 121.973 0.539 18824 11370 1 19 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.581 -0.600 18824 11371 1 19 . 1 1 58 58 ARG C C 58 175.512 175.512 174.822 0.690 18824 11372 1 19 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.525 -0.356 18824 11373 1 19 . 1 1 58 58 ARG CB C 58 32.435 32.435 32.076 0.359 18824 11374 1 19 . 1 1 58 58 ARG H H 58 8.570 8.570 8.504 0.066 18824 11375 1 19 . 1 1 59 59 LEU N N 59 126.506 126.506 127.978 -1.472 18824 11376 1 19 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.426 -0.367 18824 11377 1 19 . 1 1 59 59 LEU C C 59 174.420 174.420 175.517 -1.097 18824 11378 1 19 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.098 0.081 18824 11379 1 19 . 1 1 59 59 LEU CB C 59 42.475 42.475 41.963 0.512 18824 11380 1 19 . 1 1 59 59 LEU H H 59 7.917 7.917 8.582 -0.665 18824 11381 1 19 . 1 1 60 60 VAL N N 60 124.914 124.914 126.965 -2.051 18824 11382 1 19 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.045 -0.135 18824 11383 1 19 . 1 1 60 60 VAL CA C 60 63.788 63.788 64.446 -0.658 18824 11384 1 19 . 1 1 60 60 VAL CB C 60 32.805 32.805 32.751 0.054 18824 11385 1 19 . 1 1 60 60 VAL H H 60 8.781 8.781 9.229 -0.448 18824 11386 1 19 . 1 1 61 61 GLU N N 61 112.868 112.868 118.856 -5.988 18824 11387 1 19 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.216 -0.004 18824 11388 1 19 . 1 1 61 61 GLU C C 61 175.717 175.717 174.229 1.488 18824 11389 1 19 . 1 1 61 61 GLU CA C 61 54.186 54.186 54.910 -0.724 18824 11390 1 19 . 1 1 61 61 GLU CB C 61 34.458 34.458 34.316 0.142 18824 11391 1 19 . 1 1 61 61 GLU H H 61 7.332 7.332 7.795 -0.463 18824 11392 1 19 . 1 1 62 62 VAL N N 62 118.357 118.357 123.862 -5.505 18824 11393 1 19 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.773 -0.451 18824 11394 1 19 . 1 1 62 62 VAL C C 62 175.495 175.495 175.599 -0.104 18824 11395 1 19 . 1 1 62 62 VAL CA C 62 60.750 60.750 61.063 -0.313 18824 11396 1 19 . 1 1 62 62 VAL CB C 62 33.376 33.376 34.412 -1.036 18824 11397 1 19 . 1 1 62 62 VAL H H 62 8.342 8.342 8.946 -0.604 18824 11398 1 19 . 1 1 63 63 ASN N N 63 129.063 129.063 127.985 1.078 18824 11399 1 19 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.360 -0.181 18824 11400 1 19 . 1 1 63 63 ASN C C 63 175.051 175.051 175.337 -0.286 18824 11401 1 19 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.303 -0.659 18824 11402 1 19 . 1 1 63 63 ASN CB C 63 36.328 36.328 36.528 -0.200 18824 11403 1 19 . 1 1 63 63 ASN H H 63 9.830 9.830 9.542 0.288 18824 11404 1 19 . 1 1 64 64 GLY N N 64 103.346 103.346 103.720 -0.374 18824 11405 1 19 . 1 1 64 64 GLY C C 64 173.276 173.276 173.570 -0.294 18824 11406 1 19 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.163 -0.120 18824 11407 1 19 . 1 1 64 64 GLY H H 64 9.222 9.222 8.939 0.283 18824 11408 1 19 . 1 1 65 65 GLU N N 65 119.230 119.230 119.905 -0.675 18824 11409 1 19 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.516 -0.027 18824 11410 1 19 . 1 1 65 65 GLU C C 65 174.745 174.745 174.835 -0.090 18824 11411 1 19 . 1 1 65 65 GLU CA C 65 53.691 53.691 54.063 -0.372 18824 11412 1 19 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.996 -2.194 18824 11413 1 19 . 1 1 65 65 GLU H H 65 7.553 7.553 7.582 -0.029 18824 11414 1 19 . 1 1 66 66 ASN N N 66 123.478 123.478 125.072 -1.594 18824 11415 1 19 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.678 0.010 18824 11416 1 19 . 1 1 66 66 ASN C C 66 176.144 176.144 175.241 0.903 18824 11417 1 19 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.196 1.028 18824 11418 1 19 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.573 1.016 18824 11419 1 19 . 1 1 66 66 ASN H H 66 8.865 8.865 8.889 -0.024 18824 11420 1 19 . 1 1 67 67 VAL N N 67 117.695 117.695 120.539 -2.844 18824 11421 1 19 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.604 -0.101 18824 11422 1 19 . 1 1 67 67 VAL C C 67 177.475 177.475 176.505 0.970 18824 11423 1 19 . 1 1 67 67 VAL CA C 67 59.756 59.756 61.726 -1.970 18824 11424 1 19 . 1 1 67 67 VAL CB C 67 31.321 31.321 32.756 -1.435 18824 11425 1 19 . 1 1 67 67 VAL H H 67 8.210 8.210 8.863 -0.653 18824 11426 1 19 . 1 1 68 68 GLU N N 68 122.899 122.899 123.078 -0.179 18824 11427 1 19 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.374 -0.453 18824 11428 1 19 . 1 1 68 68 GLU C C 68 177.348 177.348 176.305 1.043 18824 11429 1 19 . 1 1 68 68 GLU CA C 68 59.762 59.762 59.015 0.747 18824 11430 1 19 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.190 2.020 18824 11431 1 19 . 1 1 68 68 GLU H H 68 8.427 8.427 7.910 0.517 18824 11432 1 19 . 1 1 69 69 LYS N N 69 113.848 113.848 117.094 -3.246 18824 11433 1 19 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.691 -0.277 18824 11434 1 19 . 1 1 69 69 LYS C C 69 176.510 176.510 176.014 0.496 18824 11435 1 19 . 1 1 69 69 LYS CA C 69 54.675 54.675 54.885 -0.210 18824 11436 1 19 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.318 -0.556 18824 11437 1 19 . 1 1 69 69 LYS H H 69 8.576 8.576 8.030 0.546 18824 11438 1 19 . 1 1 70 70 GLU N N 70 119.980 119.980 120.363 -0.383 18824 11439 1 19 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.574 -0.213 18824 11440 1 19 . 1 1 70 70 GLU C C 70 176.831 176.831 175.583 1.248 18824 11441 1 19 . 1 1 70 70 GLU CA C 70 56.329 56.329 54.874 1.455 18824 11442 1 19 . 1 1 70 70 GLU CB C 70 31.293 31.293 31.239 0.054 18824 11443 1 19 . 1 1 70 70 GLU H H 70 6.994 6.994 7.710 -0.716 18824 11444 1 19 . 1 1 71 71 THR N N 71 110.696 110.696 109.793 0.903 18824 11445 1 19 . 1 1 71 71 THR HA H 71 4.270 4.270 4.586 -0.316 18824 11446 1 19 . 1 1 71 71 THR C C 71 174.812 174.812 175.412 -0.600 18824 11447 1 19 . 1 1 71 71 THR CA C 71 60.267 60.267 60.234 0.033 18824 11448 1 19 . 1 1 71 71 THR CB C 71 71.497 71.497 70.704 0.793 18824 11449 1 19 . 1 1 71 71 THR H H 71 8.675 8.675 8.031 0.644 18824 11450 1 19 . 1 1 72 72 HIS N N 72 118.876 118.876 120.511 -1.635 18824 11451 1 19 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.372 -0.788 18824 11452 1 19 . 1 1 72 72 HIS C C 72 175.802 175.802 177.672 -1.870 18824 11453 1 19 . 1 1 72 72 HIS CA C 72 60.717 60.717 60.815 -0.098 18824 11454 1 19 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.859 -1.575 18824 11455 1 19 . 1 1 72 72 HIS H H 72 9.171 9.171 8.846 0.325 18824 11456 1 19 . 1 1 73 73 GLN N N 73 115.563 115.563 117.847 -2.284 18824 11457 1 19 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.044 -0.275 18824 11458 1 19 . 1 1 73 73 GLN C C 73 179.060 179.060 178.757 0.303 18824 11459 1 19 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.272 -0.529 18824 11460 1 19 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.333 -0.540 18824 11461 1 19 . 1 1 73 73 GLN H H 73 8.666 8.666 8.774 -0.108 18824 11462 1 19 . 1 1 74 74 GLN N N 74 119.687 119.687 118.592 1.095 18824 11463 1 19 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.068 -0.231 18824 11464 1 19 . 1 1 74 74 GLN C C 74 179.309 179.309 178.701 0.608 18824 11465 1 19 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.729 -0.006 18824 11466 1 19 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.697 0.057 18824 11467 1 19 . 1 1 74 74 GLN H H 74 7.614 7.614 8.063 -0.449 18824 11468 1 19 . 1 1 75 75 VAL N N 75 120.633 120.633 116.332 4.301 18824 11469 1 19 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.728 -0.404 18824 11470 1 19 . 1 1 75 75 VAL C C 75 178.031 178.031 177.849 0.182 18824 11471 1 19 . 1 1 75 75 VAL CA C 75 67.423 67.423 65.912 1.510 18824 11472 1 19 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.343 -0.274 18824 11473 1 19 . 1 1 75 75 VAL H H 75 8.289 8.289 7.528 0.761 18824 11474 1 19 . 1 1 76 76 VAL N N 76 118.966 118.966 121.194 -2.228 18824 11475 1 19 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.494 -0.166 18824 11476 1 19 . 1 1 76 76 VAL C C 76 178.739 178.739 178.391 0.348 18824 11477 1 19 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.298 0.561 18824 11478 1 19 . 1 1 76 76 VAL CB C 76 30.847 30.847 30.375 0.472 18824 11479 1 19 . 1 1 76 76 VAL H H 76 8.364 8.364 7.947 0.417 18824 11480 1 19 . 1 1 77 77 SER N N 77 115.158 115.158 115.493 -0.335 18824 11481 1 19 . 1 1 77 77 SER HA H 77 3.994 3.994 4.121 -0.127 18824 11482 1 19 . 1 1 77 77 SER C C 77 176.849 176.849 176.683 0.166 18824 11483 1 19 . 1 1 77 77 SER CA C 77 62.162 62.162 62.099 0.062 18824 11484 1 19 . 1 1 77 77 SER CB C 77 62.232 62.232 62.900 -0.668 18824 11485 1 19 . 1 1 77 77 SER H H 77 7.871 7.871 8.190 -0.319 18824 11486 1 19 . 1 1 78 78 ARG N N 78 121.310 121.310 121.220 0.090 18824 11487 1 19 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.042 -0.120 18824 11488 1 19 . 1 1 78 78 ARG C C 78 179.309 179.309 178.703 0.606 18824 11489 1 19 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.862 -0.113 18824 11490 1 19 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.145 0.134 18824 11491 1 19 . 1 1 78 78 ARG H H 78 7.469 7.469 7.470 -0.001 18824 11492 1 19 . 1 1 79 79 ILE N N 79 119.383 119.383 120.087 -0.704 18824 11493 1 19 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.669 -0.266 18824 11494 1 19 . 1 1 79 79 ILE C C 79 178.364 178.364 178.606 -0.242 18824 11495 1 19 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.680 -0.390 18824 11496 1 19 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.700 -0.476 18824 11497 1 19 . 1 1 79 79 ILE H H 79 7.759 7.759 8.237 -0.478 18824 11498 1 19 . 1 1 80 80 ARG N N 80 119.497 119.497 118.511 0.986 18824 11499 1 19 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.127 -0.149 18824 11500 1 19 . 1 1 80 80 ARG C C 80 177.544 177.544 177.177 0.367 18824 11501 1 19 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.600 1.130 18824 11502 1 19 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.188 0.640 18824 11503 1 19 . 1 1 80 80 ARG H H 80 8.407 8.407 7.856 0.551 18824 11504 1 19 . 1 1 81 81 ALA N N 81 118.814 118.814 119.570 -0.756 18824 11505 1 19 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.256 -0.195 18824 11506 1 19 . 1 1 81 81 ALA C C 81 177.473 177.473 177.992 -0.519 18824 11507 1 19 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.836 -0.029 18824 11508 1 19 . 1 1 81 81 ALA CB C 81 18.604 18.604 18.717 -0.113 18824 11509 1 19 . 1 1 81 81 ALA H H 81 7.392 7.392 7.284 0.108 18824 11510 1 19 . 1 1 82 82 ALA N N 82 121.771 121.771 121.606 0.165 18824 11511 1 19 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.252 0.058 18824 11512 1 19 . 1 1 82 82 ALA C C 82 177.384 177.384 177.407 -0.023 18824 11513 1 19 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.261 -0.657 18824 11514 1 19 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.732 -2.141 18824 11515 1 19 . 1 1 82 82 ALA H H 82 7.182 7.182 7.317 -0.135 18824 11516 1 19 . 1 1 83 83 LEU N N 83 122.357 122.357 123.375 -1.018 18824 11517 1 19 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.112 -0.121 18824 11518 1 19 . 1 1 83 83 LEU C C 83 177.366 177.366 178.259 -0.893 18824 11519 1 19 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.071 -0.094 18824 11520 1 19 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.218 -1.232 18824 11521 1 19 . 1 1 83 83 LEU H H 83 8.171 8.171 8.713 -0.542 18824 11522 1 19 . 1 1 84 84 ASN N N 84 114.897 114.897 114.251 0.646 18824 11523 1 19 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.852 -0.234 18824 11524 1 19 . 1 1 84 84 ASN C C 84 173.651 173.651 173.936 -0.285 18824 11525 1 19 . 1 1 84 84 ASN CA C 84 54.194 54.194 52.828 1.366 18824 11526 1 19 . 1 1 84 84 ASN CB C 84 39.903 39.903 40.333 -0.430 18824 11527 1 19 . 1 1 84 84 ASN H H 84 8.565 8.565 8.193 0.372 18824 11528 1 19 . 1 1 85 85 ALA N N 85 124.026 124.026 121.046 2.980 18824 11529 1 19 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.251 -0.180 18824 11530 1 19 . 1 1 85 85 ALA C C 85 175.751 175.751 175.228 0.523 18824 11531 1 19 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.319 0.791 18824 11532 1 19 . 1 1 85 85 ALA CB C 85 21.156 21.156 21.772 -0.616 18824 11533 1 19 . 1 1 85 85 ALA H H 85 7.808 7.808 7.487 0.321 18824 11534 1 19 . 1 1 86 86 VAL N N 86 116.130 116.130 116.332 -0.202 18824 11535 1 19 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.946 -0.354 18824 11536 1 19 . 1 1 86 86 VAL C C 86 171.876 171.876 174.343 -2.467 18824 11537 1 19 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.051 0.697 18824 11538 1 19 . 1 1 86 86 VAL CB C 86 34.893 34.893 34.716 0.177 18824 11539 1 19 . 1 1 86 86 VAL H H 86 8.432 8.432 8.803 -0.371 18824 11540 1 19 . 1 1 87 87 ARG N N 87 124.913 124.913 121.599 3.314 18824 11541 1 19 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.831 0.167 18824 11542 1 19 . 1 1 87 87 ARG C C 87 175.316 175.316 175.302 0.014 18824 11543 1 19 . 1 1 87 87 ARG CA C 87 53.991 53.991 54.303 -0.312 18824 11544 1 19 . 1 1 87 87 ARG CB C 87 31.805 31.805 31.084 0.721 18824 11545 1 19 . 1 1 87 87 ARG H H 87 8.255 8.255 9.294 -1.039 18824 11546 1 19 . 1 1 88 88 LEU N N 88 125.141 125.141 125.003 0.138 18824 11547 1 19 . 1 1 88 88 LEU HA H 88 4.950 4.950 5.033 -0.083 18824 11548 1 19 . 1 1 88 88 LEU C C 88 173.836 173.836 174.743 -0.907 18824 11549 1 19 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.521 -1.140 18824 11550 1 19 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.899 -0.947 18824 11551 1 19 . 1 1 88 88 LEU H H 88 9.041 9.041 9.083 -0.042 18824 11552 1 19 . 1 1 89 89 LEU N N 89 126.927 126.927 126.994 -0.067 18824 11553 1 19 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.830 0.347 18824 11554 1 19 . 1 1 89 89 LEU C C 89 175.726 175.726 174.675 1.051 18824 11555 1 19 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.463 0.246 18824 11556 1 19 . 1 1 89 89 LEU CB C 89 43.514 43.514 44.645 -1.131 18824 11557 1 19 . 1 1 89 89 LEU H H 89 8.484 8.484 8.816 -0.332 18824 11558 1 19 . 1 1 90 90 VAL N N 90 119.770 119.770 123.342 -3.572 18824 11559 1 19 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.442 -0.004 18824 11560 1 19 . 1 1 90 90 VAL C C 90 174.157 174.157 173.536 0.621 18824 11561 1 19 . 1 1 90 90 VAL CA C 90 57.971 57.971 59.376 -1.405 18824 11562 1 19 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.531 1.325 18824 11563 1 19 . 1 1 90 90 VAL H H 90 9.001 9.001 7.966 1.035 18824 11564 1 19 . 1 1 91 91 VAL N N 91 112.698 112.698 119.861 -7.163 18824 11565 1 19 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.461 0.248 18824 11566 1 19 . 1 1 91 91 VAL C C 91 173.993 173.993 174.078 -0.085 18824 11567 1 19 . 1 1 91 91 VAL CA C 91 58.983 58.983 60.153 -1.170 18824 11568 1 19 . 