data_16074_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16074 _Entry.PDB_ID 2KCH _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_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.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 5 . 1 1 1 A 2 2 GLY H H 2 8.645 8.161 0.484 1 1 6 . 1 1 1 A 2 2 GLY HA2 H 2 3.887 3.937 -0.050 1 1 7 . 1 1 1 A 2 2 GLY HA3 H 2 3.764 3.940 -0.176 1 1 8 . 1 1 1 A 3 3 GLU H H 3 7.071 8.047 -0.976 1 1 9 . 1 1 1 A 3 3 GLU HA H 3 4.867 4.323 0.544 1 1 14 . 1 1 1 A 4 4 THR H H 4 8.448 8.715 -0.267 1 1 15 . 1 1 1 A 4 4 THR HA H 4 4.451 4.623 -0.172 1 1 19 . 1 1 1 A 5 5 CYS H H 5 8.289 8.795 -0.506 1 1 20 . 1 1 1 A 5 5 CYS HA H 5 5.162 4.662 0.500 1 1 23 . 1 1 1 A 6 6 PHE H H 6 9.659 8.056 1.603 1 1 24 . 1 1 1 A 6 6 PHE HA H 6 4.022 3.876 0.146 1 1 30 . 1 1 1 A 7 7 GLY H H 7 9.220 7.997 1.223 1 1 31 . 1 1 1 A 7 7 GLY HA2 H 7 4.462 3.855 0.607 1 1 32 . 1 1 1 A 7 7 GLY HA3 H 7 3.881 3.949 -0.068 1 1 33 . 1 1 1 A 8 8 GLY H H 8 8.215 8.639 -0.424 1 1 34 . 1 1 1 A 8 8 GLY HA2 H 8 4.577 3.984 0.593 1 1 35 . 1 1 1 A 8 8 GLY HA3 H 8 4.139 4.062 0.077 1 1 36 . 1 1 1 A 9 9 THR H H 9 8.012 7.671 0.341 1 1 37 . 1 1 1 A 9 9 THR HA H 9 4.740 4.268 0.472 1 1 42 . 1 1 1 A 10 10 CYS H H 10 8.576 8.656 -0.080 1 1 43 . 1 1 1 A 10 10 CYS HA H 10 4.685 5.099 -0.414 1 1 46 . 1 1 1 A 11 11 ASN H H 11 11.445 9.522 1.923 1 1 47 . 1 1 1 A 11 11 ASN HA H 11 4.827 4.652 0.175 1 1 52 . 1 1 1 A 12 12 THR H H 12 9.679 7.992 1.687 1 1 53 . 1 1 1 A 12 12 THR HA H 12 4.369 4.501 -0.132 1 1 57 . 1 1 1 A 13 13 PRO HA H 13 4.308 4.275 0.033 1 1 64 . 1 1 1 A 14 14 GLY H H 14 8.748 8.862 -0.114 1 1 65 . 1 1 1 A 14 14 GLY HA2 H 14 4.229 3.816 0.413 1 1 66 . 1 1 1 A 14 14 GLY HA3 H 14 3.747 3.817 -0.070 1 1 67 . 1 1 1 A 15 15 CYS H H 15 7.712 7.597 0.115 1 1 68 . 1 1 1 A 15 15 CYS HA H 15 5.331 4.616 0.715 1 1 71 . 1 1 1 A 16 16 SER H H 16 9.548 9.382 0.166 1 1 72 . 1 1 1 A 16 16 SER HA H 16 4.720 4.919 -0.199 1 1 75 . 1 1 1 A 17 17 CYS H H 17 9.028 8.794 0.234 1 1 76 . 1 1 1 A 17 17 CYS HA H 17 4.684 4.593 0.091 1 1 79 . 1 1 1 A 18 18 THR H H 18 8.737 8.613 0.124 1 1 80 . 1 1 1 A 18 18 THR HA H 18 4.498 4.869 -0.371 1 1 85 . 1 1 1 A 19 19 TRP H H 19 7.677 8.173 -0.496 1 1 86 . 1 1 1 A 19 19 TRP HA H 19 4.007 4.421 -0.414 1 1 95 . 1 1 1 A 20 20 PRO HA H 20 3.323 3.715 -0.392 1 1 102 . 1 1 1 A 21 21 ILE H H 21 8.646 7.634 1.012 1 1 103 . 1 1 1 A 21 21 ILE HA H 21 4.249 4.740 -0.491 1 1 113 . 1 1 1 A 22 22 CYS H H 22 7.444 8.905 -1.461 1 1 114 . 1 1 1 A 22 22 CYS HA H 22 5.082 5.290 -0.208 1 1 117 . 1 1 1 A 23 23 THR H H 23 9.953 9.426 0.527 1 1 118 . 1 1 1 A 23 23 THR HA H 23 5.065 5.375 -0.310 1 1 123 . 1 1 1 A 24 24 ARG H H 24 8.743 8.532 0.211 1 1 124 . 1 1 1 A 24 24 ARG HA H 24 4.793 4.862 -0.069 1 1 132 . 1 1 1 A 25 25 ASP H H 25 9.403 9.492 -0.089 1 1 133 . 1 1 1 A 25 25 ASP HA H 25 4.376 4.405 -0.029 1 1 136 . 1 1 1 A 26 26 GLY H H 26 8.543 8.535 0.008 1 1 137 . 1 1 1 A 26 26 GLY HA2 H 26 4.212 3.831 0.381 1 1 138 . 1 1 1 A 26 26 GLY HA3 H 26 3.616 3.832 -0.216 1 1 139 . 1 1 1 A 27 27 LEU H H 27 7.799 8.235 -0.436 1 1 140 . 1 1 1 A 27 27 LEU HA H 27 5.103 4.549 0.554 1 1 150 . 1 1 1 A 28 28 PRO HA H 28 5.096 4.567 0.529 1 1 5 . 2 1 1 A 2 2 GLY H H 2 8.645 8.177 0.468 1 1 6 . 2 1 1 A 2 2 GLY HA2 H 2 3.887 3.945 -0.058 1 1 7 . 2 1 1 A 2 2 GLY HA3 H 2 3.764 3.946 -0.182 1 1 8 . 2 1 1 A 3 3 GLU H H 3 7.071 8.058 -0.987 1 1 9 . 2 1 1 A 3 3 GLU HA H 3 4.867 4.335 0.532 1 1 14 . 2 1 1 A 4 4 THR H H 4 8.448 8.441 0.007 1 1 15 . 2 1 1 A 4 4 THR HA H 4 4.451 4.787 -0.336 1 1 19 . 2 1 1 A 5 5 CYS H H 5 8.289 8.881 -0.592 1 1 20 . 2 1 1 A 5 5 CYS HA H 5 5.162 4.685 0.477 1 1 23 . 2 1 1 A 6 6 PHE H H 6 9.659 8.047 1.612 1 1 24 . 2 1 1 A 6 6 PHE HA H 6 4.022 3.641 0.381 1 1 30 . 2 1 1 A 7 7 GLY H H 7 9.220 8.033 1.187 1 1 31 . 2 1 1 A 7 7 GLY HA2 H 7 4.462 4.047 0.415 1 1 32 . 2 1 1 A 7 7 GLY HA3 H 7 3.881 4.109 -0.228 1 1 33 . 2 1 1 A 8 8 GLY H H 8 8.215 8.639 -0.424 1 1 34 . 2 1 1 A 8 8 GLY HA2 H 8 4.577 4.055 0.522 1 1 35 . 2 1 1 A 8 8 GLY HA3 H 8 4.139 4.078 0.061 1 1 36 . 2 1 1 A 9 9 THR H H 9 8.012 7.823 0.189 1 1 37 . 2 1 1 A 9 9 THR HA H 9 4.740 4.907 -0.167 1 1 42 . 2 1 1 A 10 10 CYS H H 10 8.576 8.868 -0.292 1 1 43 . 2 1 1 A 10 10 CYS HA H 10 4.685 5.537 -0.852 1 1 46 . 2 1 1 A 11 11 ASN H H 11 11.445 9.370 2.075 1 1 47 . 2 1 1 A 11 11 ASN HA H 11 4.827 4.714 0.113 1 1 52 . 2 1 1 A 12 12 THR H H 12 9.679 7.615 2.064 1 1 53 . 2 1 1 A 12 12 THR HA H 12 4.369 4.515 -0.146 1 1 57 . 2 1 1 A 13 13 PRO HA H 13 4.308 4.276 0.032 1 1 64 . 2 1 1 A 14 14 GLY H H 14 8.748 8.820 -0.072 1 1 65 . 2 1 1 A 14 14 GLY HA2 H 14 4.229 3.810 0.419 1 1 66 . 2 1 1 A 14 14 GLY HA3 H 14 3.747 3.811 -0.064 1 1 67 . 2 1 1 A 15 15 CYS H H 15 7.712 7.579 0.133 1 1 68 . 2 1 1 A 15 15 CYS HA H 15 5.331 4.663 0.668 1 1 71 . 2 1 1 A 16 16 SER H H 16 9.548 9.449 0.099 1 1 72 . 2 1 1 A 16 16 SER HA H 16 4.720 4.994 -0.274 1 1 75 . 2 1 1 A 17 17 CYS H H 17 9.028 8.923 0.105 1 1 76 . 2 1 1 A 17 17 CYS HA H 17 4.684 4.545 0.139 1 1 79 . 2 1 1 A 18 18 THR H H 18 8.737 8.614 0.123 1 1 80 . 2 1 1 A 18 18 THR HA H 18 4.498 4.806 -0.308 1 1 85 . 2 1 1 A 19 19 TRP H H 19 7.677 8.288 -0.611 1 1 86 . 2 1 1 A 19 19 TRP HA H 19 4.007 4.325 -0.318 1 1 95 . 2 1 1 A 20 20 PRO HA H 20 3.323 3.407 -0.084 1 1 102 . 2 1 1 A 21 21 ILE H H 21 8.646 7.520 1.126 1 1 103 . 2 1 1 A 21 21 ILE HA H 21 4.249 4.758 -0.509 1 1 113 . 2 1 1 A 22 22 CYS H H 22 7.444 9.052 -1.608 1 1 114 . 2 1 1 A 22 22 CYS HA H 22 5.082 5.107 -0.025 1 1 117 . 2 1 1 A 23 23 THR H H 23 9.953 9.275 0.678 1 1 118 . 2 1 1 A 23 23 THR HA H 23 5.065 5.116 -0.051 1 1 123 . 2 1 1 A 24 24 ARG H H 24 8.743 8.514 0.229 1 1 124 . 2 1 1 A 24 24 ARG HA H 24 4.793 4.829 -0.036 1 1 132 . 2 1 1 A 25 25 ASP H H 25 9.403 8.980 0.423 1 1 133 . 2 1 1 A 25 25 ASP HA H 25 4.376 4.407 -0.031 1 1 136 . 2 1 1 A 26 26 GLY H H 26 8.543 8.690 -0.147 1 1 137 . 2 1 1 A 26 26 GLY HA2 H 26 4.212 3.862 0.350 1 1 138 . 2 1 1 A 26 26 GLY HA3 H 26 3.616 3.863 -0.247 1 1 139 . 2 1 1 A 27 27 LEU H H 27 7.799 8.196 -0.397 1 1 140 . 2 1 1 A 27 27 LEU HA H 27 5.103 4.629 0.474 1 1 150 . 2 1 1 A 28 28 PRO HA H 28 5.096 4.616 0.480 1 1 5 . 3 1 1 A 2 2 GLY H H 2 8.645 8.169 0.476 1 1 6 . 3 1 1 A 2 2 GLY HA2 H 2 3.887 3.942 -0.055 1 1 7 . 3 1 1 A 2 2 GLY HA3 H 2 3.764 3.944 -0.180 1 1 8 . 3 1 1 A 3 3 GLU H H 3 7.071 8.081 -1.010 1 1 9 . 3 1 1 A 3 3 GLU HA H 3 4.867 4.331 0.536 1 1 14 . 3 1 1 A 4 4 THR H H 4 8.448 8.467 -0.019 1 1 15 . 3 1 1 A 4 4 THR HA H 4 4.451 4.666 -0.215 1 1 19 . 3 1 1 A 5 5 CYS H H 5 8.289 8.838 -0.549 1 1 20 . 3 1 1 A 5 5 CYS HA H 5 5.162 4.654 0.508 1 1 23 . 3 1 1 A 6 6 PHE H H 6 9.659 8.032 1.627 1 1 24 . 3 1 1 A 6 6 PHE HA H 6 4.022 3.722 0.300 1 1 30 . 3 1 1 A 7 7 GLY H H 7 9.220 7.922 1.298 1 1 31 . 3 1 1 A 7 7 GLY HA2 H 7 4.462 3.868 0.594 1 1 32 . 3 1 1 A 7 7 GLY HA3 H 7 3.881 3.953 -0.072 1 1 33 . 3 1 1 A 8 8 GLY H H 8 8.215 8.530 -0.315 1 1 34 . 3 1 1 A 8 8 GLY HA2 H 8 4.577 3.993 0.584 1 1 35 . 3 1 1 A 8 8 GLY HA3 H 8 4.139 4.049 0.090 1 1 36 . 3 1 1 A 9 9 THR H H 9 8.012 7.656 0.356 1 1 37 . 3 1 1 A 9 9 THR HA H 9 4.740 4.331 0.409 1 1 42 . 3 1 1 A 10 10 CYS H H 10 8.576 8.721 -0.145 1 1 43 . 3 1 1 A 10 10 CYS HA H 10 4.685 5.297 -0.612 1 1 46 . 3 1 1 A 11 11 ASN H H 11 11.445 9.492 1.953 1 1 47 . 3 1 1 A 11 11 ASN HA H 11 4.827 4.654 0.173 1 1 52 . 3 1 1 A 12 12 THR H H 12 9.679 7.883 1.796 1 1 53 . 3 1 1 A 12 12 THR HA H 12 4.369 4.516 -0.147 1 1 57 . 3 1 1 A 13 13 PRO HA H 13 4.308 4.275 0.033 1 1 64 . 3 1 1 A 14 14 GLY H H 14 8.748 8.829 -0.081 1 1 65 . 3 1 1 A 14 14 GLY HA2 H 14 4.229 3.815 0.414 1 1 66 . 3 1 1 A 14 14 GLY HA3 H 14 3.747 3.816 -0.069 1 1 67 . 3 1 1 A 15 15 CYS H H 15 7.712 7.526 0.186 1 1 68 . 3 1 1 A 15 15 CYS HA H 15 5.331 4.664 0.667 1 1 71 . 3 1 1 A 16 16 SER H H 16 9.548 9.448 0.100 1 1 72 . 3 1 1 A 16 16 SER HA H 16 4.720 5.055 -0.335 1 1 75 . 3 1 1 A 17 17 CYS H H 17 9.028 8.848 0.180 1 1 76 . 3 1 1 A 17 17 CYS HA H 17 4.684 4.556 0.128 1 1 79 . 3 1 1 A 18 18 THR H H 18 8.737 8.692 0.045 1 1 80 . 3 1 1 A 18 18 THR HA H 18 4.498 4.851 -0.353 1 1 85 . 3 1 1 A 19 19 TRP H H 19 7.677 8.176 -0.499 1 1 86 . 3 1 1 A 19 19 TRP HA H 19 4.007 4.428 -0.421 1 1 95 . 3 1 1 A 20 20 PRO HA H 20 3.323 3.676 -0.353 1 1 102 . 3 1 1 A 21 21 ILE H H 21 8.646 7.510 1.136 1 1 103 . 3 1 1 A 21 21 ILE HA H 21 4.249 4.727 -0.478 1 1 113 . 3 1 1 A 22 22 CYS H H 22 7.444 9.155 -1.711 1 1 114 . 3 1 1 A 22 22 CYS HA H 22 5.082 5.097 -0.015 1 1 117 . 3 1 1 A 23 23 THR H H 23 9.953 9.237 0.716 1 1 118 . 3 1 1 A 23 23 THR HA H 23 5.065 5.091 -0.026 1 1 123 . 3 1 1 A 24 24 ARG H H 24 8.743 8.509 0.234 1 1 124 . 3 1 1 A 24 24 ARG HA H 24 4.793 4.715 0.078 1 1 132 . 