data_26066 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 26066 _Entry.PDB_ID 2NDN 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 26066 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ILE N N 2 121.057 121.057 122.710 -1.653 26066 2 1 1 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.340 -0.209 26066 3 1 1 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.364 0.473 26066 4 1 1 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.582 -2.048 26066 5 1 1 . 1 1 2 2 ILE H H 2 7.413 7.413 7.777 -0.364 26066 6 1 1 . 1 1 3 3 CYS N N 3 126.411 126.411 124.521 1.890 26066 7 1 1 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.744 0.904 26066 8 1 1 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.464 -2.840 26066 9 1 1 . 1 1 3 3 CYS CB C 3 47.273 47.273 29.269 18.004 26066 10 1 1 . 1 1 3 3 CYS H H 3 8.642 8.642 8.709 -0.067 26066 11 1 1 . 1 1 4 4 PHE N N 4 121.069 121.069 123.775 -2.706 26066 12 1 1 . 1 1 4 4 PHE HA H 4 4.857 4.857 5.007 -0.150 26066 13 1 1 . 1 1 4 4 PHE CA C 4 55.968 55.968 55.968 0.000 26066 14 1 1 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.205 0.003 26066 15 1 1 . 1 1 4 4 PHE H H 4 8.979 8.979 8.359 0.620 26066 16 1 1 . 1 1 5 5 LYS N N 5 119.330 119.330 125.046 -5.716 26066 17 1 1 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.392 0.505 26066 18 1 1 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.194 -0.619 26066 19 1 1 . 1 1 5 5 LYS CB C 5 33.685 33.685 34.152 -0.467 26066 20 1 1 . 1 1 5 5 LYS H H 5 8.420 8.420 8.549 -0.129 26066 21 1 1 . 1 1 6 6 ASP N N 6 127.302 127.302 126.202 1.100 26066 22 1 1 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.089 -0.331 26066 23 1 1 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.434 -0.025 26066 24 1 1 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.771 -1.186 26066 25 1 1 . 1 1 6 6 ASP H H 6 8.765 8.765 8.190 0.575 26066 26 1 1 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.396 -0.180 26066 27 1 1 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.618 0.064 26066 28 1 1 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.780 -0.284 26066 29 1 1 . 1 1 8 8 PHE N N 8 115.531 115.531 116.285 -0.754 26066 30 1 1 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.542 0.081 26066 31 1 1 . 1 1 8 8 PHE CA C 8 56.595 56.595 59.088 -2.493 26066 32 1 1 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.047 -0.552 26066 33 1 1 . 1 1 8 8 PHE H H 8 7.905 7.905 8.488 -0.583 26066 34 1 1 . 1 1 9 9 GLY N N 9 108.059 108.059 106.491 1.568 26066 35 1 1 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.712 0.520 26066 36 1 1 . 1 1 9 9 GLY H H 9 8.126 8.126 7.592 0.534 26066 37 1 1 . 1 1 10 10 SER HA H 10 4.581 4.581 4.578 0.003 26066 38 1 1 . 1 1 10 10 SER CA C 10 58.095 58.095 58.090 0.005 26066 39 1 1 . 1 1 10 10 SER H H 10 8.422 8.422 7.984 0.438 26066 40 1 1 . 1 1 11 11 THR N N 11 119.831 119.831 121.894 -2.063 26066 41 1 1 . 1 1 11 11 THR HA H 11 4.590 4.590 4.351 0.239 26066 42 1 1 . 1 1 11 11 THR CA C 11 62.893 62.893 62.283 0.610 26066 43 1 1 . 1 1 11 11 THR CB C 11 69.249 69.249 68.831 0.418 26066 44 1 1 . 1 1 11 11 THR H H 11 8.620 8.620 8.464 0.156 26066 45 1 1 . 1 1 12 12 LEU N N 12 130.204 130.204 128.821 1.383 26066 46 1 1 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.552 -0.021 26066 47 1 1 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.675 0.085 26066 48 1 1 . 1 1 12 12 LEU CB C 12 43.804 43.804 45.713 -1.909 26066 49 1 1 . 1 1 12 12 LEU H H 12 8.771 8.771 7.750 1.021 26066 50 1 1 . 1 1 13 13 CYS N N 13 120.436 120.436 119.415 1.021 26066 51 1 1 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.668 0.510 26066 52 1 1 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.941 -2.645 26066 53 1 1 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.487 16.438 26066 54 1 1 . 1 1 13 13 CYS H H 13 8.621 8.621 8.407 0.214 26066 55 1 1 . 1 1 14 14 ALA N N 14 121.212 121.212 125.855 -4.643 26066 56 1 1 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.989 -0.220 26066 57 1 1 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.903 0.626 26066 58 1 1 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.915 -0.130 26066 59 1 1 . 1 1 14 14 ALA H H 14 8.455 8.455 8.850 -0.395 26066 60 1 1 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.366 -0.045 26066 61 1 1 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.781 1.141 26066 62 1 1 . 1 1 15 15 PRO CB C 15 31.631 31.631 32.134 -0.503 26066 63 1 2 . 1 1 2 2 ILE N N 2 121.057 121.057 122.593 -1.536 26066 64 1 2 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.440 -0.309 26066 65 1 2 . 1 1 2 2 ILE CA C 2 60.837 60.837 59.472 1.365 26066 66 1 2 . 1 1 2 2 ILE CB C 2 36.534 36.534 37.673 -1.139 26066 67 1 2 . 1 1 2 2 ILE H H 2 7.413 7.413 7.786 -0.373 26066 68 1 2 . 1 1 3 3 CYS N N 3 126.411 126.411 127.451 -1.040 26066 69 1 2 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.567 1.081 26066 70 1 2 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.234 -2.610 26066 71 1 2 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.037 19.236 26066 72 1 2 . 1 1 3 3 CYS H H 3 8.642 8.642 8.976 -0.334 26066 73 1 2 . 1 1 4 4 PHE N N 4 121.069 121.069 124.182 -3.113 26066 74 1 2 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.953 -0.096 26066 75 1 2 . 1 1 4 4 PHE CA C 4 55.968 55.968 55.794 0.174 26066 76 1 2 . 1 1 4 4 PHE CB C 4 41.208 41.208 40.855 0.353 26066 77 1 2 . 1 1 4 4 PHE H H 4 8.979 8.979 8.060 0.919 26066 78 1 2 . 1 1 5 5 LYS N N 5 119.330 119.330 123.875 -4.545 26066 79 1 2 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.464 0.433 26066 80 1 2 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.660 -1.085 26066 81 1 2 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.108 0.577 26066 82 1 2 . 1 1 5 5 LYS H H 5 8.420 8.420 8.466 -0.046 26066 83 1 2 . 1 1 6 6 ASP N N 6 127.302 127.302 126.167 1.135 26066 84 1 2 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.824 -0.066 26066 85 1 2 . 1 1 6 6 ASP CA C 6 52.408 52.408 53.773 -1.365 26066 86 1 2 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.691 -1.106 26066 87 1 2 . 1 1 6 6 ASP H H 6 8.765 8.765 8.058 0.707 26066 88 1 2 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.325 -0.109 26066 89 1 2 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.654 0.028 26066 90 1 2 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.537 -0.041 26066 91 1 2 . 1 1 8 8 PHE N N 8 115.531 115.531 117.566 -2.035 26066 92 1 2 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.541 0.082 26066 93 1 2 . 1 1 8 8 PHE CA C 8 56.595 56.595 57.995 -1.400 26066 94 1 2 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.749 -0.254 26066 95 1 2 . 1 1 8 8 PHE H H 8 7.905 7.905 7.831 0.074 26066 96 1 2 . 1 1 9 9 GLY N N 9 108.059 108.059 106.893 1.166 26066 97 1 2 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.822 0.411 26066 98 1 2 . 1 1 9 9 GLY H H 9 8.126 8.126 7.740 0.386 26066 99 1 2 . 1 1 10 10 SER HA H 10 4.581 4.581 4.618 -0.037 26066 100 1 2 . 1 1 10 10 SER CA C 10 58.095 58.095 58.767 -0.672 26066 101 1 2 . 1 1 10 10 SER H H 10 8.422 8.422 7.970 0.452 26066 102 1 2 . 1 1 11 11 THR N N 11 119.831 119.831 117.966 1.865 26066 103 1 2 . 1 1 11 11 THR HA H 11 4.590 4.590 4.465 0.125 26066 104 1 2 . 1 1 11 11 THR CA C 11 62.893 62.893 62.275 0.618 26066 105 1 2 . 1 1 11 11 THR CB C 11 69.249 69.249 69.327 -0.078 26066 106 1 2 . 1 1 11 11 THR H H 11 8.620 8.620 8.287 0.333 26066 107 1 2 . 1 1 12 12 LEU N N 12 130.204 130.204 128.347 1.857 26066 108 1 2 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.660 -0.129 26066 109 1 2 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.407 -0.647 26066 110 1 2 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.080 -2.276 26066 111 1 2 . 1 1 12 12 LEU H H 12 8.771 8.771 8.043 0.728 26066 112 1 2 . 1 1 13 13 CYS N N 13 120.436 120.436 120.795 -0.359 26066 113 1 2 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.900 0.278 26066 114 1 2 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.491 -2.195 26066 115 1 2 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.123 15.802 26066 116 1 2 . 1 1 13 13 CYS H H 13 8.621 8.621 8.283 0.338 26066 117 1 2 . 1 1 14 14 ALA N N 14 121.212 121.212 124.562 -3.350 26066 118 1 2 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.934 -0.165 26066 119 1 2 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.607 0.922 26066 120 1 2 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.181 -0.397 26066 121 1 2 . 1 1 14 14 ALA H H 14 8.455 8.455 8.604 -0.149 26066 122 1 2 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.376 -0.055 26066 123 1 2 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.642 1.280 26066 124 1 2 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.866 -0.235 26066 125 1 3 . 1 1 2 2 ILE N N 2 121.057 121.057 122.216 -1.159 26066 126 1 3 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.027 0.104 26066 127 1 3 . 1 1 2 2 ILE CA C 2 60.837 60.837 61.534 -0.697 26066 128 1 3 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.624 -2.090 26066 129 1 3 . 1 1 2 2 ILE H H 2 7.413 7.413 7.631 -0.218 26066 130 1 3 . 1 1 3 3 CYS N N 3 126.411 126.411 123.109 3.302 26066 131 1 3 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.832 0.816 26066 132 1 3 . 1 1 3 3 CYS CA C 3 55.624 55.624 57.339 -1.715 26066 133 1 3 . 1 1 3 3 CYS CB C 3 47.273 47.273 31.262 16.011 26066 134 1 3 . 1 1 3 3 CYS H H 3 8.642 8.642 8.122 0.520 26066 135 1 3 . 1 1 4 4 PHE N N 4 121.069 121.069 120.052 1.017 26066 136 1 3 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.914 -0.057 26066 137 1 3 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.301 -0.333 26066 138 1 3 . 1 1 4 4 PHE CB C 4 41.208 41.208 42.598 -1.390 26066 139 1 3 . 1 1 4 4 PHE H H 4 8.979 8.979 9.049 -0.070 26066 140 1 3 . 1 1 5 5 LYS N N 5 119.330 119.330 120.777 -1.447 26066 141 1 3 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.601 0.296 26066 142 1 3 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.600 -1.025 26066 143 1 3 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.563 0.122 26066 144 1 3 . 1 1 5 5 LYS H H 5 8.420 8.420 8.480 -0.060 26066 145 1 3 . 1 1 6 6 ASP N N 6 127.302 127.302 126.208 1.094 26066 146 1 3 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.021 -0.263 26066 147 1 3 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.048 0.360 26066 148 1 3 . 1 1 6 6 ASP CB C 6 40.585 40.585 42.122 -1.537 26066 149 1 3 . 1 1 6 6 ASP H H 6 8.765 8.765 8.357 0.408 26066 150 1 3 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.377 -0.161 26066 151 1 3 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.653 0.029 26066 152 1 3 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.702 -0.206 26066 153 1 3 . 1 1 8 8 PHE N N 8 115.531 115.531 117.597 -2.066 26066 154 1 3 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.497 0.126 26066 155 1 3 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.441 -1.846 26066 156 1 3 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.015 -0.520 26066 157 1 3 . 1 1 8 8 PHE H H 8 7.905 7.905 8.251 -0.346 26066 158 1 3 . 1 1 9 9 GLY N N 9 108.059 108.059 107.660 0.399 26066 159 1 3 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.851 0.382 26066 160 1 3 . 1 1 9 9 GLY H H 9 8.126 8.126 7.670 0.456 26066 161 1 3 . 1 1 10 10 SER HA H 10 4.581 4.581 4.492 0.089 26066 162 1 3 . 1 1 10 10 SER CA C 10 58.095 58.095 59.095 -1.000 26066 163 1 3 . 1 1 10 10 SER H H 10 8.422 8.422 8.223 0.199 26066 164 1 3 . 1 1 11 11 THR N N 11 119.831 119.831 122.053 -2.222 26066 165 1 3 . 1 1 11 11 THR HA H 11 4.590 4.590 4.327 0.263 26066 166 1 3 . 1 1 11 11 THR CA C 11 62.893 62.893 62.377 0.517 26066 167 1 3 . 1 1 11 11 THR CB C 11 69.249 69.249 69.230 0.019 26066 168 1 3 . 1 1 11 11 THR H H 11 8.620 8.620 8.275 0.345 26066 169 1 3 . 1 1 12 12 LEU N N 12 130.204 130.204 130.690 -0.486 26066 170 1 3 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.609 -0.078 26066 171 1 3 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.338 -0.578 26066 172 1 3 . 1 1 12 12 LEU CB C 12 43.804 43.804 43.407 0.397 26066 173 1 3 . 1 1 12 12 LEU H H 12 8.771 8.771 8.364 0.407 26066 174 1 3 . 1 1 13 13 CYS N N 13 120.436 120.436 124.746 -4.310 26066 175 1 3 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.926 0.252 26066 176 1 3 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.649 -2.353 26066 177 1 3 . 1 1 13 13 CYS CB C 13 46.925 46.925 29.888 17.037 26066 178 1 3 . 