1 1 91 91 VAL CB C 91 35.466 35.466 36.741 -1.275 18824 11569 1 19 . 1 1 91 91 VAL H H 91 8.011 8.011 8.034 -0.023 18824 11570 1 19 . 1 1 92 92 ASP N N 92 127.066 127.066 127.381 -0.315 18824 11571 1 19 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.988 0.018 18824 11572 1 19 . 1 1 92 92 ASP CA C 92 53.078 53.078 52.382 0.696 18824 11573 1 19 . 1 1 92 92 ASP CB C 92 39.764 39.764 41.581 -1.817 18824 11574 1 19 . 1 1 92 92 ASP H H 92 7.878 7.878 8.851 -0.973 18824 11575 1 19 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.301 0.102 18824 11576 1 19 . 1 1 93 93 PRO CA C 93 65.864 65.864 64.853 1.011 18824 11577 1 19 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.980 0.241 18824 11578 1 19 . 1 1 94 94 GLU N N 94 119.504 119.504 116.335 3.169 18824 11579 1 19 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.103 -0.053 18824 11580 1 19 . 1 1 94 94 GLU C C 94 179.182 179.182 178.435 0.747 18824 11581 1 19 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.429 -0.211 18824 11582 1 19 . 1 1 94 94 GLU CB C 94 28.950 28.950 28.379 0.571 18824 11583 1 19 . 1 1 94 94 GLU H H 94 8.156 8.156 8.592 -0.436 18824 11584 1 19 . 1 1 95 95 THR N N 95 120.651 120.651 116.633 4.018 18824 11585 1 19 . 1 1 95 95 THR HA H 95 3.751 3.751 4.271 -0.520 18824 11586 1 19 . 1 1 95 95 THR C C 95 175.888 175.888 176.525 -0.637 18824 11587 1 19 . 1 1 95 95 THR CA C 95 65.764 65.764 66.514 -0.750 18824 11588 1 19 . 1 1 95 95 THR CB C 95 67.338 67.338 68.432 -1.094 18824 11589 1 19 . 1 1 95 95 THR H H 95 8.315 8.315 8.953 -0.638 18824 11590 1 19 . 1 1 96 96 ASP N N 96 120.554 120.554 121.696 -1.142 18824 11591 1 19 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.367 -0.134 18824 11592 1 19 . 1 1 96 96 ASP C C 96 178.275 178.275 177.949 0.326 18824 11593 1 19 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.827 -1.606 18824 11594 1 19 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.940 0.098 18824 11595 1 19 . 1 1 96 96 ASP H H 96 8.381 8.381 8.547 -0.166 18824 11596 1 19 . 1 1 97 97 GLU N N 97 117.457 117.457 118.963 -1.506 18824 11597 1 19 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.897 -0.032 18824 11598 1 19 . 1 1 97 97 GLU C C 97 178.790 178.790 178.641 0.149 18824 11599 1 19 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.948 -0.739 18824 11600 1 19 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.550 -0.504 18824 11601 1 19 . 1 1 97 97 GLU H H 97 7.727 7.727 7.725 0.002 18824 11602 1 19 . 1 1 98 98 GLN N N 98 118.704 118.704 117.499 1.205 18824 11603 1 19 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.125 -0.151 18824 11604 1 19 . 1 1 98 98 GLN C C 98 178.756 178.756 178.468 0.288 18824 11605 1 19 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.207 0.033 18824 11606 1 19 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.171 -0.239 18824 11607 1 19 . 1 1 98 98 GLN H H 98 7.733 7.733 7.630 0.103 18824 11608 1 19 . 1 1 99 99 LEU N N 99 119.242 119.242 120.724 -1.482 18824 11609 1 19 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.804 0.110 18824 11610 1 19 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.518 0.201 18824 11611 1 19 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.540 -1.657 18824 11612 1 19 . 1 1 99 99 LEU H H 99 8.494 8.494 8.616 -0.122 18824 11613 1 19 . 1 1 100 100 GLN N N 100 118.689 118.689 117.828 0.861 18824 11614 1 19 . 1 1 100 100 GLN HA H 100 3.964 3.964 3.948 0.016 18824 11615 1 19 . 1 1 100 100 GLN CA C 100 58.634 58.634 59.139 -0.505 18824 11616 1 19 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.424 -0.706 18824 11617 1 19 . 1 1 100 100 GLN H H 100 8.202 8.202 8.461 -0.259 18824 11618 1 19 . 1 1 101 101 LYS N N 101 120.369 120.369 118.838 1.531 18824 11619 1 19 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.089 -0.155 18824 11620 1 19 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.382 0.360 18824 11621 1 19 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.134 -0.273 18824 11622 1 19 . 1 1 101 101 LYS H H 101 7.783 7.783 7.505 0.278 18824 11623 1 19 . 1 1 102 102 LEU N N 102 117.862 117.862 117.896 -0.034 18824 11624 1 19 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.342 -0.185 18824 11625 1 19 . 1 1 102 102 LEU C C 102 177.526 177.526 177.575 -0.049 18824 11626 1 19 . 1 1 102 102 LEU CA C 102 55.174 55.174 55.312 -0.138 18824 11627 1 19 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.987 -0.021 18824 11628 1 19 . 1 1 102 102 LEU H H 102 7.512 7.512 7.115 0.397 18824 11629 1 19 . 1 1 103 103 GLY N N 103 108.863 108.863 106.682 2.181 18824 11630 1 19 . 1 1 103 103 GLY C C 103 174.353 174.353 172.737 1.616 18824 11631 1 19 . 1 1 103 103 GLY CA C 103 45.565 45.565 44.774 0.791 18824 11632 1 19 . 1 1 103 103 GLY H H 103 7.851 7.851 7.990 -0.139 18824 11633 1 19 . 1 1 104 104 VAL N N 104 120.506 120.506 122.936 -2.430 18824 11634 1 19 . 1 1 104 104 VAL HA H 104 3.852 3.852 3.972 -0.120 18824 11635 1 19 . 1 1 104 104 VAL CA C 104 61.751 61.751 62.181 -0.430 18824 11636 1 19 . 1 1 104 104 VAL CB C 104 32.824 32.824 31.918 0.906 18824 11637 1 19 . 1 1 104 104 VAL H H 104 7.726 7.726 8.445 -0.719 18824 11638 1 19 . 1 1 105 105 GLN N N 105 124.776 124.776 127.943 -3.167 18824 11639 1 19 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.536 -0.429 18824 11640 1 19 . 1 1 105 105 GLN CA C 105 55.170 55.170 55.993 -0.823 18824 11641 1 19 . 1 1 105 105 GLN CB C 105 28.783 28.783 28.346 0.437 18824 11642 1 19 . 1 1 105 105 GLN H H 105 8.245 8.245 8.439 -0.194 18824 11643 1 19 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.719 -0.258 18824 11644 1 19 . 1 1 106 106 VAL C C 106 179.182 179.182 176.357 2.825 18824 11645 1 19 . 1 1 106 106 VAL CA C 106 64.553 64.553 64.278 0.275 18824 11646 1 19 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.613 -1.304 18824 11647 1 19 . 1 1 106 106 VAL H H 106 8.504 8.504 8.144 0.360 18824 11648 1 19 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.092 0.148 18824 11649 1 19 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.303 -0.684 18824 11650 1 19 . 1 1 108 108 GLU CA C 108 59.746 59.746 57.125 2.621 18824 11651 1 19 . 1 1 108 108 GLU CB C 108 29.234 29.234 31.044 -1.810 18824 11652 1 19 . 1 1 108 108 GLU H H 108 8.690 8.690 7.622 1.068 18824 11653 1 19 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.401 -0.359 18824 11654 1 19 . 1 1 110 110 LEU CA C 110 56.360 56.360 55.972 0.388 18824 11655 1 19 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.555 0.565 18824 11656 1 19 . 1 1 111 111 LEU N N 111 116.974 116.974 118.130 -1.156 18824 11657 1 19 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.204 -0.121 18824 11658 1 19 . 1 1 111 111 LEU C C 111 177.598 177.598 177.907 -0.309 18824 11659 1 19 . 1 1 111 111 LEU CA C 111 55.628 55.628 57.136 -1.508 18824 11660 1 19 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.482 -0.505 18824 11661 1 19 . 1 1 111 111 LEU H H 111 7.791 7.791 7.845 -0.054 18824 11662 1 19 . 1 1 112 112 ARG N N 112 119.231 119.231 119.661 -0.430 18824 11663 1 19 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.244 -0.092 18824 11664 1 19 . 1 1 112 112 ARG C C 112 176.246 176.246 176.265 -0.019 18824 11665 1 19 . 1 1 112 112 ARG CA C 112 56.180 56.180 57.038 -0.858 18824 11666 1 19 . 1 1 112 112 ARG CB C 112 30.340 30.340 32.139 -1.799 18824 11667 1 19 . 1 1 112 112 ARG H H 112 7.528 7.528 7.250 0.278 18824 11668 1 19 . 1 1 113 113 ALA N N 113 123.896 123.896 121.373 2.523 18824 11669 1 19 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.545 -0.406 18824 11670 1 19 . 1 1 113 113 ALA C C 113 177.783 177.783 175.498 2.285 18824 11671 1 19 . 1 1 113 113 ALA CA C 113 52.649 52.649 51.663 0.986 18824 11672 1 19 . 1 1 113 113 ALA CB C 113 18.618 18.618 21.433 -2.815 18824 11673 1 19 . 1 1 113 113 ALA H H 113 7.954 7.954 8.210 -0.256 18824 11674 1 19 . 1 1 114 114 GLN N N 114 118.555 118.555 121.402 -2.847 18824 11675 1 19 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.217 -0.058 18824 11676 1 19 . 1 1 114 114 GLN C C 114 175.815 175.815 175.984 -0.169 18824 11677 1 19 . 1 1 114 114 GLN CA C 114 55.551 55.551 54.480 1.071 18824 11678 1 19 . 1 1 114 114 GLN CB C 114 29.023 29.023 28.206 0.817 18824 11679 1 19 . 1 1 114 114 GLN H H 114 8.121 8.121 8.569 -0.448 18824 11680 1 19 . 1 1 115 115 GLU N N 115 121.589 121.589 126.479 -4.890 18824 11681 1 19 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.264 -0.134 18824 11682 1 19 . 1 1 115 115 GLU C C 115 175.637 175.637 175.732 -0.095 18824 11683 1 19 . 1 1 115 115 GLU CA C 115 55.779 55.779 56.411 -0.632 18824 11684 1 19 . 1 1 115 115 GLU CB C 115 30.038 30.038 28.055 1.983 18824 11685 1 19 . 1 1 115 115 GLU H H 115 8.164 8.164 8.777 -0.613 18824 11686 1 19 . 1 1 116 116 ALA N N 116 126.435 126.435 126.796 -0.361 18824 11687 1 19 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.519 -0.060 18824 11688 1 19 . 1 1 116 116 ALA CA C 116 50.094 50.094 51.405 -1.311 18824 11689 1 19 . 1 1 116 116 ALA CB C 116 17.622 17.622 19.060 -1.438 18824 11690 1 19 . 1 1 116 116 ALA H H 116 8.266 8.266 8.024 0.242 18824 11691 1 19 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.529 -0.225 18824 11692 1 19 . 1 1 117 117 PRO C C 117 177.580 177.580 176.540 1.040 18824 11693 1 19 . 1 1 117 117 PRO CA C 117 62.789 62.789 63.021 -0.232 18824 11694 1 19 . 1 1 117 117 PRO CB C 117 31.812 31.812 30.339 1.473 18824 11695 1 19 . 1 1 118 118 GLY N N 118 109.304 109.304 110.179 -0.875 18824 11696 1 19 . 1 1 118 118 GLY C C 118 173.872 173.872 175.521 -1.649 18824 11697 1 19 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.495 -0.481 18824 11698 1 19 . 1 1 118 118 GLY H H 118 8.425 8.425 8.463 -0.038 18824 11699 1 19 . 1 1 119 119 GLN N N 119 120.070 120.070 119.509 0.561 18824 11700 1 19 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.131 0.083 18824 11701 1 19 . 1 1 119 119 GLN C C 119 174.692 174.692 176.054 -1.362 18824 11702 1 19 . 1 1 119 119 GLN CA C 119 55.442 55.442 57.051 -1.609 18824 11703 1 19 . 1 1 119 119 GLN CB C 119 29.308 29.308 29.069 0.239 18824 11704 1 19 . 1 1 119 119 GLN H H 119 8.081 8.081 8.648 -0.567 18824 11705 1 20 . 1 1 5 5 ILE N N 5 119.691 119.691 120.954 -1.263 18824 11706 1 20 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.318 -0.260 18824 11707 1 20 . 1 1 5 5 ILE C C 5 175.649 175.649 175.172 0.477 18824 11708 1 20 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.229 -0.633 18824 11709 1 20 . 1 1 5 5 ILE CB C 5 38.674 38.674 39.684 -1.010 18824 11710 1 20 . 1 1 5 5 ILE H H 5 8.370 8.370 8.261 0.109 18824 11711 1 20 . 1 1 6 6 ASP N N 6 126.564 126.564 128.105 -1.541 18824 11712 1 20 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.897 -0.207 18824 11713 1 20 . 1 1 6 6 ASP CA C 6 52.261 52.261 51.780 0.481 18824 11714 1 20 . 1 1 6 6 ASP CB C 6 40.555 40.555 42.567 -2.012 18824 11715 1 20 . 1 1 6 6 ASP H H 6 8.373 8.373 8.507 -0.134 18824 11716 1 20 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.304 -0.144 18824 11717 1 20 . 1 1 7 7 PRO C C 7 176.417 176.417 175.373 1.044 18824 11718 1 20 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.726 -0.675 18824 11719 1 20 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.446 -0.765 18824 11720 1 20 . 1 1 8 8 PHE N N 8 117.858 117.858 115.022 2.836 18824 11721 1 20 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.654 -0.110 18824 11722 1 20 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.716 -0.463 18824 11723 1 20 . 1 1 8 8 PHE CB C 8 38.444 38.444 42.850 -4.407 18824 11724 1 20 . 1 1 8 8 PHE H H 8 7.974 7.974 7.575 0.399 18824 11725 1 20 . 1 1 9 9 THR N N 9 112.459 112.459 118.229 -5.770 18824 11726 1 20 . 1 1 9 9 THR HA H 9 4.338 4.338 4.479 -0.141 18824 11727 1 20 . 1 1 9 9 THR C C 9 175.888 175.888 173.221 2.667 18824 11728 1 20 . 1 1 9 9 THR CA C 9 60.827 60.827 62.415 -1.588 18824 11729 1 20 . 1 1 9 9 THR CB C 9 69.387 69.387 69.586 -0.199 18824 11730 1 20 . 1 1 9 9 THR H H 9 7.927 7.927 8.630 -0.703 18824 11731 1 20 . 1 1 10 10 MET N N 10 121.338 121.338 123.839 -2.501 18824 11732 1 20 . 1 1 10 10 MET HA H 10 4.310 4.310 4.259 0.051 18824 11733 1 20 . 1 1 10 10 MET C C 10 174.386 174.386 174.185 0.201 18824 11734 1 20 . 1 1 10 10 MET CA C 10 52.415 52.415 55.606 -3.191 18824 11735 1 20 . 1 1 10 10 MET H H 10 7.648 7.648 8.439 -0.791 18824 11736 1 20 . 1 1 11 11 LEU HA H 11 4.690 4.690 5.015 -0.325 18824 11737 1 20 . 1 1 11 11 LEU CA C 11 52.606 52.606 53.078 -0.472 18824 11738 1 20 . 1 1 11 11 LEU CB C 11 44.079 44.079 41.637 2.442 18824 11739 1 20 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.571 0.046 18824 11740 1 20 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.801 -0.536 18824 11741 1 20 . 1 1 12 12 PRO CB C 12 31.826 31.826 33.041 -1.215 18824 11742 1 20 . 1 1 13 13 ARG N N 13 118.005 118.005 117.753 0.252 18824 11743 1 20 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.641 -0.257 18824 11744 1 20 . 1 1 13 13 ARG C C 13 173.498 173.498 174.552 -1.054 18824 11745 1 20 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.684 -0.008 18824 11746 1 20 . 1 1 13 13 ARG CB C 13 32.565 32.565 32.812 -0.247 18824 11747 1 20 . 1 1 13 13 ARG H H 13 8.484 8.484 8.138 0.346 18824 11748 1 20 . 1 1 14 14 LEU N N 14 124.897 124.897 124.150 0.747 18824 11749 1 20 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.503 0.365 18824 11750 1 20 . 1 1 14 14 LEU C C 14 176.144 176.144 176.456 -0.312 18824 11751 1 20 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.648 -1.601 18824 11752 1 20 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.512 0.445 18824 11753 1 20 . 1 1 14 14 LEU H H 14 8.520 8.520 8.545 -0.025 18824 11754 1 20 . 1 1 15 15 CYS N N 15 127.167 127.167 128.360 -1.193 18824 11755 1 20 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.599 -0.008 18824 11756 1 20 . 1 1 15 15 CYS C C 15 173.408 173.408 173.956 -0.548 18824 11757 1 20 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.907 -1.453 18824 11758 1 20 . 1 1 15 15 CYS CB C 15 29.325 29.325 27.762 1.563 18824 11759 1 20 . 1 1 15 15 CYS H H 15 9.247 9.247 9.270 -0.023 18824 11760 1 20 . 1 1 16 16 CYS N N 16 125.133 125.133 126.421 -1.288 18824 11761 1 20 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.413 -0.677 18824 11762 1 20 . 1 1 16 16 CYS C C 16 172.784 172.784 174.329 -1.545 18824 11763 1 20 . 1 1 16 16 CYS CA C 16 58.040 58.040 58.333 -0.293 18824 11764 1 20 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.515 -0.273 18824 11765 1 20 . 