3 1 1 A 25 25 ASP H H 25 9.403 9.494 -0.091 1 1 133 . 3 1 1 A 25 25 ASP HA H 25 4.376 4.423 -0.047 1 1 136 . 3 1 1 A 26 26 GLY H H 26 8.543 8.705 -0.162 1 1 137 . 3 1 1 A 26 26 GLY HA2 H 26 4.212 3.869 0.343 1 1 138 . 3 1 1 A 26 26 GLY HA3 H 26 3.616 3.871 -0.255 1 1 139 . 3 1 1 A 27 27 LEU H H 27 7.799 8.135 -0.336 1 1 140 . 3 1 1 A 27 27 LEU HA H 27 5.103 4.569 0.534 1 1 150 . 3 1 1 A 28 28 PRO HA H 28 5.096 4.600 0.496 1 1 5 . 4 1 1 A 2 2 GLY H H 2 8.645 8.173 0.472 1 1 6 . 4 1 1 A 2 2 GLY HA2 H 2 3.887 3.942 -0.055 1 1 7 . 4 1 1 A 2 2 GLY HA3 H 2 3.764 3.943 -0.179 1 1 8 . 4 1 1 A 3 3 GLU H H 3 7.071 8.049 -0.978 1 1 9 . 4 1 1 A 3 3 GLU HA H 3 4.867 4.336 0.531 1 1 14 . 4 1 1 A 4 4 THR H H 4 8.448 8.488 -0.040 1 1 15 . 4 1 1 A 4 4 THR HA H 4 4.451 4.785 -0.334 1 1 19 . 4 1 1 A 5 5 CYS H H 5 8.289 8.866 -0.577 1 1 20 . 4 1 1 A 5 5 CYS HA H 5 5.162 4.690 0.472 1 1 23 . 4 1 1 A 6 6 PHE H H 6 9.659 8.047 1.612 1 1 24 . 4 1 1 A 6 6 PHE HA H 6 4.022 3.686 0.336 1 1 30 . 4 1 1 A 7 7 GLY H H 7 9.220 8.016 1.204 1 1 31 . 4 1 1 A 7 7 GLY HA2 H 7 4.462 4.050 0.412 1 1 32 . 4 1 1 A 7 7 GLY HA3 H 7 3.881 4.111 -0.230 1 1 33 . 4 1 1 A 8 8 GLY H H 8 8.215 8.671 -0.456 1 1 34 . 4 1 1 A 8 8 GLY HA2 H 8 4.577 4.053 0.524 1 1 35 . 4 1 1 A 8 8 GLY HA3 H 8 4.139 4.076 0.063 1 1 36 . 4 1 1 A 9 9 THR H H 9 8.012 7.844 0.168 1 1 37 . 4 1 1 A 9 9 THR HA H 9 4.740 4.904 -0.164 1 1 42 . 4 1 1 A 10 10 CYS H H 10 8.576 8.856 -0.280 1 1 43 . 4 1 1 A 10 10 CYS HA H 10 4.685 5.523 -0.838 1 1 46 . 4 1 1 A 11 11 ASN H H 11 11.445 9.351 2.094 1 1 47 . 4 1 1 A 11 11 ASN HA H 11 4.827 4.729 0.098 1 1 52 . 4 1 1 A 12 12 THR H H 12 9.679 7.742 1.937 1 1 53 . 4 1 1 A 12 12 THR HA H 12 4.369 4.517 -0.148 1 1 57 . 4 1 1 A 13 13 PRO HA H 13 4.308 4.278 0.030 1 1 64 . 4 1 1 A 14 14 GLY H H 14 8.748 8.822 -0.074 1 1 65 . 4 1 1 A 14 14 GLY HA2 H 14 4.229 3.812 0.417 1 1 66 . 4 1 1 A 14 14 GLY HA3 H 14 3.747 3.813 -0.066 1 1 67 . 4 1 1 A 15 15 CYS H H 15 7.712 7.529 0.183 1 1 68 . 4 1 1 A 15 15 CYS HA H 15 5.331 4.679 0.652 1 1 71 . 4 1 1 A 16 16 SER H H 16 9.548 9.465 0.083 1 1 72 . 4 1 1 A 16 16 SER HA H 16 4.720 5.065 -0.345 1 1 75 . 4 1 1 A 17 17 CYS H H 17 9.028 8.930 0.098 1 1 76 . 4 1 1 A 17 17 CYS HA H 17 4.684 4.567 0.117 1 1 79 . 4 1 1 A 18 18 THR H H 18 8.737 8.489 0.248 1 1 80 . 4 1 1 A 18 18 THR HA H 18 4.498 4.925 -0.427 1 1 85 . 4 1 1 A 19 19 TRP H H 19 7.677 8.723 -1.046 1 1 86 . 4 1 1 A 19 19 TRP HA H 19 4.007 4.317 -0.310 1 1 95 . 4 1 1 A 20 20 PRO HA H 20 3.323 3.338 -0.015 1 1 102 . 4 1 1 A 21 21 ILE H H 21 8.646 7.398 1.248 1 1 103 . 4 1 1 A 21 21 ILE HA H 21 4.249 4.713 -0.464 1 1 113 . 4 1 1 A 22 22 CYS H H 22 7.444 9.154 -1.710 1 1 114 . 4 1 1 A 22 22 CYS HA H 22 5.082 5.115 -0.033 1 1 117 . 4 1 1 A 23 23 THR H H 23 9.953 9.255 0.698 1 1 118 . 4 1 1 A 23 23 THR HA H 23 5.065 5.132 -0.067 1 1 123 . 4 1 1 A 24 24 ARG H H 24 8.743 8.466 0.277 1 1 124 . 4 1 1 A 24 24 ARG HA H 24 4.793 4.695 0.098 1 1 132 . 4 1 1 A 25 25 ASP H H 25 9.403 9.493 -0.090 1 1 133 . 4 1 1 A 25 25 ASP HA H 25 4.376 4.407 -0.031 1 1 136 . 4 1 1 A 26 26 GLY H H 26 8.543 8.752 -0.209 1 1 137 . 4 1 1 A 26 26 GLY HA2 H 26 4.212 3.897 0.315 1 1 138 . 4 1 1 A 26 26 GLY HA3 H 26 3.616 3.898 -0.282 1 1 139 . 4 1 1 A 27 27 LEU H H 27 7.799 8.184 -0.385 1 1 140 . 4 1 1 A 27 27 LEU HA H 27 5.103 4.633 0.470 1 1 150 . 4 1 1 A 28 28 PRO HA H 28 5.096 4.618 0.478 1 1 5 . 5 1 1 A 2 2 GLY H H 2 8.645 8.488 0.157 1 1 6 . 5 1 1 A 2 2 GLY HA2 H 2 3.887 3.895 -0.008 1 1 7 . 5 1 1 A 2 2 GLY HA3 H 2 3.764 3.895 -0.131 1 1 8 . 5 1 1 A 3 3 GLU H H 3 7.071 7.765 -0.694 1 1 9 . 5 1 1 A 3 3 GLU HA H 3 4.867 4.907 -0.040 1 1 14 . 5 1 1 A 4 4 THR H H 4 8.448 8.652 -0.204 1 1 15 . 5 1 1 A 4 4 THR HA H 4 4.451 5.017 -0.566 1 1 19 . 5 1 1 A 5 5 CYS H H 5 8.289 8.730 -0.441 1 1 20 . 5 1 1 A 5 5 CYS HA H 5 5.162 4.683 0.479 1 1 23 . 5 1 1 A 6 6 PHE H H 6 9.659 8.040 1.619 1 1 24 . 5 1 1 A 6 6 PHE HA H 6 4.022 3.668 0.354 1 1 30 . 5 1 1 A 7 7 GLY H H 7 9.220 7.999 1.221 1 1 31 . 5 1 1 A 7 7 GLY HA2 H 7 4.462 4.039 0.423 1 1 32 . 5 1 1 A 7 7 GLY HA3 H 7 3.881 4.101 -0.220 1 1 33 . 5 1 1 A 8 8 GLY H H 8 8.215 8.672 -0.457 1 1 34 . 5 1 1 A 8 8 GLY HA2 H 8 4.577 4.042 0.535 1 1 35 . 5 1 1 A 8 8 GLY HA3 H 8 4.139 4.094 0.045 1 1 36 . 5 1 1 A 9 9 THR H H 9 8.012 7.689 0.323 1 1 37 . 5 1 1 A 9 9 THR HA H 9 4.740 4.343 0.397 1 1 42 . 5 1 1 A 10 10 CYS H H 10 8.576 8.690 -0.114 1 1 43 . 5 1 1 A 10 10 CYS HA H 10 4.685 5.124 -0.439 1 1 46 . 5 1 1 A 11 11 ASN H H 11 11.445 8.885 2.560 1 1 47 . 5 1 1 A 11 11 ASN HA H 11 4.827 4.742 0.085 1 1 52 . 5 1 1 A 12 12 THR H H 12 9.679 7.780 1.899 1 1 53 . 5 1 1 A 12 12 THR HA H 12 4.369 4.519 -0.150 1 1 57 . 5 1 1 A 13 13 PRO HA H 13 4.308 4.277 0.031 1 1 64 . 5 1 1 A 14 14 GLY H H 14 8.748 8.805 -0.057 1 1 65 . 5 1 1 A 14 14 GLY HA2 H 14 4.229 3.812 0.417 1 1 66 . 5 1 1 A 14 14 GLY HA3 H 14 3.747 3.813 -0.066 1 1 67 . 5 1 1 A 15 15 CYS H H 15 7.712 7.527 0.185 1 1 68 . 5 1 1 A 15 15 CYS HA H 15 5.331 4.696 0.635 1 1 71 . 5 1 1 A 16 16 SER H H 16 9.548 9.436 0.112 1 1 72 . 5 1 1 A 16 16 SER HA H 16 4.720 5.099 -0.379 1 1 75 . 5 1 1 A 17 17 CYS H H 17 9.028 9.034 -0.006 1 1 76 . 5 1 1 A 17 17 CYS HA H 17 4.684 4.634 0.050 1 1 79 . 5 1 1 A 18 18 THR H H 18 8.737 8.860 -0.123 1 1 80 . 5 1 1 A 18 18 THR HA H 18 4.498 4.827 -0.329 1 1 85 . 5 1 1 A 19 19 TRP H H 19 7.677 8.198 -0.521 1 1 86 . 5 1 1 A 19 19 TRP HA H 19 4.007 4.341 -0.334 1 1 95 . 5 1 1 A 20 20 PRO HA H 20 3.323 3.427 -0.104 1 1 102 . 5 1 1 A 21 21 ILE H H 21 8.646 7.517 1.129 1 1 103 . 5 1 1 A 21 21 ILE HA H 21 4.249 4.755 -0.506 1 1 113 . 5 1 1 A 22 22 CYS H H 22 7.444 9.409 -1.965 1 1 114 . 5 1 1 A 22 22 CYS HA H 22 5.082 5.128 -0.046 1 1 117 . 5 1 1 A 23 23 THR H H 23 9.953 9.224 0.729 1 1 118 . 5 1 1 A 23 23 THR HA H 23 5.065 5.106 -0.041 1 1 123 . 5 1 1 A 24 24 ARG H H 24 8.743 8.420 0.323 1 1 124 . 5 1 1 A 24 24 ARG HA H 24 4.793 4.715 0.078 1 1 132 . 5 1 1 A 25 25 ASP H H 25 9.403 9.493 -0.090 1 1 133 . 5 1 1 A 25 25 ASP HA H 25 4.376 4.409 -0.033 1 1 136 . 5 1 1 A 26 26 GLY H H 26 8.543 8.797 -0.254 1 1 137 . 5 1 1 A 26 26 GLY HA2 H 26 4.212 3.920 0.292 1 1 138 . 5 1 1 A 26 26 GLY HA3 H 26 3.616 3.921 -0.305 1 1 139 . 5 1 1 A 27 27 LEU H H 27 7.799 8.247 -0.448 1 1 140 . 5 1 1 A 27 27 LEU HA H 27 5.103 4.636 0.467 1 1 150 . 5 1 1 A 28 28 PRO HA H 28 5.096 4.625 0.471 1 1 5 . 6 1 1 A 2 2 GLY H H 2 8.645 8.168 0.477 1 1 6 . 6 1 1 A 2 2 GLY HA2 H 2 3.887 3.942 -0.055 1 1 7 . 6 1 1 A 2 2 GLY HA3 H 2 3.764 3.944 -0.180 1 1 8 . 6 1 1 A 3 3 GLU H H 3 7.071 8.074 -1.003 1 1 9 . 6 1 1 A 3 3 GLU HA H 3 4.867 4.331 0.536 1 1 14 . 6 1 1 A 4 4 THR H H 4 8.448 8.467 -0.019 1 1 15 . 6 1 1 A 4 4 THR HA H 4 4.451 4.664 -0.213 1 1 19 . 6 1 1 A 5 5 CYS H H 5 8.289 8.815 -0.526 1 1 20 . 6 1 1 A 5 5 CYS HA H 5 5.162 4.660 0.502 1 1 23 . 6 1 1 A 6 6 PHE H H 6 9.659 8.037 1.622 1 1 24 . 6 1 1 A 6 6 PHE HA H 6 4.022 3.764 0.258 1 1 30 . 6 1 1 A 7 7 GLY H H 7 9.220 7.973 1.247 1 1 31 . 6 1 1 A 7 7 GLY HA2 H 7 4.462 3.868 0.594 1 1 32 . 6 1 1 A 7 7 GLY HA3 H 7 3.881 3.957 -0.076 1 1 33 . 6 1 1 A 8 8 GLY H H 8 8.215 8.551 -0.336 1 1 34 . 6 1 1 A 8 8 GLY HA2 H 8 4.577 3.999 0.578 1 1 35 . 6 1 1 A 8 8 GLY HA3 H 8 4.139 4.060 0.079 1 1 36 . 6 1 1 A 9 9 THR H H 9 8.012 7.926 0.086 1 1 37 . 6 1 1 A 9 9 THR HA H 9 4.740 4.399 0.341 1 1 42 . 6 1 1 A 10 10 CYS H H 10 8.576 8.638 -0.062 1 1 43 . 6 1 1 A 10 10 CYS HA H 10 4.685 5.098 -0.413 1 1 46 . 6 1 1 A 11 11 ASN H H 11 11.445 9.450 1.995 1 1 47 . 6 1 1 A 11 11 ASN HA H 11 4.827 4.648 0.179 1 1 52 . 6 1 1 A 12 12 THR H H 12 9.679 7.783 1.896 1 1 53 . 6 1 1 A 12 12 THR HA H 12 4.369 4.519 -0.150 1 1 57 . 6 1 1 A 13 13 PRO HA H 13 4.308 4.277 0.031 1 1 64 . 6 1 1 A 14 14 GLY H H 14 8.748 8.841 -0.093 1 1 65 . 6 1 1 A 14 14 GLY HA2 H 14 4.229 3.819 0.410 1 1 66 . 6 1 1 A 14 14 GLY HA3 H 14 3.747 3.820 -0.073 1 1 67 . 6 1 1 A 15 15 CYS H H 15 7.712 7.506 0.206 1 1 68 . 6 1 1 A 15 15 CYS HA H 15 5.331 4.690 0.641 1 1 71 . 6 1 1 A 16 16 SER H H 16 9.548 9.442 0.106 1 1 72 . 6 1 1 A 16 16 SER HA H 16 4.720 5.081 -0.361 1 1 75 . 6 1 1 A 17 17 CYS H H 17 9.028 8.958 0.070 1 1 76 . 6 1 1 A 17 17 CYS HA H 17 4.684 4.631 0.053 1 1 79 . 6 1 1 A 18 18 THR H H 18 8.737 8.730 0.007 1 1 80 . 6 1 1 A 18 18 THR HA H 18 4.498 4.813 -0.315 1 1 85 . 6 1 1 A 19 19 TRP H H 19 7.677 8.403 -0.726 1 1 86 . 6 1 1 A 19 19 TRP HA H 19 4.007 4.425 -0.418 1 1 95 . 6 1 1 A 20 20 PRO HA H 20 3.323 3.635 -0.312 1 1 102 . 6 1 1 A 21 21 ILE H H 21 8.646 7.524 1.122 1 1 103 . 6 1 1 A 21 21 ILE HA H 21 4.249 4.723 -0.474 1 1 113 . 6 1 1 A 22 22 CYS H H 22 7.444 9.126 -1.682 1 1 114 . 6 1 1 A 22 22 CYS HA H 22 5.082 5.052 0.030 1 1 117 . 