1 1 13 13 CYS H H 13 8.621 8.621 8.723 -0.102 26066 179 1 3 . 1 1 14 14 ALA N N 14 121.212 121.212 127.243 -6.031 26066 180 1 3 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.921 -0.152 26066 181 1 3 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.516 1.013 26066 182 1 3 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.015 -0.231 26066 183 1 3 . 1 1 14 14 ALA H H 14 8.455 8.455 8.777 -0.322 26066 184 1 3 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.388 -0.067 26066 185 1 3 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.614 1.308 26066 186 1 3 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.878 -0.247 26066 187 1 4 . 1 1 2 2 ILE N N 2 121.057 121.057 122.136 -1.079 26066 188 1 4 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.143 -0.012 26066 189 1 4 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.406 0.431 26066 190 1 4 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.394 -1.860 26066 191 1 4 . 1 1 2 2 ILE H H 2 7.413 7.413 7.686 -0.273 26066 192 1 4 . 1 1 3 3 CYS N N 3 126.411 126.411 126.097 0.314 26066 193 1 4 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.595 1.053 26066 194 1 4 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.394 -2.769 26066 195 1 4 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.108 19.165 26066 196 1 4 . 1 1 3 3 CYS H H 3 8.642 8.642 8.669 -0.027 26066 197 1 4 . 1 1 4 4 PHE N N 4 121.069 121.069 124.105 -3.036 26066 198 1 4 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.847 0.010 26066 199 1 4 . 1 1 4 4 PHE CA C 4 55.968 55.968 55.911 0.057 26066 200 1 4 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.681 -0.472 26066 201 1 4 . 1 1 4 4 PHE H H 4 8.979 8.979 8.935 0.044 26066 202 1 4 . 1 1 5 5 LYS N N 5 119.330 119.330 121.347 -2.017 26066 203 1 4 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.593 0.304 26066 204 1 4 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.757 -1.182 26066 205 1 4 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.357 0.328 26066 206 1 4 . 1 1 5 5 LYS H H 5 8.420 8.420 8.520 -0.100 26066 207 1 4 . 1 1 6 6 ASP N N 6 127.302 127.302 126.182 1.120 26066 208 1 4 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.834 -0.076 26066 209 1 4 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.507 -0.098 26066 210 1 4 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.813 -1.228 26066 211 1 4 . 1 1 6 6 ASP H H 6 8.765 8.765 8.009 0.756 26066 212 1 4 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.219 -0.003 26066 213 1 4 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.471 0.211 26066 214 1 4 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.624 -0.128 26066 215 1 4 . 1 1 8 8 PHE N N 8 115.531 115.531 117.721 -2.190 26066 216 1 4 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.517 0.106 26066 217 1 4 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.371 -1.776 26066 218 1 4 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.772 -0.277 26066 219 1 4 . 1 1 8 8 PHE H H 8 7.905 7.905 7.883 0.022 26066 220 1 4 . 1 1 9 9 GLY N N 9 108.059 108.059 105.965 2.094 26066 221 1 4 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.743 0.490 26066 222 1 4 . 1 1 9 9 GLY H H 9 8.126 8.126 7.531 0.595 26066 223 1 4 . 1 1 10 10 SER HA H 10 4.581 4.581 4.489 0.092 26066 224 1 4 . 1 1 10 10 SER CA C 10 58.095 58.095 59.529 -1.434 26066 225 1 4 . 1 1 10 10 SER H H 10 8.422 8.422 8.191 0.231 26066 226 1 4 . 1 1 11 11 THR N N 11 119.831 119.831 122.130 -2.299 26066 227 1 4 . 1 1 11 11 THR HA H 11 4.590 4.590 4.532 0.058 26066 228 1 4 . 1 1 11 11 THR CA C 11 62.893 62.893 62.357 0.536 26066 229 1 4 . 1 1 11 11 THR CB C 11 69.249 69.249 69.554 -0.305 26066 230 1 4 . 1 1 11 11 THR H H 11 8.620 8.620 8.349 0.271 26066 231 1 4 . 1 1 12 12 LEU N N 12 130.204 130.204 130.381 -0.177 26066 232 1 4 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.842 -0.311 26066 233 1 4 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.971 -0.211 26066 234 1 4 . 1 1 12 12 LEU CB C 12 43.804 43.804 44.561 -0.757 26066 235 1 4 . 1 1 12 12 LEU H H 12 8.771 8.771 8.380 0.391 26066 236 1 4 . 1 1 13 13 CYS N N 13 120.436 120.436 124.045 -3.609 26066 237 1 4 . 1 1 13 13 CYS HA H 13 5.178 5.178 5.108 0.070 26066 238 1 4 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.868 -2.572 26066 239 1 4 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.259 16.666 26066 240 1 4 . 1 1 13 13 CYS H H 13 8.621 8.621 8.789 -0.168 26066 241 1 4 . 1 1 14 14 ALA N N 14 121.212 121.212 125.920 -4.708 26066 242 1 4 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.964 -0.195 26066 243 1 4 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.625 0.904 26066 244 1 4 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.174 -0.390 26066 245 1 4 . 1 1 14 14 ALA H H 14 8.455 8.455 8.507 -0.052 26066 246 1 4 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.401 -0.080 26066 247 1 4 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.699 1.223 26066 248 1 4 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.904 -0.273 26066 249 1 5 . 1 1 2 2 ILE N N 2 121.057 121.057 122.209 -1.152 26066 250 1 5 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.318 -0.187 26066 251 1 5 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.699 0.138 26066 252 1 5 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.985 -2.451 26066 253 1 5 . 1 1 2 2 ILE H H 2 7.413 7.413 8.278 -0.865 26066 254 1 5 . 1 1 3 3 CYS N N 3 126.411 126.411 127.647 -1.236 26066 255 1 5 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.622 1.026 26066 256 1 5 . 1 1 3 3 CYS CA C 3 55.624 55.624 59.002 -3.378 26066 257 1 5 . 1 1 3 3 CYS CB C 3 47.273 47.273 26.380 20.893 26066 258 1 5 . 1 1 3 3 CYS H H 3 8.642 8.642 8.946 -0.304 26066 259 1 5 . 1 1 4 4 PHE N N 4 121.069 121.069 124.666 -3.597 26066 260 1 5 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.977 -0.120 26066 261 1 5 . 1 1 4 4 PHE CA C 4 55.968 55.968 55.910 0.058 26066 262 1 5 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.464 -0.256 26066 263 1 5 . 1 1 4 4 PHE H H 4 8.979 8.979 7.848 1.131 26066 264 1 5 . 1 1 5 5 LYS N N 5 119.330 119.330 122.493 -3.163 26066 265 1 5 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.512 0.385 26066 266 1 5 . 1 1 5 5 LYS CA C 5 54.575 54.575 54.853 -0.278 26066 267 1 5 . 1 1 5 5 LYS CB C 5 33.685 33.685 32.452 1.233 26066 268 1 5 . 1 1 5 5 LYS H H 5 8.420 8.420 8.401 0.019 26066 269 1 5 . 1 1 6 6 ASP N N 6 127.302 127.302 124.492 2.810 26066 270 1 5 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.732 0.026 26066 271 1 5 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.546 -0.138 26066 272 1 5 . 1 1 6 6 ASP CB C 6 40.585 40.585 40.628 -0.043 26066 273 1 5 . 1 1 6 6 ASP H H 6 8.765 8.765 8.470 0.295 26066 274 1 5 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.338 -0.122 26066 275 1 5 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.254 0.428 26066 276 1 5 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.612 -0.116 26066 277 1 5 . 1 1 8 8 PHE N N 8 115.531 115.531 116.593 -1.062 26066 278 1 5 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.540 0.083 26066 279 1 5 . 1 1 8 8 PHE CA C 8 56.595 56.595 59.105 -2.510 26066 280 1 5 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.026 -0.531 26066 281 1 5 . 1 1 8 8 PHE H H 8 7.905 7.905 8.207 -0.302 26066 282 1 5 . 1 1 9 9 GLY N N 9 108.059 108.059 107.314 0.745 26066 283 1 5 . 1 1 9 9 GLY CA C 9 45.233 45.233 45.034 0.199 26066 284 1 5 . 1 1 9 9 GLY H H 9 8.126 8.126 7.842 0.284 26066 285 1 5 . 1 1 10 10 SER HA H 10 4.581 4.581 4.640 -0.059 26066 286 1 5 . 1 1 10 10 SER CA C 10 58.095 58.095 57.393 0.702 26066 287 1 5 . 1 1 10 10 SER H H 10 8.422 8.422 8.412 0.010 26066 288 1 5 . 1 1 11 11 THR N N 11 119.831 119.831 118.437 1.394 26066 289 1 5 . 1 1 11 11 THR HA H 11 4.590 4.590 4.295 0.295 26066 290 1 5 . 1 1 11 11 THR CA C 11 62.893 62.893 62.484 0.409 26066 291 1 5 . 1 1 11 11 THR CB C 11 69.249 69.249 68.951 0.298 26066 292 1 5 . 1 1 11 11 THR H H 11 8.620 8.620 8.291 0.329 26066 293 1 5 . 1 1 12 12 LEU N N 12 130.204 130.204 128.234 1.970 26066 294 1 5 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.557 -0.026 26066 295 1 5 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.775 -0.015 26066 296 1 5 . 1 1 12 12 LEU CB C 12 43.804 43.804 45.995 -2.191 26066 297 1 5 . 1 1 12 12 LEU H H 12 8.771 8.771 8.184 0.587 26066 298 1 5 . 1 1 13 13 CYS N N 13 120.436 120.436 118.634 1.802 26066 299 1 5 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.670 0.508 26066 300 1 5 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.921 -2.625 26066 301 1 5 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.073 15.852 26066 302 1 5 . 1 1 13 13 CYS H H 13 8.621 8.621 8.357 0.264 26066 303 1 5 . 1 1 14 14 ALA N N 14 121.212 121.212 124.612 -3.400 26066 304 1 5 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.990 -0.221 26066 305 1 5 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.759 0.770 26066 306 1 5 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.073 -0.289 26066 307 1 5 . 1 1 14 14 ALA H H 14 8.455 8.455 8.422 0.033 26066 308 1 5 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.344 -0.023 26066 309 1 5 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.808 1.114 26066 310 1 5 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.827 -0.196 26066 311 1 6 . 1 1 2 2 ILE N N 2 121.057 121.057 122.164 -1.107 26066 312 1 6 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.411 -0.280 26066 313 1 6 . 1 1 2 2 ILE CA C 2 60.837 60.837 59.409 1.428 26066 314 1 6 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.204 -1.670 26066 315 1 6 . 1 1 2 2 ILE H H 2 7.413 7.413 7.720 -0.307 26066 316 1 6 . 1 1 3 3 CYS N N 3 126.411 126.411 127.030 -0.619 26066 317 1 6 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.624 1.024 26066 318 1 6 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.353 -2.729 26066 319 1 6 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.740 18.533 26066 320 1 6 . 1 1 3 3 CYS H H 3 8.642 8.642 8.953 -0.310 26066 321 1 6 . 1 1 4 4 PHE N N 4 121.069 121.069 123.297 -2.228 26066 322 1 6 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.936 -0.079 26066 323 1 6 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.100 -0.132 26066 324 1 6 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.156 0.052 26066 325 1 6 . 1 1 4 4 PHE H H 4 8.979 8.979 7.651 1.328 26066 326 1 6 . 1 1 5 5 LYS N N 5 119.330 119.330 124.072 -4.742 26066 327 1 6 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.370 0.527 26066 328 1 6 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.796 -1.221 26066 329 1 6 . 1 1 5 5 LYS CB C 5 33.685 33.685 32.489 1.196 26066 330 1 6 . 1 1 5 5 LYS H H 5 8.420 8.420 8.513 -0.093 26066 331 1 6 . 1 1 6 6 ASP N N 6 127.302 127.302 125.973 1.329 26066 332 1 6 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.680 0.078 26066 333 1 6 . 1 1 6 6 ASP CA C 6 52.408 52.408 53.901 -1.493 26066 334 1 6 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.569 -0.984 26066 335 1 6 . 1 1 6 6 ASP H H 6 8.765 8.765 8.379 0.386 26066 336 1 6 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.314 -0.098 26066 337 1 6 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.588 0.094 26066 338 1 6 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.541 -0.045 26066 339 1 6 . 1 1 8 8 PHE N N 8 115.531 115.531 117.573 -2.042 26066 340 1 6 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.532 0.091 26066 341 1 6 . 1 1 8 8 PHE CA C 8 56.595 56.595 57.780 -1.185 26066 342 1 6 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.550 -0.055 26066 343 1 6 . 1 1 8 8 PHE H H 8 7.905 7.905 7.608 0.297 26066 344 1 6 . 1 1 9 9 GLY N N 9 108.059 108.059 107.036 1.023 26066 345 1 6 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.887 0.346 26066 346 1 6 . 1 1 9 9 GLY H H 9 8.126 8.126 7.625 0.501 26066 347 1 6 . 1 1 10 10 SER HA H 10 4.581 4.581 4.574 0.007 26066 348 1 6 . 1 1 10 10 SER CA C 10 58.095 58.095 58.036 0.059 26066 349 1 6 . 1 1 10 10 SER H H 10 8.422 8.422 8.060 0.362 26066 350 1 6 . 1 1 11 11 THR N N 11 119.831 119.831 118.679 1.152 26066 351 1 6 . 1 1 11 11 THR HA H 11 4.590 4.590 4.458 0.132 26066 352 1 6 . 1 1 11 11 THR CA C 11 62.893 62.893 62.334 0.559 26066 353 1 6 . 1 1 11 11 THR CB C 11 69.249 69.249 69.041 0.208 26066 354 1 6 . 1 1 11 11 THR H H 11 8.620 8.620 8.226 0.394 26066 355 1 6 . 