1 1 16 16 CYS H H 16 9.049 9.049 8.987 0.062 18824 11766 1 20 . 1 1 17 17 LEU N N 17 124.624 124.624 122.716 1.908 18824 11767 1 20 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.938 -0.286 18824 11768 1 20 . 1 1 17 17 LEU C C 17 175.672 175.672 175.268 0.404 18824 11769 1 20 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.144 2.080 18824 11770 1 20 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.426 -0.384 18824 11771 1 20 . 1 1 17 17 LEU H H 17 8.750 8.750 8.189 0.561 18824 11772 1 20 . 1 1 18 18 GLU N N 18 121.610 121.610 119.159 2.451 18824 11773 1 20 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.844 -0.084 18824 11774 1 20 . 1 1 18 18 GLU C C 18 175.548 175.548 176.230 -0.682 18824 11775 1 20 . 1 1 18 18 GLU CA C 18 54.861 54.861 54.934 -0.072 18824 11776 1 20 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.472 -0.160 18824 11777 1 20 . 1 1 18 18 GLU H H 18 8.304 8.304 8.554 -0.250 18824 11778 1 20 . 1 1 19 19 LYS N N 19 123.922 123.922 125.844 -1.922 18824 11779 1 20 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.837 -0.727 18824 11780 1 20 . 1 1 19 19 LYS C C 19 176.635 176.635 176.266 0.369 18824 11781 1 20 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.216 2.272 18824 11782 1 20 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.764 -0.439 18824 11783 1 20 . 1 1 19 19 LYS H H 19 8.131 8.131 8.697 -0.566 18824 11784 1 20 . 1 1 20 20 GLY N N 20 112.282 112.282 113.788 -1.506 18824 11785 1 20 . 1 1 20 20 GLY CA C 20 44.045 44.045 44.233 -0.188 18824 11786 1 20 . 1 1 20 20 GLY H H 20 6.955 6.955 8.700 -1.745 18824 11787 1 20 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.433 -0.256 18824 11788 1 20 . 1 1 21 21 PRO C C 21 177.081 177.081 175.818 1.263 18824 11789 1 20 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.524 -0.202 18824 11790 1 20 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.557 0.024 18824 11791 1 20 . 1 1 22 22 ASN N N 22 114.637 114.637 114.636 0.001 18824 11792 1 20 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.733 0.186 18824 11793 1 20 . 1 1 22 22 ASN C C 22 175.102 175.102 175.905 -0.803 18824 11794 1 20 . 1 1 22 22 ASN CA C 22 51.618 51.618 51.631 -0.013 18824 11795 1 20 . 1 1 22 22 ASN CB C 22 38.930 38.930 38.115 0.815 18824 11796 1 20 . 1 1 22 22 ASN H H 22 8.462 8.462 7.524 0.938 18824 11797 1 20 . 1 1 23 23 GLY N N 23 107.193 107.193 109.271 -2.078 18824 11798 1 20 . 1 1 23 23 GLY C C 23 174.932 174.932 173.928 1.004 18824 11799 1 20 . 1 1 23 23 GLY CA C 23 44.426 44.426 46.250 -1.824 18824 11800 1 20 . 1 1 23 23 GLY H H 23 7.499 7.499 7.730 -0.231 18824 11801 1 20 . 1 1 24 24 TYR N N 24 119.910 119.910 123.029 -3.119 18824 11802 1 20 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.880 -0.571 18824 11803 1 20 . 1 1 24 24 TYR C C 24 177.188 177.188 175.803 1.385 18824 11804 1 20 . 1 1 24 24 TYR CA C 24 60.745 60.745 56.987 3.758 18824 11805 1 20 . 1 1 24 24 TYR CB C 24 40.447 40.447 41.038 -0.591 18824 11806 1 20 . 1 1 24 24 TYR H H 24 8.894 8.894 7.990 0.904 18824 11807 1 20 . 1 1 25 25 GLY N N 25 104.016 104.016 107.156 -3.140 18824 11808 1 20 . 1 1 25 25 GLY C C 25 173.020 173.020 172.952 0.068 18824 11809 1 20 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.680 -0.159 18824 11810 1 20 . 1 1 25 25 GLY H H 25 8.394 8.394 7.877 0.517 18824 11811 1 20 . 1 1 26 26 PHE N N 26 110.891 110.891 116.987 -6.096 18824 11812 1 20 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.787 -0.148 18824 11813 1 20 . 1 1 26 26 PHE C C 26 172.250 172.250 173.451 -1.201 18824 11814 1 20 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.337 -0.231 18824 11815 1 20 . 1 1 26 26 PHE CB C 26 41.690 41.690 42.175 -0.485 18824 11816 1 20 . 1 1 26 26 PHE H H 26 6.711 6.711 7.462 -0.751 18824 11817 1 20 . 1 1 27 27 HIS N N 27 118.261 118.261 119.295 -1.034 18824 11818 1 20 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.890 -0.106 18824 11819 1 20 . 1 1 27 27 HIS C C 27 174.659 174.659 173.709 0.950 18824 11820 1 20 . 1 1 27 27 HIS CA C 27 54.557 54.557 54.991 -0.434 18824 11821 1 20 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.698 -0.854 18824 11822 1 20 . 1 1 27 27 HIS H H 27 7.964 7.964 9.400 -1.436 18824 11823 1 20 . 1 1 28 28 LEU N N 28 125.694 125.694 122.534 3.160 18824 11824 1 20 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.560 -0.075 18824 11825 1 20 . 1 1 28 28 LEU C C 28 176.849 176.849 176.332 0.517 18824 11826 1 20 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.410 0.253 18824 11827 1 20 . 1 1 28 28 LEU CB C 28 45.031 45.031 46.023 -0.992 18824 11828 1 20 . 1 1 28 28 LEU H H 28 9.554 9.554 8.789 0.765 18824 11829 1 20 . 1 1 29 29 HIS N N 29 119.263 119.263 116.566 2.697 18824 11830 1 20 . 1 1 29 29 HIS HA H 29 4.761 4.761 4.992 -0.231 18824 11831 1 20 . 1 1 29 29 HIS C C 29 173.447 173.447 174.231 -0.784 18824 11832 1 20 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.684 2.107 18824 11833 1 20 . 1 1 29 29 HIS CB C 29 32.836 32.836 32.929 -0.093 18824 11834 1 20 . 1 1 29 29 HIS H H 29 9.625 9.625 9.394 0.231 18824 11835 1 20 . 1 1 30 30 GLY N N 30 110.254 110.254 109.730 0.524 18824 11836 1 20 . 1 1 30 30 GLY C C 30 172.917 172.917 173.951 -1.034 18824 11837 1 20 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.337 -0.354 18824 11838 1 20 . 1 1 30 30 GLY H H 30 8.403 8.403 8.588 -0.185 18824 11839 1 20 . 1 1 31 31 GLU N N 31 119.753 119.753 125.188 -5.435 18824 11840 1 20 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.288 -0.005 18824 11841 1 20 . 1 1 31 31 GLU C C 31 175.939 175.939 176.324 -0.385 18824 11842 1 20 . 1 1 31 31 GLU CA C 31 54.431 54.431 55.769 -1.337 18824 11843 1 20 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.583 1.760 18824 11844 1 20 . 1 1 31 31 GLU H H 31 9.060 9.060 8.139 0.921 18824 11845 1 20 . 1 1 32 32 LYS N N 32 124.046 124.046 124.592 -0.546 18824 11846 1 20 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.091 -0.177 18824 11847 1 20 . 1 1 32 32 LYS C C 32 177.776 177.776 177.368 0.408 18824 11848 1 20 . 1 1 32 32 LYS CA C 32 57.714 57.714 57.343 0.371 18824 11849 1 20 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.877 -1.046 18824 11850 1 20 . 1 1 32 32 LYS H H 32 8.424 8.424 8.694 -0.270 18824 11851 1 20 . 1 1 33 33 GLY N N 33 113.177 113.177 112.822 0.355 18824 11852 1 20 . 1 1 33 33 GLY C C 33 173.408 173.408 175.170 -1.762 18824 11853 1 20 . 1 1 33 33 GLY CA C 33 45.033 45.033 45.918 -0.885 18824 11854 1 20 . 1 1 33 33 GLY H H 33 8.856 8.856 8.497 0.359 18824 11855 1 20 . 1 1 34 34 LYS N N 34 118.719 118.719 121.183 -2.464 18824 11856 1 20 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.599 0.041 18824 11857 1 20 . 1 1 34 34 LYS C C 34 176.528 176.528 177.979 -1.451 18824 11858 1 20 . 1 1 34 34 LYS CA C 34 54.557 54.557 56.602 -2.045 18824 11859 1 20 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.554 1.308 18824 11860 1 20 . 1 1 34 34 LYS H H 34 7.790 7.790 7.642 0.148 18824 11861 1 20 . 1 1 35 35 LEU N N 35 124.084 124.084 115.223 8.861 18824 11862 1 20 . 1 1 35 35 LEU HA H 35 4.485 4.485 3.920 0.565 18824 11863 1 20 . 1 1 35 35 LEU C C 35 177.646 177.646 177.036 0.610 18824 11864 1 20 . 1 1 35 35 LEU CA C 35 54.662 54.662 56.693 -2.031 18824 11865 1 20 . 1 1 35 35 LEU CB C 35 42.676 42.676 40.378 2.298 18824 11866 1 20 . 1 1 35 35 LEU H H 35 8.759 8.759 8.241 0.518 18824 11867 1 20 . 1 1 36 36 GLY N N 36 110.962 110.962 104.542 6.420 18824 11868 1 20 . 1 1 36 36 GLY C C 36 173.070 173.070 173.529 -0.459 18824 11869 1 20 . 1 1 36 36 GLY CA C 36 44.526 44.526 44.714 -0.188 18824 11870 1 20 . 1 1 36 36 GLY H H 36 8.533 8.533 7.982 0.551 18824 11871 1 20 . 1 1 37 37 GLN N N 37 117.136 117.136 119.735 -2.599 18824 11872 1 20 . 1 1 37 37 GLN HA H 37 4.489 4.489 5.091 -0.602 18824 11873 1 20 . 1 1 37 37 GLN C C 37 173.925 173.925 175.224 -1.299 18824 11874 1 20 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.916 -0.110 18824 11875 1 20 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.228 0.615 18824 11876 1 20 . 1 1 37 37 GLN H H 37 8.885 8.885 8.103 0.782 18824 11877 1 20 . 1 1 38 38 TYR N N 38 119.053 119.053 119.812 -0.759 18824 11878 1 20 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.181 0.014 18824 11879 1 20 . 1 1 38 38 TYR C C 38 176.110 176.110 175.925 0.185 18824 11880 1 20 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.077 -0.847 18824 11881 1 20 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.056 -0.074 18824 11882 1 20 . 1 1 38 38 TYR H H 38 8.719 8.719 9.148 -0.429 18824 11883 1 20 . 1 1 39 39 ILE N N 39 120.624 120.624 122.970 -2.346 18824 11884 1 20 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.493 -0.243 18824 11885 1 20 . 1 1 39 39 ILE C C 39 175.797 175.797 176.986 -1.189 18824 11886 1 20 . 1 1 39 39 ILE CA C 39 60.231 60.231 61.852 -1.621 18824 11887 1 20 . 1 1 39 39 ILE CB C 39 35.394 35.394 35.787 -0.393 18824 11888 1 20 . 1 1 39 39 ILE H H 39 9.208 9.208 8.621 0.587 18824 11889 1 20 . 1 1 40 40 ARG N N 40 130.372 130.372 129.732 0.640 18824 11890 1 20 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.234 -0.147 18824 11891 1 20 . 1 1 40 40 ARG C C 40 174.846 174.846 175.656 -0.810 18824 11892 1 20 . 1 1 40 40 ARG CA C 40 56.610 56.610 57.242 -0.632 18824 11893 1 20 . 1 1 40 40 ARG CB C 40 31.315 31.315 31.622 -0.307 18824 11894 1 20 . 1 1 40 40 ARG H H 40 9.240 9.240 9.078 0.162 18824 11895 1 20 . 1 1 41 41 LEU N N 41 116.642 116.642 118.208 -1.566 18824 11896 1 20 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.587 -0.229 18824 11897 1 20 . 1 1 41 41 LEU C C 41 173.658 173.658 174.481 -0.823 18824 11898 1 20 . 1 1 41 41 LEU CA C 41 54.685 54.685 55.003 -0.318 18824 11899 1 20 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.542 -0.327 18824 11900 1 20 . 1 1 41 41 LEU H H 41 7.130 7.130 7.867 -0.737 18824 11901 1 20 . 1 1 42 42 VAL N N 42 125.934 125.934 123.663 2.271 18824 11902 1 20 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.881 -0.526 18824 11903 1 20 . 1 1 42 42 VAL C C 42 175.548 175.548 174.535 1.013 18824 11904 1 20 . 1 1 42 42 VAL CA C 42 61.253 61.253 59.771 1.482 18824 11905 1 20 . 1 1 42 42 VAL CB C 42 33.223 33.223 34.048 -0.825 18824 11906 1 20 . 1 1 42 42 VAL H H 42 8.731 8.731 8.353 0.378 18824 11907 1 20 . 1 1 43 43 GLU N N 43 128.285 128.285 129.223 -0.938 18824 11908 1 20 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.591 -0.270 18824 11909 1 20 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.500 0.160 18824 11910 1 20 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.563 -0.834 18824 11911 1 20 . 1 1 43 43 GLU H H 43 9.102 9.102 9.079 0.023 18824 11912 1 20 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.499 -0.059 18824 11913 1 20 . 1 1 44 44 PRO C C 44 178.222 178.222 177.380 0.842 18824 11914 1 20 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.576 -0.278 18824 11915 1 20 . 1 1 44 44 PRO CB C 44 31.388 31.388 30.743 0.645 18824 11916 1 20 . 1 1 45 45 GLY N N 45 113.166 113.166 114.756 -1.590 18824 11917 1 20 . 1 1 45 45 GLY C C 45 173.515 173.515 174.341 -0.826 18824 11918 1 20 . 1 1 45 45 GLY CA C 45 45.525 45.525 44.888 0.637 18824 11919 1 20 . 1 1 45 45 GLY H H 45 9.416 9.416 9.672 -0.256 18824 11920 1 20 . 1 1 46 46 SER N N 46 114.219 114.219 116.800 -2.581 18824 11921 1 20 . 1 1 46 46 SER HA H 46 4.670 4.670 5.016 -0.345 18824 11922 1 20 . 1 1 46 46 SER CA C 46 57.103 57.103 55.817 1.286 18824 11923 1 20 . 1 1 46 46 SER CB C 46 64.458 64.458 65.002 -0.544 18824 11924 1 20 . 1 1 46 46 SER H H 46 7.422 7.422 8.134 -0.712 18824 11925 1 20 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.426 -0.139 18824 11926 1 20 . 1 1 47 47 PRO C C 47 179.487 179.487 177.042 2.445 18824 11927 1 20 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.635 0.702 18824 11928 1 20 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.660 0.679 18824 11929 1 20 . 1 1 48 48 ALA N N 48 116.941 116.941 122.068 -5.127 18824 11930 1 20 . 1 1 48 48 ALA HA H 48 3.808 3.808 4.101 -0.293 18824 11931 1 20 . 1 1 48 48 ALA C C 48 177.063 177.063 180.221 -3.158 18824 11932 1 20 . 1 1 48 48 ALA CA C 48 55.110 55.110 54.850 0.260 18824 11933 1 20 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.254 1.920 18824 11934 1 20 . 1 1 48 48 ALA H H 48 7.855 7.855 7.760 0.095 18824 11935 1 20 . 1 1 49 49 GLU N N 49 120.064 120.064 118.917 1.147 18824 11936 1 20 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.260 -0.406 18824 11937 1 20 . 1 1 49 49 GLU C C 49 181.038 181.038 179.299 1.739 18824 11938 1 20 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.955 0.226 18824 11939 1 20 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.512 0.157 18824 11940 1 20 . 1 1 49 49 GLU H H 49 7.732 7.732 7.954 -0.222 18824 11941 1 20 . 1 1 50 50 LYS N N 50 120.570 120.570 118.565 2.005 18824 11942 1 20 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.209 -0.285 18824 11943 1 20 . 1 1 50 50 LYS C C 50 177.580 177.580 177.114 0.466 18824 11944 1 20 . 1 1 50 50 LYS CA C 50 58.780 58.780 57.920 0.860 18824 11945 1 20 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.144 -0.340 18824 11946 1 20 . 1 1 50 50 LYS H H 50 8.156 8.156 7.637 0.519 18824 11947 1 20 . 1 1 51 51 ALA N N 51 117.482 117.482 119.682 -2.200 18824 11948 1 20 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.351 -0.043 18824 11949 1 20 . 1 1 51 51 ALA C C 51 177.509 177.509 176.633 0.876 18824 11950 1 20 . 1 1 51 51 ALA CA C 51 52.118 52.118 51.837 0.281 18824 11951 1 20 . 1 1 51 51 ALA CB C 51 20.195 20.195 20.041 0.153 18824 11952 1 20 . 1 1 51 51 ALA H H 51 7.730 7.730 7.455 0.275 18824 11953 1 20 . 1 1 52 52 GLY N N 52 103.549 103.549 105.813 -2.264 18824 11954 1 20 . 1 1 52 52 GLY C C 52 174.888 174.888 173.308 1.580 18824 11955 1 20 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.787 0.236 18824 11956 1 20 . 1 1 52 52 GLY H H 52 7.513 7.513 7.542 -0.029 18824 11957 1 20 . 1 1 53 53 LEU N N 53 120.806 120.806 120.992 -0.186 18824 11958 1 20 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.617 -0.761 18824 11959 1 20 . 1 1 53 53 LEU C C 53 174.692 174.692 174.478 0.214 18824 11960 1 20 . 1 1 53 53 LEU CA C 53 55.190 55.190 53.971 1.219 18824 11961 1 20 . 1 1 53 53 LEU CB C 53 42.994 42.994 43.225 -0.231 18824 11962 1 20 . 1 1 53 53 LEU H H 53 7.420 7.420 7.627 -0.207 18824 11963 1 20 . 1 1 54 54 LEU N N 54 122.726 122.726 124.186 -1.460 18824 11964 1 20 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.853 -0.348 18824 11965 1 20 . 