6 1 1 A 23 23 THR H H 23 9.953 9.239 0.714 1 1 118 . 6 1 1 A 23 23 THR HA H 23 5.065 5.118 -0.053 1 1 123 . 6 1 1 A 24 24 ARG H H 24 8.743 8.433 0.310 1 1 124 . 6 1 1 A 24 24 ARG HA H 24 4.793 4.717 0.076 1 1 132 . 6 1 1 A 25 25 ASP H H 25 9.403 9.491 -0.088 1 1 133 . 6 1 1 A 25 25 ASP HA H 25 4.376 4.410 -0.034 1 1 136 . 6 1 1 A 26 26 GLY H H 26 8.543 8.760 -0.217 1 1 137 . 6 1 1 A 26 26 GLY HA2 H 26 4.212 3.883 0.329 1 1 138 . 6 1 1 A 26 26 GLY HA3 H 26 3.616 3.885 -0.269 1 1 139 . 6 1 1 A 27 27 LEU H H 27 7.799 8.250 -0.451 1 1 140 . 6 1 1 A 27 27 LEU HA H 27 5.103 4.643 0.460 1 1 150 . 6 1 1 A 28 28 PRO HA H 28 5.096 4.616 0.480 1 1 5 . 7 1 1 A 2 2 GLY H H 2 8.645 8.176 0.469 1 1 6 . 7 1 1 A 2 2 GLY HA2 H 2 3.887 3.949 -0.062 1 1 7 . 7 1 1 A 2 2 GLY HA3 H 2 3.764 3.951 -0.187 1 1 8 . 7 1 1 A 3 3 GLU H H 3 7.071 8.001 -0.930 1 1 9 . 7 1 1 A 3 3 GLU HA H 3 4.867 4.331 0.536 1 1 14 . 7 1 1 A 4 4 THR H H 4 8.448 8.431 0.017 1 1 15 . 7 1 1 A 4 4 THR HA H 4 4.451 4.783 -0.332 1 1 19 . 7 1 1 A 5 5 CYS H H 5 8.289 8.898 -0.609 1 1 20 . 7 1 1 A 5 5 CYS HA H 5 5.162 4.683 0.479 1 1 23 . 7 1 1 A 6 6 PHE H H 6 9.659 8.044 1.615 1 1 24 . 7 1 1 A 6 6 PHE HA H 6 4.022 3.642 0.380 1 1 30 . 7 1 1 A 7 7 GLY H H 7 9.220 7.996 1.224 1 1 31 . 7 1 1 A 7 7 GLY HA2 H 7 4.462 4.050 0.412 1 1 32 . 7 1 1 A 7 7 GLY HA3 H 7 3.881 4.112 -0.231 1 1 33 . 7 1 1 A 8 8 GLY H H 8 8.215 8.656 -0.441 1 1 34 . 7 1 1 A 8 8 GLY HA2 H 8 4.577 4.041 0.536 1 1 35 . 7 1 1 A 8 8 GLY HA3 H 8 4.139 4.090 0.049 1 1 36 . 7 1 1 A 9 9 THR H H 9 8.012 7.709 0.303 1 1 37 . 7 1 1 A 9 9 THR HA H 9 4.740 4.344 0.396 1 1 42 . 7 1 1 A 10 10 CYS H H 10 8.576 8.655 -0.079 1 1 43 . 7 1 1 A 10 10 CYS HA H 10 4.685 5.127 -0.442 1 1 46 . 7 1 1 A 11 11 ASN H H 11 11.445 8.915 2.530 1 1 47 . 7 1 1 A 11 11 ASN HA H 11 4.827 4.747 0.080 1 1 52 . 7 1 1 A 12 12 THR H H 12 9.679 7.798 1.881 1 1 53 . 7 1 1 A 12 12 THR HA H 12 4.369 4.718 -0.349 1 1 57 . 7 1 1 A 13 13 PRO HA H 13 4.308 4.282 0.026 1 1 64 . 7 1 1 A 14 14 GLY H H 14 8.748 8.842 -0.094 1 1 65 . 7 1 1 A 14 14 GLY HA2 H 14 4.229 3.820 0.409 1 1 66 . 7 1 1 A 14 14 GLY HA3 H 14 3.747 3.821 -0.074 1 1 67 . 7 1 1 A 15 15 CYS H H 15 7.712 7.458 0.254 1 1 68 . 7 1 1 A 15 15 CYS HA H 15 5.331 4.690 0.641 1 1 71 . 7 1 1 A 16 16 SER H H 16 9.548 9.422 0.126 1 1 72 . 7 1 1 A 16 16 SER HA H 16 4.720 5.047 -0.327 1 1 75 . 7 1 1 A 17 17 CYS H H 17 9.028 8.842 0.186 1 1 76 . 7 1 1 A 17 17 CYS HA H 17 4.684 4.548 0.136 1 1 79 . 7 1 1 A 18 18 THR H H 18 8.737 8.577 0.160 1 1 80 . 7 1 1 A 18 18 THR HA H 18 4.498 4.817 -0.319 1 1 85 . 7 1 1 A 19 19 TRP H H 19 7.677 8.279 -0.602 1 1 86 . 7 1 1 A 19 19 TRP HA H 19 4.007 4.334 -0.327 1 1 95 . 7 1 1 A 20 20 PRO HA H 20 3.323 3.412 -0.089 1 1 102 . 7 1 1 A 21 21 ILE H H 21 8.646 7.518 1.128 1 1 103 . 7 1 1 A 21 21 ILE HA H 21 4.249 4.764 -0.515 1 1 113 . 7 1 1 A 22 22 CYS H H 22 7.444 9.026 -1.582 1 1 114 . 7 1 1 A 22 22 CYS HA H 22 5.082 5.058 0.024 1 1 117 . 7 1 1 A 23 23 THR H H 23 9.953 9.258 0.695 1 1 118 . 7 1 1 A 23 23 THR HA H 23 5.065 5.109 -0.044 1 1 123 . 7 1 1 A 24 24 ARG H H 24 8.743 8.495 0.248 1 1 124 . 7 1 1 A 24 24 ARG HA H 24 4.793 4.680 0.113 1 1 132 . 7 1 1 A 25 25 ASP H H 25 9.403 9.493 -0.090 1 1 133 . 7 1 1 A 25 25 ASP HA H 25 4.376 4.416 -0.040 1 1 136 . 7 1 1 A 26 26 GLY H H 26 8.543 8.713 -0.170 1 1 137 . 7 1 1 A 26 26 GLY HA2 H 26 4.212 3.874 0.338 1 1 138 . 7 1 1 A 26 26 GLY HA3 H 26 3.616 3.875 -0.259 1 1 139 . 7 1 1 A 27 27 LEU H H 27 7.799 8.118 -0.319 1 1 140 . 7 1 1 A 27 27 LEU HA H 27 5.103 4.631 0.472 1 1 150 . 7 1 1 A 28 28 PRO HA H 28 5.096 4.617 0.479 1 1 5 . 8 1 1 A 2 2 GLY H H 2 8.645 8.617 0.028 1 1 6 . 8 1 1 A 2 2 GLY HA2 H 2 3.887 3.909 -0.022 1 1 7 . 8 1 1 A 2 2 GLY HA3 H 2 3.764 3.910 -0.146 1 1 8 . 8 1 1 A 3 3 GLU H H 3 7.071 7.599 -0.528 1 1 9 . 8 1 1 A 3 3 GLU HA H 3 4.867 4.860 0.007 1 1 14 . 8 1 1 A 4 4 THR H H 4 8.448 8.490 -0.042 1 1 15 . 8 1 1 A 4 4 THR HA H 4 4.451 4.979 -0.528 1 1 19 . 8 1 1 A 5 5 CYS H H 5 8.289 8.825 -0.536 1 1 20 . 8 1 1 A 5 5 CYS HA H 5 5.162 4.682 0.480 1 1 23 . 8 1 1 A 6 6 PHE H H 6 9.659 8.049 1.610 1 1 24 . 8 1 1 A 6 6 PHE HA H 6 4.022 3.652 0.370 1 1 30 . 8 1 1 A 7 7 GLY H H 7 9.220 7.998 1.222 1 1 31 . 8 1 1 A 7 7 GLY HA2 H 7 4.462 4.051 0.411 1 1 32 . 8 1 1 A 7 7 GLY HA3 H 7 3.881 4.113 -0.232 1 1 33 . 8 1 1 A 8 8 GLY H H 8 8.215 8.656 -0.441 1 1 34 . 8 1 1 A 8 8 GLY HA2 H 8 4.577 4.041 0.536 1 1 35 . 8 1 1 A 8 8 GLY HA3 H 8 4.139 4.091 0.048 1 1 36 . 8 1 1 A 9 9 THR H H 9 8.012 7.706 0.306 1 1 37 . 8 1 1 A 9 9 THR HA H 9 4.740 4.342 0.398 1 1 42 . 8 1 1 A 10 10 CYS H H 10 8.576 8.652 -0.076 1 1 43 . 8 1 1 A 10 10 CYS HA H 10 4.685 5.290 -0.605 1 1 46 . 8 1 1 A 11 11 ASN H H 11 11.445 9.420 2.025 1 1 47 . 8 1 1 A 11 11 ASN HA H 11 4.827 4.651 0.176 1 1 52 . 8 1 1 A 12 12 THR H H 12 9.679 7.868 1.811 1 1 53 . 8 1 1 A 12 12 THR HA H 12 4.369 4.541 -0.172 1 1 57 . 8 1 1 A 13 13 PRO HA H 13 4.308 4.276 0.032 1 1 64 . 8 1 1 A 14 14 GLY H H 14 8.748 8.830 -0.082 1 1 65 . 8 1 1 A 14 14 GLY HA2 H 14 4.229 3.811 0.418 1 1 66 . 8 1 1 A 14 14 GLY HA3 H 14 3.747 3.812 -0.065 1 1 67 . 8 1 1 A 15 15 CYS H H 15 7.712 7.554 0.158 1 1 68 . 8 1 1 A 15 15 CYS HA H 15 5.331 4.690 0.641 1 1 71 . 8 1 1 A 16 16 SER H H 16 9.548 9.321 0.227 1 1 72 . 8 1 1 A 16 16 SER HA H 16 4.720 5.083 -0.363 1 1 75 . 8 1 1 A 17 17 CYS H H 17 9.028 9.021 0.007 1 1 76 . 8 1 1 A 17 17 CYS HA H 17 4.684 4.625 0.059 1 1 79 . 8 1 1 A 18 18 THR H H 18 8.737 8.725 0.012 1 1 80 . 8 1 1 A 18 18 THR HA H 18 4.498 4.807 -0.309 1 1 85 . 8 1 1 A 19 19 TRP H H 19 7.677 8.211 -0.534 1 1 86 . 8 1 1 A 19 19 TRP HA H 19 4.007 4.339 -0.332 1 1 95 . 8 1 1 A 20 20 PRO HA H 20 3.323 3.424 -0.101 1 1 102 . 8 1 1 A 21 21 ILE H H 21 8.646 7.512 1.134 1 1 103 . 8 1 1 A 21 21 ILE HA H 21 4.249 4.758 -0.509 1 1 113 . 8 1 1 A 22 22 CYS H H 22 7.444 9.161 -1.717 1 1 114 . 8 1 1 A 22 22 CYS HA H 22 5.082 5.075 0.007 1 1 117 . 8 1 1 A 23 23 THR H H 23 9.953 9.256 0.697 1 1 118 . 8 1 1 A 23 23 THR HA H 23 5.065 5.182 -0.117 1 1 123 . 8 1 1 A 24 24 ARG H H 24 8.743 8.438 0.305 1 1 124 . 8 1 1 A 24 24 ARG HA H 24 4.793 4.711 0.082 1 1 132 . 8 1 1 A 25 25 ASP H H 25 9.403 9.491 -0.088 1 1 133 . 8 1 1 A 25 25 ASP HA H 25 4.376 4.423 -0.047 1 1 136 . 8 1 1 A 26 26 GLY H H 26 8.543 8.690 -0.147 1 1 137 . 8 1 1 A 26 26 GLY HA2 H 26 4.212 3.864 0.348 1 1 138 . 8 1 1 A 26 26 GLY HA3 H 26 3.616 3.865 -0.249 1 1 139 . 8 1 1 A 27 27 LEU H H 27 7.799 8.285 -0.486 1 1 140 . 8 1 1 A 27 27 LEU HA H 27 5.103 4.561 0.542 1 1 150 . 8 1 1 A 28 28 PRO HA H 28 5.096 4.598 0.498 1 1 5 . 9 1 1 A 2 2 GLY H H 2 8.645 8.161 0.484 1 1 6 . 9 1 1 A 2 2 GLY HA2 H 2 3.887 3.934 -0.047 1 1 7 . 9 1 1 A 2 2 GLY HA3 H 2 3.764 3.937 -0.173 1 1 8 . 9 1 1 A 3 3 GLU H H 3 7.071 8.055 -0.984 1 1 9 . 9 1 1 A 3 3 GLU HA H 3 4.867 4.330 0.537 1 1 14 . 9 1 1 A 4 4 THR H H 4 8.448 8.785 -0.337 1 1 15 . 9 1 1 A 4 4 THR HA H 4 4.451 4.435 0.016 1 1 19 . 9 1 1 A 5 5 CYS H H 5 8.289 8.622 -0.333 1 1 20 . 9 1 1 A 5 5 CYS HA H 5 5.162 4.289 0.873 1 1 23 . 9 1 1 A 6 6 PHE H H 6 9.659 7.319 2.340 1 1 24 . 9 1 1 A 6 6 PHE HA H 6 4.022 3.671 0.351 1 1 30 . 9 1 1 A 7 7 GLY H H 7 9.220 7.371 1.849 1 1 31 . 9 1 1 A 7 7 GLY HA2 H 7 4.462 3.982 0.480 1 1 32 . 9 1 1 A 7 7 GLY HA3 H 7 3.881 4.158 -0.277 1 1 33 . 9 1 1 A 8 8 GLY H H 8 8.215 8.663 -0.448 1 1 34 . 9 1 1 A 8 8 GLY HA2 H 8 4.577 4.040 0.537 1 1 35 . 9 1 1 A 8 8 GLY HA3 H 8 4.139 4.052 0.087 1 1 36 . 9 1 1 A 9 9 THR H H 9 8.012 7.686 0.326 1 1 37 . 9 1 1 A 9 9 THR HA H 9 4.740 4.845 -0.105 1 1 42 . 9 1 1 A 10 10 CYS H H 10 8.576 8.831 -0.255 1 1 43 . 9 1 1 A 10 10 CYS HA H 10 4.685 5.482 -0.797 1 1 46 . 9 1 1 A 11 11 ASN H H 11 11.445 9.320 2.125 1 1 47 . 9 1 1 A 11 11 ASN HA H 11 4.827 4.684 0.143 1 1 52 . 9 1 1 A 12 12 THR H H 12 9.679 7.615 2.064 1 1 53 . 9 1 1 A 12 12 THR HA H 12 4.369 4.487 -0.118 1 1 57 . 9 1 1 A 13 13 PRO HA H 13 4.308 4.261 0.047 1 1 64 . 9 1 1 A 14 14 GLY H H 14 8.748 8.809 -0.061 1 1 65 . 9 1 1 A 14 14 GLY HA2 H 14 4.229 3.800 0.429 1 1 66 . 9 1 1 A 14 14 GLY HA3 H 14 3.747 3.801 -0.054 1 1 67 . 9 1 1 A 15 15 CYS H H 15 7.712 7.578 0.134 1 1 68 . 9 1 1 A 15 15 CYS HA H 15 5.331 4.641 0.690 1 1 71 . 9 1 1 A 16 16 SER H H 16 9.548 9.467 0.081 1 1 72 . 9 1 1 A 16 16 SER HA H 16 4.720 5.067 -0.347 1 1 75 . 9 1 1 A 17 17 CYS H H 17 9.028 8.941 0.087 1 1 76 . 9 1 1 A 17 17 CYS HA H 17 4.684 4.550 0.134 1 1 79 . 9 1 1 A 18 18 THR H H 18 8.737 8.639 0.098 1 1 80 . 9 1 1 A 18 18 THR HA H 18 4.498 4.813 -0.315 1 1 85 . 9 1 1 A 19 19 TRP H H 19 7.677 8.299 -0.622 1 1 86 . 9 1 1 A 19 19 TRP HA H 19 4.007 4.412 -0.405 1 1 95 . 9 1 1 A 20 20 PRO HA H 20 3.323 3.662 -0.339 1 1 102 . 