1 1 12 12 LEU N N 12 130.204 130.204 128.989 1.215 26066 356 1 6 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.631 -0.100 26066 357 1 6 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.536 0.224 26066 358 1 6 . 1 1 12 12 LEU CB C 12 43.804 43.804 44.858 -1.054 26066 359 1 6 . 1 1 12 12 LEU H H 12 8.771 8.771 8.376 0.395 26066 360 1 6 . 1 1 13 13 CYS N N 13 120.436 120.436 119.814 0.622 26066 361 1 6 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.816 0.362 26066 362 1 6 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.708 -2.412 26066 363 1 6 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.669 15.256 26066 364 1 6 . 1 1 13 13 CYS H H 13 8.621 8.621 8.407 0.214 26066 365 1 6 . 1 1 14 14 ALA N N 14 121.212 121.212 124.461 -3.249 26066 366 1 6 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.941 -0.172 26066 367 1 6 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.556 0.973 26066 368 1 6 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.263 -0.479 26066 369 1 6 . 1 1 14 14 ALA H H 14 8.455 8.455 8.768 -0.313 26066 370 1 6 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.373 -0.052 26066 371 1 6 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.797 1.125 26066 372 1 6 . 1 1 15 15 PRO CB C 15 31.631 31.631 32.047 -0.416 26066 373 1 7 . 1 1 2 2 ILE N N 2 121.057 121.057 123.422 -2.365 26066 374 1 7 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.143 -0.012 26066 375 1 7 . 1 1 2 2 ILE CA C 2 60.837 60.837 61.692 -0.855 26066 376 1 7 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.030 -1.496 26066 377 1 7 . 1 1 2 2 ILE H H 2 7.413 7.413 7.891 -0.478 26066 378 1 7 . 1 1 3 3 CYS N N 3 126.411 126.411 126.847 -0.436 26066 379 1 7 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.478 1.170 26066 380 1 7 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.721 -3.097 26066 381 1 7 . 1 1 3 3 CYS CB C 3 47.273 47.273 27.685 19.588 26066 382 1 7 . 1 1 3 3 CYS H H 3 8.642 8.642 8.897 -0.255 26066 383 1 7 . 1 1 4 4 PHE N N 4 121.069 121.069 124.217 -3.148 26066 384 1 7 . 1 1 4 4 PHE HA H 4 4.857 4.857 5.057 -0.200 26066 385 1 7 . 1 1 4 4 PHE CA C 4 55.968 55.968 55.686 0.282 26066 386 1 7 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.145 0.063 26066 387 1 7 . 1 1 4 4 PHE H H 4 8.979 8.979 8.076 0.902 26066 388 1 7 . 1 1 5 5 LYS N N 5 119.330 119.330 121.892 -2.562 26066 389 1 7 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.464 0.433 26066 390 1 7 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.478 -0.903 26066 391 1 7 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.631 0.054 26066 392 1 7 . 1 1 5 5 LYS H H 5 8.420 8.420 8.495 -0.075 26066 393 1 7 . 1 1 6 6 ASP N N 6 127.302 127.302 124.875 2.427 26066 394 1 7 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.136 -0.378 26066 395 1 7 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.039 0.369 26066 396 1 7 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.511 -0.926 26066 397 1 7 . 1 1 6 6 ASP H H 6 8.765 8.765 8.539 0.226 26066 398 1 7 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.389 -0.173 26066 399 1 7 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.761 -0.079 26066 400 1 7 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.769 -0.273 26066 401 1 7 . 1 1 8 8 PHE N N 8 115.531 115.531 117.450 -1.919 26066 402 1 7 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.525 0.098 26066 403 1 7 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.444 -1.849 26066 404 1 7 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.984 -0.489 26066 405 1 7 . 1 1 8 8 PHE H H 8 7.905 7.905 8.475 -0.569 26066 406 1 7 . 1 1 9 9 GLY N N 9 108.059 108.059 107.499 0.560 26066 407 1 7 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.828 0.406 26066 408 1 7 . 1 1 9 9 GLY H H 9 8.126 8.126 7.782 0.344 26066 409 1 7 . 1 1 10 10 SER HA H 10 4.581 4.581 4.465 0.116 26066 410 1 7 . 1 1 10 10 SER CA C 10 58.095 58.095 58.563 -0.468 26066 411 1 7 . 1 1 10 10 SER H H 10 8.422 8.422 7.959 0.463 26066 412 1 7 . 1 1 11 11 THR N N 11 119.831 119.831 118.563 1.268 26066 413 1 7 . 1 1 11 11 THR HA H 11 4.590 4.590 4.367 0.223 26066 414 1 7 . 1 1 11 11 THR CA C 11 62.893 62.893 62.312 0.581 26066 415 1 7 . 1 1 11 11 THR CB C 11 69.249 69.249 69.264 -0.015 26066 416 1 7 . 1 1 11 11 THR H H 11 8.620 8.620 8.308 0.312 26066 417 1 7 . 1 1 12 12 LEU N N 12 130.204 130.204 128.755 1.449 26066 418 1 7 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.593 -0.062 26066 419 1 7 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.491 0.269 26066 420 1 7 . 1 1 12 12 LEU CB C 12 43.804 43.804 44.806 -1.002 26066 421 1 7 . 1 1 12 12 LEU H H 12 8.771 8.771 8.388 0.383 26066 422 1 7 . 1 1 13 13 CYS N N 13 120.436 120.436 123.171 -2.735 26066 423 1 7 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.291 0.887 26066 424 1 7 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.335 -2.039 26066 425 1 7 . 1 1 13 13 CYS CB C 13 46.925 46.925 29.819 17.106 26066 426 1 7 . 1 1 13 13 CYS H H 13 8.621 8.621 8.453 0.168 26066 427 1 7 . 1 1 14 14 ALA N N 14 121.212 121.212 126.244 -5.032 26066 428 1 7 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.853 -0.084 26066 429 1 7 . 1 1 14 14 ALA CA C 14 50.529 50.529 50.470 0.059 26066 430 1 7 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.021 -0.237 26066 431 1 7 . 1 1 14 14 ALA H H 14 8.455 8.455 8.739 -0.284 26066 432 1 7 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.339 -0.018 26066 433 1 7 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.384 1.538 26066 434 1 7 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.804 -0.173 26066 435 1 8 . 1 1 2 2 ILE N N 2 121.057 121.057 118.126 2.931 26066 436 1 8 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.374 -0.243 26066 437 1 8 . 1 1 2 2 ILE CA C 2 60.837 60.837 61.458 -0.621 26066 438 1 8 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.737 -2.204 26066 439 1 8 . 1 1 2 2 ILE H H 2 7.413 7.413 7.541 -0.128 26066 440 1 8 . 1 1 3 3 CYS N N 3 126.411 126.411 123.943 2.468 26066 441 1 8 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.787 0.861 26066 442 1 8 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.529 -2.905 26066 443 1 8 . 1 1 3 3 CYS CB C 3 47.273 47.273 29.148 18.125 26066 444 1 8 . 1 1 3 3 CYS H H 3 8.642 8.642 8.412 0.230 26066 445 1 8 . 1 1 4 4 PHE N N 4 121.069 121.069 122.487 -1.418 26066 446 1 8 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.928 -0.071 26066 447 1 8 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.588 -0.620 26066 448 1 8 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.842 -0.634 26066 449 1 8 . 1 1 4 4 PHE H H 4 8.979 8.979 8.395 0.584 26066 450 1 8 . 1 1 5 5 LYS N N 5 119.330 119.330 123.982 -4.652 26066 451 1 8 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.280 0.617 26066 452 1 8 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.563 -0.988 26066 453 1 8 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.154 0.531 26066 454 1 8 . 1 1 5 5 LYS H H 5 8.420 8.420 8.383 0.037 26066 455 1 8 . 1 1 6 6 ASP N N 6 127.302 127.302 125.697 1.605 26066 456 1 8 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.878 -0.120 26066 457 1 8 . 1 1 6 6 ASP CA C 6 52.408 52.408 53.696 -1.288 26066 458 1 8 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.685 -1.100 26066 459 1 8 . 1 1 6 6 ASP H H 6 8.765 8.765 8.085 0.680 26066 460 1 8 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.335 -0.119 26066 461 1 8 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.597 0.085 26066 462 1 8 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.509 -0.013 26066 463 1 8 . 1 1 8 8 PHE N N 8 115.531 115.531 117.440 -1.909 26066 464 1 8 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.515 0.108 26066 465 1 8 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.310 -1.715 26066 466 1 8 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.805 -0.310 26066 467 1 8 . 1 1 8 8 PHE H H 8 7.905 7.905 8.032 -0.127 26066 468 1 8 . 1 1 9 9 GLY N N 9 108.059 108.059 106.716 1.343 26066 469 1 8 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.841 0.392 26066 470 1 8 . 1 1 9 9 GLY H H 9 8.126 8.126 7.719 0.407 26066 471 1 8 . 1 1 10 10 SER HA H 10 4.581 4.581 4.542 0.039 26066 472 1 8 . 1 1 10 10 SER CA C 10 58.095 58.095 57.944 0.151 26066 473 1 8 . 1 1 10 10 SER H H 10 8.422 8.422 7.935 0.487 26066 474 1 8 . 1 1 11 11 THR N N 11 119.831 119.831 116.956 2.875 26066 475 1 8 . 1 1 11 11 THR HA H 11 4.590 4.590 4.611 -0.021 26066 476 1 8 . 1 1 11 11 THR CA C 11 62.893 62.893 61.799 1.094 26066 477 1 8 . 1 1 11 11 THR CB C 11 69.249 69.249 69.407 -0.158 26066 478 1 8 . 1 1 11 11 THR H H 11 8.620 8.620 8.284 0.336 26066 479 1 8 . 1 1 12 12 LEU N N 12 130.204 130.204 129.582 0.622 26066 480 1 8 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.603 -0.072 26066 481 1 8 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.073 -0.313 26066 482 1 8 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.050 -2.246 26066 483 1 8 . 1 1 12 12 LEU H H 12 8.771 8.771 7.824 0.947 26066 484 1 8 . 1 1 13 13 CYS N N 13 120.436 120.436 120.253 0.183 26066 485 1 8 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.650 0.528 26066 486 1 8 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.732 -2.436 26066 487 1 8 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.854 16.071 26066 488 1 8 . 1 1 13 13 CYS H H 13 8.621 8.621 8.285 0.336 26066 489 1 8 . 1 1 14 14 ALA N N 14 121.212 121.212 126.066 -4.854 26066 490 1 8 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.957 -0.188 26066 491 1 8 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.852 0.677 26066 492 1 8 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.907 -0.123 26066 493 1 8 . 1 1 14 14 ALA H H 14 8.455 8.455 8.714 -0.259 26066 494 1 8 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.417 -0.096 26066 495 1 8 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.757 1.165 26066 496 1 8 . 1 1 15 15 PRO CB C 15 31.631 31.631 32.020 -0.389 26066 497 1 9 . 1 1 2 2 ILE N N 2 121.057 121.057 122.507 -1.450 26066 498 1 9 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.048 0.083 26066 499 1 9 . 1 1 2 2 ILE CA C 2 60.837 60.837 61.344 -0.507 26066 500 1 9 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.675 -2.141 26066 501 1 9 . 1 1 2 2 ILE H H 2 7.413 7.413 7.616 -0.203 26066 502 1 9 . 1 1 3 3 CYS N N 3 126.411 126.411 124.161 2.250 26066 503 1 9 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.292 1.356 26066 504 1 9 . 1 1 3 3 CYS CA C 3 55.624 55.624 57.877 -2.253 26066 505 1 9 . 1 1 3 3 CYS CB C 3 47.273 47.273 30.680 16.593 26066 506 1 9 . 1 1 3 3 CYS H H 3 8.642 8.642 8.258 0.384 26066 507 1 9 . 1 1 4 4 PHE N N 4 121.069 121.069 121.138 -0.069 26066 508 1 9 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.815 0.042 26066 509 1 9 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.812 -0.844 26066 510 1 9 . 1 1 4 4 PHE CB C 4 41.208 41.208 42.420 -1.212 26066 511 1 9 . 1 1 4 4 PHE H H 4 8.979 8.979 9.156 -0.177 26066 512 1 9 . 1 1 5 5 LYS N N 5 119.330 119.330 122.612 -3.282 26066 513 1 9 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.640 0.257 26066 514 1 9 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.321 -0.746 26066 515 1 9 . 1 1 5 5 LYS CB C 5 33.685 33.685 34.166 -0.481 26066 516 1 9 . 1 1 5 5 LYS H H 5 8.420 8.420 8.622 -0.202 26066 517 1 9 . 1 1 6 6 ASP N N 6 127.302 127.302 125.993 1.309 26066 518 1 9 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.069 -0.311 26066 519 1 9 . 1 1 6 6 ASP CA C 6 52.408 52.408 51.423 0.985 26066 520 1 9 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.358 -0.773 26066 521 1 9 . 1 1 6 6 ASP H H 6 8.765 8.765 8.309 0.456 26066 522 1 9 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.379 -0.163 26066 523 1 9 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.780 -0.098 26066 524 1 9 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.793 -0.297 26066 525 1 9 . 1 1 8 8 PHE N N 8 115.531 115.531 117.713 -2.182 26066 526 1 9 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.479 0.144 26066 527 1 9 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.626 -2.031 26066 528 1 9 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.089 -0.594 26066 529 1 9 . 1 1 8 8 PHE H H 8 7.905 7.905 8.555 -0.650 26066 530 1 9 . 1 1 9 9 GLY N N 9 108.059 108.059 107.305 0.754 26066 531 1 9 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.738 0.495 26066 532 1 9 . 