1 1 54 54 LEU C C 54 176.350 176.350 176.485 -0.135 18824 11966 1 20 . 1 1 54 54 LEU CA C 54 52.981 52.981 52.701 0.280 18824 11967 1 20 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.433 -0.869 18824 11968 1 20 . 1 1 54 54 LEU H H 54 8.546 8.546 8.429 0.117 18824 11969 1 20 . 1 1 55 55 ALA N N 55 122.735 122.735 125.206 -2.471 18824 11970 1 20 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.549 -0.818 18824 11971 1 20 . 1 1 55 55 ALA C C 55 179.077 179.077 176.955 2.122 18824 11972 1 20 . 1 1 55 55 ALA CA C 55 53.000 53.000 52.785 0.215 18824 11973 1 20 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.549 -0.481 18824 11974 1 20 . 1 1 55 55 ALA H H 55 8.551 8.551 8.659 -0.108 18824 11975 1 20 . 1 1 56 56 GLY N N 56 112.553 112.553 107.008 5.545 18824 11976 1 20 . 1 1 56 56 GLY C C 56 174.638 174.638 173.820 0.818 18824 11977 1 20 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.178 -0.697 18824 11978 1 20 . 1 1 56 56 GLY H H 56 9.450 9.450 8.123 1.327 18824 11979 1 20 . 1 1 57 57 ASP N N 57 121.912 121.912 121.868 0.044 18824 11980 1 20 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.878 -0.331 18824 11981 1 20 . 1 1 57 57 ASP C C 57 174.539 174.539 174.415 0.124 18824 11982 1 20 . 1 1 57 57 ASP CA C 57 55.157 55.157 55.162 -0.005 18824 11983 1 20 . 1 1 57 57 ASP CB C 57 41.484 41.484 42.389 -0.905 18824 11984 1 20 . 1 1 57 57 ASP H H 57 7.948 7.948 7.842 0.106 18824 11985 1 20 . 1 1 58 58 ARG N N 58 122.512 122.512 122.689 -0.177 18824 11986 1 20 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.482 -0.501 18824 11987 1 20 . 1 1 58 58 ARG C C 58 175.512 175.512 174.780 0.732 18824 11988 1 20 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.177 -0.008 18824 11989 1 20 . 1 1 58 58 ARG CB C 58 32.435 32.435 32.251 0.184 18824 11990 1 20 . 1 1 58 58 ARG H H 58 8.570 8.570 8.492 0.078 18824 11991 1 20 . 1 1 59 59 LEU N N 59 126.506 126.506 128.576 -2.070 18824 11992 1 20 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.401 -0.342 18824 11993 1 20 . 1 1 59 59 LEU C C 59 174.420 174.420 175.610 -1.190 18824 11994 1 20 . 1 1 59 59 LEU CA C 59 55.179 55.179 54.923 0.256 18824 11995 1 20 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.088 0.387 18824 11996 1 20 . 1 1 59 59 LEU H H 59 7.917 7.917 8.856 -0.939 18824 11997 1 20 . 1 1 60 60 VAL N N 60 124.914 124.914 126.681 -1.767 18824 11998 1 20 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.404 -0.494 18824 11999 1 20 . 1 1 60 60 VAL CA C 60 63.788 63.788 63.854 -0.066 18824 12000 1 20 . 1 1 60 60 VAL CB C 60 32.805 32.805 32.639 0.166 18824 12001 1 20 . 1 1 60 60 VAL H H 60 8.781 8.781 9.089 -0.308 18824 12002 1 20 . 1 1 61 61 GLU N N 61 112.868 112.868 118.964 -6.096 18824 12003 1 20 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.094 0.118 18824 12004 1 20 . 1 1 61 61 GLU C C 61 175.717 175.717 174.170 1.547 18824 12005 1 20 . 1 1 61 61 GLU CA C 61 54.186 54.186 54.909 -0.723 18824 12006 1 20 . 1 1 61 61 GLU CB C 61 34.458 34.458 34.029 0.429 18824 12007 1 20 . 1 1 61 61 GLU H H 61 7.332 7.332 7.917 -0.585 18824 12008 1 20 . 1 1 62 62 VAL N N 62 118.357 118.357 123.540 -5.183 18824 12009 1 20 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.649 -0.327 18824 12010 1 20 . 1 1 62 62 VAL C C 62 175.495 175.495 175.858 -0.363 18824 12011 1 20 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.995 -0.245 18824 12012 1 20 . 1 1 62 62 VAL CB C 62 33.376 33.376 33.373 0.003 18824 12013 1 20 . 1 1 62 62 VAL H H 62 8.342 8.342 8.777 -0.435 18824 12014 1 20 . 1 1 63 63 ASN N N 63 129.063 129.063 127.310 1.753 18824 12015 1 20 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.344 -0.165 18824 12016 1 20 . 1 1 63 63 ASN C C 63 175.051 175.051 175.516 -0.465 18824 12017 1 20 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.574 -0.930 18824 12018 1 20 . 1 1 63 63 ASN CB C 63 36.328 36.328 36.305 0.023 18824 12019 1 20 . 1 1 63 63 ASN H H 63 9.830 9.830 9.455 0.375 18824 12020 1 20 . 1 1 64 64 GLY N N 64 103.346 103.346 103.565 -0.219 18824 12021 1 20 . 1 1 64 64 GLY C C 64 173.276 173.276 173.282 -0.006 18824 12022 1 20 . 1 1 64 64 GLY CA C 64 45.043 45.043 44.933 0.110 18824 12023 1 20 . 1 1 64 64 GLY H H 64 9.222 9.222 9.049 0.173 18824 12024 1 20 . 1 1 65 65 GLU N N 65 119.230 119.230 121.016 -1.786 18824 12025 1 20 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.528 -0.039 18824 12026 1 20 . 1 1 65 65 GLU C C 65 174.745 174.745 174.759 -0.014 18824 12027 1 20 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.842 -0.151 18824 12028 1 20 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.387 -1.585 18824 12029 1 20 . 1 1 65 65 GLU H H 65 7.553 7.553 7.543 0.010 18824 12030 1 20 . 1 1 66 66 ASN N N 66 123.478 123.478 125.274 -1.796 18824 12031 1 20 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.725 -0.037 18824 12032 1 20 . 1 1 66 66 ASN C C 66 176.144 176.144 176.084 0.060 18824 12033 1 20 . 1 1 66 66 ASN CA C 66 55.224 55.224 53.855 1.369 18824 12034 1 20 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.835 0.754 18824 12035 1 20 . 1 1 66 66 ASN H H 66 8.865 8.865 8.924 -0.059 18824 12036 1 20 . 1 1 67 67 VAL N N 67 117.695 117.695 120.338 -2.643 18824 12037 1 20 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.469 0.034 18824 12038 1 20 . 1 1 67 67 VAL C C 67 177.475 177.475 176.866 0.609 18824 12039 1 20 . 1 1 67 67 VAL CA C 67 59.756 59.756 61.612 -1.856 18824 12040 1 20 . 1 1 67 67 VAL CB C 67 31.321 31.321 31.788 -0.467 18824 12041 1 20 . 1 1 67 67 VAL H H 67 8.210 8.210 8.960 -0.750 18824 12042 1 20 . 1 1 68 68 GLU N N 68 122.899 122.899 121.944 0.955 18824 12043 1 20 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.085 -0.164 18824 12044 1 20 . 1 1 68 68 GLU C C 68 177.348 177.348 176.262 1.086 18824 12045 1 20 . 1 1 68 68 GLU CA C 68 59.762 59.762 58.892 0.870 18824 12046 1 20 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.293 1.917 18824 12047 1 20 . 1 1 68 68 GLU H H 68 8.427 8.427 8.223 0.204 18824 12048 1 20 . 1 1 69 69 LYS N N 69 113.848 113.848 113.598 0.250 18824 12049 1 20 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.524 -0.110 18824 12050 1 20 . 1 1 69 69 LYS C C 69 176.510 176.510 176.158 0.352 18824 12051 1 20 . 1 1 69 69 LYS CA C 69 54.675 54.675 55.361 -0.686 18824 12052 1 20 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.390 -0.628 18824 12053 1 20 . 1 1 69 69 LYS H H 69 8.576 8.576 7.720 0.856 18824 12054 1 20 . 1 1 70 70 GLU N N 70 119.980 119.980 121.479 -1.499 18824 12055 1 20 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.571 -0.210 18824 12056 1 20 . 1 1 70 70 GLU C C 70 176.831 176.831 175.419 1.412 18824 12057 1 20 . 1 1 70 70 GLU CA C 70 56.329 56.329 54.389 1.940 18824 12058 1 20 . 1 1 70 70 GLU CB C 70 31.293 31.293 31.456 -0.163 18824 12059 1 20 . 1 1 70 70 GLU H H 70 6.994 6.994 7.569 -0.575 18824 12060 1 20 . 1 1 71 71 THR N N 71 110.696 110.696 108.786 1.910 18824 12061 1 20 . 1 1 71 71 THR HA H 71 4.270 4.270 4.667 -0.397 18824 12062 1 20 . 1 1 71 71 THR C C 71 174.812 174.812 175.210 -0.398 18824 12063 1 20 . 1 1 71 71 THR CA C 71 60.267 60.267 59.915 0.352 18824 12064 1 20 . 1 1 71 71 THR CB C 71 71.497 71.497 71.762 -0.265 18824 12065 1 20 . 1 1 71 71 THR H H 71 8.675 8.675 7.957 0.718 18824 12066 1 20 . 1 1 72 72 HIS N N 72 118.876 118.876 121.632 -2.756 18824 12067 1 20 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.464 -0.880 18824 12068 1 20 . 1 1 72 72 HIS C C 72 175.802 175.802 177.546 -1.744 18824 12069 1 20 . 1 1 72 72 HIS CA C 72 60.717 60.717 60.868 -0.151 18824 12070 1 20 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.922 -1.638 18824 12071 1 20 . 1 1 72 72 HIS H H 72 9.171 9.171 8.810 0.361 18824 12072 1 20 . 1 1 73 73 GLN N N 73 115.563 115.563 117.719 -2.156 18824 12073 1 20 . 1 1 73 73 GLN HA H 73 3.769 3.769 3.975 -0.206 18824 12074 1 20 . 1 1 73 73 GLN C C 73 179.060 179.060 178.547 0.513 18824 12075 1 20 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.435 -0.692 18824 12076 1 20 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.319 -0.526 18824 12077 1 20 . 1 1 73 73 GLN H H 73 8.666 8.666 8.767 -0.101 18824 12078 1 20 . 1 1 74 74 GLN N N 74 119.687 119.687 119.338 0.349 18824 12079 1 20 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.027 -0.190 18824 12080 1 20 . 1 1 74 74 GLN C C 74 179.309 179.309 178.807 0.502 18824 12081 1 20 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.844 -0.122 18824 12082 1 20 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.883 -0.129 18824 12083 1 20 . 1 1 74 74 GLN H H 74 7.614 7.614 7.764 -0.150 18824 12084 1 20 . 1 1 75 75 VAL N N 75 120.633 120.633 120.549 0.084 18824 12085 1 20 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.598 -0.274 18824 12086 1 20 . 1 1 75 75 VAL C C 75 178.031 178.031 177.894 0.137 18824 12087 1 20 . 1 1 75 75 VAL CA C 75 67.423 67.423 66.510 0.913 18824 12088 1 20 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.537 -0.468 18824 12089 1 20 . 1 1 75 75 VAL H H 75 8.289 8.289 8.253 0.036 18824 12090 1 20 . 1 1 76 76 VAL N N 76 118.966 118.966 119.496 -0.530 18824 12091 1 20 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.523 -0.195 18824 12092 1 20 . 1 1 76 76 VAL C C 76 178.739 178.739 178.099 0.640 18824 12093 1 20 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.314 0.545 18824 12094 1 20 . 1 1 76 76 VAL CB C 76 30.847 30.847 30.569 0.278 18824 12095 1 20 . 1 1 76 76 VAL H H 76 8.364 8.364 7.986 0.378 18824 12096 1 20 . 1 1 77 77 SER N N 77 115.158 115.158 115.208 -0.050 18824 12097 1 20 . 1 1 77 77 SER HA H 77 3.994 3.994 4.095 -0.101 18824 12098 1 20 . 1 1 77 77 SER C C 77 176.849 176.849 176.705 0.144 18824 12099 1 20 . 1 1 77 77 SER CA C 77 62.162 62.162 61.715 0.446 18824 12100 1 20 . 1 1 77 77 SER CB C 77 62.232 62.232 62.972 -0.740 18824 12101 1 20 . 1 1 77 77 SER H H 77 7.871 7.871 8.356 -0.485 18824 12102 1 20 . 1 1 78 78 ARG N N 78 121.310 121.310 120.523 0.787 18824 12103 1 20 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.042 -0.120 18824 12104 1 20 . 1 1 78 78 ARG C C 78 179.309 179.309 178.778 0.531 18824 12105 1 20 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.946 -0.197 18824 12106 1 20 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.116 0.163 18824 12107 1 20 . 1 1 78 78 ARG H H 78 7.469 7.469 7.497 -0.028 18824 12108 1 20 . 1 1 79 79 ILE N N 79 119.383 119.383 120.252 -0.869 18824 12109 1 20 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.723 -0.320 18824 12110 1 20 . 1 1 79 79 ILE C C 79 178.364 178.364 178.399 -0.035 18824 12111 1 20 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.480 -0.190 18824 12112 1 20 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.645 -0.422 18824 12113 1 20 . 1 1 79 79 ILE H H 79 7.759 7.759 8.054 -0.295 18824 12114 1 20 . 1 1 80 80 ARG N N 80 119.497 119.497 118.795 0.702 18824 12115 1 20 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.124 -0.146 18824 12116 1 20 . 1 1 80 80 ARG C C 80 177.544 177.544 177.373 0.171 18824 12117 1 20 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.396 1.334 18824 12118 1 20 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.586 0.242 18824 12119 1 20 . 1 1 80 80 ARG H H 80 8.407 8.407 8.056 0.351 18824 12120 1 20 . 1 1 81 81 ALA N N 81 118.814 118.814 120.188 -1.374 18824 12121 1 20 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.147 -0.086 18824 12122 1 20 . 1 1 81 81 ALA C C 81 177.473 177.473 177.529 -0.056 18824 12123 1 20 . 1 1 81 81 ALA CA C 81 52.806 52.806 53.373 -0.568 18824 12124 1 20 . 1 1 81 81 ALA CB C 81 18.604 18.604 18.635 -0.031 18824 12125 1 20 . 1 1 81 81 ALA H H 81 7.392 7.392 7.213 0.179 18824 12126 1 20 . 1 1 82 82 ALA N N 82 121.771 121.771 120.913 0.858 18824 12127 1 20 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.278 0.032 18824 12128 1 20 . 1 1 82 82 ALA C C 82 177.384 177.384 177.385 -0.001 18824 12129 1 20 . 1 1 82 82 ALA CA C 82 51.604 51.604 51.927 -0.323 18824 12130 1 20 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.633 -2.042 18824 12131 1 20 . 1 1 82 82 ALA H H 82 7.182 7.182 7.344 -0.162 18824 12132 1 20 . 1 1 83 83 LEU N N 83 122.357 122.357 123.371 -1.014 18824 12133 1 20 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.192 -0.201 18824 12134 1 20 . 1 1 83 83 LEU C C 83 177.366 177.366 178.419 -1.053 18824 12135 1 20 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.477 -0.500 18824 12136 1 20 . 1 1 83 83 LEU CB C 83 40.986 40.986 41.549 -0.563 18824 12137 1 20 . 1 1 83 83 LEU H H 83 8.171 8.171 8.691 -0.520 18824 12138 1 20 . 1 1 84 84 ASN N N 84 114.897 114.897 115.134 -0.237 18824 12139 1 20 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.847 -0.229 18824 12140 1 20 . 1 1 84 84 ASN C C 84 173.651 173.651 174.415 -0.764 18824 12141 1 20 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.341 0.853 18824 12142 1 20 . 1 1 84 84 ASN CB C 84 39.903 39.903 40.212 -0.309 18824 12143 1 20 . 1 1 84 84 ASN H H 84 8.565 8.565 8.337 0.228 18824 12144 1 20 . 1 1 85 85 ALA N N 85 124.026 124.026 120.704 3.322 18824 12145 1 20 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.359 -0.288 18824 12146 1 20 . 1 1 85 85 ALA C C 85 175.751 175.751 175.337 0.414 18824 12147 1 20 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.400 0.710 18824 12148 1 20 . 1 1 85 85 ALA CB C 85 21.156 21.156 21.572 -0.416 18824 12149 1 20 . 1 1 85 85 ALA H H 85 7.808 7.808 7.485 0.323 18824 12150 1 20 . 1 1 86 86 VAL N N 86 116.130 116.130 116.551 -0.421 18824 12151 1 20 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.578 0.014 18824 12152 1 20 . 1 1 86 86 VAL C C 86 171.876 171.876 174.397 -2.521 18824 12153 1 20 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.255 0.493 18824 12154 1 20 . 1 1 86 86 VAL CB C 86 34.893 34.893 34.686 0.207 18824 12155 1 20 . 1 1 86 86 VAL H H 86 8.432 8.432 8.334 0.098 18824 12156 1 20 . 1 1 87 87 ARG N N 87 124.913 124.913 121.950 2.963 18824 12157 1 20 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.773 0.225 18824 12158 1 20 . 1 1 87 87 ARG C C 87 175.316 175.316 174.899 0.417 18824 12159 1 20 . 1 1 87 87 ARG CA C 87 53.991 53.991 54.663 -0.672 18824 12160 1 20 . 1 1 87 87 ARG CB C 87 31.805 31.805 31.798 0.007 18824 12161 1 20 . 1 1 87 87 ARG H H 87 8.255 8.255 9.136 -0.881 18824 12162 1 20 . 1 1 88 88 LEU N N 88 125.141 125.141 125.342 -0.201 18824 12163 1 20 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.923 0.027 18824 12164 1 20 . 