9 1 1 A 21 21 ILE H H 21 8.646 7.623 1.023 1 1 103 . 9 1 1 A 21 21 ILE HA H 21 4.249 4.707 -0.458 1 1 113 . 9 1 1 A 22 22 CYS H H 22 7.444 9.030 -1.586 1 1 114 . 9 1 1 A 22 22 CYS HA H 22 5.082 5.018 0.064 1 1 117 . 9 1 1 A 23 23 THR H H 23 9.953 9.192 0.761 1 1 118 . 9 1 1 A 23 23 THR HA H 23 5.065 5.104 -0.039 1 1 123 . 9 1 1 A 24 24 ARG H H 24 8.743 8.482 0.261 1 1 124 . 9 1 1 A 24 24 ARG HA H 24 4.793 4.749 0.044 1 1 132 . 9 1 1 A 25 25 ASP H H 25 9.403 9.487 -0.084 1 1 133 . 9 1 1 A 25 25 ASP HA H 25 4.376 4.409 -0.033 1 1 136 . 9 1 1 A 26 26 GLY H H 26 8.543 8.676 -0.133 1 1 137 . 9 1 1 A 26 26 GLY HA2 H 26 4.212 3.859 0.353 1 1 138 . 9 1 1 A 26 26 GLY HA3 H 26 3.616 3.860 -0.244 1 1 139 . 9 1 1 A 27 27 LEU H H 27 7.799 8.139 -0.340 1 1 140 . 9 1 1 A 27 27 LEU HA H 27 5.103 4.566 0.537 1 1 150 . 9 1 1 A 28 28 PRO HA H 28 5.096 4.594 0.502 1 1 5 . 10 1 1 A 2 2 GLY H H 2 8.645 8.169 0.476 1 1 6 . 10 1 1 A 2 2 GLY HA2 H 2 3.887 3.934 -0.047 1 1 7 . 10 1 1 A 2 2 GLY HA3 H 2 3.764 3.936 -0.172 1 1 8 . 10 1 1 A 3 3 GLU H H 3 7.071 8.099 -1.028 1 1 9 . 10 1 1 A 3 3 GLU HA H 3 4.867 4.331 0.536 1 1 14 . 10 1 1 A 4 4 THR H H 4 8.448 8.687 -0.239 1 1 15 . 10 1 1 A 4 4 THR HA H 4 4.451 4.351 0.100 1 1 19 . 10 1 1 A 5 5 CYS H H 5 8.289 8.742 -0.453 1 1 20 . 10 1 1 A 5 5 CYS HA H 5 5.162 4.745 0.417 1 1 23 . 10 1 1 A 6 6 PHE H H 6 9.659 7.958 1.701 1 1 24 . 10 1 1 A 6 6 PHE HA H 6 4.022 3.794 0.228 1 1 30 . 10 1 1 A 7 7 GLY H H 7 9.220 7.977 1.243 1 1 31 . 10 1 1 A 7 7 GLY HA2 H 7 4.462 3.850 0.612 1 1 32 . 10 1 1 A 7 7 GLY HA3 H 7 3.881 3.947 -0.066 1 1 33 . 10 1 1 A 8 8 GLY H H 8 8.215 8.356 -0.141 1 1 34 . 10 1 1 A 8 8 GLY HA2 H 8 4.577 4.015 0.562 1 1 35 . 10 1 1 A 8 8 GLY HA3 H 8 4.139 4.056 0.083 1 1 36 . 10 1 1 A 9 9 THR H H 9 8.012 7.830 0.182 1 1 37 . 10 1 1 A 9 9 THR HA H 9 4.740 4.872 -0.132 1 1 42 . 10 1 1 A 10 10 CYS H H 10 8.576 8.923 -0.347 1 1 43 . 10 1 1 A 10 10 CYS HA H 10 4.685 5.177 -0.492 1 1 46 . 10 1 1 A 11 11 ASN H H 11 11.445 8.952 2.493 1 1 47 . 10 1 1 A 11 11 ASN HA H 11 4.827 4.787 0.040 1 1 52 . 10 1 1 A 12 12 THR H H 12 9.679 7.567 2.112 1 1 53 . 10 1 1 A 12 12 THR HA H 12 4.369 4.500 -0.131 1 1 57 . 10 1 1 A 13 13 PRO HA H 13 4.308 4.273 0.035 1 1 64 . 10 1 1 A 14 14 GLY H H 14 8.748 8.796 -0.048 1 1 65 . 10 1 1 A 14 14 GLY HA2 H 14 4.229 3.816 0.413 1 1 66 . 10 1 1 A 14 14 GLY HA3 H 14 3.747 3.817 -0.070 1 1 67 . 10 1 1 A 15 15 CYS H H 15 7.712 7.556 0.156 1 1 68 . 10 1 1 A 15 15 CYS HA H 15 5.331 4.659 0.672 1 1 71 . 10 1 1 A 16 16 SER H H 16 9.548 9.457 0.091 1 1 72 . 10 1 1 A 16 16 SER HA H 16 4.720 4.977 -0.257 1 1 75 . 10 1 1 A 17 17 CYS H H 17 9.028 8.917 0.111 1 1 76 . 10 1 1 A 17 17 CYS HA H 17 4.684 4.591 0.093 1 1 79 . 10 1 1 A 18 18 THR H H 18 8.737 8.637 0.100 1 1 80 . 10 1 1 A 18 18 THR HA H 18 4.498 4.819 -0.321 1 1 85 . 10 1 1 A 19 19 TRP H H 19 7.677 8.176 -0.499 1 1 86 . 10 1 1 A 19 19 TRP HA H 19 4.007 4.422 -0.415 1 1 95 . 10 1 1 A 20 20 PRO HA H 20 3.323 3.684 -0.361 1 1 102 . 10 1 1 A 21 21 ILE H H 21 8.646 7.606 1.040 1 1 103 . 10 1 1 A 21 21 ILE HA H 21 4.249 4.730 -0.481 1 1 113 . 10 1 1 A 22 22 CYS H H 22 7.444 9.027 -1.583 1 1 114 . 10 1 1 A 22 22 CYS HA H 22 5.082 5.067 0.015 1 1 117 . 10 1 1 A 23 23 THR H H 23 9.953 9.235 0.718 1 1 118 . 10 1 1 A 23 23 THR HA H 23 5.065 5.103 -0.038 1 1 123 . 10 1 1 A 24 24 ARG H H 24 8.743 8.511 0.232 1 1 124 . 10 1 1 A 24 24 ARG HA H 24 4.793 4.861 -0.068 1 1 132 . 10 1 1 A 25 25 ASP H H 25 9.403 8.995 0.408 1 1 133 . 10 1 1 A 25 25 ASP HA H 25 4.376 4.420 -0.044 1 1 136 . 10 1 1 A 26 26 GLY H H 26 8.543 8.662 -0.119 1 1 137 . 10 1 1 A 26 26 GLY HA2 H 26 4.212 3.853 0.359 1 1 138 . 10 1 1 A 26 26 GLY HA3 H 26 3.616 3.855 -0.239 1 1 139 . 10 1 1 A 27 27 LEU H H 27 7.799 8.221 -0.422 1 1 140 . 10 1 1 A 27 27 LEU HA H 27 5.103 4.591 0.512 1 1 150 . 10 1 1 A 28 28 PRO HA H 28 5.096 4.600 0.496 1 1 5 . 11 1 1 A 2 2 GLY H H 2 8.645 8.629 0.016 1 1 6 . 11 1 1 A 2 2 GLY HA2 H 2 3.887 3.933 -0.046 1 1 7 . 11 1 1 A 2 2 GLY HA3 H 2 3.764 3.933 -0.169 1 1 8 . 11 1 1 A 3 3 GLU H H 3 7.071 7.606 -0.535 1 1 9 . 11 1 1 A 3 3 GLU HA H 3 4.867 4.876 -0.009 1 1 14 . 11 1 1 A 4 4 THR H H 4 8.448 8.520 -0.072 1 1 15 . 11 1 1 A 4 4 THR HA H 4 4.451 5.043 -0.592 1 1 19 . 11 1 1 A 5 5 CYS H H 5 8.289 8.826 -0.537 1 1 20 . 11 1 1 A 5 5 CYS HA H 5 5.162 4.681 0.481 1 1 23 . 11 1 1 A 6 6 PHE H H 6 9.659 8.034 1.625 1 1 24 . 11 1 1 A 6 6 PHE HA H 6 4.022 3.625 0.397 1 1 30 . 11 1 1 A 7 7 GLY H H 7 9.220 7.993 1.227 1 1 31 . 11 1 1 A 7 7 GLY HA2 H 7 4.462 4.038 0.424 1 1 32 . 11 1 1 A 7 7 GLY HA3 H 7 3.881 4.100 -0.219 1 1 33 . 11 1 1 A 8 8 GLY H H 8 8.215 8.649 -0.434 1 1 34 . 11 1 1 A 8 8 GLY HA2 H 8 4.577 4.041 0.536 1 1 35 . 11 1 1 A 8 8 GLY HA3 H 8 4.139 4.091 0.048 1 1 36 . 11 1 1 A 9 9 THR H H 9 8.012 7.699 0.313 1 1 37 . 11 1 1 A 9 9 THR HA H 9 4.740 4.297 0.443 1 1 42 . 11 1 1 A 10 10 CYS H H 10 8.576 8.661 -0.085 1 1 43 . 11 1 1 A 10 10 CYS HA H 10 4.685 5.062 -0.377 1 1 46 . 11 1 1 A 11 11 ASN H H 11 11.445 8.881 2.564 1 1 47 . 11 1 1 A 11 11 ASN HA H 11 4.827 4.757 0.070 1 1 52 . 11 1 1 A 12 12 THR H H 12 9.679 7.867 1.812 1 1 53 . 11 1 1 A 12 12 THR HA H 12 4.369 4.718 -0.349 1 1 57 . 11 1 1 A 13 13 PRO HA H 13 4.308 4.282 0.026 1 1 64 . 11 1 1 A 14 14 GLY H H 14 8.748 8.846 -0.098 1 1 65 . 11 1 1 A 14 14 GLY HA2 H 14 4.229 3.819 0.410 1 1 66 . 11 1 1 A 14 14 GLY HA3 H 14 3.747 3.821 -0.074 1 1 67 . 11 1 1 A 15 15 CYS H H 15 7.712 7.438 0.274 1 1 68 . 11 1 1 A 15 15 CYS HA H 15 5.331 4.718 0.613 1 1 71 . 11 1 1 A 16 16 SER H H 16 9.548 9.416 0.132 1 1 72 . 11 1 1 A 16 16 SER HA H 16 4.720 5.030 -0.310 1 1 75 . 11 1 1 A 17 17 CYS H H 17 9.028 8.844 0.184 1 1 76 . 11 1 1 A 17 17 CYS HA H 17 4.684 4.542 0.142 1 1 79 . 11 1 1 A 18 18 THR H H 18 8.737 8.684 0.053 1 1 80 . 11 1 1 A 18 18 THR HA H 18 4.498 4.790 -0.292 1 1 85 . 11 1 1 A 19 19 TRP H H 19 7.677 8.278 -0.601 1 1 86 . 11 1 1 A 19 19 TRP HA H 19 4.007 4.330 -0.323 1 1 95 . 11 1 1 A 20 20 PRO HA H 20 3.323 3.412 -0.089 1 1 102 . 11 1 1 A 21 21 ILE H H 21 8.646 7.546 1.100 1 1 103 . 11 1 1 A 21 21 ILE HA H 21 4.249 4.759 -0.510 1 1 113 . 11 1 1 A 22 22 CYS H H 22 7.444 9.100 -1.656 1 1 114 . 11 1 1 A 22 22 CYS HA H 22 5.082 5.053 0.029 1 1 117 . 11 1 1 A 23 23 THR H H 23 9.953 9.243 0.710 1 1 118 . 11 1 1 A 23 23 THR HA H 23 5.065 5.136 -0.071 1 1 123 . 11 1 1 A 24 24 ARG H H 24 8.743 8.505 0.238 1 1 124 . 11 1 1 A 24 24 ARG HA H 24 4.793 4.630 0.163 1 1 132 . 11 1 1 A 25 25 ASP H H 25 9.403 9.492 -0.089 1 1 133 . 11 1 1 A 25 25 ASP HA H 25 4.376 4.420 -0.044 1 1 136 . 11 1 1 A 26 26 GLY H H 26 8.543 8.713 -0.170 1 1 137 . 11 1 1 A 26 26 GLY HA2 H 26 4.212 3.870 0.342 1 1 138 . 11 1 1 A 26 26 GLY HA3 H 26 3.616 3.871 -0.255 1 1 139 . 11 1 1 A 27 27 LEU H H 27 7.799 8.119 -0.320 1 1 140 . 11 1 1 A 27 27 LEU HA H 27 5.103 4.625 0.478 1 1 150 . 11 1 1 A 28 28 PRO HA H 28 5.096 4.616 0.480 1 1 5 . 12 1 1 A 2 2 GLY H H 2 8.645 8.254 0.391 1 1 6 . 12 1 1 A 2 2 GLY HA2 H 2 3.887 3.895 -0.008 1 1 7 . 12 1 1 A 2 2 GLY HA3 H 2 3.764 3.897 -0.133 1 1 8 . 12 1 1 A 3 3 GLU H H 3 7.071 7.843 -0.772 1 1 9 . 12 1 1 A 3 3 GLU HA H 3 4.867 4.900 -0.033 1 1 14 . 12 1 1 A 4 4 THR H H 4 8.448 8.514 -0.066 1 1 15 . 12 1 1 A 4 4 THR HA H 4 4.451 5.066 -0.615 1 1 19 . 12 1 1 A 5 5 CYS H H 5 8.289 8.748 -0.459 1 1 20 . 12 1 1 A 5 5 CYS HA H 5 5.162 4.662 0.500 1 1 23 . 12 1 1 A 6 6 PHE H H 6 9.659 7.977 1.682 1 1 24 . 12 1 1 A 6 6 PHE HA H 6 4.022 3.736 0.286 1 1 30 . 12 1 1 A 7 7 GLY H H 7 9.220 7.954 1.266 1 1 31 . 12 1 1 A 7 7 GLY HA2 H 7 4.462 3.859 0.603 1 1 32 . 12 1 1 A 7 7 GLY HA3 H 7 3.881 3.946 -0.065 1 1 33 . 12 1 1 A 8 8 GLY H H 8 8.215 8.564 -0.349 1 1 34 . 12 1 1 A 8 8 GLY HA2 H 8 4.577 4.003 0.574 1 1 35 . 12 1 1 A 8 8 GLY HA3 H 8 4.139 4.074 0.065 1 1 36 . 12 1 1 A 9 9 THR H H 9 8.012 7.671 0.341 1 1 37 . 12 1 1 A 9 9 THR HA H 9 4.740 4.264 0.476 1 1 42 . 12 1 1 A 10 10 CYS H H 10 8.576 8.657 -0.081 1 1 43 . 12 1 1 A 10 10 CYS HA H 10 4.685 4.929 -0.244 1 1 46 . 12 1 1 A 11 11 ASN H H 11 11.445 9.562 1.883 1 1 47 . 12 1 1 A 11 11 ASN HA H 11 4.827 4.643 0.184 1 1 52 . 12 1 1 A 12 12 THR H H 12 9.679 8.016 1.663 1 1 53 . 12 1 1 A 12 12 THR HA H 12 4.369 4.550 -0.181 1 1 57 . 12 1 1 A 13 13 PRO HA H 13 4.308 4.275 0.033 1 1 64 . 12 1 1 A 14 14 GLY H H 14 8.748 8.939 -0.191 1 1 65 . 12 1 1 A 14 14 GLY HA2 H 14 4.229 3.853 0.376 1 1 66 . 12 1 1 A 14 14 GLY HA3 H 14 3.747 3.854 -0.107 1 1 67 . 12 1 1 A 15 15 CYS H H 15 7.712 7.382 0.330 1 1 68 . 12 1 1 A 15 15 CYS HA H 15 5.331 4.644 0.687 1 1 71 . 12 1 1 A 16 16 SER H H 16 9.548 8.818 0.730 1 1 72 . 12 1 1 A 16 16 SER HA H 16 4.720 4.718 0.002 1 1 75 . 12 1 1 A 17 17 CYS H H 17 9.028 8.787 0.241 1 1 76 . 