1 1 9 9 GLY H H 9 8.126 8.126 7.690 0.436 26066 533 1 9 . 1 1 10 10 SER HA H 10 4.581 4.581 4.431 0.150 26066 534 1 9 . 1 1 10 10 SER CA C 10 58.095 58.095 58.900 -0.805 26066 535 1 9 . 1 1 10 10 SER H H 10 8.422 8.422 7.975 0.447 26066 536 1 9 . 1 1 11 11 THR N N 11 119.831 119.831 120.494 -0.663 26066 537 1 9 . 1 1 11 11 THR HA H 11 4.590 4.590 4.543 0.047 26066 538 1 9 . 1 1 11 11 THR CA C 11 62.893 62.893 62.533 0.360 26066 539 1 9 . 1 1 11 11 THR CB C 11 69.249 69.249 69.394 -0.145 26066 540 1 9 . 1 1 11 11 THR H H 11 8.620 8.620 8.439 0.181 26066 541 1 9 . 1 1 12 12 LEU N N 12 130.204 130.204 129.670 0.534 26066 542 1 9 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.800 -0.269 26066 543 1 9 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.065 -0.305 26066 544 1 9 . 1 1 12 12 LEU CB C 12 43.804 43.804 44.929 -1.125 26066 545 1 9 . 1 1 12 12 LEU H H 12 8.771 8.771 8.337 0.434 26066 546 1 9 . 1 1 13 13 CYS N N 13 120.436 120.436 120.911 -0.475 26066 547 1 9 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.690 0.488 26066 548 1 9 . 1 1 13 13 CYS CA C 13 55.296 55.296 58.452 -3.155 26066 549 1 9 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.649 15.276 26066 550 1 9 . 1 1 13 13 CYS H H 13 8.621 8.621 8.707 -0.086 26066 551 1 9 . 1 1 14 14 ALA N N 14 121.212 121.212 126.363 -5.151 26066 552 1 9 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.966 -0.198 26066 553 1 9 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.486 1.044 26066 554 1 9 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.178 -0.394 26066 555 1 9 . 1 1 14 14 ALA H H 14 8.455 8.455 8.688 -0.233 26066 556 1 9 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.359 -0.038 26066 557 1 9 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.528 1.394 26066 558 1 9 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.890 -0.259 26066 559 1 10 . 1 1 2 2 ILE N N 2 121.057 121.057 121.766 -0.709 26066 560 1 10 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.474 -0.343 26066 561 1 10 . 1 1 2 2 ILE CA C 2 60.837 60.837 59.796 1.041 26066 562 1 10 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.371 -1.837 26066 563 1 10 . 1 1 2 2 ILE H H 2 7.413 7.413 7.661 -0.248 26066 564 1 10 . 1 1 3 3 CYS N N 3 126.411 126.411 126.591 -0.180 26066 565 1 10 . 1 1 3 3 CYS HA H 3 5.648 5.648 5.101 0.547 26066 566 1 10 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.439 -2.815 26066 567 1 10 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.990 18.283 26066 568 1 10 . 1 1 3 3 CYS H H 3 8.642 8.642 8.946 -0.304 26066 569 1 10 . 1 1 4 4 PHE N N 4 121.069 121.069 123.201 -2.132 26066 570 1 10 . 1 1 4 4 PHE HA H 4 4.857 4.857 5.032 -0.175 26066 571 1 10 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.009 -0.041 26066 572 1 10 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.511 -0.304 26066 573 1 10 . 1 1 4 4 PHE H H 4 8.979 8.979 8.177 0.802 26066 574 1 10 . 1 1 5 5 LYS N N 5 119.330 119.330 122.872 -3.542 26066 575 1 10 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.429 0.468 26066 576 1 10 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.404 -0.829 26066 577 1 10 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.003 0.682 26066 578 1 10 . 1 1 5 5 LYS H H 5 8.420 8.420 8.481 -0.061 26066 579 1 10 . 1 1 6 6 ASP N N 6 127.302 127.302 126.578 0.724 26066 580 1 10 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.700 0.058 26066 581 1 10 . 1 1 6 6 ASP CA C 6 52.408 52.408 54.090 -1.682 26066 582 1 10 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.407 -0.822 26066 583 1 10 . 1 1 6 6 ASP H H 6 8.765 8.765 7.970 0.795 26066 584 1 10 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.292 -0.076 26066 585 1 10 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.624 0.059 26066 586 1 10 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.559 -0.063 26066 587 1 10 . 1 1 8 8 PHE N N 8 115.531 115.531 117.466 -1.935 26066 588 1 10 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.534 0.089 26066 589 1 10 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.277 -1.682 26066 590 1 10 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.895 -0.400 26066 591 1 10 . 1 1 8 8 PHE H H 8 7.905 7.905 7.904 0.001 26066 592 1 10 . 1 1 9 9 GLY N N 9 108.059 108.059 106.864 1.195 26066 593 1 10 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.737 0.496 26066 594 1 10 . 1 1 9 9 GLY H H 9 8.126 8.126 7.639 0.487 26066 595 1 10 . 1 1 10 10 SER HA H 10 4.581 4.581 4.537 0.044 26066 596 1 10 . 1 1 10 10 SER CA C 10 58.095 58.095 58.447 -0.352 26066 597 1 10 . 1 1 10 10 SER H H 10 8.422 8.422 8.124 0.298 26066 598 1 10 . 1 1 11 11 THR N N 11 119.831 119.831 117.314 2.517 26066 599 1 10 . 1 1 11 11 THR HA H 11 4.590 4.590 4.405 0.185 26066 600 1 10 . 1 1 11 11 THR CA C 11 62.893 62.893 61.251 1.642 26066 601 1 10 . 1 1 11 11 THR CB C 11 69.249 69.249 69.701 -0.452 26066 602 1 10 . 1 1 11 11 THR H H 11 8.620 8.620 8.221 0.399 26066 603 1 10 . 1 1 12 12 LEU N N 12 130.204 130.204 128.791 1.413 26066 604 1 10 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.613 -0.082 26066 605 1 10 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.951 -0.191 26066 606 1 10 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.189 -2.385 26066 607 1 10 . 1 1 12 12 LEU H H 12 8.771 8.771 7.863 0.908 26066 608 1 10 . 1 1 13 13 CYS N N 13 120.436 120.436 120.202 0.234 26066 609 1 10 . 1 1 13 13 CYS HA H 13 5.178 5.178 5.239 -0.061 26066 610 1 10 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.759 -2.463 26066 611 1 10 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.962 15.963 26066 612 1 10 . 1 1 13 13 CYS H H 13 8.621 8.621 8.410 0.211 26066 613 1 10 . 1 1 14 14 ALA N N 14 121.212 121.212 126.182 -4.970 26066 614 1 10 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.980 -0.211 26066 615 1 10 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.834 0.695 26066 616 1 10 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.902 -0.118 26066 617 1 10 . 1 1 14 14 ALA H H 14 8.455 8.455 8.986 -0.531 26066 618 1 10 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.409 -0.088 26066 619 1 10 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.883 1.039 26066 620 1 10 . 1 1 15 15 PRO CB C 15 31.631 31.631 32.048 -0.417 26066 621 1 11 . 1 1 2 2 ILE N N 2 121.057 121.057 123.560 -2.503 26066 622 1 11 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.055 0.076 26066 623 1 11 . 1 1 2 2 ILE CA C 2 60.837 60.837 62.340 -1.503 26066 624 1 11 . 1 1 2 2 ILE CB C 2 36.534 36.534 37.733 -1.198 26066 625 1 11 . 1 1 2 2 ILE H H 2 7.413 7.413 7.893 -0.480 26066 626 1 11 . 1 1 3 3 CYS N N 3 126.411 126.411 126.421 -0.010 26066 627 1 11 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.813 0.835 26066 628 1 11 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.365 -2.741 26066 629 1 11 . 1 1 3 3 CYS CB C 3 47.273 47.273 29.589 17.684 26066 630 1 11 . 1 1 3 3 CYS H H 3 8.642 8.642 8.772 -0.130 26066 631 1 11 . 1 1 4 4 PHE N N 4 121.069 121.069 123.264 -2.195 26066 632 1 11 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.895 -0.038 26066 633 1 11 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.722 -0.755 26066 634 1 11 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.335 -0.127 26066 635 1 11 . 1 1 4 4 PHE H H 4 8.979 8.979 8.019 0.960 26066 636 1 11 . 1 1 5 5 LYS N N 5 119.330 119.330 124.927 -5.597 26066 637 1 11 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.313 0.584 26066 638 1 11 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.968 -1.393 26066 639 1 11 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.194 0.491 26066 640 1 11 . 1 1 5 5 LYS H H 5 8.420 8.420 8.489 -0.069 26066 641 1 11 . 1 1 6 6 ASP N N 6 127.302 127.302 127.241 0.061 26066 642 1 11 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.010 -0.252 26066 643 1 11 . 1 1 6 6 ASP CA C 6 52.408 52.408 51.347 1.061 26066 644 1 11 . 1 1 6 6 ASP CB C 6 40.585 40.585 40.513 0.072 26066 645 1 11 . 1 1 6 6 ASP H H 6 8.765 8.765 8.430 0.335 26066 646 1 11 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.258 -0.042 26066 647 1 11 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.779 -0.097 26066 648 1 11 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.439 0.057 26066 649 1 11 . 1 1 8 8 PHE N N 8 115.531 115.531 118.112 -2.581 26066 650 1 11 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.501 0.122 26066 651 1 11 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.507 -1.912 26066 652 1 11 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.835 -0.340 26066 653 1 11 . 1 1 8 8 PHE H H 8 7.905 7.905 7.622 0.283 26066 654 1 11 . 1 1 9 9 GLY N N 9 108.059 108.059 106.824 1.235 26066 655 1 11 . 1 1 9 9 GLY CA C 9 45.233 45.233 45.083 0.150 26066 656 1 11 . 1 1 9 9 GLY H H 9 8.126 8.126 7.955 0.171 26066 657 1 11 . 1 1 10 10 SER HA H 10 4.581 4.581 4.449 0.132 26066 658 1 11 . 1 1 10 10 SER CA C 10 58.095 58.095 59.233 -1.138 26066 659 1 11 . 1 1 10 10 SER H H 10 8.422 8.422 8.033 0.389 26066 660 1 11 . 1 1 11 11 THR N N 11 119.831 119.831 118.254 1.577 26066 661 1 11 . 1 1 11 11 THR HA H 11 4.590 4.590 4.406 0.184 26066 662 1 11 . 1 1 11 11 THR CA C 11 62.893 62.893 62.392 0.501 26066 663 1 11 . 1 1 11 11 THR CB C 11 69.249 69.249 69.005 0.244 26066 664 1 11 . 1 1 11 11 THR H H 11 8.620 8.620 8.274 0.346 26066 665 1 11 . 1 1 12 12 LEU N N 12 130.204 130.204 128.677 1.527 26066 666 1 11 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.638 -0.107 26066 667 1 11 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.291 -0.531 26066 668 1 11 . 1 1 12 12 LEU CB C 12 43.804 43.804 44.572 -0.768 26066 669 1 11 . 1 1 12 12 LEU H H 12 8.771 8.771 8.322 0.449 26066 670 1 11 . 1 1 13 13 CYS N N 13 120.436 120.436 121.793 -1.357 26066 671 1 11 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.895 0.283 26066 672 1 11 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.840 -2.543 26066 673 1 11 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.242 15.683 26066 674 1 11 . 1 1 13 13 CYS H H 13 8.621 8.621 8.420 0.201 26066 675 1 11 . 1 1 14 14 ALA N N 14 121.212 121.212 125.019 -3.807 26066 676 1 11 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.925 -0.156 26066 677 1 11 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.800 0.729 26066 678 1 11 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.033 -0.249 26066 679 1 11 . 1 1 14 14 ALA H H 14 8.455 8.455 8.753 -0.298 26066 680 1 11 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.378 -0.057 26066 681 1 11 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.717 1.205 26066 682 1 11 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.932 -0.301 26066 683 1 12 . 1 1 2 2 ILE N N 2 121.057 121.057 121.927 -0.870 26066 684 1 12 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.226 -0.095 26066 685 1 12 . 1 1 2 2 ILE CA C 2 60.837 60.837 59.216 1.621 26066 686 1 12 . 1 1 2 2 ILE CB C 2 36.534 36.534 36.713 -0.179 26066 687 1 12 . 1 1 2 2 ILE H H 2 7.413 7.413 7.438 -0.025 26066 688 1 12 . 1 1 3 3 CYS N N 3 126.411 126.411 126.694 -0.283 26066 689 1 12 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.374 1.274 26066 690 1 12 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.528 -2.904 26066 691 1 12 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.889 18.384 26066 692 1 12 . 1 1 3 3 CYS H H 3 8.642 8.642 8.668 -0.026 26066 693 1 12 . 1 1 4 4 PHE N N 4 121.069 121.069 124.073 -3.004 26066 694 1 12 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.746 0.111 26066 695 1 12 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.740 -0.772 26066 696 1 12 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.096 0.112 26066 697 1 12 . 1 1 4 4 PHE H H 4 8.979 8.979 8.338 0.641 26066 698 1 12 . 1 1 5 5 LYS N N 5 119.330 119.330 125.324 -5.994 26066 699 1 12 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.558 0.339 26066 700 1 12 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.401 -0.826 26066 701 1 12 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.000 0.685 26066 702 1 12 . 1 1 5 5 LYS H H 5 8.420 8.420 8.565 -0.145 26066 703 1 12 . 1 1 6 6 ASP N N 6 127.302 127.302 126.388 0.914 26066 704 1 12 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.975 -0.217 26066 705 1 12 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.165 0.243 26066 706 1 12 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.730 -1.145 26066 707 1 12 . 