1 1 88 88 LEU C C 88 173.836 173.836 175.015 -1.179 18824 12165 1 20 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.459 -1.078 18824 12166 1 20 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.333 -0.381 18824 12167 1 20 . 1 1 88 88 LEU H H 88 9.041 9.041 9.050 -0.009 18824 12168 1 20 . 1 1 89 89 LEU N N 89 126.927 126.927 127.826 -0.899 18824 12169 1 20 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.993 0.184 18824 12170 1 20 . 1 1 89 89 LEU C C 89 175.726 175.726 174.984 0.742 18824 12171 1 20 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.609 0.100 18824 12172 1 20 . 1 1 89 89 LEU CB C 89 43.514 43.514 43.817 -0.303 18824 12173 1 20 . 1 1 89 89 LEU H H 89 8.484 8.484 8.815 -0.331 18824 12174 1 20 . 1 1 90 90 VAL N N 90 119.770 119.770 121.531 -1.761 18824 12175 1 20 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.343 0.096 18824 12176 1 20 . 1 1 90 90 VAL C C 90 174.157 174.157 173.494 0.663 18824 12177 1 20 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.942 -0.971 18824 12178 1 20 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.741 1.115 18824 12179 1 20 . 1 1 90 90 VAL H H 90 9.001 9.001 8.245 0.756 18824 12180 1 20 . 1 1 91 91 VAL N N 91 112.698 112.698 120.516 -7.818 18824 12181 1 20 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.523 0.186 18824 12182 1 20 . 1 1 91 91 VAL C C 91 173.993 173.993 173.971 0.022 18824 12183 1 20 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.813 -0.830 18824 12184 1 20 . 1 1 91 91 VAL CB C 91 35.466 35.466 36.601 -1.135 18824 12185 1 20 . 1 1 91 91 VAL H H 91 8.011 8.011 8.439 -0.428 18824 12186 1 20 . 1 1 92 92 ASP N N 92 127.066 127.066 129.258 -2.192 18824 12187 1 20 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.882 0.124 18824 12188 1 20 . 1 1 92 92 ASP CA C 92 53.078 53.078 53.775 -0.697 18824 12189 1 20 . 1 1 92 92 ASP CB C 92 39.764 39.764 40.562 -0.798 18824 12190 1 20 . 1 1 92 92 ASP H H 92 7.878 7.878 8.725 -0.847 18824 12191 1 20 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.263 0.140 18824 12192 1 20 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.191 0.673 18824 12193 1 20 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.880 0.341 18824 12194 1 20 . 1 1 94 94 GLU N N 94 119.504 119.504 115.423 4.081 18824 12195 1 20 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.072 -0.022 18824 12196 1 20 . 1 1 94 94 GLU C C 94 179.182 179.182 178.444 0.738 18824 12197 1 20 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.672 -0.454 18824 12198 1 20 . 1 1 94 94 GLU CB C 94 28.950 28.950 28.277 0.673 18824 12199 1 20 . 1 1 94 94 GLU H H 94 8.156 8.156 8.835 -0.679 18824 12200 1 20 . 1 1 95 95 THR N N 95 120.651 120.651 116.429 4.222 18824 12201 1 20 . 1 1 95 95 THR HA H 95 3.751 3.751 4.155 -0.404 18824 12202 1 20 . 1 1 95 95 THR C C 95 175.888 175.888 176.372 -0.484 18824 12203 1 20 . 1 1 95 95 THR CA C 95 65.764 65.764 66.216 -0.452 18824 12204 1 20 . 1 1 95 95 THR CB C 95 67.338 67.338 68.601 -1.263 18824 12205 1 20 . 1 1 95 95 THR H H 95 8.315 8.315 7.447 0.868 18824 12206 1 20 . 1 1 96 96 ASP N N 96 120.554 120.554 121.429 -0.875 18824 12207 1 20 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.308 -0.075 18824 12208 1 20 . 1 1 96 96 ASP C C 96 178.275 178.275 177.946 0.329 18824 12209 1 20 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.658 -1.437 18824 12210 1 20 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.981 0.057 18824 12211 1 20 . 1 1 96 96 ASP H H 96 8.381 8.381 8.569 -0.188 18824 12212 1 20 . 1 1 97 97 GLU N N 97 117.457 117.457 118.943 -1.486 18824 12213 1 20 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.979 -0.114 18824 12214 1 20 . 1 1 97 97 GLU C C 97 178.790 178.790 179.123 -0.333 18824 12215 1 20 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.268 -0.059 18824 12216 1 20 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.408 -0.362 18824 12217 1 20 . 1 1 97 97 GLU H H 97 7.727 7.727 7.753 -0.026 18824 12218 1 20 . 1 1 98 98 GLN N N 98 118.704 118.704 118.691 0.013 18824 12219 1 20 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.106 -0.132 18824 12220 1 20 . 1 1 98 98 GLN C C 98 178.756 178.756 178.761 -0.005 18824 12221 1 20 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.496 -0.256 18824 12222 1 20 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.564 -0.632 18824 12223 1 20 . 1 1 98 98 GLN H H 98 7.733 7.733 7.638 0.095 18824 12224 1 20 . 1 1 99 99 LEU N N 99 119.242 119.242 120.181 -0.939 18824 12225 1 20 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.764 0.150 18824 12226 1 20 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.401 0.319 18824 12227 1 20 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.226 -1.343 18824 12228 1 20 . 1 1 99 99 LEU H H 99 8.494 8.494 8.063 0.431 18824 12229 1 20 . 1 1 100 100 GLN N N 100 118.689 118.689 116.814 1.875 18824 12230 1 20 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.040 -0.076 18824 12231 1 20 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.417 0.217 18824 12232 1 20 . 1 1 100 100 GLN CB C 100 27.718 27.718 27.995 -0.277 18824 12233 1 20 . 1 1 100 100 GLN H H 100 8.202 8.202 8.507 -0.305 18824 12234 1 20 . 1 1 101 101 LYS N N 101 120.369 120.369 119.446 0.923 18824 12235 1 20 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.146 -0.212 18824 12236 1 20 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.189 0.553 18824 12237 1 20 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.075 -0.214 18824 12238 1 20 . 1 1 101 101 LYS H H 101 7.783 7.783 7.638 0.145 18824 12239 1 20 . 1 1 102 102 LEU N N 102 117.862 117.862 116.940 0.922 18824 12240 1 20 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.297 -0.140 18824 12241 1 20 . 1 1 102 102 LEU C C 102 177.526 177.526 177.242 0.284 18824 12242 1 20 . 1 1 102 102 LEU CA C 102 55.174 55.174 54.587 0.587 18824 12243 1 20 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.106 0.860 18824 12244 1 20 . 1 1 102 102 LEU H H 102 7.512 7.512 7.220 0.292 18824 12245 1 20 . 1 1 103 103 GLY N N 103 108.863 108.863 108.303 0.560 18824 12246 1 20 . 1 1 103 103 GLY C C 103 174.353 174.353 175.191 -0.838 18824 12247 1 20 . 1 1 103 103 GLY CA C 103 45.565 45.565 45.479 0.086 18824 12248 1 20 . 1 1 103 103 GLY H H 103 7.851 7.851 7.429 0.422 18824 12249 1 20 . 1 1 104 104 VAL N N 104 120.506 120.506 116.281 4.225 18824 12250 1 20 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.409 -0.557 18824 12251 1 20 . 1 1 104 104 VAL CA C 104 61.751 61.751 60.437 1.315 18824 12252 1 20 . 1 1 104 104 VAL CB C 104 32.824 32.824 32.898 -0.074 18824 12253 1 20 . 1 1 104 104 VAL H H 104 7.726 7.726 7.351 0.375 18824 12254 1 20 . 1 1 105 105 GLN N N 105 124.776 124.776 121.352 3.424 18824 12255 1 20 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.736 -0.629 18824 12256 1 20 . 1 1 105 105 GLN CA C 105 55.170 55.170 54.504 0.666 18824 12257 1 20 . 1 1 105 105 GLN CB C 105 28.783 28.783 28.399 0.384 18824 12258 1 20 . 1 1 105 105 GLN H H 105 8.245 8.245 8.661 -0.416 18824 12259 1 20 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.858 -0.397 18824 12260 1 20 . 1 1 106 106 VAL C C 106 179.182 179.182 176.730 2.452 18824 12261 1 20 . 1 1 106 106 VAL CA C 106 64.553 64.553 64.393 0.160 18824 12262 1 20 . 1 1 106 106 VAL CB C 106 30.309 30.309 32.146 -1.837 18824 12263 1 20 . 1 1 106 106 VAL H H 106 8.504 8.504 8.572 -0.068 18824 12264 1 20 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.077 0.164 18824 12265 1 20 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.357 -0.738 18824 12266 1 20 . 1 1 108 108 GLU CA C 108 59.746 59.746 56.846 2.900 18824 12267 1 20 . 1 1 108 108 GLU CB C 108 29.234 29.234 31.319 -2.085 18824 12268 1 20 . 1 1 108 108 GLU H H 108 8.690 8.690 7.853 0.837 18824 12269 1 20 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.116 -0.074 18824 12270 1 20 . 1 1 110 110 LEU CA C 110 56.360 56.360 56.437 -0.077 18824 12271 1 20 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.151 0.968 18824 12272 1 20 . 1 1 111 111 LEU N N 111 116.974 116.974 115.461 1.513 18824 12273 1 20 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.128 -0.045 18824 12274 1 20 . 1 1 111 111 LEU C C 111 177.598 177.598 178.434 -0.836 18824 12275 1 20 . 1 1 111 111 LEU CA C 111 55.628 55.628 56.114 -0.486 18824 12276 1 20 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.891 -0.914 18824 12277 1 20 . 1 1 111 111 LEU H H 111 7.791 7.791 7.071 0.720 18824 12278 1 20 . 1 1 112 112 ARG N N 112 119.231 119.231 119.223 0.008 18824 12279 1 20 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.245 -0.093 18824 12280 1 20 . 1 1 112 112 ARG C C 112 176.246 176.246 176.848 -0.602 18824 12281 1 20 . 1 1 112 112 ARG CA C 112 56.180 56.180 57.804 -1.624 18824 12282 1 20 . 1 1 112 112 ARG CB C 112 30.340 30.340 31.874 -1.534 18824 12283 1 20 . 1 1 112 112 ARG H H 112 7.528 7.528 7.701 -0.173 18824 12284 1 20 . 1 1 113 113 ALA N N 113 123.896 123.896 122.602 1.294 18824 12285 1 20 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.443 -0.304 18824 12286 1 20 . 1 1 113 113 ALA C C 113 177.783 177.783 176.958 0.825 18824 12287 1 20 . 1 1 113 113 ALA CA C 113 52.649 52.649 51.704 0.945 18824 12288 1 20 . 1 1 113 113 ALA CB C 113 18.618 18.618 18.024 0.594 18824 12289 1 20 . 1 1 113 113 ALA H H 113 7.954 7.954 8.067 -0.113 18824 12290 1 20 . 1 1 114 114 GLN N N 114 118.555 118.555 123.065 -4.510 18824 12291 1 20 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.513 -0.354 18824 12292 1 20 . 1 1 114 114 GLN C C 114 175.815 175.815 174.848 0.967 18824 12293 1 20 . 1 1 114 114 GLN CA C 114 55.551 55.551 55.359 0.192 18824 12294 1 20 . 1 1 114 114 GLN CB C 114 29.023 29.023 28.367 0.656 18824 12295 1 20 . 1 1 114 114 GLN H H 114 8.121 8.121 8.342 -0.221 18824 12296 1 20 . 1 1 115 115 GLU N N 115 121.589 121.589 118.618 2.971 18824 12297 1 20 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.602 -0.472 18824 12298 1 20 . 1 1 115 115 GLU C C 115 175.637 175.637 175.315 0.322 18824 12299 1 20 . 1 1 115 115 GLU CA C 115 55.779 55.779 55.767 0.012 18824 12300 1 20 . 1 1 115 115 GLU CB C 115 30.038 30.038 31.161 -1.123 18824 12301 1 20 . 1 1 115 115 GLU H H 115 8.164 8.164 8.003 0.161 18824 12302 1 20 . 1 1 116 116 ALA N N 116 126.435 126.435 125.186 1.249 18824 12303 1 20 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.674 -0.215 18824 12304 1 20 . 1 1 116 116 ALA CA C 116 50.094 50.094 49.711 0.383 18824 12305 1 20 . 1 1 116 116 ALA CB C 116 17.622 17.622 19.109 -1.487 18824 12306 1 20 . 1 1 116 116 ALA H H 116 8.266 8.266 8.505 -0.239 18824 12307 1 20 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.432 -0.128 18824 12308 1 20 . 1 1 117 117 PRO C C 117 177.580 177.580 176.257 1.323 18824 12309 1 20 . 1 1 117 117 PRO CA C 117 62.789 62.789 62.968 -0.179 18824 12310 1 20 . 1 1 117 117 PRO CB C 117 31.812 31.812 30.838 0.974 18824 12311 1 20 . 1 1 118 118 GLY N N 118 109.304 109.304 111.633 -2.329 18824 12312 1 20 . 1 1 118 118 GLY C C 118 173.872 173.872 173.169 0.703 18824 12313 1 20 . 1 1 118 118 GLY CA C 118 45.014 45.014 44.984 0.030 18824 12314 1 20 . 1 1 118 118 GLY H H 118 8.425 8.425 7.965 0.460 18824 12315 1 20 . 1 1 119 119 GLN N N 119 120.070 120.070 116.370 3.700 18824 12316 1 20 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.035 0.179 18824 12317 1 20 . 1 1 119 119 GLN C C 119 174.692 174.692 175.715 -1.023 18824 12318 1 20 . 1 1 119 119 GLN CA C 119 55.442 55.442 57.444 -2.002 18824 12319 1 20 . 1 1 119 119 GLN CB C 119 29.308 29.308 27.125 2.183 18824 12320 1 20 . 1 1 119 119 GLN H H 119 8.081 8.081 9.062 -0.981 18824 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 102 2.573 0.848 2.441 18824 2 1 1 "Average Difference" HA 126 0.288 0.101 0.271 18824 3 1 1 "Average Difference" C 95 0.994 -0.075 0.997 18824 4 1 1 "Average Difference" CA 113 1.020 0.183 1.008 18824 5 1 1 "Average Difference" CB 100 0.995 0.099 0.995 18824 6 1 1 "Average Difference" HN 104 0.501 0.007 0.503 18824 7 1 2 "Average Difference" N 102 2.656 0.873 2.520 18824 8 1 2 "Average Difference" HA 126 0.304 0.119 0.280 18824 9 1 2 "Average Difference" C 95 0.909 -0.088 0.909 18824 10 1 2 "Average Difference" CA 113 0.873 0.028 0.876 18824 11 1 2 "Average Difference" CB 100 1.067 0.163 1.060 18824 12 1 2 "Average Difference" HN 104 0.469 0.039 0.469 18824 13 1 3 "Average Difference" N 102 2.614 0.486 2.581 18824 14 1 3 "Average Difference" HA 126 0.303 0.105 0.286 18824 15 1 3 "Average Difference" C 95 0.935 -0.145 0.929 18824 16 1 3 "Average Difference" CA 113 0.929 0.147 0.921 18824 17 1 3 "Average Difference" CB 100 1.068 0.262 1.041 18824 18 1 3 "Average Difference" HN 104 0.518 -0.001 0.521 18824 19 1 4 "Average Difference" N 102 2.713 0.546 2.671 18824 20 1 4 "Average Difference" HA 126 0.308 0.109 0.290 18824 21 1 4 "Average Difference" C 95 1.014 -0.065 1.017 18824 22 1 4 "Average Difference" CA 113 1.177 0.112 1.177 18824 23 1 4 "Average Difference" CB 100 1.084 0.165 1.077 18824 24 1 4 "Average Difference" HN 104 0.537 0.019 0.539 18824 25 1 5 "Average Difference" N 102 2.566 0.620 2.503 18824 26 1 5 "Average Difference" HA 126 0.299 0.111 0.279 18824 27 1 5 "Average Difference" C 95 0.910 -0.129 0.906 18824 28 1 5 "Average Difference" CA 113 0.996 0.098 0.995 18824 29 1 5 "Average Difference" CB 100 1.131 0.249 1.108 18824 30 1 5 "Average Difference" HN 104 0.512 -0.033 0.513 18824 31 1 6 "Average Difference" N 102 2.661 0.339 2.653 18824 32 1 6 "Average Difference" HA 126 0.313 0.098 0.298 18824 33 1 6 "Average Difference" C 95 0.958 -0.106 0.957 18824 34 1 6 "Average Difference" CA 113 0.970 0.060 0.973 18824 35 1 6 "Average Difference" CB 100 1.025 0.242 1.001 18824 36 1 6 "Average Difference" HN 104 0.488 -0.015 0.490 18824 37 1 7 "Average Difference" N 102 2.878 0.644 2.819 18824 38 1 7 "Average Difference" HA 126 0.312 0.108 0.294 18824 39 1 7 "Average Difference" C 95 0.929 -0.084 0.930 18824 40 1 7 "Average Difference" CA 113 1.085 0.122 1.083 18824 41 1 7 "Average Difference" CB 100 1.066 0.194 1.053 18824 42 1 7 "Average Difference" HN 104 0.506 -0.007 0.508 18824 43 1 8 "Average Difference" N 102 2.694 0.835 2.574 18824 44 1 8 "Average Difference" HA 126 0.302 0.098 0.287 18824 45 1 8 "Average Difference" C 95 0.966 -0.103 0.966 18824 46 1 8 "Average Difference" CA 113 0.989 0.109 0.988 18824 47 1 8 "Average Difference" CB 100 1.010 0.197 0.996 18824 48 1 8 "Average Difference" HN 104 0.524 0.029 0.526 18824 49 1 9 "Average Difference" N 102 2.673 0.446 2.649 18824 50 1 9 "Average