12 1 1 A 17 17 CYS HA H 17 4.684 4.513 0.171 1 1 79 . 12 1 1 A 18 18 THR H H 18 8.737 8.880 -0.143 1 1 80 . 12 1 1 A 18 18 THR HA H 18 4.498 4.854 -0.356 1 1 85 . 12 1 1 A 19 19 TRP H H 19 7.677 8.309 -0.632 1 1 86 . 12 1 1 A 19 19 TRP HA H 19 4.007 4.426 -0.419 1 1 95 . 12 1 1 A 20 20 PRO HA H 20 3.323 3.721 -0.398 1 1 102 . 12 1 1 A 21 21 ILE H H 21 8.646 7.695 0.951 1 1 103 . 12 1 1 A 21 21 ILE HA H 21 4.249 4.849 -0.600 1 1 113 . 12 1 1 A 22 22 CYS H H 22 7.444 9.015 -1.571 1 1 114 . 12 1 1 A 22 22 CYS HA H 22 5.082 5.332 -0.250 1 1 117 . 12 1 1 A 23 23 THR H H 23 9.953 9.134 0.819 1 1 118 . 12 1 1 A 23 23 THR HA H 23 5.065 5.055 0.010 1 1 123 . 12 1 1 A 24 24 ARG H H 24 8.743 8.491 0.252 1 1 124 . 12 1 1 A 24 24 ARG HA H 24 4.793 4.660 0.133 1 1 132 . 12 1 1 A 25 25 ASP H H 25 9.403 9.492 -0.089 1 1 133 . 12 1 1 A 25 25 ASP HA H 25 4.376 4.418 -0.042 1 1 136 . 12 1 1 A 26 26 GLY H H 26 8.543 8.482 0.061 1 1 137 . 12 1 1 A 26 26 GLY HA2 H 26 4.212 3.838 0.374 1 1 138 . 12 1 1 A 26 26 GLY HA3 H 26 3.616 3.840 -0.224 1 1 139 . 12 1 1 A 27 27 LEU H H 27 7.799 8.215 -0.416 1 1 140 . 12 1 1 A 27 27 LEU HA H 27 5.103 4.565 0.538 1 1 150 . 12 1 1 A 28 28 PRO HA H 28 5.096 4.624 0.472 1 1 5 . 13 1 1 A 2 2 GLY H H 2 8.645 8.163 0.482 1 1 6 . 13 1 1 A 2 2 GLY HA2 H 2 3.887 3.936 -0.049 1 1 7 . 13 1 1 A 2 2 GLY HA3 H 2 3.764 3.937 -0.173 1 1 8 . 13 1 1 A 3 3 GLU H H 3 7.071 8.024 -0.953 1 1 9 . 13 1 1 A 3 3 GLU HA H 3 4.867 4.329 0.538 1 1 14 . 13 1 1 A 4 4 THR H H 4 8.448 8.464 -0.016 1 1 15 . 13 1 1 A 4 4 THR HA H 4 4.451 4.947 -0.496 1 1 19 . 13 1 1 A 5 5 CYS H H 5 8.289 8.730 -0.441 1 1 20 . 13 1 1 A 5 5 CYS HA H 5 5.162 4.692 0.470 1 1 23 . 13 1 1 A 6 6 PHE H H 6 9.659 7.970 1.689 1 1 24 . 13 1 1 A 6 6 PHE HA H 6 4.022 3.693 0.329 1 1 30 . 13 1 1 A 7 7 GLY H H 7 9.220 7.942 1.278 1 1 31 . 13 1 1 A 7 7 GLY HA2 H 7 4.462 3.867 0.595 1 1 32 . 13 1 1 A 7 7 GLY HA3 H 7 3.881 3.960 -0.079 1 1 33 . 13 1 1 A 8 8 GLY H H 8 8.215 8.491 -0.276 1 1 34 . 13 1 1 A 8 8 GLY HA2 H 8 4.577 4.019 0.558 1 1 35 . 13 1 1 A 8 8 GLY HA3 H 8 4.139 4.056 0.083 1 1 36 . 13 1 1 A 9 9 THR H H 9 8.012 7.779 0.233 1 1 37 . 13 1 1 A 9 9 THR HA H 9 4.740 4.884 -0.144 1 1 42 . 13 1 1 A 10 10 CYS H H 10 8.576 8.886 -0.310 1 1 43 . 13 1 1 A 10 10 CYS HA H 10 4.685 5.204 -0.519 1 1 46 . 13 1 1 A 11 11 ASN H H 11 11.445 8.850 2.595 1 1 47 . 13 1 1 A 11 11 ASN HA H 11 4.827 4.752 0.075 1 1 52 . 13 1 1 A 12 12 THR H H 12 9.679 7.828 1.851 1 1 53 . 13 1 1 A 12 12 THR HA H 12 4.369 4.536 -0.167 1 1 57 . 13 1 1 A 13 13 PRO HA H 13 4.308 4.276 0.032 1 1 64 . 13 1 1 A 14 14 GLY H H 14 8.748 8.910 -0.162 1 1 65 . 13 1 1 A 14 14 GLY HA2 H 14 4.229 3.820 0.409 1 1 66 . 13 1 1 A 14 14 GLY HA3 H 14 3.747 3.821 -0.074 1 1 67 . 13 1 1 A 15 15 CYS H H 15 7.712 7.433 0.279 1 1 68 . 13 1 1 A 15 15 CYS HA H 15 5.331 4.639 0.692 1 1 71 . 13 1 1 A 16 16 SER H H 16 9.548 9.225 0.323 1 1 72 . 13 1 1 A 16 16 SER HA H 16 4.720 4.853 -0.133 1 1 75 . 13 1 1 A 17 17 CYS H H 17 9.028 8.788 0.240 1 1 76 . 13 1 1 A 17 17 CYS HA H 17 4.684 4.513 0.171 1 1 79 . 13 1 1 A 18 18 THR H H 18 8.737 8.864 -0.127 1 1 80 . 13 1 1 A 18 18 THR HA H 18 4.498 4.839 -0.341 1 1 85 . 13 1 1 A 19 19 TRP H H 19 7.677 8.401 -0.724 1 1 86 . 13 1 1 A 19 19 TRP HA H 19 4.007 4.433 -0.426 1 1 95 . 13 1 1 A 20 20 PRO HA H 20 3.323 3.707 -0.384 1 1 102 . 13 1 1 A 21 21 ILE H H 21 8.646 7.640 1.006 1 1 103 . 13 1 1 A 21 21 ILE HA H 21 4.249 4.726 -0.477 1 1 113 . 13 1 1 A 22 22 CYS H H 22 7.444 8.766 -1.322 1 1 114 . 13 1 1 A 22 22 CYS HA H 22 5.082 5.271 -0.189 1 1 117 . 13 1 1 A 23 23 THR H H 23 9.953 9.100 0.853 1 1 118 . 13 1 1 A 23 23 THR HA H 23 5.065 5.107 -0.042 1 1 123 . 13 1 1 A 24 24 ARG H H 24 8.743 8.695 0.048 1 1 124 . 13 1 1 A 24 24 ARG HA H 24 4.793 4.694 0.099 1 1 132 . 13 1 1 A 25 25 ASP H H 25 9.403 9.494 -0.091 1 1 133 . 13 1 1 A 25 25 ASP HA H 25 4.376 4.412 -0.036 1 1 136 . 13 1 1 A 26 26 GLY H H 26 8.543 8.461 0.082 1 1 137 . 13 1 1 A 26 26 GLY HA2 H 26 4.212 3.828 0.384 1 1 138 . 13 1 1 A 26 26 GLY HA3 H 26 3.616 3.830 -0.214 1 1 139 . 13 1 1 A 27 27 LEU H H 27 7.799 8.178 -0.379 1 1 140 . 13 1 1 A 27 27 LEU HA H 27 5.103 4.564 0.539 1 1 150 . 13 1 1 A 28 28 PRO HA H 28 5.096 4.623 0.473 1 1 5 . 14 1 1 A 2 2 GLY H H 2 8.645 8.168 0.477 1 1 6 . 14 1 1 A 2 2 GLY HA2 H 2 3.887 3.942 -0.055 1 1 7 . 14 1 1 A 2 2 GLY HA3 H 2 3.764 3.944 -0.180 1 1 8 . 14 1 1 A 3 3 GLU H H 3 7.071 8.047 -0.976 1 1 9 . 14 1 1 A 3 3 GLU HA H 3 4.867 4.341 0.526 1 1 14 . 14 1 1 A 4 4 THR H H 4 8.448 8.382 0.066 1 1 15 . 14 1 1 A 4 4 THR HA H 4 4.451 4.748 -0.297 1 1 19 . 14 1 1 A 5 5 CYS H H 5 8.289 8.803 -0.514 1 1 20 . 14 1 1 A 5 5 CYS HA H 5 5.162 4.653 0.509 1 1 23 . 14 1 1 A 6 6 PHE H H 6 9.659 7.972 1.687 1 1 24 . 14 1 1 A 6 6 PHE HA H 6 4.022 3.751 0.271 1 1 30 . 14 1 1 A 7 7 GLY H H 7 9.220 7.944 1.276 1 1 31 . 14 1 1 A 7 7 GLY HA2 H 7 4.462 3.860 0.602 1 1 32 . 14 1 1 A 7 7 GLY HA3 H 7 3.881 3.950 -0.069 1 1 33 . 14 1 1 A 8 8 GLY H H 8 8.215 8.572 -0.357 1 1 34 . 14 1 1 A 8 8 GLY HA2 H 8 4.577 4.000 0.577 1 1 35 . 14 1 1 A 8 8 GLY HA3 H 8 4.139 4.081 0.058 1 1 36 . 14 1 1 A 9 9 THR H H 9 8.012 7.911 0.101 1 1 37 . 14 1 1 A 9 9 THR HA H 9 4.740 4.526 0.214 1 1 42 . 14 1 1 A 10 10 CYS H H 10 8.576 8.737 -0.161 1 1 43 . 14 1 1 A 10 10 CYS HA H 10 4.685 5.259 -0.574 1 1 46 . 14 1 1 A 11 11 ASN H H 11 11.445 9.481 1.964 1 1 47 . 14 1 1 A 11 11 ASN HA H 11 4.827 4.654 0.173 1 1 52 . 14 1 1 A 12 12 THR H H 12 9.679 7.861 1.818 1 1 53 . 14 1 1 A 12 12 THR HA H 12 4.369 4.518 -0.149 1 1 57 . 14 1 1 A 13 13 PRO HA H 13 4.308 4.276 0.032 1 1 64 . 14 1 1 A 14 14 GLY H H 14 8.748 8.840 -0.092 1 1 65 . 14 1 1 A 14 14 GLY HA2 H 14 4.229 3.815 0.414 1 1 66 . 14 1 1 A 14 14 GLY HA3 H 14 3.747 3.816 -0.069 1 1 67 . 14 1 1 A 15 15 CYS H H 15 7.712 7.579 0.133 1 1 68 . 14 1 1 A 15 15 CYS HA H 15 5.331 4.661 0.670 1 1 71 . 14 1 1 A 16 16 SER H H 16 9.548 9.502 0.046 1 1 72 . 14 1 1 A 16 16 SER HA H 16 4.720 5.046 -0.326 1 1 75 . 14 1 1 A 17 17 CYS H H 17 9.028 8.887 0.141 1 1 76 . 14 1 1 A 17 17 CYS HA H 17 4.684 4.576 0.108 1 1 79 . 14 1 1 A 18 18 THR H H 18 8.737 8.655 0.082 1 1 80 . 14 1 1 A 18 18 THR HA H 18 4.498 4.867 -0.369 1 1 85 . 14 1 1 A 19 19 TRP H H 19 7.677 8.087 -0.410 1 1 86 . 14 1 1 A 19 19 TRP HA H 19 4.007 4.426 -0.419 1 1 95 . 14 1 1 A 20 20 PRO HA H 20 3.323 3.665 -0.342 1 1 102 . 14 1 1 A 21 21 ILE H H 21 8.646 7.514 1.132 1 1 103 . 14 1 1 A 21 21 ILE HA H 21 4.249 4.728 -0.479 1 1 113 . 14 1 1 A 22 22 CYS H H 22 7.444 9.046 -1.602 1 1 114 . 14 1 1 A 22 22 CYS HA H 22 5.082 5.143 -0.061 1 1 117 . 14 1 1 A 23 23 THR H H 23 9.953 9.240 0.713 1 1 118 . 14 1 1 A 23 23 THR HA H 23 5.065 5.123 -0.058 1 1 123 . 14 1 1 A 24 24 ARG H H 24 8.743 8.490 0.253 1 1 124 . 14 1 1 A 24 24 ARG HA H 24 4.793 4.746 0.047 1 1 132 . 14 1 1 A 25 25 ASP H H 25 9.403 9.494 -0.091 1 1 133 . 14 1 1 A 25 25 ASP HA H 25 4.376 4.417 -0.041 1 1 136 . 14 1 1 A 26 26 GLY H H 26 8.543 8.718 -0.175 1 1 137 . 14 1 1 A 26 26 GLY HA2 H 26 4.212 3.883 0.329 1 1 138 . 14 1 1 A 26 26 GLY HA3 H 26 3.616 3.885 -0.269 1 1 139 . 14 1 1 A 27 27 LEU H H 27 7.799 8.152 -0.353 1 1 140 . 14 1 1 A 27 27 LEU HA H 27 5.103 4.630 0.473 1 1 150 . 14 1 1 A 28 28 PRO HA H 28 5.096 4.599 0.497 1 1 5 . 15 1 1 A 2 2 GLY H H 2 8.645 8.165 0.480 1 1 6 . 15 1 1 A 2 2 GLY HA2 H 2 3.887 3.935 -0.048 1 1 7 . 15 1 1 A 2 2 GLY HA3 H 2 3.764 3.937 -0.173 1 1 8 . 15 1 1 A 3 3 GLU H H 3 7.071 8.045 -0.974 1 1 9 . 15 1 1 A 3 3 GLU HA H 3 4.867 4.332 0.535 1 1 14 . 15 1 1 A 4 4 THR H H 4 8.448 8.469 -0.021 1 1 15 . 15 1 1 A 4 4 THR HA H 4 4.451 4.673 -0.222 1 1 19 . 15 1 1 A 5 5 CYS H H 5 8.289 8.841 -0.552 1 1 20 . 15 1 1 A 5 5 CYS HA H 5 5.162 4.655 0.507 1 1 23 . 15 1 1 A 6 6 PHE H H 6 9.659 8.027 1.632 1 1 24 . 15 1 1 A 6 6 PHE HA H 6 4.022 3.720 0.302 1 1 30 . 15 1 1 A 7 7 GLY H H 7 9.220 7.958 1.262 1 1 31 . 15 1 1 A 7 7 GLY HA2 H 7 4.462 3.868 0.594 1 1 32 . 15 1 1 A 7 7 GLY HA3 H 7 3.881 3.956 -0.075 1 1 33 . 15 1 1 A 8 8 GLY H H 8 8.215 8.588 -0.373 1 1 34 . 15 1 1 A 8 8 GLY HA2 H 8 4.577 4.002 0.575 1 1 35 . 15 1 1 A 8 8 GLY HA3 H 8 4.139 4.071 0.068 1 1 36 . 15 1 1 A 9 9 THR H H 9 8.012 7.649 0.363 1 1 37 . 15 1 1 A 9 9 THR HA H 9 4.740 4.285 0.455 1 1 42 . 15 1 1 A 10 10 CYS H H 10 8.576 8.655 -0.079 1 1 43 . 15 1 1 A 10 10 CYS HA H 10 4.685 5.167 -0.482 1 1 46 . 15 1 1 A 11 11 ASN H H 11 11.445 9.511 1.934 1 1 47 . 15 1 1 A 11 11 ASN HA H 11 4.827 4.646 0.181 1 1 52 . 15 1 1 A 12 12 THR H H 12 9.679 7.833 1.846 1 1 53 . 15 1 1 A 12 12 THR HA H 12 4.369 4.537 -0.168 1 1 57 . 15 1 1 A 13 13 PRO HA H 13 4.308 4.281 0.027 1 1 64 . 15 1 1 A 14 14 GLY H H 14 8.748 8.908 -0.160 1 1 65 . 