1 1 6 6 ASP H H 6 8.765 8.765 8.509 0.256 26066 708 1 12 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.374 -0.158 26066 709 1 12 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.603 0.079 26066 710 1 12 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.723 -0.227 26066 711 1 12 . 1 1 8 8 PHE N N 8 115.531 115.531 117.924 -2.393 26066 712 1 12 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.511 0.112 26066 713 1 12 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.346 -1.751 26066 714 1 12 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.993 -0.498 26066 715 1 12 . 1 1 8 8 PHE H H 8 7.905 7.905 8.331 -0.426 26066 716 1 12 . 1 1 9 9 GLY N N 9 108.059 108.059 108.043 0.016 26066 717 1 12 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.897 0.336 26066 718 1 12 . 1 1 9 9 GLY H H 9 8.126 8.126 7.710 0.416 26066 719 1 12 . 1 1 10 10 SER HA H 10 4.581 4.581 4.611 -0.030 26066 720 1 12 . 1 1 10 10 SER CA C 10 58.095 58.095 58.291 -0.196 26066 721 1 12 . 1 1 10 10 SER H H 10 8.422 8.422 8.066 0.356 26066 722 1 12 . 1 1 11 11 THR N N 11 119.831 119.831 118.440 1.391 26066 723 1 12 . 1 1 11 11 THR HA H 11 4.590 4.590 4.530 0.060 26066 724 1 12 . 1 1 11 11 THR CA C 11 62.893 62.893 62.219 0.674 26066 725 1 12 . 1 1 11 11 THR CB C 11 69.249 69.249 69.048 0.201 26066 726 1 12 . 1 1 11 11 THR H H 11 8.620 8.620 8.357 0.263 26066 727 1 12 . 1 1 12 12 LEU N N 12 130.204 130.204 129.129 1.075 26066 728 1 12 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.762 -0.231 26066 729 1 12 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.527 -0.767 26066 730 1 12 . 1 1 12 12 LEU CB C 12 43.804 43.804 45.242 -1.438 26066 731 1 12 . 1 1 12 12 LEU H H 12 8.771 8.771 8.592 0.179 26066 732 1 12 . 1 1 13 13 CYS N N 13 120.436 120.436 121.065 -0.629 26066 733 1 12 . 1 1 13 13 CYS HA H 13 5.178 5.178 5.011 0.167 26066 734 1 12 . 1 1 13 13 CYS CA C 13 55.296 55.296 58.329 -3.033 26066 735 1 12 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.483 15.442 26066 736 1 12 . 1 1 13 13 CYS H H 13 8.621 8.621 8.650 -0.029 26066 737 1 12 . 1 1 14 14 ALA N N 14 121.212 121.212 125.749 -4.537 26066 738 1 12 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.970 -0.201 26066 739 1 12 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.778 0.751 26066 740 1 12 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.922 -0.138 26066 741 1 12 . 1 1 14 14 ALA H H 14 8.455 8.455 8.497 -0.042 26066 742 1 12 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.410 -0.089 26066 743 1 12 . 1 1 15 15 PRO CA C 15 64.922 64.922 64.027 0.895 26066 744 1 12 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.878 -0.247 26066 745 1 13 . 1 1 2 2 ILE N N 2 121.057 121.057 122.147 -1.090 26066 746 1 13 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.175 -0.044 26066 747 1 13 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.486 0.351 26066 748 1 13 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.921 -2.387 26066 749 1 13 . 1 1 2 2 ILE H H 2 7.413 7.413 7.664 -0.251 26066 750 1 13 . 1 1 3 3 CYS N N 3 126.411 126.411 125.109 1.302 26066 751 1 13 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.539 1.109 26066 752 1 13 . 1 1 3 3 CYS CA C 3 55.624 55.624 57.630 -2.006 26066 753 1 13 . 1 1 3 3 CYS CB C 3 47.273 47.273 29.933 17.340 26066 754 1 13 . 1 1 3 3 CYS H H 3 8.642 8.642 8.469 0.173 26066 755 1 13 . 1 1 4 4 PHE N N 4 121.069 121.069 120.140 0.929 26066 756 1 13 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.932 -0.075 26066 757 1 13 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.179 -0.211 26066 758 1 13 . 1 1 4 4 PHE CB C 4 41.208 41.208 42.394 -1.185 26066 759 1 13 . 1 1 4 4 PHE H H 4 8.979 8.979 9.117 -0.138 26066 760 1 13 . 1 1 5 5 LYS N N 5 119.330 119.330 121.383 -2.053 26066 761 1 13 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.598 0.299 26066 762 1 13 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.528 -0.953 26066 763 1 13 . 1 1 5 5 LYS CB C 5 33.685 33.685 34.430 -0.745 26066 764 1 13 . 1 1 5 5 LYS H H 5 8.420 8.420 8.587 -0.167 26066 765 1 13 . 1 1 6 6 ASP N N 6 127.302 127.302 126.200 1.102 26066 766 1 13 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.075 -0.317 26066 767 1 13 . 1 1 6 6 ASP CA C 6 52.408 52.408 51.545 0.863 26066 768 1 13 . 1 1 6 6 ASP CB C 6 40.585 40.585 40.616 -0.031 26066 769 1 13 . 1 1 6 6 ASP H H 6 8.765 8.765 8.263 0.502 26066 770 1 13 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.288 -0.072 26066 771 1 13 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.603 0.079 26066 772 1 13 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.460 0.036 26066 773 1 13 . 1 1 8 8 PHE N N 8 115.531 115.531 117.466 -1.935 26066 774 1 13 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.502 0.121 26066 775 1 13 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.301 -1.706 26066 776 1 13 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.849 -0.354 26066 777 1 13 . 1 1 8 8 PHE H H 8 7.905 7.905 7.914 -0.009 26066 778 1 13 . 1 1 9 9 GLY N N 9 108.059 108.059 106.900 1.159 26066 779 1 13 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.866 0.367 26066 780 1 13 . 1 1 9 9 GLY H H 9 8.126 8.126 7.651 0.475 26066 781 1 13 . 1 1 10 10 SER HA H 10 4.581 4.581 4.565 0.016 26066 782 1 13 . 1 1 10 10 SER CA C 10 58.095 58.095 58.590 -0.494 26066 783 1 13 . 1 1 10 10 SER H H 10 8.422 8.422 7.998 0.423 26066 784 1 13 . 1 1 11 11 THR N N 11 119.831 119.831 118.216 1.615 26066 785 1 13 . 1 1 11 11 THR HA H 11 4.590 4.590 4.563 0.027 26066 786 1 13 . 1 1 11 11 THR CA C 11 62.893 62.893 61.788 1.105 26066 787 1 13 . 1 1 11 11 THR CB C 11 69.249 69.249 69.737 -0.488 26066 788 1 13 . 1 1 11 11 THR H H 11 8.620 8.620 8.228 0.392 26066 789 1 13 . 1 1 12 12 LEU N N 12 130.204 130.204 129.689 0.515 26066 790 1 13 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.784 -0.253 26066 791 1 13 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.134 -0.374 26066 792 1 13 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.085 -2.281 26066 793 1 13 . 1 1 12 12 LEU H H 12 8.771 8.771 8.259 0.512 26066 794 1 13 . 1 1 13 13 CYS N N 13 120.436 120.436 121.673 -1.237 26066 795 1 13 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.937 0.241 26066 796 1 13 . 1 1 13 13 CYS CA C 13 55.296 55.296 58.064 -2.768 26066 797 1 13 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.716 16.209 26066 798 1 13 . 1 1 13 13 CYS H H 13 8.621 8.621 8.546 0.075 26066 799 1 13 . 1 1 14 14 ALA N N 14 121.212 121.212 126.561 -5.349 26066 800 1 13 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.991 -0.222 26066 801 1 13 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.524 1.005 26066 802 1 13 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.176 -0.392 26066 803 1 13 . 1 1 14 14 ALA H H 14 8.455 8.455 8.649 -0.194 26066 804 1 13 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.374 -0.053 26066 805 1 13 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.525 1.397 26066 806 1 13 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.830 -0.199 26066 807 1 14 . 1 1 2 2 ILE N N 2 121.057 121.057 123.104 -2.047 26066 808 1 14 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.100 0.031 26066 809 1 14 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.640 0.197 26066 810 1 14 . 1 1 2 2 ILE CB C 2 36.534 36.534 37.580 -1.046 26066 811 1 14 . 1 1 2 2 ILE H H 2 7.413 7.413 7.701 -0.288 26066 812 1 14 . 1 1 3 3 CYS N N 3 126.411 126.411 124.774 1.637 26066 813 1 14 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.276 1.372 26066 814 1 14 . 1 1 3 3 CYS CA C 3 55.624 55.624 57.966 -2.342 26066 815 1 14 . 1 1 3 3 CYS CB C 3 47.273 47.273 30.801 16.472 26066 816 1 14 . 1 1 3 3 CYS H H 3 8.642 8.642 8.347 0.295 26066 817 1 14 . 1 1 4 4 PHE N N 4 121.069 121.069 121.924 -0.855 26066 818 1 14 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.798 0.059 26066 819 1 14 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.460 -0.492 26066 820 1 14 . 1 1 4 4 PHE CB C 4 41.208 41.208 42.278 -1.070 26066 821 1 14 . 1 1 4 4 PHE H H 4 8.979 8.979 9.032 -0.053 26066 822 1 14 . 1 1 5 5 LYS N N 5 119.330 119.330 121.335 -2.005 26066 823 1 14 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.560 0.337 26066 824 1 14 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.499 -0.924 26066 825 1 14 . 1 1 5 5 LYS CB C 5 33.685 33.685 32.595 1.090 26066 826 1 14 . 1 1 5 5 LYS H H 5 8.420 8.420 8.621 -0.201 26066 827 1 14 . 1 1 6 6 ASP N N 6 127.302 127.302 126.377 0.925 26066 828 1 14 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.873 -0.115 26066 829 1 14 . 1 1 6 6 ASP CA C 6 52.408 52.408 51.405 1.003 26066 830 1 14 . 1 1 6 6 ASP CB C 6 40.585 40.585 42.896 -2.311 26066 831 1 14 . 1 1 6 6 ASP H H 6 8.765 8.765 8.739 0.026 26066 832 1 14 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.354 -0.138 26066 833 1 14 . 1 1 7 7 PRO CA C 7 64.682 64.682 63.916 0.765 26066 834 1 14 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.633 -0.137 26066 835 1 14 . 1 1 8 8 PHE N N 8 115.531 115.531 117.971 -2.440 26066 836 1 14 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.417 0.206 26066 837 1 14 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.386 -1.790 26066 838 1 14 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.348 -0.853 26066 839 1 14 . 1 1 8 8 PHE H H 8 7.905 7.905 8.246 -0.341 26066 840 1 14 . 1 1 9 9 GLY N N 9 108.059 108.059 105.818 2.241 26066 841 1 14 . 1 1 9 9 GLY CA C 9 45.233 45.233 45.204 0.029 26066 842 1 14 . 1 1 9 9 GLY H H 9 8.126 8.126 7.829 0.297 26066 843 1 14 . 1 1 10 10 SER HA H 10 4.581 4.581 4.474 0.107 26066 844 1 14 . 1 1 10 10 SER CA C 10 58.095 58.095 58.583 -0.488 26066 845 1 14 . 1 1 10 10 SER H H 10 8.422 8.422 8.272 0.150 26066 846 1 14 . 1 1 11 11 THR N N 11 119.831 119.831 121.244 -1.413 26066 847 1 14 . 1 1 11 11 THR HA H 11 4.590 4.590 4.448 0.142 26066 848 1 14 . 1 1 11 11 THR CA C 11 62.893 62.893 62.508 0.385 26066 849 1 14 . 1 1 11 11 THR CB C 11 69.249 69.249 69.603 -0.354 26066 850 1 14 . 1 1 11 11 THR H H 11 8.620 8.620 8.362 0.258 26066 851 1 14 . 1 1 12 12 LEU N N 12 130.204 130.204 129.108 1.096 26066 852 1 14 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.827 -0.296 26066 853 1 14 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.046 -0.286 26066 854 1 14 . 1 1 12 12 LEU CB C 12 43.804 43.804 45.385 -1.581 26066 855 1 14 . 1 1 12 12 LEU H H 12 8.771 8.771 8.331 0.440 26066 856 1 14 . 1 1 13 13 CYS N N 13 120.436 120.436 120.118 0.318 26066 857 1 14 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.806 0.372 26066 858 1 14 . 1 1 13 13 CYS CA C 13 55.296 55.296 58.269 -2.973 26066 859 1 14 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.192 15.733 26066 860 1 14 . 1 1 13 13 CYS H H 13 8.621 8.621 8.635 -0.014 26066 861 1 14 . 1 1 14 14 ALA N N 14 121.212 121.212 126.316 -5.104 26066 862 1 14 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.958 -0.189 26066 863 1 14 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.593 0.936 26066 864 1 14 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.002 -0.218 26066 865 1 14 . 1 1 14 14 ALA H H 14 8.455 8.455 8.708 -0.253 26066 866 1 14 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.363 -0.042 26066 867 1 14 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.727 1.196 26066 868 1 14 . 1 1 15 15 PRO CB C 15 31.631 31.631 32.040 -0.409 26066 869 1 15 . 1 1 2 2 ILE N N 2 121.057 121.057 123.552 -2.495 26066 870 1 15 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.113 0.018 26066 871 1 15 . 1 1 2 2 ILE CA C 2 60.837 60.837 61.879 -1.042 26066 872 1 15 . 1 1 2 2 ILE CB C 2 36.534 36.534 37.942 -1.408 26066 873 1 15 . 1 1 2 2 ILE H H 2 7.413 7.413 7.912 -0.499 26066 874 1 15 . 1 1 3 3 CYS N N 3 126.411 126.411 127.221 -0.810 26066 875 1 15 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.646 1.002 26066 876 1 15 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.789 -3.166 26066 877 1 15 . 1 1 3 3 CYS CB C 3 47.273 47.273 27.609 19.664 26066 878 1 15 . 1 1 3 3 CYS H H 3 8.642 8.642 8.917 -0.275 26066 879 1 15 . 1 1 4 4 PHE N N 4 121.069 121.069 125.434 -4.365 26066 880 1 15 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.860 -0.003 26066 881 1 15 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.322 -0.354 26066 882 1 15 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.346 -0.139 26066 883 1 15 . 