Difference" HA 126 0.290 0.093 0.276 18824 51 1 9 "Average Difference" C 95 0.955 -0.084 0.956 18824 52 1 9 "Average Difference" CA 113 1.080 0.195 1.067 18824 53 1 9 "Average Difference" CB 100 1.064 0.217 1.047 18824 54 1 9 "Average Difference" HN 104 0.511 0.041 0.512 18824 55 1 10 "Average Difference" N 102 2.850 0.500 2.819 18824 56 1 10 "Average Difference" HA 126 0.301 0.100 0.285 18824 57 1 10 "Average Difference" C 95 0.983 -0.110 0.982 18824 58 1 10 "Average Difference" CA 113 1.069 0.109 1.068 18824 59 1 10 "Average Difference" CB 100 1.099 0.158 1.093 18824 60 1 10 "Average Difference" HN 104 0.494 0.017 0.496 18824 61 1 11 "Average Difference" N 102 2.618 0.750 2.520 18824 62 1 11 "Average Difference" HA 126 0.285 0.088 0.272 18824 63 1 11 "Average Difference" C 95 0.997 -0.137 0.993 18824 64 1 11 "Average Difference" CA 113 1.151 0.143 1.148 18824 65 1 11 "Average Difference" CB 100 1.121 0.183 1.112 18824 66 1 11 "Average Difference" HN 104 0.539 0.008 0.542 18824 67 1 12 "Average Difference" N 102 2.463 0.520 2.420 18824 68 1 12 "Average Difference" HA 126 0.300 0.111 0.280 18824 69 1 12 "Average Difference" C 95 0.959 -0.156 0.951 18824 70 1 12 "Average Difference" CA 113 0.900 0.027 0.904 18824 71 1 12 "Average Difference" CB 100 1.081 0.270 1.052 18824 72 1 12 "Average Difference" HN 104 0.484 0.000 0.486 18824 73 1 13 "Average Difference" N 102 2.511 0.524 2.468 18824 74 1 13 "Average Difference" HA 126 0.303 0.098 0.288 18824 75 1 13 "Average Difference" C 95 0.943 -0.029 0.947 18824 76 1 13 "Average Difference" CA 113 1.063 0.118 1.061 18824 77 1 13 "Average Difference" CB 100 1.024 0.248 0.999 18824 78 1 13 "Average Difference" HN 104 0.481 0.023 0.482 18824 79 1 14 "Average Difference" N 102 2.660 0.732 2.570 18824 80 1 14 "Average Difference" HA 126 0.302 0.086 0.291 18824 81 1 14 "Average Difference" C 95 0.963 -0.156 0.955 18824 82 1 14 "Average Difference" CA 113 1.045 0.144 1.040 18824 83 1 14 "Average Difference" CB 100 1.033 0.087 1.035 18824 84 1 14 "Average Difference" HN 104 0.497 0.020 0.499 18824 85 1 15 "Average Difference" N 102 2.619 0.489 2.586 18824 86 1 15 "Average Difference" HA 126 0.311 0.096 0.297 18824 87 1 15 "Average Difference" C 95 0.979 -0.142 0.973 18824 88 1 15 "Average Difference" CA 113 0.966 0.070 0.968 18824 89 1 15 "Average Difference" CB 100 1.160 0.154 1.155 18824 90 1 15 "Average Difference" HN 104 0.520 0.013 0.523 18824 91 1 16 "Average Difference" N 102 2.739 0.752 2.647 18824 92 1 16 "Average Difference" HA 126 0.312 0.102 0.296 18824 93 1 16 "Average Difference" C 95 1.004 -0.109 1.003 18824 94 1 16 "Average Difference" CA 113 1.038 0.128 1.034 18824 95 1 16 "Average Difference" CB 100 1.103 0.284 1.071 18824 96 1 16 "Average Difference" HN 104 0.492 0.022 0.493 18824 97 1 17 "Average Difference" N 102 2.682 0.904 2.538 18824 98 1 17 "Average Difference" HA 126 0.307 0.113 0.287 18824 99 1 17 "Average Difference" C 95 0.978 -0.094 0.978 18824 100 1 17 "Average Difference" CA 113 1.025 0.074 1.027 18824 101 1 17 "Average Difference" CB 100 0.999 0.203 0.983 18824 102 1 17 "Average Difference" HN 104 0.495 0.064 0.493 18824 103 1 18 "Average Difference" N 102 2.605 0.311 2.599 18824 104 1 18 "Average Difference" HA 126 0.297 0.091 0.284 18824 105 1 18 "Average Difference" C 95 0.918 -0.117 0.915 18824 106 1 18 "Average Difference" CA 113 0.999 0.144 0.993 18824 107 1 18 "Average Difference" CB 100 1.011 0.184 0.999 18824 108 1 18 "Average Difference" HN 104 0.512 0.018 0.514 18824 109 1 19 "Average Difference" N 102 2.515 0.619 2.450 18824 110 1 19 "Average Difference" HA 126 0.292 0.118 0.268 18824 111 1 19 "Average Difference" C 95 0.996 -0.113 0.995 18824 112 1 19 "Average Difference" CA 113 0.981 0.077 0.982 18824 113 1 19 "Average Difference" CB 100 1.038 0.222 1.019 18824 114 1 19 "Average Difference" HN 104 0.509 0.040 0.510 18824 115 1 20 "Average Difference" N 102 2.708 0.352 2.698 18824 116 1 20 "Average Difference" HA 126 0.320 0.132 0.293 18824 117 1 20 "Average Difference" C 95 1.030 -0.087 1.032 18824 118 1 20 "Average Difference" CA 113 1.022 0.049 1.025 18824 119 1 20 "Average Difference" CB 100 1.031 0.191 1.018 18824 120 1 20 "Average Difference" HN 104 0.528 -0.005 0.530 18824 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 18824 _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 5 5 ILE N N 5 119.691 119.691 122.059 -2.368 18824 2 1 . 1 1 5 5 ILE HA H 5 4.058 4.058 4.289 -0.231 18824 3 1 . 1 1 5 5 ILE C C 5 175.649 175.649 175.257 0.392 18824 4 1 . 1 1 5 5 ILE CA C 5 60.596 60.596 61.110 -0.514 18824 5 1 . 1 1 5 5 ILE CB C 5 38.674 38.674 39.418 -0.744 18824 6 1 . 1 1 5 5 ILE H H 5 8.370 8.370 8.154 0.216 18824 7 1 . 1 1 6 6 ASP N N 6 126.564 126.564 127.567 -1.003 18824 8 1 . 1 1 6 6 ASP HA H 6 4.690 4.690 4.846 -0.156 18824 9 1 . 1 1 6 6 ASP CA C 6 52.261 52.261 51.962 0.299 18824 10 1 . 1 1 6 6 ASP CB C 6 40.555 40.555 42.321 -1.766 18824 11 1 . 1 1 6 6 ASP H H 6 8.373 8.373 8.486 -0.113 18824 12 1 . 1 1 7 7 PRO HA H 7 4.160 4.160 4.211 -0.051 18824 13 1 . 1 1 7 7 PRO C C 7 176.417 176.417 175.696 0.721 18824 14 1 . 1 1 7 7 PRO CA C 7 63.051 63.051 63.808 -0.757 18824 15 1 . 1 1 7 7 PRO CB C 7 31.680 31.680 32.276 -0.595 18824 16 1 . 1 1 8 8 PHE N N 8 117.858 117.858 115.254 2.604 18824 17 1 . 1 1 8 8 PHE HA H 8 4.544 4.544 4.673 -0.129 18824 18 1 . 1 1 8 8 PHE CA C 8 57.253 57.253 57.753 -0.500 18824 19 1 . 1 1 8 8 PHE CB C 8 38.444 38.444 42.063 -3.619 18824 20 1 . 1 1 8 8 PHE H H 8 7.974 7.974 7.568 0.406 18824 21 1 . 1 1 9 9 THR N N 9 112.459 112.459 118.049 -5.590 18824 22 1 . 1 1 9 9 THR HA H 9 4.338 4.338 4.520 -0.182 18824 23 1 . 1 1 9 9 THR C C 9 175.888 175.888 173.774 2.114 18824 24 1 . 1 1 9 9 THR CA C 9 60.827 60.827 62.148 -1.321 18824 25 1 . 1 1 9 9 THR CB C 9 69.387 69.387 69.786 -0.399 18824 26 1 . 1 1 9 9 THR H H 9 7.927 7.927 8.450 -0.523 18824 27 1 . 1 1 10 10 MET N N 10 121.338 121.338 123.257 -1.919 18824 28 1 . 1 1 10 10 MET HA H 10 4.310 4.310 4.260 0.050 18824 29 1 . 1 1 10 10 MET C C 10 174.386 174.386 174.689 -0.303 18824 30 1 . 1 1 10 10 MET CA C 10 52.415 52.415 55.819 -3.404 18824 31 1 . 1 1 10 10 MET H H 10 7.648 7.648 8.539 -0.891 18824 32 1 . 1 1 11 11 LEU HA H 11 4.690 4.690 4.632 0.058 18824 33 1 . 1 1 11 11 LEU CA C 11 52.606 52.606 53.150 -0.544 18824 34 1 . 1 1 11 11 LEU CB C 11 44.079 44.079 40.780 3.299 18824 35 1 . 1 1 12 12 PRO HA H 12 4.617 4.617 4.572 0.045 18824 36 1 . 1 1 12 12 PRO CA C 12 62.265 62.265 62.741 -0.475 18824 37 1 . 1 1 12 12 PRO CB C 12 31.826 31.826 32.837 -1.011 18824 38 1 . 1 1 13 13 ARG N N 13 118.005 118.005 118.878 -0.873 18824 39 1 . 1 1 13 13 ARG HA H 13 4.384 4.384 4.620 -0.236 18824 40 1 . 1 1 13 13 ARG C C 13 173.498 173.498 174.797 -1.299 18824 41 1 . 1 1 13 13 ARG CA C 13 54.675 54.675 54.457 0.218 18824 42 1 . 1 1 13 13 ARG CB C 13 32.565 32.565 33.140 -0.575 18824 43 1 . 1 1 13 13 ARG H H 13 8.484 8.484 8.266 0.218 18824 44 1 . 1 1 14 14 LEU N N 14 124.897 124.897 124.696 0.201 18824 45 1 . 1 1 14 14 LEU HA H 14 4.868 4.868 4.419 0.449 18824 46 1 . 1 1 14 14 LEU C C 14 176.144 176.144 176.249 -0.105 18824 47 1 . 1 1 14 14 LEU CA C 14 53.047 53.047 54.671 -1.624 18824 48 1 . 1 1 14 14 LEU CB C 14 42.957 42.957 42.442 0.515 18824 49 1 . 1 1 14 14 LEU H H 14 8.520 8.520 8.556 -0.036 18824 50 1 . 1 1 15 15 CYS N N 15 127.167 127.167 127.334 -0.167 18824 51 1 . 1 1 15 15 CYS HA H 15 4.591 4.591 4.592 -0.001 18824 52 1 . 1 1 15 15 CYS C C 15 173.408 173.408 174.036 -0.628 18824 53 1 . 1 1 15 15 CYS CA C 15 57.454 57.454 58.367 -0.913 18824 54 1 . 1 1 15 15 CYS CB C 15 29.325 29.325 27.321 2.004 18824 55 1 . 1 1 15 15 CYS H H 15 9.247 9.247 9.118 0.129 18824 56 1 . 1 1 16 16 CYS N N 16 125.133 125.133 126.170 -1.037 18824 57 1 . 1 1 16 16 CYS HA H 16 4.736 4.736 5.266 -0.530 18824 58 1 . 1 1 16 16 CYS C C 16 172.784 172.784 174.347 -1.563 18824 59 1 . 1 1 16 16 CYS CA C 16 58.040 58.040 57.487 0.553 18824 60 1 . 1 1 16 16 CYS CB C 16 27.242 27.242 27.318 -0.076 18824 61 1 . 1 1 16 16 CYS H H 16 9.049 9.049 8.876 0.173 18824 62 1 . 1 1 17 17 LEU N N 17 124.624 124.624 123.076 1.548 18824 63 1 . 1 1 17 17 LEU HA H 17 4.652 4.652 4.948 -0.296 18824 64 1 . 1 1 17 17 LEU C C 17 175.672 175.672 175.292 0.380 18824 65 1 . 1 1 17 17 LEU CA C 17 55.224 55.224 53.349 1.875 18824 66 1 . 1 1 17 17 LEU CB C 17 44.042 44.042 44.641 -0.599 18824 67 1 . 1 1 17 17 LEU H H 17 8.750 8.750 8.404 0.346 18824 68 1 . 1 1 18 18 GLU N N 18 121.610 121.610 119.900 1.710 18824 69 1 . 1 1 18 18 GLU HA H 18 4.760 4.760 4.730 0.030 18824 70 1 . 1 1 18 18 GLU C C 18 175.548 175.548 175.893 -0.345 18824 71 1 . 1 1 18 18 GLU CA C 18 54.861 54.861 55.054 -0.193 18824 72 1 . 1 1 18 18 GLU CB C 18 31.312 31.312 31.795 -0.483 18824 73 1 . 1 1 18 18 GLU H H 18 8.304 8.304 8.553 -0.249 18824 74 1 . 1 1 19 19 LYS N N 19 123.922 123.922 126.874 -2.952 18824 75 1 . 1 1 19 19 LYS HA H 19 3.110 3.110 3.668 -0.558 18824 76 1 . 1 1 19 19 LYS C C 19 176.635 176.635 176.454 0.181 18824 77 1 . 1 1 19 19 LYS CA C 19 58.488 58.488 56.249 2.239 18824 78 1 . 1 1 19 19 LYS CB C 19 32.325 32.325 32.466 -0.141 18824 79 1 . 1 1 19 19 LYS H H 19 8.131 8.131 8.566 -0.435 18824 80 1 . 1 1 20 20 GLY N N 20 112.282 112.282 114.545 -2.263 18824 81 1 . 1 1 20 20 GLY CA C 20 44.045 44.045 43.980 0.065 18824 82 1 . 1 1 20 20 GLY H H 20 6.955 6.955 8.644 -1.689 18824 83 1 . 1 1 21 21 PRO HA H 21 4.177 4.177 4.336 -0.159 18824 84 1 . 1 1 21 21 PRO C C 21 177.081 177.081 176.451 0.630 18824 85 1 . 1 1 21 21 PRO CA C 21 64.322 64.322 64.663 -0.341 18824 86 1 . 1 1 21 21 PRO CB C 21 31.581 31.581 31.727 -0.145 18824 87 1 . 1 1 22 22 ASN N N 22 114.637 114.637 115.455 -0.818 18824 88 1 . 1 1 22 22 ASN HA H 22 4.919 4.919 4.765 0.154 18824 89 1 . 1 1 22 22 ASN C C 22 175.102 175.102 175.274 -0.172 18824 90 1 . 1 1 22 22 ASN CA C 22 51.618 51.618 52.202 -0.584 18824 91 1 . 1 1 22 22 ASN CB C 22 38.930 38.930 38.458 0.472 18824 92 1 . 1 1 22 22 ASN H H 22 8.462 8.462 7.919 0.543 18824 93 1 . 1 1 23 23 GLY N N 23 107.193 107.193 108.720 -1.527 18824 94 1 . 1 1 23 23 GLY C C 23 174.932 174.932 173.740 1.192 18824 95 1 . 1 1 23 23 GLY CA C 23 44.426 44.426 45.650 -1.224 18824 96 1 . 1 1 23 23 GLY H H 23 7.499 7.499 7.721 -0.222 18824 97 1 . 1 1 24 24 TYR N N 24 119.910 119.910 122.616 -2.706 18824 98 1 . 1 1 24 24 TYR HA H 24 4.309 4.309 4.846 -0.537 18824 99 1 . 1 1 24 24 TYR C C 24 177.188 177.188 176.082 1.106 18824 100 1 . 1 1 24 24 TYR CA C 24 60.745 60.745 57.949 2.796 18824 101 1 . 1 1 24 24 TYR CB C 24 40.447 40.447 40.426 0.021 18824 102 1 . 1 1 24 24 TYR H H 24 8.894 8.894 8.333 0.560 18824 103 1 . 1 1 25 25 GLY N N 25 104.016 104.016 105.774 -1.758 18824 104 1 . 1 1 25 25 GLY C C 25 173.020 173.020 173.056 -0.036 18824 105 1 . 1 1 25 25 GLY CA C 25 45.521 45.521 45.289 0.232 18824 106 1 . 1 1 25 25 GLY H H 25 8.394 8.394 8.309 0.085 18824 107 1 . 1 1 26 26 PHE N N 26 110.891 110.891 117.147 -6.256 18824 108 1 . 1 1 26 26 PHE HA H 26 5.639 5.639 5.778 -0.139 18824 109 1 . 1 1 26 26 PHE C C 26 172.250 172.250 173.670 -1.420 18824 110 1 . 1 1 26 26 PHE CA C 26 54.106 54.106 54.392 -0.287 18824 111 1 . 1 1 26 26 PHE CB C 26 41.690 41.690 41.954 -0.264 18824 112 1 . 1 1 26 26 PHE H H 26 6.711 6.711 7.491 -0.780 18824 113 1 . 1 1 27 27 HIS N N 27 118.261 118.261 120.015 -1.754 18824 114 1 . 1 1 27 27 HIS HA H 27 4.784 4.784 4.812 -0.028 18824 115 1 . 1 1 27 27 HIS C C 27 174.659 174.659 173.608 1.051 18824 116 1 . 1 1 27 27 HIS CA C 27 54.557 54.557 55.091 -0.534 18824 117 1 . 1 1 27 27 HIS CB C 27 32.844 32.844 33.126 -0.281 18824 118 1 . 1 1 27 27 HIS H H 27 7.964 7.964 9.318 -1.354 18824 119 1 . 1 1 28 28 LEU N N 28 125.694 125.694 124.870 0.824 18824 120 1 . 1 1 28 28 LEU HA H 28 5.485 5.485 5.259 0.226 18824 121 1 . 1 1 28 28 LEU C C 28 176.849 176.849 175.802 1.047 18824 122 1 . 1 1 28 28 LEU CA C 28 53.663 53.663 53.654 0.009 18824 123 1 . 1 1 28 28 LEU CB C 28 45.031 45.031 45.224 -0.193 18824 124 1 . 1 1 28 28 LEU H H 28 9.554 9.554 8.752 0.802 18824 125 1 . 1 1 29 29 HIS N N 29 119.263 119.263 120.694 -1.431 18824 126 1 . 1 1 29 29 HIS HA H 29 4.761 4.761 5.097 -0.336 18824 127 1 . 1 1 29 29 HIS C C 29 173.447 173.447 173.889 -0.442 18824 128 1 . 1 1 29 29 HIS CA C 29 55.791 55.791 53.887 1.904 18824 129 1 . 1 1 29 29 HIS CB C 29 32.836 32.836 33.149 -0.313 18824 130 1 . 1 1 29 29 HIS H H 29 9.625 9.625 9.460 0.165 18824 131 1 . 1 1 30 30 GLY N N 30 110.254 110.254 109.556 0.698 18824 132 1 . 1 1 30 30 GLY C C 30 172.917 172.917 173.782 -0.865 18824 133 1 . 1 1 30 30 GLY CA C 30 43.983 43.983 44.229 -0.245 18824 134 1 . 1 1 30 30 GLY H H 30 8.403 8.403 8.657 -0.254 18824 135 1 . 1 1 31 31 GLU N N 31 119.753 119.753 122.538 -2.785 18824 136 1 . 1 1 31 31 GLU HA H 31 4.283 4.283 4.260 0.023 18824 137 1 . 1 1 31 31 GLU C C 31 175.939 175.939 176.364 -0.425 18824 138 1 . 1 1 31 31 GLU CA C 31 54.431 54.431 56.355 -1.924 18824 139 1 . 1 1 31 31 GLU CB C 31 32.343 32.343 30.612 1.731 18824 140 1 . 1 1 31 31 GLU H H 31 9.060 9.060 8.473 0.587 18824 141 1 . 1 1 32 32 LYS N N 32 124.046 124.046 123.634 0.412 18824 142 1 . 1 1 32 32 LYS HA H 32 3.914 3.914 4.165 -0.251 18824 143 1 . 1 1 32 32 LYS C C 32 177.776 177.776 177.334 0.442 18824 144 1 . 1 1 32 32 LYS CA C 32 57.714 57.714 57.128 0.586 18824 145 1 . 1 1 32 32 LYS CB C 32 31.831 31.831 32.333 -0.502 18824 146 1 . 1 1 32 32 LYS H H 32 8.424 8.424 8.577 -0.153 18824 147 1 . 1 1 33 33 GLY N N 33 113.177 113.177 113.641 -0.464 18824 148 1 . 1 1 33 33 GLY C C 33 173.408 173.408 174.353 -0.945 18824 149 1 . 1 1 33 33 GLY CA C 33 45.033 45.033 45.136 -0.103 18824 150 1 . 1 1 33 33 GLY H H 33 8.856 8.856 8.636 0.220 18824 151 1 . 1 1 34 34 LYS N N 34 118.719 118.719 120.337 -1.618 18824 152 1 . 1 1 34 34 LYS HA H 34 4.640 4.640 4.508 0.132 18824 153 1 . 1 1 34 34 LYS C C 34 176.528 176.528 176.518 0.010 18824 154 1 . 1 1 34 34 LYS CA C 34 54.557 54.557 55.739 -1.182 18824 155 1 . 1 1 34 34 LYS CB C 34 34.863 34.863 33.423 1.439 18824 156 1 . 1 1 34 34 LYS H H 34 7.790 7.790 7.764 0.026 18824 157 1 . 1 1 35 35 LEU N N 35 124.084 124.084 115.610 8.474 18824 158 1 . 1 1 35 35 LEU HA H 35 4.485 4.485 4.724 -0.239 18824 159 1 . 1 1 35 35 LEU C C 35 177.646 177.646 176.139 1.507 18824 160 1 . 1 1 35 35 LEU CA C 35 54.662 54.662 54.261 0.400 18824 161 1 . 1 1 35 35 LEU CB C 35 42.676 42.676 42.320 0.356 18824 162 1 . 1 1 35 35 LEU H H 35 8.759 8.759 8.564 0.195 18824 163 1 . 1 1 36 36 GLY N N 36 110.962 110.962 106.002 4.960 18824 164 1 . 