15 1 1 A 14 14 GLY HA2 H 14 4.229 3.827 0.402 1 1 66 . 15 1 1 A 14 14 GLY HA3 H 14 3.747 3.828 -0.081 1 1 67 . 15 1 1 A 15 15 CYS H H 15 7.712 7.407 0.305 1 1 68 . 15 1 1 A 15 15 CYS HA H 15 5.331 4.714 0.617 1 1 71 . 15 1 1 A 16 16 SER H H 16 9.548 9.255 0.293 1 1 72 . 15 1 1 A 16 16 SER HA H 16 4.720 5.028 -0.308 1 1 75 . 15 1 1 A 17 17 CYS H H 17 9.028 8.913 0.115 1 1 76 . 15 1 1 A 17 17 CYS HA H 17 4.684 4.551 0.133 1 1 79 . 15 1 1 A 18 18 THR H H 18 8.737 8.850 -0.113 1 1 80 . 15 1 1 A 18 18 THR HA H 18 4.498 4.835 -0.337 1 1 85 . 15 1 1 A 19 19 TRP H H 19 7.677 8.307 -0.630 1 1 86 . 15 1 1 A 19 19 TRP HA H 19 4.007 4.434 -0.427 1 1 95 . 15 1 1 A 20 20 PRO HA H 20 3.323 3.653 -0.330 1 1 102 . 15 1 1 A 21 21 ILE H H 21 8.646 7.595 1.051 1 1 103 . 15 1 1 A 21 21 ILE HA H 21 4.249 4.727 -0.478 1 1 113 . 15 1 1 A 22 22 CYS H H 22 7.444 9.123 -1.679 1 1 114 . 15 1 1 A 22 22 CYS HA H 22 5.082 5.130 -0.048 1 1 117 . 15 1 1 A 23 23 THR H H 23 9.953 9.167 0.786 1 1 118 . 15 1 1 A 23 23 THR HA H 23 5.065 5.110 -0.045 1 1 123 . 15 1 1 A 24 24 ARG H H 24 8.743 8.446 0.297 1 1 124 . 15 1 1 A 24 24 ARG HA H 24 4.793 4.610 0.183 1 1 132 . 15 1 1 A 25 25 ASP H H 25 9.403 9.493 -0.090 1 1 133 . 15 1 1 A 25 25 ASP HA H 25 4.376 4.427 -0.051 1 1 136 . 15 1 1 A 26 26 GLY H H 26 8.543 8.701 -0.158 1 1 137 . 15 1 1 A 26 26 GLY HA2 H 26 4.212 3.871 0.341 1 1 138 . 15 1 1 A 26 26 GLY HA3 H 26 3.616 3.872 -0.256 1 1 139 . 15 1 1 A 27 27 LEU H H 27 7.799 8.259 -0.460 1 1 140 . 15 1 1 A 27 27 LEU HA H 27 5.103 4.589 0.514 1 1 150 . 15 1 1 A 28 28 PRO HA H 28 5.096 4.627 0.469 1 1 5 . 16 1 1 A 2 2 GLY H H 2 8.645 8.173 0.472 1 1 6 . 16 1 1 A 2 2 GLY HA2 H 2 3.887 3.947 -0.060 1 1 7 . 16 1 1 A 2 2 GLY HA3 H 2 3.764 3.949 -0.185 1 1 8 . 16 1 1 A 3 3 GLU H H 3 7.071 8.088 -1.017 1 1 9 . 16 1 1 A 3 3 GLU HA H 3 4.867 4.328 0.539 1 1 14 . 16 1 1 A 4 4 THR H H 4 8.448 8.468 -0.020 1 1 15 . 16 1 1 A 4 4 THR HA H 4 4.451 4.881 -0.430 1 1 19 . 16 1 1 A 5 5 CYS H H 5 8.289 8.847 -0.558 1 1 20 . 16 1 1 A 5 5 CYS HA H 5 5.162 4.678 0.484 1 1 23 . 16 1 1 A 6 6 PHE H H 6 9.659 8.041 1.618 1 1 24 . 16 1 1 A 6 6 PHE HA H 6 4.022 3.675 0.347 1 1 30 . 16 1 1 A 7 7 GLY H H 7 9.220 8.000 1.220 1 1 31 . 16 1 1 A 7 7 GLY HA2 H 7 4.462 4.032 0.430 1 1 32 . 16 1 1 A 7 7 GLY HA3 H 7 3.881 4.092 -0.211 1 1 33 . 16 1 1 A 8 8 GLY H H 8 8.215 8.656 -0.441 1 1 34 . 16 1 1 A 8 8 GLY HA2 H 8 4.577 4.041 0.536 1 1 35 . 16 1 1 A 8 8 GLY HA3 H 8 4.139 4.102 0.037 1 1 36 . 16 1 1 A 9 9 THR H H 9 8.012 7.929 0.083 1 1 37 . 16 1 1 A 9 9 THR HA H 9 4.740 4.531 0.209 1 1 42 . 16 1 1 A 10 10 CYS H H 10 8.576 8.824 -0.248 1 1 43 . 16 1 1 A 10 10 CYS HA H 10 4.685 5.113 -0.428 1 1 46 . 16 1 1 A 11 11 ASN H H 11 11.445 8.906 2.539 1 1 47 . 16 1 1 A 11 11 ASN HA H 11 4.827 4.759 0.068 1 1 52 . 16 1 1 A 12 12 THR H H 12 9.679 7.753 1.926 1 1 53 . 16 1 1 A 12 12 THR HA H 12 4.369 4.502 -0.133 1 1 57 . 16 1 1 A 13 13 PRO HA H 13 4.308 4.276 0.032 1 1 64 . 16 1 1 A 14 14 GLY H H 14 8.748 8.830 -0.082 1 1 65 . 16 1 1 A 14 14 GLY HA2 H 14 4.229 3.816 0.413 1 1 66 . 16 1 1 A 14 14 GLY HA3 H 14 3.747 3.817 -0.070 1 1 67 . 16 1 1 A 15 15 CYS H H 15 7.712 7.605 0.107 1 1 68 . 16 1 1 A 15 15 CYS HA H 15 5.331 4.672 0.659 1 1 71 . 16 1 1 A 16 16 SER H H 16 9.548 9.439 0.109 1 1 72 . 16 1 1 A 16 16 SER HA H 16 4.720 5.012 -0.292 1 1 75 . 16 1 1 A 17 17 CYS H H 17 9.028 8.844 0.184 1 1 76 . 16 1 1 A 17 17 CYS HA H 17 4.684 4.558 0.126 1 1 79 . 16 1 1 A 18 18 THR H H 18 8.737 8.572 0.165 1 1 80 . 16 1 1 A 18 18 THR HA H 18 4.498 4.855 -0.357 1 1 85 . 16 1 1 A 19 19 TRP H H 19 7.677 8.142 -0.465 1 1 86 . 16 1 1 A 19 19 TRP HA H 19 4.007 4.353 -0.346 1 1 95 . 16 1 1 A 20 20 PRO HA H 20 3.323 3.449 -0.126 1 1 102 . 16 1 1 A 21 21 ILE H H 21 8.646 7.479 1.167 1 1 103 . 16 1 1 A 21 21 ILE HA H 21 4.249 4.762 -0.513 1 1 113 . 16 1 1 A 22 22 CYS H H 22 7.444 9.051 -1.607 1 1 114 . 16 1 1 A 22 22 CYS HA H 22 5.082 5.122 -0.040 1 1 117 . 16 1 1 A 23 23 THR H H 23 9.953 9.251 0.702 1 1 118 . 16 1 1 A 23 23 THR HA H 23 5.065 5.166 -0.101 1 1 123 . 16 1 1 A 24 24 ARG H H 24 8.743 8.459 0.284 1 1 124 . 16 1 1 A 24 24 ARG HA H 24 4.793 4.845 -0.052 1 1 132 . 16 1 1 A 25 25 ASP H H 25 9.403 9.492 -0.089 1 1 133 . 16 1 1 A 25 25 ASP HA H 25 4.376 4.414 -0.038 1 1 136 . 16 1 1 A 26 26 GLY H H 26 8.543 8.520 0.023 1 1 137 . 16 1 1 A 26 26 GLY HA2 H 26 4.212 3.838 0.374 1 1 138 . 16 1 1 A 26 26 GLY HA3 H 26 3.616 3.840 -0.224 1 1 139 . 16 1 1 A 27 27 LEU H H 27 7.799 8.230 -0.431 1 1 140 . 16 1 1 A 27 27 LEU HA H 27 5.103 4.526 0.577 1 1 150 . 16 1 1 A 28 28 PRO HA H 28 5.096 4.572 0.524 1 1 5 . 17 1 1 A 2 2 GLY H H 2 8.645 8.170 0.475 1 1 6 . 17 1 1 A 2 2 GLY HA2 H 2 3.887 3.934 -0.047 1 1 7 . 17 1 1 A 2 2 GLY HA3 H 2 3.764 3.937 -0.173 1 1 8 . 17 1 1 A 3 3 GLU H H 3 7.071 8.109 -1.038 1 1 9 . 17 1 1 A 3 3 GLU HA H 3 4.867 4.336 0.531 1 1 14 . 17 1 1 A 4 4 THR H H 4 8.448 8.711 -0.263 1 1 15 . 17 1 1 A 4 4 THR HA H 4 4.451 4.391 0.060 1 1 19 . 17 1 1 A 5 5 CYS H H 5 8.289 8.767 -0.478 1 1 20 . 17 1 1 A 5 5 CYS HA H 5 5.162 4.720 0.442 1 1 23 . 17 1 1 A 6 6 PHE H H 6 9.659 7.968 1.691 1 1 24 . 17 1 1 A 6 6 PHE HA H 6 4.022 3.792 0.230 1 1 30 . 17 1 1 A 7 7 GLY H H 7 9.220 7.981 1.239 1 1 31 . 17 1 1 A 7 7 GLY HA2 H 7 4.462 3.871 0.591 1 1 32 . 17 1 1 A 7 7 GLY HA3 H 7 3.881 3.968 -0.087 1 1 33 . 17 1 1 A 8 8 GLY H H 8 8.215 8.333 -0.118 1 1 34 . 17 1 1 A 8 8 GLY HA2 H 8 4.577 4.008 0.569 1 1 35 . 17 1 1 A 8 8 GLY HA3 H 8 4.139 4.047 0.092 1 1 36 . 17 1 1 A 9 9 THR H H 9 8.012 7.816 0.196 1 1 37 . 17 1 1 A 9 9 THR HA H 9 4.740 4.873 -0.133 1 1 42 . 17 1 1 A 10 10 CYS H H 10 8.576 8.950 -0.374 1 1 43 . 17 1 1 A 10 10 CYS HA H 10 4.685 5.542 -0.857 1 1 46 . 17 1 1 A 11 11 ASN H H 11 11.445 9.385 2.060 1 1 47 . 17 1 1 A 11 11 ASN HA H 11 4.827 4.735 0.092 1 1 52 . 17 1 1 A 12 12 THR H H 12 9.679 7.551 2.128 1 1 53 . 17 1 1 A 12 12 THR HA H 12 4.369 4.499 -0.130 1 1 57 . 17 1 1 A 13 13 PRO HA H 13 4.308 4.274 0.034 1 1 64 . 17 1 1 A 14 14 GLY H H 14 8.748 8.819 -0.071 1 1 65 . 17 1 1 A 14 14 GLY HA2 H 14 4.229 3.811 0.418 1 1 66 . 17 1 1 A 14 14 GLY HA3 H 14 3.747 3.812 -0.065 1 1 67 . 17 1 1 A 15 15 CYS H H 15 7.712 7.559 0.153 1 1 68 . 17 1 1 A 15 15 CYS HA H 15 5.331 4.655 0.676 1 1 71 . 17 1 1 A 16 16 SER H H 16 9.548 9.423 0.125 1 1 72 . 17 1 1 A 16 16 SER HA H 16 4.720 5.079 -0.359 1 1 75 . 17 1 1 A 17 17 CYS H H 17 9.028 9.028 0.000 1 1 76 . 17 1 1 A 17 17 CYS HA H 17 4.684 4.628 0.056 1 1 79 . 17 1 1 A 18 18 THR H H 18 8.737 8.697 0.040 1 1 80 . 17 1 1 A 18 18 THR HA H 18 4.498 4.805 -0.307 1 1 85 . 17 1 1 A 19 19 TRP H H 19 7.677 8.348 -0.671 1 1 86 . 17 1 1 A 19 19 TRP HA H 19 4.007 4.425 -0.418 1 1 95 . 17 1 1 A 20 20 PRO HA H 20 3.323 3.655 -0.332 1 1 102 . 17 1 1 A 21 21 ILE H H 21 8.646 7.595 1.051 1 1 103 . 17 1 1 A 21 21 ILE HA H 21 4.249 4.726 -0.477 1 1 113 . 17 1 1 A 22 22 CYS H H 22 7.444 9.023 -1.579 1 1 114 . 17 1 1 A 22 22 CYS HA H 22 5.082 5.051 0.031 1 1 117 . 17 1 1 A 23 23 THR H H 23 9.953 9.248 0.705 1 1 118 . 17 1 1 A 23 23 THR HA H 23 5.065 5.134 -0.069 1 1 123 . 17 1 1 A 24 24 ARG H H 24 8.743 8.514 0.229 1 1 124 . 17 1 1 A 24 24 ARG HA H 24 4.793 4.889 -0.096 1 1 132 . 17 1 1 A 25 25 ASP H H 25 9.403 9.038 0.365 1 1 133 . 17 1 1 A 25 25 ASP HA H 25 4.376 4.399 -0.023 1 1 136 . 17 1 1 A 26 26 GLY H H 26 8.543 8.721 -0.178 1 1 137 . 17 1 1 A 26 26 GLY HA2 H 26 4.212 3.906 0.306 1 1 138 . 17 1 1 A 26 26 GLY HA3 H 26 3.616 3.908 -0.292 1 1 139 . 17 1 1 A 27 27 LEU H H 27 7.799 8.270 -0.471 1 1 140 . 17 1 1 A 27 27 LEU HA H 27 5.103 4.639 0.464 1 1 150 . 17 1 1 A 28 28 PRO HA H 28 5.096 4.616 0.480 1 1 5 . 18 1 1 A 2 2 GLY H H 2 8.645 8.357 0.288 1 1 6 . 18 1 1 A 2 2 GLY HA2 H 2 3.887 3.883 0.004 1 1 7 . 18 1 1 A 2 2 GLY HA3 H 2 3.764 3.886 -0.122 1 1 8 . 18 1 1 A 3 3 GLU H H 3 7.071 7.782 -0.711 1 1 9 . 18 1 1 A 3 3 GLU HA H 3 4.867 4.864 0.003 1 1 14 . 18 1 1 A 4 4 THR H H 4 8.448 8.650 -0.202 1 1 15 . 18 1 1 A 4 4 THR HA H 4 4.451 4.790 -0.339 1 1 19 . 18 1 1 A 5 5 CYS H H 5 8.289 8.841 -0.552 1 1 20 . 18 1 1 A 5 5 CYS HA H 5 5.162 4.659 0.503 1 1 23 . 18 1 1 A 6 6 PHE H H 6 9.659 8.038 1.621 1 1 24 . 18 1 1 A 6 6 PHE HA H 6 4.022 3.899 0.123 1 1 30 . 18 1 1 A 7 7 GLY H H 7 9.220 8.008 1.212 1 1 31 . 18 1 1 A 7 7 GLY HA2 H 7 4.462 3.956 0.506 1 1 32 . 18 1 1 A 7 7 GLY HA3 H 7 3.881 4.002 -0.121 1 1 33 . 18 1 1 A 8 8 GLY H H 8 8.215 8.643 -0.428 1 1 34 . 18 1 1 A 8 8 GLY HA2 H 8 4.577 4.021 0.556 1 1 35 . 18 1 1 A 8 8 GLY HA3 H 8 4.139 4.106 0.033 1 1 36 . 18 1 1 A 9 9 THR H H 9 8.012 7.610 0.402 1 1 37 . 18 1 1 A 9 9 THR HA H 9 4.740 4.271 0.469 1 1 42 . 18 1 1 A 10 10 CYS H H 10 8.576 8.704 -0.128 1 1 43 . 