1 1 4 4 PHE H H 4 8.979 8.979 7.957 1.022 26066 884 1 15 . 1 1 5 5 LYS N N 5 119.330 119.330 124.407 -5.077 26066 885 1 15 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.194 0.703 26066 886 1 15 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.566 -0.991 26066 887 1 15 . 1 1 5 5 LYS CB C 5 33.685 33.685 32.997 0.688 26066 888 1 15 . 1 1 5 5 LYS H H 5 8.420 8.420 8.284 0.136 26066 889 1 15 . 1 1 6 6 ASP N N 6 127.302 127.302 122.670 4.632 26066 890 1 15 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.012 -0.254 26066 891 1 15 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.268 0.140 26066 892 1 15 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.200 -0.615 26066 893 1 15 . 1 1 6 6 ASP H H 6 8.765 8.765 8.049 0.716 26066 894 1 15 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.372 -0.156 26066 895 1 15 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.308 0.374 26066 896 1 15 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.824 -0.328 26066 897 1 15 . 1 1 8 8 PHE N N 8 115.531 115.531 115.830 -0.299 26066 898 1 15 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.651 -0.028 26066 899 1 15 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.880 -2.285 26066 900 1 15 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.332 -0.837 26066 901 1 15 . 1 1 8 8 PHE H H 8 7.905 7.905 8.293 -0.388 26066 902 1 15 . 1 1 9 9 GLY N N 9 108.059 108.059 106.680 1.379 26066 903 1 15 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.741 0.492 26066 904 1 15 . 1 1 9 9 GLY H H 9 8.126 8.126 7.614 0.512 26066 905 1 15 . 1 1 10 10 SER HA H 10 4.581 4.581 4.579 0.002 26066 906 1 15 . 1 1 10 10 SER CA C 10 58.095 58.095 58.480 -0.385 26066 907 1 15 . 1 1 10 10 SER H H 10 8.422 8.422 7.975 0.447 26066 908 1 15 . 1 1 11 11 THR N N 11 119.831 119.831 119.239 0.592 26066 909 1 15 . 1 1 11 11 THR HA H 11 4.590 4.590 4.411 0.179 26066 910 1 15 . 1 1 11 11 THR CA C 11 62.893 62.893 62.344 0.549 26066 911 1 15 . 1 1 11 11 THR CB C 11 69.249 69.249 68.602 0.647 26066 912 1 15 . 1 1 11 11 THR H H 11 8.620 8.620 8.412 0.208 26066 913 1 15 . 1 1 12 12 LEU N N 12 130.204 130.204 128.299 1.905 26066 914 1 15 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.535 -0.004 26066 915 1 15 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.466 -0.706 26066 916 1 15 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.109 -2.305 26066 917 1 15 . 1 1 12 12 LEU H H 12 8.771 8.771 8.259 0.512 26066 918 1 15 . 1 1 13 13 CYS N N 13 120.436 120.436 119.073 1.363 26066 919 1 15 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.607 0.571 26066 920 1 15 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.774 -2.478 26066 921 1 15 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.329 15.596 26066 922 1 15 . 1 1 13 13 CYS H H 13 8.621 8.621 8.323 0.298 26066 923 1 15 . 1 1 14 14 ALA N N 14 121.212 121.212 123.854 -2.642 26066 924 1 15 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.978 -0.209 26066 925 1 15 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.834 0.695 26066 926 1 15 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.250 -0.466 26066 927 1 15 . 1 1 14 14 ALA H H 14 8.455 8.455 8.402 0.053 26066 928 1 15 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.403 -0.082 26066 929 1 15 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.684 1.238 26066 930 1 15 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.904 -0.272 26066 931 1 16 . 1 1 2 2 ILE N N 2 121.057 121.057 123.632 -2.575 26066 932 1 16 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.111 0.020 26066 933 1 16 . 1 1 2 2 ILE CA C 2 60.837 60.837 62.496 -1.659 26066 934 1 16 . 1 1 2 2 ILE CB C 2 36.534 36.534 37.611 -1.077 26066 935 1 16 . 1 1 2 2 ILE H H 2 7.413 7.413 7.918 -0.505 26066 936 1 16 . 1 1 3 3 CYS N N 3 126.411 126.411 126.927 -0.516 26066 937 1 16 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.609 1.039 26066 938 1 16 . 1 1 3 3 CYS CA C 3 55.624 55.624 57.896 -2.272 26066 939 1 16 . 1 1 3 3 CYS CB C 3 47.273 47.273 29.635 17.638 26066 940 1 16 . 1 1 3 3 CYS H H 3 8.642 8.642 8.842 -0.200 26066 941 1 16 . 1 1 4 4 PHE N N 4 121.069 121.069 122.370 -1.301 26066 942 1 16 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.907 -0.050 26066 943 1 16 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.699 -0.731 26066 944 1 16 . 1 1 4 4 PHE CB C 4 41.208 41.208 40.736 0.472 26066 945 1 16 . 1 1 4 4 PHE H H 4 8.979 8.979 8.345 0.634 26066 946 1 16 . 1 1 5 5 LYS N N 5 119.330 119.330 124.089 -4.759 26066 947 1 16 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.484 0.413 26066 948 1 16 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.284 -0.709 26066 949 1 16 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.863 -0.178 26066 950 1 16 . 1 1 5 5 LYS H H 5 8.420 8.420 8.568 -0.148 26066 951 1 16 . 1 1 6 6 ASP N N 6 127.302 127.302 124.976 2.326 26066 952 1 16 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.072 -0.314 26066 953 1 16 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.024 0.384 26066 954 1 16 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.284 -0.699 26066 955 1 16 . 1 1 6 6 ASP H H 6 8.765 8.765 8.239 0.526 26066 956 1 16 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.388 -0.172 26066 957 1 16 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.727 -0.045 26066 958 1 16 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.690 -0.194 26066 959 1 16 . 1 1 8 8 PHE N N 8 115.531 115.531 117.765 -2.234 26066 960 1 16 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.456 0.167 26066 961 1 16 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.719 -2.124 26066 962 1 16 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.262 -0.767 26066 963 1 16 . 1 1 8 8 PHE H H 8 7.905 7.905 8.219 -0.314 26066 964 1 16 . 1 1 9 9 GLY N N 9 108.059 108.059 107.205 0.854 26066 965 1 16 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.855 0.379 26066 966 1 16 . 1 1 9 9 GLY H H 9 8.126 8.126 7.657 0.469 26066 967 1 16 . 1 1 10 10 SER HA H 10 4.581 4.581 4.441 0.140 26066 968 1 16 . 1 1 10 10 SER CA C 10 58.095 58.095 58.688 -0.593 26066 969 1 16 . 1 1 10 10 SER H H 10 8.422 8.422 8.034 0.388 26066 970 1 16 . 1 1 11 11 THR N N 11 119.831 119.831 119.338 0.493 26066 971 1 16 . 1 1 11 11 THR HA H 11 4.590 4.590 4.450 0.140 26066 972 1 16 . 1 1 11 11 THR CA C 11 62.893 62.893 61.780 1.113 26066 973 1 16 . 1 1 11 11 THR CB C 11 69.249 69.249 69.635 -0.386 26066 974 1 16 . 1 1 11 11 THR H H 11 8.620 8.620 8.312 0.308 26066 975 1 16 . 1 1 12 12 LEU N N 12 130.204 130.204 130.294 -0.090 26066 976 1 16 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.543 -0.012 26066 977 1 16 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.263 -0.503 26066 978 1 16 . 1 1 12 12 LEU CB C 12 43.804 43.804 44.659 -0.855 26066 979 1 16 . 1 1 12 12 LEU H H 12 8.771 8.771 7.897 0.874 26066 980 1 16 . 1 1 13 13 CYS N N 13 120.436 120.436 122.187 -1.751 26066 981 1 16 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.612 0.566 26066 982 1 16 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.733 -2.437 26066 983 1 16 . 1 1 13 13 CYS CB C 13 46.925 46.925 29.686 17.239 26066 984 1 16 . 1 1 13 13 CYS H H 13 8.621 8.621 8.570 0.051 26066 985 1 16 . 1 1 14 14 ALA N N 14 121.212 121.212 127.174 -5.962 26066 986 1 16 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.861 -0.092 26066 987 1 16 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.820 0.709 26066 988 1 16 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.838 -0.054 26066 989 1 16 . 1 1 14 14 ALA H H 14 8.455 8.455 8.688 -0.233 26066 990 1 16 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.344 -0.023 26066 991 1 16 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.635 1.287 26066 992 1 16 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.976 -0.345 26066 993 1 17 . 1 1 2 2 ILE N N 2 121.057 121.057 123.083 -2.026 26066 994 1 17 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.221 -0.090 26066 995 1 17 . 1 1 2 2 ILE CA C 2 60.837 60.837 61.478 -0.641 26066 996 1 17 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.630 -2.096 26066 997 1 17 . 1 1 2 2 ILE H H 2 7.413 7.413 7.807 -0.394 26066 998 1 17 . 1 1 3 3 CYS N N 3 126.411 126.411 126.200 0.211 26066 999 1 17 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.614 1.034 26066 1000 1 17 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.534 -2.910 26066 1001 1 17 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.708 18.565 26066 1002 1 17 . 1 1 3 3 CYS H H 3 8.642 8.642 8.811 -0.169 26066 1003 1 17 . 1 1 4 4 PHE N N 4 121.069 121.069 122.671 -1.602 26066 1004 1 17 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.956 -0.099 26066 1005 1 17 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.124 -0.156 26066 1006 1 17 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.462 -0.254 26066 1007 1 17 . 1 1 4 4 PHE H H 4 8.979 8.979 7.928 1.051 26066 1008 1 17 . 1 1 5 5 LYS N N 5 119.330 119.330 123.998 -4.668 26066 1009 1 17 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.366 0.531 26066 1010 1 17 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.660 -1.085 26066 1011 1 17 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.632 0.053 26066 1012 1 17 . 1 1 5 5 LYS H H 5 8.420 8.420 8.515 -0.095 26066 1013 1 17 . 1 1 6 6 ASP N N 6 127.302 127.302 127.518 -0.216 26066 1014 1 17 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.039 -0.281 26066 1015 1 17 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.165 0.243 26066 1016 1 17 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.486 -0.901 26066 1017 1 17 . 1 1 6 6 ASP H H 6 8.765 8.765 8.185 0.580 26066 1018 1 17 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.314 -0.098 26066 1019 1 17 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.733 -0.051 26066 1020 1 17 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.537 -0.041 26066 1021 1 17 . 1 1 8 8 PHE N N 8 115.531 115.531 117.541 -2.010 26066 1022 1 17 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.486 0.137 26066 1023 1 17 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.469 -1.874 26066 1024 1 17 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.016 -0.521 26066 1025 1 17 . 1 1 8 8 PHE H H 8 7.905 7.905 8.093 -0.188 26066 1026 1 17 . 1 1 9 9 GLY N N 9 108.059 108.059 107.071 0.988 26066 1027 1 17 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.876 0.357 26066 1028 1 17 . 1 1 9 9 GLY H H 9 8.126 8.126 7.715 0.411 26066 1029 1 17 . 1 1 10 10 SER HA H 10 4.581 4.581 4.455 0.126 26066 1030 1 17 . 1 1 10 10 SER CA C 10 58.095 58.095 58.827 -0.732 26066 1031 1 17 . 1 1 10 10 SER H H 10 8.422 8.422 7.956 0.466 26066 1032 1 17 . 1 1 11 11 THR N N 11 119.831 119.831 118.784 1.047 26066 1033 1 17 . 1 1 11 11 THR HA H 11 4.590 4.590 4.452 0.138 26066 1034 1 17 . 1 1 11 11 THR CA C 11 62.893 62.893 62.557 0.336 26066 1035 1 17 . 1 1 11 11 THR CB C 11 69.249 69.249 69.314 -0.065 26066 1036 1 17 . 1 1 11 11 THR H H 11 8.620 8.620 8.301 0.319 26066 1037 1 17 . 1 1 12 12 LEU N N 12 130.204 130.204 128.933 1.271 26066 1038 1 17 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.536 -0.005 26066 1039 1 17 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.172 -0.412 26066 1040 1 17 . 1 1 12 12 LEU CB C 12 43.804 43.804 45.496 -1.692 26066 1041 1 17 . 1 1 12 12 LEU H H 12 8.771 8.771 8.103 0.668 26066 1042 1 17 . 1 1 13 13 CYS N N 13 120.436 120.436 119.243 1.193 26066 1043 1 17 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.471 0.707 26066 1044 1 17 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.831 -2.535 26066 1045 1 17 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.266 15.659 26066 1046 1 17 . 1 1 13 13 CYS H H 13 8.621 8.621 8.313 0.308 26066 1047 1 17 . 1 1 14 14 ALA N N 14 121.212 121.212 125.044 -3.832 26066 1048 1 17 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.982 -0.213 26066 1049 1 17 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.625 0.904 26066 1050 1 17 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.234 -0.450 26066 1051 1 17 . 1 1 14 14 ALA H H 14 8.455 8.455 8.387 0.068 26066 1052 1 17 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.397 -0.076 26066 1053 1 17 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.605 1.317 26066 1054 1 17 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.903 -0.272 26066 1055 1 18 . 