1 1 36 36 GLY C C 36 173.070 173.070 172.780 0.290 18824 165 1 . 1 1 36 36 GLY CA C 36 44.526 44.526 44.050 0.476 18824 166 1 . 1 1 36 36 GLY H H 36 8.533 8.533 7.549 0.984 18824 167 1 . 1 1 37 37 GLN N N 37 117.136 117.136 118.944 -1.808 18824 168 1 . 1 1 37 37 GLN HA H 37 4.489 4.489 4.693 -0.204 18824 169 1 . 1 1 37 37 GLN C C 37 173.925 173.925 174.730 -0.805 18824 170 1 . 1 1 37 37 GLN CA C 37 53.806 53.806 53.846 -0.040 18824 171 1 . 1 1 37 37 GLN CB C 37 31.843 31.843 31.410 0.433 18824 172 1 . 1 1 37 37 GLN H H 37 8.885 8.885 8.222 0.663 18824 173 1 . 1 1 38 38 TYR N N 38 119.053 119.053 119.074 -0.021 18824 174 1 . 1 1 38 38 TYR HA H 38 5.195 5.195 5.101 0.094 18824 175 1 . 1 1 38 38 TYR C C 38 176.110 176.110 175.493 0.617 18824 176 1 . 1 1 38 38 TYR CA C 38 55.230 55.230 56.144 -0.914 18824 177 1 . 1 1 38 38 TYR CB C 38 41.982 41.982 42.191 -0.209 18824 178 1 . 1 1 38 38 TYR H H 38 8.719 8.719 9.073 -0.354 18824 179 1 . 1 1 39 39 ILE N N 39 120.624 120.624 122.254 -1.630 18824 180 1 . 1 1 39 39 ILE HA H 39 4.250 4.250 4.392 -0.142 18824 181 1 . 1 1 39 39 ILE C C 39 175.797 175.797 176.717 -0.920 18824 182 1 . 1 1 39 39 ILE CA C 39 60.231 60.231 62.116 -1.885 18824 183 1 . 1 1 39 39 ILE CB C 39 35.394 35.394 36.381 -0.987 18824 184 1 . 1 1 39 39 ILE H H 39 9.208 9.208 8.888 0.320 18824 185 1 . 1 1 40 40 ARG N N 40 130.372 130.372 128.819 1.553 18824 186 1 . 1 1 40 40 ARG HA H 40 4.087 4.087 4.313 -0.226 18824 187 1 . 1 1 40 40 ARG C C 40 174.846 174.846 175.688 -0.842 18824 188 1 . 1 1 40 40 ARG CA C 40 56.610 56.610 56.590 0.020 18824 189 1 . 1 1 40 40 ARG CB C 40 31.315 31.315 32.086 -0.771 18824 190 1 . 1 1 40 40 ARG H H 40 9.240 9.240 9.227 0.013 18824 191 1 . 1 1 41 41 LEU N N 41 116.642 116.642 118.827 -2.185 18824 192 1 . 1 1 41 41 LEU HA H 41 4.358 4.358 4.662 -0.304 18824 193 1 . 1 1 41 41 LEU C C 41 173.658 173.658 174.398 -0.740 18824 194 1 . 1 1 41 41 LEU CA C 41 54.685 54.685 54.844 -0.159 18824 195 1 . 1 1 41 41 LEU CB C 41 45.215 45.215 45.837 -0.622 18824 196 1 . 1 1 41 41 LEU H H 41 7.130 7.130 7.839 -0.710 18824 197 1 . 1 1 42 42 VAL N N 42 125.934 125.934 123.211 2.723 18824 198 1 . 1 1 42 42 VAL HA H 42 4.355 4.355 4.812 -0.457 18824 199 1 . 1 1 42 42 VAL C C 42 175.548 175.548 175.472 0.076 18824 200 1 . 1 1 42 42 VAL CA C 42 61.253 61.253 60.403 0.850 18824 201 1 . 1 1 42 42 VAL CB C 42 33.223 33.223 33.762 -0.539 18824 202 1 . 1 1 42 42 VAL H H 42 8.731 8.731 8.429 0.302 18824 203 1 . 1 1 43 43 GLU N N 43 128.285 128.285 128.750 -0.465 18824 204 1 . 1 1 43 43 GLU HA H 43 4.321 4.321 4.588 -0.267 18824 205 1 . 1 1 43 43 GLU CA C 43 54.660 54.660 54.173 0.487 18824 206 1 . 1 1 43 43 GLU CB C 43 28.729 28.729 29.676 -0.947 18824 207 1 . 1 1 43 43 GLU H H 43 9.102 9.102 9.063 0.039 18824 208 1 . 1 1 44 44 PRO HA H 44 4.440 4.440 4.462 -0.022 18824 209 1 . 1 1 44 44 PRO C C 44 178.222 178.222 177.435 0.787 18824 210 1 . 1 1 44 44 PRO CA C 44 63.298 63.298 63.479 -0.181 18824 211 1 . 1 1 44 44 PRO CB C 44 31.388 31.388 31.086 0.302 18824 212 1 . 1 1 45 45 GLY N N 45 113.166 113.166 114.412 -1.246 18824 213 1 . 1 1 45 45 GLY C C 45 173.515 173.515 174.110 -0.595 18824 214 1 . 1 1 45 45 GLY CA C 45 45.525 45.525 44.966 0.559 18824 215 1 . 1 1 45 45 GLY H H 45 9.416 9.416 9.594 -0.178 18824 216 1 . 1 1 46 46 SER N N 46 114.219 114.219 116.518 -2.299 18824 217 1 . 1 1 46 46 SER HA H 46 4.670 4.670 5.011 -0.341 18824 218 1 . 1 1 46 46 SER CA C 46 57.103 57.103 55.978 1.125 18824 219 1 . 1 1 46 46 SER CB C 46 64.458 64.458 64.766 -0.308 18824 220 1 . 1 1 46 46 SER H H 46 7.422 7.422 7.908 -0.486 18824 221 1 . 1 1 47 47 PRO HA H 47 4.287 4.287 4.388 -0.101 18824 222 1 . 1 1 47 47 PRO C C 47 179.487 179.487 177.469 2.018 18824 223 1 . 1 1 47 47 PRO CA C 47 65.337 65.337 64.729 0.608 18824 224 1 . 1 1 47 47 PRO CB C 47 32.339 32.339 31.719 0.620 18824 225 1 . 1 1 48 48 ALA N N 48 116.941 116.941 122.152 -5.211 18824 226 1 . 1 1 48 48 ALA HA H 48 3.808 3.808 3.995 -0.187 18824 227 1 . 1 1 48 48 ALA C C 48 177.063 177.063 179.396 -2.333 18824 228 1 . 1 1 48 48 ALA CA C 48 55.110 55.110 55.276 -0.166 18824 229 1 . 1 1 48 48 ALA CB C 48 20.174 20.174 18.312 1.862 18824 230 1 . 1 1 48 48 ALA H H 48 7.855 7.855 7.798 0.057 18824 231 1 . 1 1 49 49 GLU N N 49 120.064 120.064 117.697 2.367 18824 232 1 . 1 1 49 49 GLU HA H 49 3.854 3.854 4.080 -0.226 18824 233 1 . 1 1 49 49 GLU C C 49 181.038 181.038 178.914 2.124 18824 234 1 . 1 1 49 49 GLU CA C 49 59.181 59.181 58.919 0.262 18824 235 1 . 1 1 49 49 GLU CB C 49 29.670 29.670 29.502 0.168 18824 236 1 . 1 1 49 49 GLU H H 49 7.732 7.732 7.919 -0.187 18824 237 1 . 1 1 50 50 LYS N N 50 120.570 120.570 117.956 2.614 18824 238 1 . 1 1 50 50 LYS HA H 50 3.924 3.924 4.135 -0.211 18824 239 1 . 1 1 50 50 LYS C C 50 177.580 177.580 177.784 -0.204 18824 240 1 . 1 1 50 50 LYS CA C 50 58.780 58.780 58.205 0.575 18824 241 1 . 1 1 50 50 LYS CB C 50 31.804 31.804 32.220 -0.416 18824 242 1 . 1 1 50 50 LYS H H 50 8.156 8.156 7.525 0.631 18824 243 1 . 1 1 51 51 ALA N N 51 117.482 117.482 118.256 -0.774 18824 244 1 . 1 1 51 51 ALA HA H 51 4.308 4.308 4.293 0.015 18824 245 1 . 1 1 51 51 ALA C C 51 177.509 177.509 176.889 0.620 18824 246 1 . 1 1 51 51 ALA CA C 51 52.118 52.118 52.382 -0.264 18824 247 1 . 1 1 51 51 ALA CB C 51 20.195 20.195 19.796 0.399 18824 248 1 . 1 1 51 51 ALA H H 51 7.730 7.730 7.500 0.230 18824 249 1 . 1 1 52 52 GLY N N 52 103.549 103.549 105.331 -1.782 18824 250 1 . 1 1 52 52 GLY C C 52 174.888 174.888 174.102 0.786 18824 251 1 . 1 1 52 52 GLY CA C 52 45.023 45.023 44.758 0.265 18824 252 1 . 1 1 52 52 GLY H H 52 7.513 7.513 7.477 0.036 18824 253 1 . 1 1 53 53 LEU N N 53 120.806 120.806 121.844 -1.038 18824 254 1 . 1 1 53 53 LEU HA H 53 3.856 3.856 4.474 -0.618 18824 255 1 . 1 1 53 53 LEU C C 53 174.692 174.692 175.438 -0.746 18824 256 1 . 1 1 53 53 LEU CA C 53 55.190 55.190 54.740 0.450 18824 257 1 . 1 1 53 53 LEU CB C 53 42.994 42.994 42.735 0.259 18824 258 1 . 1 1 53 53 LEU H H 53 7.420 7.420 7.864 -0.444 18824 259 1 . 1 1 54 54 LEU N N 54 122.726 122.726 124.030 -1.304 18824 260 1 . 1 1 54 54 LEU HA H 54 4.505 4.505 4.733 -0.228 18824 261 1 . 1 1 54 54 LEU C C 54 176.350 176.350 175.394 0.956 18824 262 1 . 1 1 54 54 LEU CA C 54 52.981 52.981 53.289 -0.308 18824 263 1 . 1 1 54 54 LEU CB C 54 45.564 45.564 46.300 -0.736 18824 264 1 . 1 1 54 54 LEU H H 54 8.546 8.546 8.390 0.156 18824 265 1 . 1 1 55 55 ALA N N 55 122.735 122.735 126.093 -3.358 18824 266 1 . 1 1 55 55 ALA HA H 55 3.731 3.731 4.377 -0.646 18824 267 1 . 1 1 55 55 ALA C C 55 179.077 179.077 177.441 1.636 18824 268 1 . 1 1 55 55 ALA CA C 55 53.000 53.000 53.185 -0.185 18824 269 1 . 1 1 55 55 ALA CB C 55 17.068 17.068 17.898 -0.830 18824 270 1 . 1 1 55 55 ALA H H 55 8.551 8.551 8.623 -0.072 18824 271 1 . 1 1 56 56 GLY N N 56 112.553 112.553 112.639 -0.086 18824 272 1 . 1 1 56 56 GLY C C 56 174.638 174.638 174.303 0.335 18824 273 1 . 1 1 56 56 GLY CA C 56 44.481 44.481 45.001 -0.520 18824 274 1 . 1 1 56 56 GLY H H 56 9.450 9.450 8.436 1.014 18824 275 1 . 1 1 57 57 ASP N N 57 121.912 121.912 123.238 -1.326 18824 276 1 . 1 1 57 57 ASP HA H 57 4.547 4.547 4.653 -0.107 18824 277 1 . 1 1 57 57 ASP C C 57 174.539 174.539 174.918 -0.379 18824 278 1 . 1 1 57 57 ASP CA C 57 55.157 55.157 55.535 -0.378 18824 279 1 . 1 1 57 57 ASP CB C 57 41.484 41.484 41.697 -0.213 18824 280 1 . 1 1 57 57 ASP H H 57 7.948 7.948 7.945 0.003 18824 281 1 . 1 1 58 58 ARG N N 58 122.512 122.512 122.870 -0.359 18824 282 1 . 1 1 58 58 ARG HA H 58 3.981 3.981 4.669 -0.688 18824 283 1 . 1 1 58 58 ARG C C 58 175.512 175.512 175.030 0.482 18824 284 1 . 1 1 58 58 ARG CA C 58 55.169 55.169 55.739 -0.570 18824 285 1 . 1 1 58 58 ARG CB C 58 32.435 32.435 32.054 0.381 18824 286 1 . 1 1 58 58 ARG H H 58 8.570 8.570 8.584 -0.014 18824 287 1 . 1 1 59 59 LEU N N 59 126.506 126.506 128.570 -2.064 18824 288 1 . 1 1 59 59 LEU HA H 59 4.059 4.059 4.399 -0.340 18824 289 1 . 1 1 59 59 LEU C C 59 174.420 174.420 175.345 -0.925 18824 290 1 . 1 1 59 59 LEU CA C 59 55.179 55.179 55.182 -0.003 18824 291 1 . 1 1 59 59 LEU CB C 59 42.475 42.475 42.181 0.294 18824 292 1 . 1 1 59 59 LEU H H 59 7.917 7.917 8.651 -0.734 18824 293 1 . 1 1 60 60 VAL N N 60 124.914 124.914 126.265 -1.351 18824 294 1 . 1 1 60 60 VAL HA H 60 3.910 3.910 4.102 -0.192 18824 295 1 . 1 1 60 60 VAL CA C 60 63.788 63.788 63.912 -0.124 18824 296 1 . 1 1 60 60 VAL CB C 60 32.805 32.805 32.939 -0.134 18824 297 1 . 1 1 60 60 VAL H H 60 8.781 8.781 9.101 -0.320 18824 298 1 . 1 1 61 61 GLU N N 61 112.868 112.868 118.480 -5.612 18824 299 1 . 1 1 61 61 GLU HA H 61 5.212 5.212 5.097 0.115 18824 300 1 . 1 1 61 61 GLU C C 61 175.717 175.717 174.273 1.444 18824 301 1 . 1 1 61 61 GLU CA C 61 54.186 54.186 55.035 -0.849 18824 302 1 . 1 1 61 61 GLU CB C 61 34.458 34.458 34.014 0.444 18824 303 1 . 1 1 61 61 GLU H H 61 7.332 7.332 7.807 -0.475 18824 304 1 . 1 1 62 62 VAL N N 62 118.357 118.357 123.768 -5.411 18824 305 1 . 1 1 62 62 VAL HA H 62 4.322 4.322 4.704 -0.382 18824 306 1 . 1 1 62 62 VAL C C 62 175.495 175.495 175.811 -0.316 18824 307 1 . 1 1 62 62 VAL CA C 62 60.750 60.750 60.893 -0.143 18824 308 1 . 1 1 62 62 VAL CB C 62 33.376 33.376 33.703 -0.327 18824 309 1 . 1 1 62 62 VAL H H 62 8.342 8.342 8.809 -0.467 18824 310 1 . 1 1 63 63 ASN N N 63 129.063 129.063 127.435 1.628 18824 311 1 . 1 1 63 63 ASN HA H 63 4.179 4.179 4.327 -0.149 18824 312 1 . 1 1 63 63 ASN C C 63 175.051 175.051 175.374 -0.323 18824 313 1 . 1 1 63 63 ASN CA C 63 53.644 53.644 54.904 -1.260 18824 314 1 . 1 1 63 63 ASN CB C 63 36.328 36.328 37.569 -1.241 18824 315 1 . 1 1 63 63 ASN H H 63 9.830 9.830 9.526 0.304 18824 316 1 . 1 1 64 64 GLY N N 64 103.346 103.346 103.703 -0.357 18824 317 1 . 1 1 64 64 GLY C C 64 173.276 173.276 173.078 0.198 18824 318 1 . 1 1 64 64 GLY CA C 64 45.043 45.043 45.118 -0.075 18824 319 1 . 1 1 64 64 GLY H H 64 9.222 9.222 8.654 0.568 18824 320 1 . 1 1 65 65 GLU N N 65 119.230 119.230 120.427 -1.197 18824 321 1 . 1 1 65 65 GLU HA H 65 4.489 4.489 4.561 -0.072 18824 322 1 . 1 1 65 65 GLU C C 65 174.745 174.745 174.918 -0.173 18824 323 1 . 1 1 65 65 GLU CA C 65 53.691 53.691 53.643 0.048 18824 324 1 . 1 1 65 65 GLU CB C 65 30.802 30.802 32.539 -1.737 18824 325 1 . 1 1 65 65 GLU H H 65 7.553 7.553 7.553 -0.000 18824 326 1 . 1 1 66 66 ASN N N 66 123.478 123.478 125.304 -1.826 18824 327 1 . 1 1 66 66 ASN HA H 66 4.688 4.688 4.700 -0.012 18824 328 1 . 1 1 66 66 ASN C C 66 176.144 176.144 175.561 0.583 18824 329 1 . 1 1 66 66 ASN CA C 66 55.224 55.224 54.143 1.081 18824 330 1 . 1 1 66 66 ASN CB C 66 39.589 39.589 38.682 0.907 18824 331 1 . 1 1 66 66 ASN H H 66 8.865 8.865 8.910 -0.045 18824 332 1 . 1 1 67 67 VAL N N 67 117.695 117.695 119.226 -1.531 18824 333 1 . 1 1 67 67 VAL HA H 67 4.503 4.503 4.551 -0.048 18824 334 1 . 1 1 67 67 VAL C C 67 177.475 177.475 176.836 0.639 18824 335 1 . 1 1 67 67 VAL CA C 67 59.756 59.756 61.277 -1.521 18824 336 1 . 1 1 67 67 VAL CB C 67 31.321 31.321 31.956 -0.635 18824 337 1 . 1 1 67 67 VAL H H 67 8.210 8.210 8.702 -0.492 18824 338 1 . 1 1 68 68 GLU N N 68 122.899 122.899 122.150 0.749 18824 339 1 . 1 1 68 68 GLU HA H 68 3.921 3.921 4.147 -0.226 18824 340 1 . 1 1 68 68 GLU C C 68 177.348 177.348 176.709 0.639 18824 341 1 . 1 1 68 68 GLU CA C 68 59.762 59.762 59.068 0.694 18824 342 1 . 1 1 68 68 GLU CB C 68 31.210 31.210 29.560 1.650 18824 343 1 . 1 1 68 68 GLU H H 68 8.427 8.427 8.017 0.410 18824 344 1 . 1 1 69 69 LYS N N 69 113.848 113.848 114.596 -0.748 18824 345 1 . 1 1 69 69 LYS HA H 69 4.414 4.414 4.771 -0.357 18824 346 1 . 1 1 69 69 LYS C C 69 176.510 176.510 175.943 0.567 18824 347 1 . 1 1 69 69 LYS CA C 69 54.675 54.675 55.033 -0.358 18824 348 1 . 1 1 69 69 LYS CB C 69 31.762 31.762 32.534 -0.772 18824 349 1 . 1 1 69 69 LYS H H 69 8.576 8.576 7.875 0.701 18824 350 1 . 1 1 70 70 GLU N N 70 119.980 119.980 120.676 -0.696 18824 351 1 . 1 1 70 70 GLU HA H 70 4.361 4.361 4.583 -0.222 18824 352 1 . 1 1 70 70 GLU C C 70 176.831 176.831 175.591 1.240 18824 353 1 . 1 1 70 70 GLU CA C 70 56.329 56.329 54.960 1.369 18824 354 1 . 1 1 70 70 GLU CB C 70 31.293 31.293 31.377 -0.084 18824 355 1 . 1 1 70 70 GLU H H 70 6.994 6.994 7.591 -0.597 18824 356 1 . 1 1 71 71 THR N N 71 110.696 110.696 109.989 0.707 18824 357 1 . 1 1 71 71 THR HA H 71 4.270 4.270 4.694 -0.424 18824 358 1 . 1 1 71 71 THR C C 71 174.812 174.812 175.407 -0.595 18824 359 1 . 1 1 71 71 THR CA C 71 60.267 60.267 60.098 0.169 18824 360 1 . 1 1 71 71 THR CB C 71 71.497 71.497 71.404 0.093 18824 361 1 . 1 1 71 71 THR H H 71 8.675 8.675 8.193 0.482 18824 362 1 . 1 1 72 72 HIS N N 72 118.876 118.876 121.120 -2.244 18824 363 1 . 1 1 72 72 HIS HA H 72 3.584 3.584 4.209 -0.625 18824 364 1 . 1 1 72 72 HIS C C 72 175.802 175.802 177.277 -1.475 18824 365 1 . 1 1 72 72 HIS CA C 72 60.717 60.717 61.127 -0.410 18824 366 1 . 1 1 72 72 HIS CB C 72 28.284 28.284 29.920 -1.636 18824 367 1 . 1 1 72 72 HIS H H 72 9.171 9.171 8.854 0.317 18824 368 1 . 1 1 73 73 GLN N N 73 115.563 115.563 117.877 -2.314 18824 369 1 . 1 1 73 73 GLN HA H 73 3.769 3.769 4.050 -0.281 18824 370 1 . 1 1 73 73 GLN C C 73 179.060 179.060 178.526 0.534 18824 371 1 . 1 1 73 73 GLN CA C 73 58.743 58.743 59.255 -0.512 18824 372 1 . 1 1 73 73 GLN CB C 73 27.793 27.793 28.292 -0.499 18824 373 1 . 1 1 73 73 GLN H H 73 8.666 8.666 8.738 -0.072 18824 374 1 . 1 1 74 74 GLN N N 74 119.687 119.687 118.967 0.720 18824 375 1 . 1 1 74 74 GLN HA H 74 3.837 3.837 4.054 -0.217 18824 376 1 . 1 1 74 74 GLN C C 74 179.309 179.309 178.783 0.526 18824 377 1 . 1 1 74 74 GLN CA C 74 58.723 58.723 58.744 -0.021 18824 378 1 . 1 1 74 74 GLN CB C 74 28.754 28.754 28.796 -0.042 18824 379 1 . 1 1 74 74 GLN H H 74 7.614 7.614 7.788 -0.174 18824 380 1 . 1 1 75 75 VAL N N 75 120.633 120.633 118.603 2.030 18824 381 1 . 1 1 75 75 VAL HA H 75 3.324 3.324 3.681 -0.357 18824 382 1 . 1 1 75 75 VAL C C 75 178.031 178.031 177.826 0.205 18824 383 1 . 1 1 75 75 VAL CA C 75 67.423 67.423 66.154 1.269 18824 384 1 . 1 1 75 75 VAL CB C 75 31.069 31.069 31.342 -0.273 18824 385 1 . 1 1 75 75 VAL H H 75 8.289 8.289 8.046 0.243 18824 386 1 . 1 1 76 76 VAL N N 76 118.966 118.966 120.495 -1.529 18824 387 1 . 1 1 76 76 VAL HA H 76 3.328 3.328 3.484 -0.156 18824 388 1 . 1 1 76 76 VAL C C 76 178.739 178.739 178.043 0.696 18824 389 1 . 1 1 76 76 VAL CA C 76 66.859 66.859 66.703 0.156 18824 390 1 . 1 1 76 76 VAL CB C 76 30.847 30.847 30.896 -0.049 18824 391 1 . 1 1 76 76 VAL H H 76 8.364 8.364 8.133 0.231 18824 392 1 . 