18 1 1 A 10 10 CYS HA H 10 4.685 4.920 -0.235 1 1 46 . 18 1 1 A 11 11 ASN H H 11 11.445 9.531 1.914 1 1 47 . 18 1 1 A 11 11 ASN HA H 11 4.827 4.638 0.189 1 1 52 . 18 1 1 A 12 12 THR H H 12 9.679 7.927 1.752 1 1 53 . 18 1 1 A 12 12 THR HA H 12 4.369 4.539 -0.170 1 1 57 . 18 1 1 A 13 13 PRO HA H 13 4.308 4.278 0.030 1 1 64 . 18 1 1 A 14 14 GLY H H 14 8.748 8.913 -0.165 1 1 65 . 18 1 1 A 14 14 GLY HA2 H 14 4.229 3.820 0.409 1 1 66 . 18 1 1 A 14 14 GLY HA3 H 14 3.747 3.821 -0.074 1 1 67 . 18 1 1 A 15 15 CYS H H 15 7.712 7.444 0.268 1 1 68 . 18 1 1 A 15 15 CYS HA H 15 5.331 4.643 0.688 1 1 71 . 18 1 1 A 16 16 SER H H 16 9.548 9.124 0.424 1 1 72 . 18 1 1 A 16 16 SER HA H 16 4.720 4.804 -0.084 1 1 75 . 18 1 1 A 17 17 CYS H H 17 9.028 8.896 0.132 1 1 76 . 18 1 1 A 17 17 CYS HA H 17 4.684 4.637 0.047 1 1 79 . 18 1 1 A 18 18 THR H H 18 8.737 8.892 -0.155 1 1 80 . 18 1 1 A 18 18 THR HA H 18 4.498 4.796 -0.298 1 1 85 . 18 1 1 A 19 19 TRP H H 19 7.677 8.199 -0.522 1 1 86 . 18 1 1 A 19 19 TRP HA H 19 4.007 4.428 -0.421 1 1 95 . 18 1 1 A 20 20 PRO HA H 20 3.323 3.707 -0.384 1 1 102 . 18 1 1 A 21 21 ILE H H 21 8.646 7.697 0.949 1 1 103 . 18 1 1 A 21 21 ILE HA H 21 4.249 4.860 -0.611 1 1 113 . 18 1 1 A 22 22 CYS H H 22 7.444 9.097 -1.653 1 1 114 . 18 1 1 A 22 22 CYS HA H 22 5.082 5.405 -0.323 1 1 117 . 18 1 1 A 23 23 THR H H 23 9.953 9.255 0.698 1 1 118 . 18 1 1 A 23 23 THR HA H 23 5.065 5.011 0.054 1 1 123 . 18 1 1 A 24 24 ARG H H 24 8.743 8.511 0.232 1 1 124 . 18 1 1 A 24 24 ARG HA H 24 4.793 4.691 0.102 1 1 132 . 18 1 1 A 25 25 ASP H H 25 9.403 9.488 -0.085 1 1 133 . 18 1 1 A 25 25 ASP HA H 25 4.376 4.418 -0.042 1 1 136 . 18 1 1 A 26 26 GLY H H 26 8.543 8.738 -0.195 1 1 137 . 18 1 1 A 26 26 GLY HA2 H 26 4.212 3.867 0.345 1 1 138 . 18 1 1 A 26 26 GLY HA3 H 26 3.616 3.868 -0.252 1 1 139 . 18 1 1 A 27 27 LEU H H 27 7.799 8.291 -0.492 1 1 140 . 18 1 1 A 27 27 LEU HA H 27 5.103 4.610 0.493 1 1 150 . 18 1 1 A 28 28 PRO HA H 28 5.096 4.636 0.460 1 1 5 . 19 1 1 A 2 2 GLY H H 2 8.645 8.347 0.298 1 1 6 . 19 1 1 A 2 2 GLY HA2 H 2 3.887 3.883 0.004 1 1 7 . 19 1 1 A 2 2 GLY HA3 H 2 3.764 3.886 -0.122 1 1 8 . 19 1 1 A 3 3 GLU H H 3 7.071 7.765 -0.694 1 1 9 . 19 1 1 A 3 3 GLU HA H 3 4.867 4.909 -0.042 1 1 14 . 19 1 1 A 4 4 THR H H 4 8.448 8.841 -0.393 1 1 15 . 19 1 1 A 4 4 THR HA H 4 4.451 4.491 -0.040 1 1 19 . 19 1 1 A 5 5 CYS H H 5 8.289 8.675 -0.386 1 1 20 . 19 1 1 A 5 5 CYS HA H 5 5.162 4.709 0.453 1 1 23 . 19 1 1 A 6 6 PHE H H 6 9.659 7.939 1.720 1 1 24 . 19 1 1 A 6 6 PHE HA H 6 4.022 3.715 0.307 1 1 30 . 19 1 1 A 7 7 GLY H H 7 9.220 7.961 1.259 1 1 31 . 19 1 1 A 7 7 GLY HA2 H 7 4.462 3.870 0.592 1 1 32 . 19 1 1 A 7 7 GLY HA3 H 7 3.881 3.965 -0.084 1 1 33 . 19 1 1 A 8 8 GLY H H 8 8.215 8.214 0.001 1 1 34 . 19 1 1 A 8 8 GLY HA2 H 8 4.577 4.019 0.558 1 1 35 . 19 1 1 A 8 8 GLY HA3 H 8 4.139 4.056 0.083 1 1 36 . 19 1 1 A 9 9 THR H H 9 8.012 7.816 0.196 1 1 37 . 19 1 1 A 9 9 THR HA H 9 4.740 4.861 -0.121 1 1 42 . 19 1 1 A 10 10 CYS H H 10 8.576 8.904 -0.328 1 1 43 . 19 1 1 A 10 10 CYS HA H 10 4.685 5.517 -0.832 1 1 46 . 19 1 1 A 11 11 ASN H H 11 11.445 9.394 2.051 1 1 47 . 19 1 1 A 11 11 ASN HA H 11 4.827 4.730 0.097 1 1 52 . 19 1 1 A 12 12 THR H H 12 9.679 7.597 2.082 1 1 53 . 19 1 1 A 12 12 THR HA H 12 4.369 4.503 -0.134 1 1 57 . 19 1 1 A 13 13 PRO HA H 13 4.308 4.273 0.035 1 1 64 . 19 1 1 A 14 14 GLY H H 14 8.748 8.807 -0.059 1 1 65 . 19 1 1 A 14 14 GLY HA2 H 14 4.229 3.811 0.418 1 1 66 . 19 1 1 A 14 14 GLY HA3 H 14 3.747 3.812 -0.065 1 1 67 . 19 1 1 A 15 15 CYS H H 15 7.712 7.554 0.158 1 1 68 . 19 1 1 A 15 15 CYS HA H 15 5.331 4.677 0.654 1 1 71 . 19 1 1 A 16 16 SER H H 16 9.548 9.356 0.192 1 1 72 . 19 1 1 A 16 16 SER HA H 16 4.720 5.109 -0.389 1 1 75 . 19 1 1 A 17 17 CYS H H 17 9.028 9.018 0.010 1 1 76 . 19 1 1 A 17 17 CYS HA H 17 4.684 4.575 0.109 1 1 79 . 19 1 1 A 18 18 THR H H 18 8.737 8.824 -0.087 1 1 80 . 19 1 1 A 18 18 THR HA H 18 4.498 4.833 -0.335 1 1 85 . 19 1 1 A 19 19 TRP H H 19 7.677 8.254 -0.577 1 1 86 . 19 1 1 A 19 19 TRP HA H 19 4.007 4.433 -0.426 1 1 95 . 19 1 1 A 20 20 PRO HA H 20 3.323 3.650 -0.327 1 1 102 . 19 1 1 A 21 21 ILE H H 21 8.646 7.647 0.999 1 1 103 . 19 1 1 A 21 21 ILE HA H 21 4.249 4.724 -0.475 1 1 113 . 19 1 1 A 22 22 CYS H H 22 7.444 9.391 -1.947 1 1 114 . 19 1 1 A 22 22 CYS HA H 22 5.082 5.082 0.000 1 1 117 . 19 1 1 A 23 23 THR H H 23 9.953 9.206 0.747 1 1 118 . 19 1 1 A 23 23 THR HA H 23 5.065 5.032 0.033 1 1 123 . 19 1 1 A 24 24 ARG H H 24 8.743 8.415 0.328 1 1 124 . 19 1 1 A 24 24 ARG HA H 24 4.793 4.717 0.076 1 1 132 . 19 1 1 A 25 25 ASP H H 25 9.403 9.492 -0.089 1 1 133 . 19 1 1 A 25 25 ASP HA H 25 4.376 4.408 -0.032 1 1 136 . 19 1 1 A 26 26 GLY H H 26 8.543 8.755 -0.212 1 1 137 . 19 1 1 A 26 26 GLY HA2 H 26 4.212 3.905 0.307 1 1 138 . 19 1 1 A 26 26 GLY HA3 H 26 3.616 3.907 -0.291 1 1 139 . 19 1 1 A 27 27 LEU H H 27 7.799 8.299 -0.500 1 1 140 . 19 1 1 A 27 27 LEU HA H 27 5.103 4.644 0.459 1 1 150 . 19 1 1 A 28 28 PRO HA H 28 5.096 4.618 0.478 1 1 5 . 20 1 1 A 2 2 GLY H H 2 8.645 8.194 0.451 1 1 6 . 20 1 1 A 2 2 GLY HA2 H 2 3.887 3.899 -0.012 1 1 7 . 20 1 1 A 2 2 GLY HA3 H 2 3.764 3.901 -0.137 1 1 8 . 20 1 1 A 3 3 GLU H H 3 7.071 8.000 -0.929 1 1 9 . 20 1 1 A 3 3 GLU HA H 3 4.867 4.722 0.145 1 1 14 . 20 1 1 A 4 4 THR H H 4 8.448 8.606 -0.158 1 1 15 . 20 1 1 A 4 4 THR HA H 4 4.451 4.496 -0.045 1 1 19 . 20 1 1 A 5 5 CYS H H 5 8.289 8.675 -0.386 1 1 20 . 20 1 1 A 5 5 CYS HA H 5 5.162 4.680 0.482 1 1 23 . 20 1 1 A 6 6 PHE H H 6 9.659 8.004 1.655 1 1 24 . 20 1 1 A 6 6 PHE HA H 6 4.022 3.753 0.269 1 1 30 . 20 1 1 A 7 7 GLY H H 7 9.220 7.991 1.229 1 1 31 . 20 1 1 A 7 7 GLY HA2 H 7 4.462 3.842 0.620 1 1 32 . 20 1 1 A 7 7 GLY HA3 H 7 3.881 3.944 -0.063 1 1 33 . 20 1 1 A 8 8 GLY H H 8 8.215 8.683 -0.468 1 1 34 . 20 1 1 A 8 8 GLY HA2 H 8 4.577 4.036 0.541 1 1 35 . 20 1 1 A 8 8 GLY HA3 H 8 4.139 4.090 0.049 1 1 36 . 20 1 1 A 9 9 THR H H 9 8.012 7.797 0.215 1 1 37 . 20 1 1 A 9 9 THR HA H 9 4.740 4.886 -0.146 1 1 42 . 20 1 1 A 10 10 CYS H H 10 8.576 8.929 -0.353 1 1 43 . 20 1 1 A 10 10 CYS HA H 10 4.685 5.412 -0.727 1 1 46 . 20 1 1 A 11 11 ASN H H 11 11.445 9.511 1.934 1 1 47 . 20 1 1 A 11 11 ASN HA H 11 4.827 4.655 0.172 1 1 52 . 20 1 1 A 12 12 THR H H 12 9.679 7.736 1.943 1 1 53 . 20 1 1 A 12 12 THR HA H 12 4.369 4.537 -0.168 1 1 57 . 20 1 1 A 13 13 PRO HA H 13 4.308 4.277 0.031 1 1 64 . 20 1 1 A 14 14 GLY H H 14 8.748 8.891 -0.143 1 1 65 . 20 1 1 A 14 14 GLY HA2 H 14 4.229 3.817 0.412 1 1 66 . 20 1 1 A 14 14 GLY HA3 H 14 3.747 3.818 -0.071 1 1 67 . 20 1 1 A 15 15 CYS H H 15 7.712 7.504 0.208 1 1 68 . 20 1 1 A 15 15 CYS HA H 15 5.331 4.710 0.621 1 1 71 . 20 1 1 A 16 16 SER H H 16 9.548 9.307 0.241 1 1 72 . 20 1 1 A 16 16 SER HA H 16 4.720 5.098 -0.378 1 1 75 . 20 1 1 A 17 17 CYS H H 17 9.028 8.904 0.124 1 1 76 . 20 1 1 A 17 17 CYS HA H 17 4.684 4.529 0.155 1 1 79 . 20 1 1 A 18 18 THR H H 18 8.737 8.831 -0.094 1 1 80 . 20 1 1 A 18 18 THR HA H 18 4.498 4.796 -0.298 1 1 85 . 20 1 1 A 19 19 TRP H H 19 7.677 8.254 -0.577 1 1 86 . 20 1 1 A 19 19 TRP HA H 19 4.007 4.433 -0.426 1 1 95 . 20 1 1 A 20 20 PRO HA H 20 3.323 3.642 -0.319 1 1 102 . 20 1 1 A 21 21 ILE H H 21 8.646 7.636 1.010 1 1 103 . 20 1 1 A 21 21 ILE HA H 21 4.249 4.721 -0.472 1 1 113 . 20 1 1 A 22 22 CYS H H 22 7.444 9.459 -2.015 1 1 114 . 20 1 1 A 22 22 CYS HA H 22 5.082 5.119 -0.037 1 1 117 . 20 1 1 A 23 23 THR H H 23 9.953 9.174 0.779 1 1 118 . 20 1 1 A 23 23 THR HA H 23 5.065 5.048 0.017 1 1 123 . 20 1 1 A 24 24 ARG H H 24 8.743 8.436 0.307 1 1 124 . 20 1 1 A 24 24 ARG HA H 24 4.793 4.683 0.110 1 1 132 . 20 1 1 A 25 25 ASP H H 25 9.403 9.492 -0.089 1 1 133 . 20 1 1 A 25 25 ASP HA H 25 4.376 4.415 -0.039 1 1 136 . 20 1 1 A 26 26 GLY H H 26 8.543 8.744 -0.201 1 1 137 . 20 1 1 A 26 26 GLY HA2 H 26 4.212 3.875 0.337 1 1 138 . 20 1 1 A 26 26 GLY HA3 H 26 3.616 3.876 -0.260 1 1 139 . 20 1 1 A 27 27 LEU H H 27 7.799 8.311 -0.512 1 1 140 . 20 1 1 A 27 27 LEU HA H 27 5.103 4.609 0.494 1 1 150 . 