1 1 2 2 ILE N N 2 121.057 121.057 122.359 -1.302 26066 1056 1 18 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.137 -0.006 26066 1057 1 18 . 1 1 2 2 ILE CA C 2 60.837 60.837 62.212 -1.375 26066 1058 1 18 . 1 1 2 2 ILE CB C 2 36.534 36.534 39.195 -2.661 26066 1059 1 18 . 1 1 2 2 ILE H H 2 7.413 7.413 7.767 -0.354 26066 1060 1 18 . 1 1 3 3 CYS N N 3 126.411 126.411 124.459 1.952 26066 1061 1 18 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.753 0.895 26066 1062 1 18 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.087 -2.463 26066 1063 1 18 . 1 1 3 3 CYS CB C 3 47.273 47.273 27.658 19.615 26066 1064 1 18 . 1 1 3 3 CYS H H 3 8.642 8.642 8.370 0.272 26066 1065 1 18 . 1 1 4 4 PHE N N 4 121.069 121.069 124.328 -3.259 26066 1066 1 18 . 1 1 4 4 PHE HA H 4 4.857 4.857 5.043 -0.186 26066 1067 1 18 . 1 1 4 4 PHE CA C 4 55.968 55.968 55.999 -0.031 26066 1068 1 18 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.482 -0.274 26066 1069 1 18 . 1 1 4 4 PHE H H 4 8.979 8.979 8.446 0.533 26066 1070 1 18 . 1 1 5 5 LYS N N 5 119.330 119.330 120.082 -0.752 26066 1071 1 18 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.638 0.259 26066 1072 1 18 . 1 1 5 5 LYS CA C 5 54.575 54.575 54.921 -0.346 26066 1073 1 18 . 1 1 5 5 LYS CB C 5 33.685 33.685 34.416 -0.731 26066 1074 1 18 . 1 1 5 5 LYS H H 5 8.420 8.420 8.275 0.145 26066 1075 1 18 . 1 1 6 6 ASP N N 6 127.302 127.302 124.476 2.826 26066 1076 1 18 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.979 -0.221 26066 1077 1 18 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.496 -0.088 26066 1078 1 18 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.445 -0.860 26066 1079 1 18 . 1 1 6 6 ASP H H 6 8.765 8.765 8.380 0.385 26066 1080 1 18 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.300 -0.084 26066 1081 1 18 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.514 0.168 26066 1082 1 18 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.452 0.044 26066 1083 1 18 . 1 1 8 8 PHE N N 8 115.531 115.531 117.465 -1.934 26066 1084 1 18 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.588 0.035 26066 1085 1 18 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.014 -1.419 26066 1086 1 18 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.789 -0.294 26066 1087 1 18 . 1 1 8 8 PHE H H 8 7.905 7.905 7.958 -0.053 26066 1088 1 18 . 1 1 9 9 GLY N N 9 108.059 108.059 106.526 1.533 26066 1089 1 18 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.764 0.469 26066 1090 1 18 . 1 1 9 9 GLY H H 9 8.126 8.126 7.686 0.440 26066 1091 1 18 . 1 1 10 10 SER HA H 10 4.581 4.581 4.643 -0.062 26066 1092 1 18 . 1 1 10 10 SER CA C 10 58.095 58.095 57.918 0.177 26066 1093 1 18 . 1 1 10 10 SER H H 10 8.422 8.422 7.925 0.497 26066 1094 1 18 . 1 1 11 11 THR N N 11 119.831 119.831 120.635 -0.804 26066 1095 1 18 . 1 1 11 11 THR HA H 11 4.590 4.590 4.418 0.172 26066 1096 1 18 . 1 1 11 11 THR CA C 11 62.893 62.893 62.590 0.303 26066 1097 1 18 . 1 1 11 11 THR CB C 11 69.249 69.249 69.370 -0.121 26066 1098 1 18 . 1 1 11 11 THR H H 11 8.620 8.620 8.391 0.229 26066 1099 1 18 . 1 1 12 12 LEU N N 12 130.204 130.204 129.033 1.171 26066 1100 1 18 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.619 -0.088 26066 1101 1 18 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.875 -0.115 26066 1102 1 18 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.011 -2.207 26066 1103 1 18 . 1 1 12 12 LEU H H 12 8.771 8.771 7.843 0.928 26066 1104 1 18 . 1 1 13 13 CYS N N 13 120.436 120.436 119.251 1.185 26066 1105 1 18 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.779 0.399 26066 1106 1 18 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.892 -2.595 26066 1107 1 18 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.928 15.997 26066 1108 1 18 . 1 1 13 13 CYS H H 13 8.621 8.621 8.379 0.242 26066 1109 1 18 . 1 1 14 14 ALA N N 14 121.212 121.212 126.475 -5.263 26066 1110 1 18 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.846 -0.077 26066 1111 1 18 . 1 1 14 14 ALA CA C 14 50.529 50.529 50.070 0.459 26066 1112 1 18 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.723 0.061 26066 1113 1 18 . 1 1 14 14 ALA H H 14 8.455 8.455 8.586 -0.131 26066 1114 1 18 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.411 -0.090 26066 1115 1 18 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.801 1.121 26066 1116 1 18 . 1 1 15 15 PRO CB C 15 31.631 31.631 32.159 -0.528 26066 1117 1 19 . 1 1 2 2 ILE N N 2 121.057 121.057 122.255 -1.198 26066 1118 1 19 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.347 -0.216 26066 1119 1 19 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.758 0.079 26066 1120 1 19 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.694 -2.160 26066 1121 1 19 . 1 1 2 2 ILE H H 2 7.413 7.413 7.718 -0.305 26066 1122 1 19 . 1 1 3 3 CYS N N 3 126.411 126.411 127.886 -1.475 26066 1123 1 19 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.714 0.934 26066 1124 1 19 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.745 -3.121 26066 1125 1 19 . 1 1 3 3 CYS CB C 3 47.273 47.273 27.360 19.913 26066 1126 1 19 . 1 1 3 3 CYS H H 3 8.642 8.642 9.069 -0.427 26066 1127 1 19 . 1 1 4 4 PHE N N 4 121.069 121.069 123.752 -2.683 26066 1128 1 19 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.968 -0.111 26066 1129 1 19 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.325 -0.357 26066 1130 1 19 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.513 -0.305 26066 1131 1 19 . 1 1 4 4 PHE H H 4 8.979 8.979 8.131 0.848 26066 1132 1 19 . 1 1 5 5 LYS N N 5 119.330 119.330 122.779 -3.449 26066 1133 1 19 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.298 0.599 26066 1134 1 19 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.632 -1.057 26066 1135 1 19 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.228 0.457 26066 1136 1 19 . 1 1 5 5 LYS H H 5 8.420 8.420 8.378 0.042 26066 1137 1 19 . 1 1 6 6 ASP N N 6 127.302 127.302 124.589 2.713 26066 1138 1 19 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.039 -0.281 26066 1139 1 19 . 1 1 6 6 ASP CA C 6 52.408 52.408 51.648 0.760 26066 1140 1 19 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.120 -0.535 26066 1141 1 19 . 1 1 6 6 ASP H H 6 8.765 8.765 8.208 0.557 26066 1142 1 19 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.323 -0.107 26066 1143 1 19 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.748 -0.066 26066 1144 1 19 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.526 -0.030 26066 1145 1 19 . 1 1 8 8 PHE N N 8 115.531 115.531 117.478 -1.947 26066 1146 1 19 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.501 0.122 26066 1147 1 19 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.431 -1.836 26066 1148 1 19 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.958 -0.463 26066 1149 1 19 . 1 1 8 8 PHE H H 8 7.905 7.905 8.092 -0.187 26066 1150 1 19 . 1 1 9 9 GLY N N 9 108.059 108.059 106.493 1.566 26066 1151 1 19 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.822 0.411 26066 1152 1 19 . 1 1 9 9 GLY H H 9 8.126 8.126 7.672 0.454 26066 1153 1 19 . 1 1 10 10 SER HA H 10 4.581 4.581 4.548 0.033 26066 1154 1 19 . 1 1 10 10 SER CA C 10 58.095 58.095 58.791 -0.696 26066 1155 1 19 . 1 1 10 10 SER H H 10 8.422 8.422 8.054 0.368 26066 1156 1 19 . 1 1 11 11 THR N N 11 119.831 119.831 117.628 2.203 26066 1157 1 19 . 1 1 11 11 THR HA H 11 4.590 4.590 4.335 0.255 26066 1158 1 19 . 1 1 11 11 THR CA C 11 62.893 62.893 61.290 1.603 26066 1159 1 19 . 1 1 11 11 THR CB C 11 69.249 69.249 69.697 -0.448 26066 1160 1 19 . 1 1 11 11 THR H H 11 8.620 8.620 8.358 0.262 26066 1161 1 19 . 1 1 12 12 LEU N N 12 130.204 130.204 130.117 0.087 26066 1162 1 19 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.558 -0.027 26066 1163 1 19 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.625 0.135 26066 1164 1 19 . 1 1 12 12 LEU CB C 12 43.804 43.804 43.733 0.071 26066 1165 1 19 . 1 1 12 12 LEU H H 12 8.771 8.771 7.905 0.866 26066 1166 1 19 . 1 1 13 13 CYS N N 13 120.436 120.436 123.551 -3.115 26066 1167 1 19 . 1 1 13 13 CYS HA H 13 5.178 5.178 5.129 0.049 26066 1168 1 19 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.761 -2.465 26066 1169 1 19 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.622 16.303 26066 1170 1 19 . 1 1 13 13 CYS H H 13 8.621 8.621 8.529 0.092 26066 1171 1 19 . 1 1 14 14 ALA N N 14 121.212 121.212 127.183 -5.971 26066 1172 1 19 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.949 -0.180 26066 1173 1 19 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.895 0.634 26066 1174 1 19 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.807 -0.023 26066 1175 1 19 . 1 1 14 14 ALA H H 14 8.455 8.455 8.742 -0.287 26066 1176 1 19 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.374 -0.053 26066 1177 1 19 . 1 1 15 15 PRO CA C 15 64.922 64.922 64.222 0.700 26066 1178 1 19 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.882 -0.251 26066 1179 1 20 . 1 1 2 2 ILE N N 2 121.057 121.057 122.418 -1.361 26066 1180 1 20 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.410 -0.279 26066 1181 1 20 . 1 1 2 2 ILE CA C 2 60.837 60.837 59.378 1.459 26066 1182 1 20 . 1 1 2 2 ILE CB C 2 36.534 36.534 37.397 -0.863 26066 1183 1 20 . 1 1 2 2 ILE H H 2 7.413 7.413 7.767 -0.354 26066 1184 1 20 . 1 1 3 3 CYS N N 3 126.411 126.411 127.608 -1.197 26066 1185 1 20 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.391 1.257 26066 1186 1 20 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.736 -3.112 26066 1187 1 20 . 1 1 3 3 CYS CB C 3 47.273 47.273 27.881 19.392 26066 1188 1 20 . 1 1 3 3 CYS H H 3 8.642 8.642 8.955 -0.313 26066 1189 1 20 . 1 1 4 4 PHE N N 4 121.069 121.069 123.994 -2.925 26066 1190 1 20 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.932 -0.075 26066 1191 1 20 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.170 -0.202 26066 1192 1 20 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.036 0.172 26066 1193 1 20 . 1 1 4 4 PHE H H 4 8.979 8.979 7.650 1.329 26066 1194 1 20 . 1 1 5 5 LYS N N 5 119.330 119.330 123.503 -4.173 26066 1195 1 20 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.459 0.438 26066 1196 1 20 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.915 -1.340 26066 1197 1 20 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.145 0.540 26066 1198 1 20 . 1 1 5 5 LYS H H 5 8.420 8.420 8.524 -0.104 26066 1199 1 20 . 1 1 6 6 ASP N N 6 127.302 127.302 126.453 0.849 26066 1200 1 20 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.946 -0.188 26066 1201 1 20 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.882 -0.474 26066 1202 1 20 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.547 -0.963 26066 1203 1 20 . 1 1 6 6 ASP H H 6 8.765 8.765 8.220 0.545 26066 1204 1 20 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.309 -0.093 26066 1205 1 20 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.626 0.056 26066 1206 1 20 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.581 -0.085 26066 1207 1 20 . 1 1 8 8 PHE N N 8 115.531 115.531 117.336 -1.805 26066 1208 1 20 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.567 0.056 26066 1209 1 20 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.332 -1.737 26066 1210 1 20 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.136 -0.641 26066 1211 1 20 . 1 1 8 8 PHE H H 8 7.905 7.905 8.011 -0.106 26066 1212 1 20 . 1 1 9 9 GLY N N 9 108.059 108.059 107.154 0.905 26066 1213 1 20 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.881 0.352 26066 1214 1 20 . 1 1 9 9 GLY H H 9 8.126 8.126 7.711 0.415 26066 1215 1 20 . 1 1 10 10 SER HA H 10 4.581 4.581 4.505 0.076 26066 1216 1 20 . 1 1 10 10 SER CA C 10 58.095 58.095 58.359 -0.264 26066 1217 1 20 . 1 1 10 10 SER H H 10 8.422 8.422 8.002 0.420 26066 1218 1 20 . 1 1 11 11 THR N N 11 119.831 119.831 119.180 0.651 26066 1219 1 20 . 1 1 11 11 THR HA H 11 4.590 4.590 4.500 0.090 26066 1220 1 20 . 1 1 11 11 THR CA C 11 62.893 62.893 62.318 0.576 26066 1221 1 20 . 1 1 11 11 THR CB C 11 69.249 69.249 69.279 -0.030 26066 1222 1 20 . 1 1 11 11 THR H H 11 8.620 8.620 8.210 0.410 26066 1223 1 20 . 1 1 12 12 LEU N N 12 130.204 130.204 129.101 1.103 26066 1224 1 20 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.638 -0.107 26066 1225 1 20 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.877 -0.117 26066 1226 1 20 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.302 -2.498 26066 1227 1 20 . 1 1 12 12 LEU H H 12 8.771 8.771 8.339 0.432 26066 1228 1 20 . 