1 1 77 77 SER N N 77 115.158 115.158 115.227 -0.069 18824 393 1 . 1 1 77 77 SER HA H 77 3.994 3.994 4.133 -0.139 18824 394 1 . 1 1 77 77 SER C C 77 176.849 176.849 176.689 0.160 18824 395 1 . 1 1 77 77 SER CA C 77 62.162 62.162 61.965 0.197 18824 396 1 . 1 1 77 77 SER CB C 77 62.232 62.232 62.883 -0.651 18824 397 1 . 1 1 77 77 SER H H 77 7.871 7.871 8.110 -0.239 18824 398 1 . 1 1 78 78 ARG N N 78 121.310 121.310 120.966 0.343 18824 399 1 . 1 1 78 78 ARG HA H 78 3.922 3.922 4.074 -0.152 18824 400 1 . 1 1 78 78 ARG C C 78 179.309 179.309 178.885 0.424 18824 401 1 . 1 1 78 78 ARG CA C 78 58.749 58.749 58.883 -0.134 18824 402 1 . 1 1 78 78 ARG CB C 78 30.279 30.279 30.103 0.176 18824 403 1 . 1 1 78 78 ARG H H 78 7.469 7.469 7.408 0.061 18824 404 1 . 1 1 79 79 ILE N N 79 119.383 119.383 120.111 -0.728 18824 405 1 . 1 1 79 79 ILE HA H 79 3.403 3.403 3.751 -0.348 18824 406 1 . 1 1 79 79 ILE C C 79 178.364 178.364 178.476 -0.112 18824 407 1 . 1 1 79 79 ILE CA C 79 64.290 64.290 64.588 -0.298 18824 408 1 . 1 1 79 79 ILE CB C 79 37.224 37.224 37.664 -0.440 18824 409 1 . 1 1 79 79 ILE H H 79 7.759 7.759 8.188 -0.429 18824 410 1 . 1 1 80 80 ARG N N 80 119.497 119.497 118.684 0.813 18824 411 1 . 1 1 80 80 ARG HA H 80 3.978 3.978 4.175 -0.197 18824 412 1 . 1 1 80 80 ARG C C 80 177.544 177.544 177.292 0.252 18824 413 1 . 1 1 80 80 ARG CA C 80 58.730 58.730 57.407 1.323 18824 414 1 . 1 1 80 80 ARG CB C 80 29.828 29.828 29.381 0.447 18824 415 1 . 1 1 80 80 ARG H H 80 8.407 8.407 8.011 0.396 18824 416 1 . 1 1 81 81 ALA N N 81 118.814 118.814 119.823 -1.009 18824 417 1 . 1 1 81 81 ALA HA H 81 4.061 4.061 4.291 -0.230 18824 418 1 . 1 1 81 81 ALA C C 81 177.473 177.473 177.369 0.104 18824 419 1 . 1 1 81 81 ALA CA C 81 52.806 52.806 52.594 0.212 18824 420 1 . 1 1 81 81 ALA CB C 81 18.604 18.604 18.972 -0.368 18824 421 1 . 1 1 81 81 ALA H H 81 7.392 7.392 7.406 -0.014 18824 422 1 . 1 1 82 82 ALA N N 82 121.771 121.771 121.247 0.524 18824 423 1 . 1 1 82 82 ALA HA H 82 4.310 4.310 4.261 0.049 18824 424 1 . 1 1 82 82 ALA C C 82 177.384 177.384 177.332 0.052 18824 425 1 . 1 1 82 82 ALA CA C 82 51.604 51.604 52.146 -0.542 18824 426 1 . 1 1 82 82 ALA CB C 82 17.591 17.591 19.251 -1.660 18824 427 1 . 1 1 82 82 ALA H H 82 7.182 7.182 7.232 -0.051 18824 428 1 . 1 1 83 83 LEU N N 83 122.357 122.357 124.200 -1.843 18824 429 1 . 1 1 83 83 LEU HA H 83 3.991 3.991 4.130 -0.139 18824 430 1 . 1 1 83 83 LEU C C 83 177.366 177.366 178.141 -0.775 18824 431 1 . 1 1 83 83 LEU CA C 83 56.977 56.977 57.425 -0.448 18824 432 1 . 1 1 83 83 LEU CB C 83 40.986 40.986 42.133 -1.147 18824 433 1 . 1 1 83 83 LEU H H 83 8.171 8.171 8.684 -0.513 18824 434 1 . 1 1 84 84 ASN N N 84 114.897 114.897 113.703 1.194 18824 435 1 . 1 1 84 84 ASN HA H 84 4.618 4.618 4.736 -0.118 18824 436 1 . 1 1 84 84 ASN C C 84 173.651 173.651 174.013 -0.362 18824 437 1 . 1 1 84 84 ASN CA C 84 54.194 54.194 53.410 0.783 18824 438 1 . 1 1 84 84 ASN CB C 84 39.903 39.903 39.487 0.416 18824 439 1 . 1 1 84 84 ASN H H 84 8.565 8.565 8.391 0.174 18824 440 1 . 1 1 85 85 ALA N N 85 124.026 124.026 120.896 3.130 18824 441 1 . 1 1 85 85 ALA HA H 85 5.071 5.071 5.115 -0.044 18824 442 1 . 1 1 85 85 ALA C C 85 175.751 175.751 174.882 0.869 18824 443 1 . 1 1 85 85 ALA CA C 85 52.110 52.110 51.500 0.610 18824 444 1 . 1 1 85 85 ALA CB C 85 21.156 21.156 21.983 -0.827 18824 445 1 . 1 1 85 85 ALA H H 85 7.808 7.808 7.473 0.335 18824 446 1 . 1 1 86 86 VAL N N 86 116.130 116.130 119.314 -3.184 18824 447 1 . 1 1 86 86 VAL HA H 86 4.592 4.592 4.496 0.096 18824 448 1 . 1 1 86 86 VAL C C 86 171.876 171.876 174.135 -2.259 18824 449 1 . 1 1 86 86 VAL CA C 86 59.748 59.748 59.633 0.115 18824 450 1 . 1 1 86 86 VAL CB C 86 34.893 34.893 35.821 -0.928 18824 451 1 . 1 1 86 86 VAL H H 86 8.432 8.432 8.788 -0.356 18824 452 1 . 1 1 87 87 ARG N N 87 124.913 124.913 126.477 -1.564 18824 453 1 . 1 1 87 87 ARG HA H 87 4.998 4.998 4.711 0.287 18824 454 1 . 1 1 87 87 ARG C C 87 175.316 175.316 175.063 0.253 18824 455 1 . 1 1 87 87 ARG CA C 87 53.991 53.991 54.889 -0.898 18824 456 1 . 1 1 87 87 ARG CB C 87 31.805 31.805 30.913 0.892 18824 457 1 . 1 1 87 87 ARG H H 87 8.255 8.255 8.826 -0.571 18824 458 1 . 1 1 88 88 LEU N N 88 125.141 125.141 125.629 -0.488 18824 459 1 . 1 1 88 88 LEU HA H 88 4.950 4.950 4.934 0.016 18824 460 1 . 1 1 88 88 LEU C C 88 173.836 173.836 175.018 -1.182 18824 461 1 . 1 1 88 88 LEU CA C 88 52.381 52.381 53.462 -1.081 18824 462 1 . 1 1 88 88 LEU CB C 88 43.952 43.952 44.300 -0.348 18824 463 1 . 1 1 88 88 LEU H H 88 9.041 9.041 9.055 -0.014 18824 464 1 . 1 1 89 89 LEU N N 89 126.927 126.927 127.943 -1.016 18824 465 1 . 1 1 89 89 LEU HA H 89 5.177 5.177 4.969 0.208 18824 466 1 . 1 1 89 89 LEU C C 89 175.726 175.726 174.901 0.825 18824 467 1 . 1 1 89 89 LEU CA C 89 53.709 53.709 53.599 0.110 18824 468 1 . 1 1 89 89 LEU CB C 89 43.514 43.514 43.785 -0.271 18824 469 1 . 1 1 89 89 LEU H H 89 8.484 8.484 8.769 -0.285 18824 470 1 . 1 1 90 90 VAL N N 90 119.770 119.770 122.417 -2.647 18824 471 1 . 1 1 90 90 VAL HA H 90 5.438 5.438 5.404 0.034 18824 472 1 . 1 1 90 90 VAL C C 90 174.157 174.157 173.537 0.620 18824 473 1 . 1 1 90 90 VAL CA C 90 57.971 57.971 58.929 -0.958 18824 474 1 . 1 1 90 90 VAL CB C 90 36.856 36.856 35.687 1.169 18824 475 1 . 1 1 90 90 VAL H H 90 9.001 9.001 8.134 0.867 18824 476 1 . 1 1 91 91 VAL N N 91 112.698 112.698 120.143 -7.445 18824 477 1 . 1 1 91 91 VAL HA H 91 4.709 4.709 4.495 0.214 18824 478 1 . 1 1 91 91 VAL C C 91 173.993 173.993 173.883 0.110 18824 479 1 . 1 1 91 91 VAL CA C 91 58.983 58.983 59.626 -0.643 18824 480 1 . 1 1 91 91 VAL CB C 91 35.466 35.466 36.106 -0.640 18824 481 1 . 1 1 91 91 VAL H H 91 8.011 8.011 8.317 -0.306 18824 482 1 . 1 1 92 92 ASP N N 92 127.066 127.066 128.103 -1.037 18824 483 1 . 1 1 92 92 ASP HA H 92 5.006 5.006 4.863 0.143 18824 484 1 . 1 1 92 92 ASP CA C 92 53.078 53.078 53.217 -0.139 18824 485 1 . 1 1 92 92 ASP CB C 92 39.764 39.764 41.209 -1.445 18824 486 1 . 1 1 92 92 ASP H H 92 7.878 7.878 8.820 -0.942 18824 487 1 . 1 1 93 93 PRO HA H 93 4.403 4.403 4.242 0.161 18824 488 1 . 1 1 93 93 PRO CA C 93 65.864 65.864 65.365 0.499 18824 489 1 . 1 1 93 93 PRO CB C 93 32.221 32.221 31.963 0.258 18824 490 1 . 1 1 94 94 GLU N N 94 119.504 119.504 117.220 2.284 18824 491 1 . 1 1 94 94 GLU HA H 94 4.050 4.050 4.116 -0.066 18824 492 1 . 1 1 94 94 GLU C C 94 179.182 179.182 178.731 0.451 18824 493 1 . 1 1 94 94 GLU CA C 94 59.218 59.218 59.560 -0.342 18824 494 1 . 1 1 94 94 GLU CB C 94 28.950 28.950 28.855 0.096 18824 495 1 . 1 1 94 94 GLU H H 94 8.156 8.156 8.450 -0.294 18824 496 1 . 1 1 95 95 THR N N 95 120.651 120.651 116.542 4.109 18824 497 1 . 1 1 95 95 THR HA H 95 3.751 3.751 4.117 -0.366 18824 498 1 . 1 1 95 95 THR C C 95 175.888 175.888 176.211 -0.323 18824 499 1 . 1 1 95 95 THR CA C 95 65.764 65.764 66.646 -0.882 18824 500 1 . 1 1 95 95 THR CB C 95 67.338 67.338 68.587 -1.249 18824 501 1 . 1 1 95 95 THR H H 95 8.315 8.315 8.263 0.052 18824 502 1 . 1 1 96 96 ASP N N 96 120.554 120.554 121.910 -1.356 18824 503 1 . 1 1 96 96 ASP HA H 96 4.233 4.233 4.305 -0.072 18824 504 1 . 1 1 96 96 ASP C C 96 178.275 178.275 178.084 0.191 18824 505 1 . 1 1 96 96 ASP CA C 96 56.221 56.221 57.808 -1.587 18824 506 1 . 1 1 96 96 ASP CB C 96 41.038 41.038 40.911 0.127 18824 507 1 . 1 1 96 96 ASP H H 96 8.381 8.381 8.598 -0.217 18824 508 1 . 1 1 97 97 GLU N N 97 117.457 117.457 119.096 -1.639 18824 509 1 . 1 1 97 97 GLU HA H 97 3.865 3.865 3.982 -0.117 18824 510 1 . 1 1 97 97 GLU C C 97 178.790 178.790 178.961 -0.171 18824 511 1 . 1 1 97 97 GLU CA C 97 59.209 59.209 59.405 -0.196 18824 512 1 . 1 1 97 97 GLU CB C 97 29.046 29.046 29.550 -0.504 18824 513 1 . 1 1 97 97 GLU H H 97 7.727 7.727 7.834 -0.107 18824 514 1 . 1 1 98 98 GLN N N 98 118.704 118.704 118.369 0.335 18824 515 1 . 1 1 98 98 GLN HA H 98 3.974 3.974 4.117 -0.143 18824 516 1 . 1 1 98 98 GLN C C 98 178.756 178.756 178.543 0.213 18824 517 1 . 1 1 98 98 GLN CA C 98 58.240 58.240 58.342 -0.102 18824 518 1 . 1 1 98 98 GLN CB C 98 27.932 27.932 28.504 -0.572 18824 519 1 . 1 1 98 98 GLN H H 98 7.733 7.733 7.567 0.166 18824 520 1 . 1 1 99 99 LEU N N 99 119.242 119.242 120.662 -1.420 18824 521 1 . 1 1 99 99 LEU HA H 99 3.914 3.914 3.865 0.050 18824 522 1 . 1 1 99 99 LEU CA C 99 57.719 57.719 57.475 0.244 18824 523 1 . 1 1 99 99 LEU CB C 99 39.883 39.883 41.613 -1.730 18824 524 1 . 1 1 99 99 LEU H H 99 8.494 8.494 8.420 0.074 18824 525 1 . 1 1 100 100 GLN N N 100 118.689 118.689 117.698 0.991 18824 526 1 . 1 1 100 100 GLN HA H 100 3.964 3.964 4.068 -0.104 18824 527 1 . 1 1 100 100 GLN CA C 100 58.634 58.634 58.566 0.068 18824 528 1 . 1 1 100 100 GLN CB C 100 27.718 27.718 28.284 -0.566 18824 529 1 . 1 1 100 100 GLN H H 100 8.202 8.202 8.417 -0.215 18824 530 1 . 1 1 101 101 LYS N N 101 120.369 120.369 119.348 1.021 18824 531 1 . 1 1 101 101 LYS HA H 101 3.934 3.934 4.122 -0.188 18824 532 1 . 1 1 101 101 LYS CA C 101 58.742 58.742 58.261 0.481 18824 533 1 . 1 1 101 101 LYS CB C 101 31.861 31.861 32.030 -0.169 18824 534 1 . 1 1 101 101 LYS H H 101 7.783 7.783 7.610 0.173 18824 535 1 . 1 1 102 102 LEU N N 102 117.862 117.862 118.106 -0.244 18824 536 1 . 1 1 102 102 LEU HA H 102 4.157 4.157 4.233 -0.076 18824 537 1 . 1 1 102 102 LEU C C 102 177.526 177.526 177.598 -0.072 18824 538 1 . 1 1 102 102 LEU CA C 102 55.174 55.174 55.345 -0.171 18824 539 1 . 1 1 102 102 LEU CB C 102 42.966 42.966 42.341 0.625 18824 540 1 . 1 1 102 102 LEU H H 102 7.512 7.512 7.455 0.057 18824 541 1 . 1 1 103 103 GLY N N 103 108.863 108.863 106.485 2.378 18824 542 1 . 1 1 103 103 GLY C C 103 174.353 174.353 173.846 0.507 18824 543 1 . 1 1 103 103 GLY CA C 103 45.565 45.565 44.959 0.607 18824 544 1 . 1 1 103 103 GLY H H 103 7.851 7.851 7.791 0.060 18824 545 1 . 1 1 104 104 VAL N N 104 120.506 120.506 120.084 0.422 18824 546 1 . 1 1 104 104 VAL HA H 104 3.852 3.852 4.209 -0.357 18824 547 1 . 1 1 104 104 VAL CA C 104 61.751 61.751 61.566 0.185 18824 548 1 . 1 1 104 104 VAL CB C 104 32.824 32.824 32.438 0.386 18824 549 1 . 1 1 104 104 VAL H H 104 7.726 7.726 7.906 -0.180 18824 550 1 . 1 1 105 105 GLN N N 105 124.776 124.776 125.692 -0.916 18824 551 1 . 1 1 105 105 GLN HA H 105 4.107 4.107 4.517 -0.410 18824 552 1 . 1 1 105 105 GLN CA C 105 55.170 55.170 55.199 -0.029 18824 553 1 . 1 1 105 105 GLN CB C 105 28.783 28.783 27.953 0.830 18824 554 1 . 1 1 105 105 GLN H H 105 8.245 8.245 8.675 -0.430 18824 555 1 . 1 1 106 106 VAL HA H 106 3.461 3.461 3.737 -0.276 18824 556 1 . 1 1 106 106 VAL C C 106 179.182 179.182 176.644 2.538 18824 557 1 . 1 1 106 106 VAL CA C 106 64.553 64.553 64.831 -0.278 18824 558 1 . 1 1 106 106 VAL CB C 106 30.309 30.309 31.786 -1.477 18824 559 1 . 1 1 106 106 VAL H H 106 8.504 8.504 8.133 0.371 18824 560 1 . 1 1 107 107 ARG HA H 107 4.240 4.240 4.048 0.192 18824 561 1 . 1 1 108 108 GLU HA H 108 3.619 3.619 4.310 -0.691 18824 562 1 . 1 1 108 108 GLU CA C 108 59.746 59.746 57.080 2.666 18824 563 1 . 1 1 108 108 GLU CB C 108 29.234 29.234 30.899 -1.665 18824 564 1 . 1 1 108 108 GLU H H 108 8.690 8.690 7.690 1.000 18824 565 1 . 1 1 110 110 LEU HA H 110 4.042 4.042 4.102 -0.060 18824 566 1 . 1 1 110 110 LEU CA C 110 56.360 56.360 57.051 -0.691 18824 567 1 . 1 1 110 110 LEU CB C 110 42.120 42.120 41.669 0.451 18824 568 1 . 1 1 111 111 LEU N N 111 116.974 116.974 116.838 0.136 18824 569 1 . 1 1 111 111 LEU HA H 111 4.083 4.083 4.131 -0.048 18824 570 1 . 1 1 111 111 LEU C C 111 177.598 177.598 178.637 -1.039 18824 571 1 . 1 1 111 111 LEU CA C 111 55.628 55.628 56.905 -1.277 18824 572 1 . 1 1 111 111 LEU CB C 111 40.977 40.977 41.485 -0.508 18824 573 1 . 1 1 111 111 LEU H H 111 7.791 7.791 7.567 0.224 18824 574 1 . 1 1 112 112 ARG N N 112 119.231 119.231 118.719 0.512 18824 575 1 . 1 1 112 112 ARG HA H 112 4.152 4.152 4.151 0.001 18824 576 1 . 1 1 112 112 ARG C C 112 176.246 176.246 177.187 -0.941 18824 577 1 . 1 1 112 112 ARG CA C 112 56.180 56.180 57.888 -1.708 18824 578 1 . 1 1 112 112 ARG CB C 112 30.340 30.340 30.596 -0.256 18824 579 1 . 1 1 112 112 ARG H H 112 7.528 7.528 7.830 -0.302 18824 580 1 . 1 1 113 113 ALA N N 113 123.896 123.896 121.303 2.593 18824 581 1 . 1 1 113 113 ALA HA H 113 4.139 4.139 4.327 -0.189 18824 582 1 . 1 1 113 113 ALA C C 113 177.783 177.783 177.011 0.773 18824 583 1 . 1 1 113 113 ALA CA C 113 52.649 52.649 52.628 0.021 18824 584 1 . 1 1 113 113 ALA CB C 113 18.618 18.618 19.162 -0.544 18824 585 1 . 1 1 113 113 ALA H H 113 7.954 7.954 7.721 0.233 18824 586 1 . 1 1 114 114 GLN N N 114 118.555 118.555 119.181 -0.626 18824 587 1 . 1 1 114 114 GLN HA H 114 4.159 4.159 4.283 -0.124 18824 588 1 . 1 1 114 114 GLN C C 114 175.815 175.815 175.318 0.497 18824 589 1 . 1 1 114 114 GLN CA C 114 55.551 55.551 55.378 0.173 18824 590 1 . 1 1 114 114 GLN CB C 114 29.023 29.023 28.323 0.700 18824 591 1 . 1 1 114 114 GLN H H 114 8.121 8.121 8.153 -0.032 18824 592 1 . 1 1 115 115 GLU N N 115 121.589 121.589 121.320 0.269 18824 593 1 . 1 1 115 115 GLU HA H 115 4.130 4.130 4.399 -0.269 18824 594 1 . 1 1 115 115 GLU C C 115 175.637 175.637 175.635 0.002 18824 595 1 . 1 1 115 115 GLU CA C 115 55.779 55.779 55.981 -0.202 18824 596 1 . 1 1 115 115 GLU CB C 115 30.038 30.038 29.996 0.042 18824 597 1 . 1 1 115 115 GLU H H 115 8.164 8.164 8.086 0.078 18824 598 1 . 1 1 116 116 ALA N N 116 126.435 126.435 125.947 0.488 18824 599 1 . 1 1 116 116 ALA HA H 116 4.459 4.459 4.484 -0.025 18824 600 1 . 1 1 116 116 ALA CA C 116 50.094 50.094 50.673 -0.579 18824 601 1 . 1 1 116 116 ALA CB C 116 17.622 17.622 18.850 -1.228 18824 602 1 . 1 1 116 116 ALA H H 116 8.266 8.266 8.218 0.048 18824 603 1 . 1 1 117 117 PRO HA H 117 4.304 4.304 4.464 -0.160 18824 604 1 . 1 1 117 117 PRO C C 117 177.580 177.580 176.931 0.649 18824 605 1 . 1 1 117 117 PRO CA C 117 62.789 62.789 63.041 -0.252 18824 606 1 . 1 1 117 117 PRO CB C 117 31.812 31.812 31.504 0.308 18824 607 1 . 1 1 118 118 GLY N N 118 109.304 109.304 111.187 -1.883 18824 608 1 . 1 1 118 118 GLY C C 118 173.872 173.872 174.279 -0.407 18824 609 1 . 1 1 118 118 GLY CA C 118 45.014 45.014 45.182 -0.168 18824 610 1 . 1 1 118 118 GLY H H 118 8.425 8.425 8.372 0.053 18824 611 1 . 1 1 119 119 GLN N N 119 120.070 120.070 119.609 0.461 18824 612 1 . 1 1 119 119 GLN HA H 119 4.214 4.214 4.386 -0.172 18824 613 1 . 1 1 119 119 GLN C C 119 174.692 174.692 175.280 -0.588 18824 614 1 . 1 1 119 119 GLN CA C 119 55.442 55.442 56.334 -0.892 18824 615 1 . 1 1 119 119 GLN CB C 119 29.308 29.308 28.838 0.470 18824 616 1 . 1 1 119 119 GLN H H 119 8.081 8.081 8.429 -0.348 18824 stop_ save_