20 1 1 A 28 28 PRO HA H 28 5.096 4.631 0.465 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1 2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1 3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1 4 1 1 1 "RMS(OBS, PRED)" H 24 0.846 1 5 1 1 1 "RMS(OBS, PRED)" HA 32 0.359 1 6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1 7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1 8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1 9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1 10 1 2 1 "RMS(OBS, PRED)" H 24 0.922 1 11 1 2 1 "RMS(OBS, PRED)" HA 32 0.351 1 12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1 13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1 14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1 15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1 16 1 3 1 "RMS(OBS, PRED)" H 24 0.895 1 17 1 3 1 "RMS(OBS, PRED)" HA 32 0.359 1 18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1 19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1 20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1 21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1 22 1 4 1 "RMS(OBS, PRED)" H 24 0.943 1 23 1 4 1 "RMS(OBS, PRED)" HA 32 0.350 1 24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1 25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1 26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1 27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1 28 1 5 1 "RMS(OBS, PRED)" H 24 0.972 1 29 1 5 1 "RMS(OBS, PRED)" HA 32 0.327 1 30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1 31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1 32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1 33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1 34 1 6 1 "RMS(OBS, PRED)" H 24 0.908 1 35 1 6 1 "RMS(OBS, PRED)" HA 32 0.337 1 36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1 37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1 38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1 39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1 40 1 7 1 "RMS(OBS, PRED)" H 24 0.950 1 41 1 7 1 "RMS(OBS, PRED)" HA 32 0.337 1 42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1 43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1 44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1 45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1 46 1 8 1 "RMS(OBS, PRED)" H 24 0.879 1 47 1 8 1 "RMS(OBS, PRED)" HA 32 0.341 1 48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1 49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1 50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1 51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1 52 1 9 1 "RMS(OBS, PRED)" H 24 1.027 1 53 1 9 1 "RMS(OBS, PRED)" HA 32 0.377 1 54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1 55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1 56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1 57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1 58 1 10 1 "RMS(OBS, PRED)" H 24 0.970 1 59 1 10 1 "RMS(OBS, PRED)" HA 32 0.332 1 60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1 61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1 62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1 63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1 64 1 11 1 "RMS(OBS, PRED)" H 24 0.933 1 65 1 11 1 "RMS(OBS, PRED)" HA 32 0.333 1 66 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1 67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1 68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1 69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1 70 1 12 1 "RMS(OBS, PRED)" H 24 0.870 1 71 1 12 1 "RMS(OBS, PRED)" HA 32 0.354 1 72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1 73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1 74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1 75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1 76 1 13 1 "RMS(OBS, PRED)" H 24 0.948 1 77 1 13 1 "RMS(OBS, PRED)" HA 32 0.354 1 78 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1 79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1 80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1 81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1 82 1 14 1 "RMS(OBS, PRED)" H 24 0.886 1 83 1 14 1 "RMS(OBS, PRED)" HA 32 0.348 1 84 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1 85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1 86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1 87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1 88 1 15 1 "RMS(OBS, PRED)" H 24 0.901 1 89 1 15 1 "RMS(OBS, PRED)" HA 32 0.348 1 90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1 91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1 92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1 93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1 94 1 16 1 "RMS(OBS, PRED)" H 24 0.958 1 95 1 16 1 "RMS(OBS, PRED)" HA 32 0.339 1 96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1 97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1 98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1 99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1 100 1 17 1 "RMS(OBS, PRED)" H 24 0.932 1 101 1 17 1 "RMS(OBS, PRED)" HA 32 0.355 1 102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1 103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1 104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1 105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1 106 1 18 1 "RMS(OBS, PRED)" H 24 0.864 1 107 1 18 1 "RMS(OBS, PRED)" HA 32 0.330 1 108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1 109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1 110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1 111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1 112 1 19 1 "RMS(OBS, PRED)" H 24 0.939 1 113 1 19 1 "RMS(OBS, PRED)" HA 32 0.341 1 114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1 115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1 116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1 117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1 118 1 20 1 "RMS(OBS, PRED)" H 24 0.932 1 119 1 20 1 "RMS(OBS, PRED)" HA 32 0.334 1 120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1 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.Conformer_type "average" _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.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_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.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 5 . 1 1 A 2 2 GLY H H 2 8.645 8.254 0.391 2 1 6 . 1 1 A 2 2 GLY HA2 H 2 3.887 3.926 -0.039 2 1 7 . 1 1 A 2 2 GLY HA3 H 2 3.764 3.928 -0.164 2 1 8 . 1 1 A 3 3 GLU H H 3 7.071 7.957 -0.886 2 1 9 . 1 1 A 3 3 GLU HA H 3 4.867 4.518 0.349 2 1 14 . 1 1 A 4 4 THR H H 4 8.448 8.562 -0.114 2 1 15 . 1 1 A 4 4 THR HA H 4 4.451 4.731 -0.280 2 1 19 . 1 1 A 5 5 CYS H H 5 8.289 8.788 -0.499 2 1 20 . 1 1 A 5 5 CYS HA H 5 5.162 4.661 0.501 2 1 23 . 1 1 A 6 6 PHE H H 6 9.659 7.980 1.679 2 1 24 . 1 1 A 6 6 PHE HA H 6 4.022 3.724 0.298 2 1 30 . 1 1 A 7 7 GLY H H 7 9.220 7.951 1.269 2 1 31 . 1 1 A 7 7 GLY HA2 H 7 4.462 3.936 0.526 2 1 32 . 1 1 A 7 7 GLY HA3 H 7 3.881 4.020 -0.139 2 1 33 . 1 1 A 8 8 GLY H H 8 8.215 8.571 -0.356 2 1 34 . 1 1 A 8 8 GLY HA2 H 8 4.577 4.023 0.554 2 1 35 . 1 1 A 8 8 GLY HA3 H 8 4.139 4.074 0.065 2 1 36 . 1 1 A 9 9 THR H H 9 8.012 7.761 0.251 2 1 37 . 1 1 A 9 9 THR HA H 9 4.740 4.562 0.178 2 1 42 . 1 1 A 10 10 CYS H H 10 8.576 8.770 -0.194 2 1 43 . 1 1 A 10 10 CYS HA H 10 4.685 5.244 -0.559 2 1 46 . 1 1 A 11 11 ASN H H 11 11.445 9.284 2.161 2 1 47 . 1 1 A 11 11 ASN HA H 11 4.827 4.699 0.128 2 1 52 . 1 1 A 12 12 THR H H 12 9.679 7.781 1.898 2 1 53 . 1 1 A 12 12 THR HA H 12 4.369 4.539 -0.170 2 1 57 . 1 1 A 13 13 PRO HA H 13 4.308 4.276 0.032 2 1 64 . 1 1 A 14 14 GLY H H 14 8.748 8.848 -0.100 2 1 65 . 1 1 A 14 14 GLY HA2 H 14 4.229 3.817 0.412 2 1 66 . 1 1 A 14 14 GLY HA3 H 14 3.747 3.818 -0.071 2 1 67 . 1 1 A 15 15 CYS H H 15 7.712 7.516 0.196 2 1 68 . 1 1 A 15 15 CYS HA H 15 5.331 4.671 0.660 2 1 71 . 1 1 A 16 16 SER H H 16 9.548 9.358 0.190 2 1 72 . 1 1 A 16 16 SER HA H 16 4.720 5.008 -0.288 2 1 75 . 1 1 A 17 17 CYS H H 17 9.028 8.906 0.122 2 1 76 . 1 1 A 17 17 CYS HA H 17 4.684 4.573 0.111 2 1 79 . 1 1 A 18 18 THR H H 18 8.737 8.716 0.021 2 1 80 . 1 1 A 18 18 THR HA H 18 4.498 4.831 -0.333 2 1 85 . 1 1 A 19 19 TRP H H 19 7.677 8.275 -0.598 2 1 86 . 1 1 A 19 19 TRP HA H 19 4.007 4.394 -0.387 2 1 95 . 1 1 A 20 20 PRO HA H 20 3.323 3.582 -0.259 2 1 102 . 1 1 A 21 21 ILE H H 21 8.646 7.570 1.076 2 1 103 . 1 1 A 21 21 ILE HA H 21 4.249 4.748 -0.499 2 1 113 . 1 1 A 22 22 CYS H H 22 7.444 9.106 -1.662 2 1 114 . 1 1 A 22 22 CYS HA H 22 5.082 5.136 -0.054 2 1 117 . 1 1 A 23 23 THR H H 23 9.953 9.231 0.722 2 1 118 . 1 1 A 23 23 THR HA H 23 5.065 5.118 -0.053 2 1 123 . 1 1 A 24 24 ARG H H 24 8.743 8.488 0.255 2 1 124 . 1 1 A 24 24 ARG HA H 24 4.793 4.735 0.058 2 1 132 . 1 1 A 25 25 ASP H H 25 9.403 9.419 -0.016 2 1 133 . 1 1 A 25 25 ASP HA H 25 4.376 4.414 -0.038 2 1 136 . 1 1 A 26 26 GLY H H 26 8.543 8.677 -0.134 2 1 137 . 1 1 A 26 26 GLY HA2 H 26 4.212 3.870 0.342 2 1 138 . 1 1 A 26 26 GLY HA3 H 26 3.616 3.871 -0.255 2 1 139 . 1 1 A 27 27 LEU H H 27 7.799 8.217 -0.418 2 1 140 . 1 1 A 27 27 LEU HA H 27 5.103 4.600 0.503 2 1 150 . 1 1 A 28 28 PRO HA H 28 5.096 4.611 0.485 2 stop_ save_