1 1 13 13 CYS N N 13 120.436 120.436 118.833 1.603 26066 1229 1 20 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.517 0.661 26066 1230 1 20 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.525 -2.229 26066 1231 1 20 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.421 15.504 26066 1232 1 20 . 1 1 13 13 CYS H H 13 8.621 8.621 8.296 0.325 26066 1233 1 20 . 1 1 14 14 ALA N N 14 121.212 121.212 123.867 -2.655 26066 1234 1 20 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.738 0.031 26066 1235 1 20 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.765 0.764 26066 1236 1 20 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.251 -0.467 26066 1237 1 20 . 1 1 14 14 ALA H H 14 8.455 8.455 8.478 -0.023 26066 1238 1 20 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.361 -0.040 26066 1239 1 20 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.949 0.973 26066 1240 1 20 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.776 -0.144 26066 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 11 2.685 0.961 2.629 26066 2 1 1 "Average Difference" HA 15 0.367 -0.108 0.364 26066 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 26066 4 1 1 "Average Difference" CA 14 1.316 0.364 1.312 26066 5 1 1 "Average Difference" CB 12 7.098 -2.315 7.009 26066 6 1 1 "Average Difference" HN 12 0.496 -0.168 0.488 26066 7 1 2 "Average Difference" N 11 2.313 0.905 2.233 26066 8 1 2 "Average Difference" HA 15 0.363 -0.102 0.360 26066 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 26066 10 1 2 "Average Difference" CA 14 1.266 0.370 1.256 26066 11 1 2 "Average Difference" CB 12 7.235 -2.537 7.077 26066 12 1 2 "Average Difference" HN 12 0.477 -0.253 0.423 26066 13 1 3 "Average Difference" N 11 2.716 1.083 2.612 26066 14 1 3 "Average Difference" HA 15 0.308 -0.112 0.296 26066 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 26066 16 1 3 "Average Difference" CA 14 1.138 0.424 1.096 26066 17 1 3 "Average Difference" CB 12 6.806 -2.280 6.698 26066 18 1 3 "Average Difference" HN 12 0.324 -0.102 0.321 26066 19 1 4 "Average Difference" N 11 2.440 1.417 2.083 26066 20 1 4 "Average Difference" HA 15 0.342 -0.104 0.337 26066 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 26066 22 1 4 "Average Difference" CA 14 1.310 0.442 1.280 26066 23 1 4 "Average Difference" CB 12 7.367 -2.539 7.223 26066 24 1 4 "Average Difference" HN 12 0.332 -0.141 0.314 26066 25 1 5 "Average Difference" N 11 2.256 0.444 2.320 26066 26 1 5 "Average Difference" HA 15 0.378 -0.151 0.359 26066 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 26066 28 1 5 "Average Difference" CA 14 1.400 0.366 1.402 26066 29 1 5 "Average Difference" CB 12 7.641 -2.684 7.473 26066 30 1 5 "Average Difference" HN 12 0.492 -0.123 0.497 26066 31 1 6 "Average Difference" N 11 2.127 0.786 2.073 26066 32 1 6 "Average Difference" HA 15 0.369 -0.137 0.355 26066 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 26066 34 1 6 "Average Difference" CA 14 1.286 0.312 1.295 26066 35 1 6 "Average Difference" CB 12 6.970 -2.545 6.777 26066 36 1 6 "Average Difference" HN 12 0.503 -0.238 0.463 26066 37 1 7 "Average Difference" N 11 2.498 1.136 2.334 26066 38 1 7 "Average Difference" HA 15 0.450 -0.172 0.431 26066 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 26066 40 1 7 "Average Difference" CA 14 1.256 0.413 1.231 26066 41 1 7 "Average Difference" CB 12 7.532 -2.683 7.351 26066 42 1 7 "Average Difference" HN 12 0.426 -0.095 0.434 26066 43 1 8 "Average Difference" N 11 2.673 0.073 2.803 26066 44 1 8 "Average Difference" HA 15 0.356 -0.113 0.349 26066 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 26066 46 1 8 "Average Difference" CA 14 1.310 0.523 1.246 26066 47 1 8 "Average Difference" CB 12 7.064 -2.296 6.978 26066 48 1 8 "Average Difference" HN 12 0.455 -0.294 0.362 26066 49 1 9 "Average Difference" N 11 2.184 0.766 2.145 26066 50 1 9 "Average Difference" HA 15 0.433 -0.142 0.424 26066 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 26066 52 1 9 "Average Difference" CA 14 1.358 0.462 1.325 26066 53 1 9 "Average Difference" CB 12 6.567 -2.037 6.521 26066 54 1 9 "Average Difference" HN 12 0.361 -0.066 0.371 26066 55 1 10 "Average Difference" N 11 2.265 0.671 2.268 26066 56 1 10 "Average Difference" HA 15 0.276 -0.058 0.279 26066 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 26066 58 1 10 "Average Difference" CA 14 1.365 0.363 1.366 26066 59 1 10 "Average Difference" CB 12 7.071 -2.344 6.967 26066 60 1 10 "Average Difference" HN 12 0.506 -0.230 0.470 26066 61 1 11 "Average Difference" N 11 2.554 1.241 2.341 26066 62 1 11 "Average Difference" HA 15 0.347 -0.154 0.321 26066 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 26066 64 1 11 "Average Difference" CA 14 1.398 0.641 1.290 26066 65 1 11 "Average Difference" CB 12 6.839 -2.604 6.605 26066 66 1 11 "Average Difference" HN 12 0.408 -0.180 0.382 26066 67 1 12 "Average Difference" N 11 2.636 1.301 2.404 26066 68 1 12 "Average Difference" HA 15 0.401 -0.110 0.399 26066 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 26066 70 1 12 "Average Difference" CA 14 1.395 0.403 1.385 26066 71 1 12 "Average Difference" CB 12 6.957 -2.579 6.748 26066 72 1 12 "Average Difference" HN 12 0.301 -0.118 0.289 26066 73 1 13 "Average Difference" N 11 2.073 0.458 2.121 26066 74 1 13 "Average Difference" HA 15 0.365 -0.087 0.366 26066 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 26066 76 1 13 "Average Difference" CA 14 1.228 0.239 1.250 26066 77 1 13 "Average Difference" CB 12 6.933 -2.127 6.892 26066 78 1 13 "Average Difference" HN 12 0.324 -0.150 0.300 26066 79 1 14 "Average Difference" N 11 2.191 0.695 2.179 26066 80 1 14 "Average Difference" HA 15 0.428 -0.159 0.411 26066 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 26066 82 1 14 "Average Difference" CA 14 1.283 0.342 1.283 26066 83 1 14 "Average Difference" CB 12 6.653 -2.110 6.591 26066 84 1 14 "Average Difference" HN 12 0.253 -0.026 0.262 26066 85 1 15 "Average Difference" N 11 2.828 0.529 2.914 26066 86 1 15 "Average Difference" HA 15 0.396 -0.149 0.380 26066 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 26066 88 1 15 "Average Difference" CA 14 1.387 0.566 1.314 26066 89 1 15 "Average Difference" CB 12 7.301 -2.519 7.157 26066 90 1 15 "Average Difference" HN 12 0.492 -0.228 0.455 26066 91 1 16 "Average Difference" N 11 2.717 1.410 2.436 26066 92 1 16 "Average Difference" HA 15 0.377 -0.154 0.356 26066 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 26066 94 1 16 "Average Difference" CA 14 1.301 0.514 1.240 26066 95 1 16 "Average Difference" CB 12 7.140 -2.566 6.960 26066 96 1 16 "Average Difference" HN 12 0.445 -0.154 0.436 26066 97 1 17 "Average Difference" N 11 2.182 0.877 2.096 26066 98 1 17 "Average Difference" HA 15 0.404 -0.159 0.385 26066 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 26066 100 1 17 "Average Difference" CA 14 1.298 0.517 1.235 26066 101 1 17 "Average Difference" CB 12 7.063 -2.332 6.963 26066 102 1 17 "Average Difference" HN 12 0.475 -0.252 0.420 26066 103 1 18 "Average Difference" N 11 2.372 0.422 2.448 26066 104 1 18 "Average Difference" HA 15 0.318 -0.096 0.314 26066 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 26066 106 1 18 "Average Difference" CA 14 1.155 0.410 1.121 26066 107 1 18 "Average Difference" CB 12 7.384 -2.337 7.316 26066 108 1 18 "Average Difference" HN 12 0.417 -0.261 0.339 26066 109 1 19 "Average Difference" N 11 2.805 1.206 2.656 26066 110 1 19 "Average Difference" HA 15 0.354 -0.104 0.350 26066 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 26066 112 1 19 "Average Difference" CA 14 1.340 0.377 1.335 26066 113 1 19 "Average Difference" CB 12 7.461 -2.711 7.261 26066 114 1 19 "Average Difference" HN 12 0.465 -0.190 0.443 26066 115 1 20 "Average Difference" N 11 2.030 0.819 1.948 26066 116 1 20 "Average Difference" HA 15 0.429 -0.159 0.412 26066 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 26066 118 1 20 "Average Difference" CA 14 1.308 0.378 1.299 26066 119 1 20 "Average Difference" CB 12 7.219 -2.493 7.076 26066 120 1 20 "Average Difference" HN 12 0.510 -0.248 0.465 26066 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 26066 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ILE N N 2 121.057 121.057 122.394 -1.337 26066 2 1 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.231 -0.100 26066 3 1 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.853 -0.016 26066 4 1 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.235 -1.701 26066 5 1 . 1 1 2 2 ILE H H 2 7.413 7.413 7.759 -0.346 26066 6 1 . 1 1 3 3 CYS N N 3 126.411 126.411 126.035 0.376 26066 7 1 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.619 1.029 26066 8 1 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.331 -2.707 26066 9 1 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.818 18.455 26066 10 1 . 1 1 3 3 CYS H H 3 8.642 8.642 8.705 -0.063 26066 11 1 . 1 1 4 4 PHE N N 4 121.069 121.069 123.153 -2.084 26066 12 1 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.925 -0.068 26066 13 1 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.241 -0.273 26066 14 1 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.528 -0.320 26066 15 1 . 1 1 4 4 PHE H H 4 8.979 8.979 8.333 0.646 26066 16 1 . 1 1 5 5 LYS N N 5 119.330 119.330 123.040 -3.710 26066 17 1 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.461 0.436 26066 18 1 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.500 -0.925 26066 19 1 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.379 0.306 26066 20 1 . 1 1 5 5 LYS H H 5 8.420 8.420 8.486 -0.066 26066 21 1 . 1 1 6 6 ASP N N 6 127.302 127.302 125.763 1.539 26066 22 1 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.949 -0.191 26066 23 1 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.420 -0.012 26066 24 1 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.470 -0.885 26066 25 1 . 1 1 6 6 ASP H H 6 8.765 8.765 8.279 0.486 26066 26 1 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.332 -0.116 26066 27 1 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.578 0.104 26066 28 1 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.615 -0.119 26066 29 1 . 1 1 8 8 PHE N N 8 115.531 115.531 117.415 -1.884 26066 30 1 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.520 0.103 26066 31 1 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.441 -1.846 26066 32 1 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.972 -0.478 26066 33 1 . 1 1 8 8 PHE H H 8 7.905 7.905 8.101 -0.196 26066 34 1 . 1 1 9 9 GLY N N 9 108.059 108.059 106.923 1.136 26066 35 1 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.859 0.374 26066 36 1 . 1 1 9 9 GLY H H 9 8.126 8.126 7.702 0.424 26066 37 1 . 1 1 10 10 SER HA H 10 4.581 4.581 4.532 0.049 26066 38 1 . 1 1 10 10 SER CA C 10 58.095 58.095 58.526 -0.431 26066 39 1 . 1 1 10 10 SER H H 10 8.422 8.422 8.057 0.365 26066 40 1 . 1 1 11 11 THR N N 11 119.831 119.831 119.272 0.559 26066 41 1 . 1 1 11 11 THR HA H 11 4.590 4.590 4.443 0.147 26066 42 1 . 1 1 11 11 THR CA C 11 62.893 62.893 62.190 0.704 26066 43 1 . 1 1 11 11 THR CB C 11 69.249 69.249 69.300 -0.051 26066 44 1 . 1 1 11 11 THR H H 11 8.620 8.620 8.317 0.303 26066 45 1 . 1 1 12 12 LEU N N 12 130.204 130.204 129.232 0.972 26066 46 1 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.645 -0.114 26066 47 1 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.028 -0.268 26066 48 1 . 1 1 12 12 LEU CB C 12 43.804 43.804 45.309 -1.505 26066 49 1 . 1 1 12 12 LEU H H 12 8.771 8.771 8.168 0.603 26066 50 1 . 1 1 13 13 CYS N N 13 120.436 120.436 120.939 -0.503 26066 51 1 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.786 0.392 26066 52 1 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.844 -2.548 26066 53 1 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.883 16.042 26066 54 1 . 1 1 13 13 CYS H H 13 8.621 8.621 8.474 0.147 26066 55 1 . 1 1 14 14 ALA N N 14 121.212 121.212 125.737 -4.525 26066 56 1 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.935 -0.166 26066 57 1 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.766 0.763 26066 58 1 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.043 -0.259 26066 59 1 . 1 1 14 14 ALA H H 14 8.455 8.455 8.647 -0.192 26066 60 1 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.379 -0.058 26066 61 1 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.739 1.183 26066 62 1 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.935 -0.304 26066 stop_ save_