data_19212 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19212 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 19212 _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 LYS N N 2 121.151 121.151 124.400 -3.249 19212 2 1 1 . 1 1 2 2 LYS H H 2 8.253 8.253 8.543 -0.290 19212 3 1 1 . 1 1 3 3 GLU N N 3 121.214 121.214 118.215 2.999 19212 4 1 1 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.449 -0.127 19212 5 1 1 . 1 1 3 3 GLU H H 3 8.581 8.581 8.305 0.276 19212 6 1 1 . 1 1 4 4 CYS N N 4 119.597 119.597 120.125 -0.528 19212 7 1 1 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.570 0.405 19212 8 1 1 . 1 1 4 4 CYS H H 4 8.028 8.028 7.853 0.175 19212 9 1 1 . 1 1 5 5 ASP N N 5 119.597 119.597 125.433 -5.836 19212 10 1 1 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.907 -0.090 19212 11 1 1 . 1 1 5 5 ASP H H 5 8.690 8.690 9.190 -0.500 19212 12 1 1 . 1 1 6 6 CYS N N 6 112.573 112.573 115.541 -2.968 19212 13 1 1 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.820 0.111 19212 14 1 1 . 1 1 6 6 CYS H H 6 6.888 6.888 7.519 -0.631 19212 15 1 1 . 1 1 7 7 SER N N 7 119.349 119.349 118.054 1.295 19212 16 1 1 . 1 1 7 7 SER HA H 7 4.226 4.226 4.462 -0.236 19212 17 1 1 . 1 1 7 7 SER H H 7 9.584 9.584 8.854 0.730 19212 18 1 1 . 1 1 8 8 SER N N 8 115.557 115.557 117.572 -2.015 19212 19 1 1 . 1 1 8 8 SER HA H 8 5.137 5.137 4.840 0.297 19212 20 1 1 . 1 1 8 8 SER H H 8 7.776 7.776 7.584 0.192 19212 21 1 1 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.583 -0.024 19212 22 1 1 . 1 1 10 10 GLU N N 10 116.738 116.738 116.898 -0.160 19212 23 1 1 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.404 -0.110 19212 24 1 1 . 1 1 10 10 GLU H H 10 8.165 8.165 8.340 -0.175 19212 25 1 1 . 1 1 11 11 ASN N N 11 120.592 120.592 120.387 0.205 19212 26 1 1 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.953 -0.159 19212 27 1 1 . 1 1 11 11 ASN H H 11 7.175 7.175 7.626 -0.451 19212 28 1 1 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.467 0.237 19212 29 1 1 . 1 1 13 13 CYS N N 13 117.795 117.795 116.175 1.620 19212 30 1 1 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.555 0.093 19212 31 1 1 . 1 1 13 13 CYS H H 13 8.847 8.847 8.153 0.694 19212 32 1 1 . 1 1 14 14 CYS N N 14 112.262 112.262 118.042 -5.780 19212 33 1 1 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.866 0.190 19212 34 1 1 . 1 1 14 14 CYS H H 14 7.448 7.448 7.400 0.048 19212 35 1 1 . 1 1 15 15 ASP N N 15 121.027 121.027 124.417 -3.390 19212 36 1 1 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.444 0.126 19212 37 1 1 . 1 1 15 15 ASP H H 15 8.130 8.130 8.487 -0.357 19212 38 1 1 . 1 1 16 16 ALA N N 16 130.920 130.920 129.439 1.481 19212 39 1 1 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.117 0.031 19212 40 1 1 . 1 1 16 16 ALA H H 16 8.915 8.915 8.422 0.493 19212 41 1 1 . 1 1 17 17 ALA N N 17 117.732 117.732 121.038 -3.306 19212 42 1 1 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.135 0.226 19212 43 1 1 . 1 1 17 17 ALA H H 17 8.588 8.588 7.907 0.681 19212 44 1 1 . 1 1 18 18 THR N N 18 105.299 105.299 111.209 -5.910 19212 45 1 1 . 1 1 18 18 THR HA H 18 4.445 4.445 4.350 0.095 19212 46 1 1 . 1 1 18 18 THR H H 18 7.660 7.660 8.009 -0.349 19212 47 1 1 . 1 1 19 19 CYS N N 19 119.038 119.038 119.826 -0.788 19212 48 1 1 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.103 0.539 19212 49 1 1 . 1 1 19 19 CYS H H 19 8.520 8.520 8.593 -0.073 19212 50 1 1 . 1 1 20 20 LYS N N 20 118.354 118.354 117.527 0.827 19212 51 1 1 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.662 0.283 19212 52 1 1 . 1 1 20 20 LYS H H 20 7.878 7.878 7.445 0.433 19212 53 1 1 . 1 1 21 21 LEU N N 21 120.405 120.405 120.192 0.213 19212 54 1 1 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.381 -0.096 19212 55 1 1 . 1 1 21 21 LEU H H 21 9.127 9.127 8.447 0.680 19212 56 1 1 . 1 1 22 22 ARG N N 22 122.457 122.457 126.571 -4.114 19212 57 1 1 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.374 0.074 19212 58 1 1 . 1 1 22 22 ARG H H 22 8.403 8.403 8.263 0.140 19212 59 1 1 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.511 -0.122 19212 60 1 1 . 1 1 24 24 GLY N N 24 113.629 113.629 106.505 7.124 19212 61 1 1 . 1 1 24 24 GLY H H 24 8.752 8.752 8.268 0.484 19212 62 1 1 . 1 1 25 25 ALA N N 25 123.389 123.389 121.536 1.853 19212 63 1 1 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.161 0.379 19212 64 1 1 . 1 1 25 25 ALA H H 25 7.857 7.857 7.527 0.330 19212 65 1 1 . 1 1 26 26 GLN N N 26 117.396 117.396 121.246 -3.850 19212 66 1 1 . 1 1 26 26 GLN HA H 26 4.113 4.113 3.996 0.117 19212 67 1 1 . 1 1 26 26 GLN H H 26 8.745 8.745 8.252 0.493 19212 68 1 1 . 1 1 27 27 CYS N N 27 113.256 113.256 115.031 -1.775 19212 69 1 1 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.791 -0.236 19212 70 1 1 . 1 1 27 27 CYS H H 27 7.721 7.721 7.495 0.226 19212 71 1 1 . 1 1 28 28 GLY N N 28 104.864 104.864 108.852 -3.988 19212 72 1 1 . 1 1 28 28 GLY H H 28 9.086 9.086 8.568 0.518 19212 73 1 1 . 1 1 29 29 GLU N N 29 118.034 118.034 118.235 -0.201 19212 74 1 1 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.539 0.243 19212 75 1 1 . 1 1 29 29 GLU H H 29 7.762 7.762 7.537 0.225 19212 76 1 1 . 1 1 30 30 GLY N N 30 108.470 108.470 109.143 -0.673 19212 77 1 1 . 1 1 30 30 GLY H H 30 8.315 8.315 8.137 0.178 19212 78 1 1 . 1 1 31 31 LEU N N 31 120.903 120.903 121.087 -0.184 19212 79 1 1 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.229 0.125 19212 80 1 1 . 1 1 31 31 LEU H H 31 8.895 8.895 8.785 0.110 19212 81 1 1 . 1 1 32 32 CYS N N 32 114.873 114.873 118.086 -3.213 19212 82 1 1 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.614 0.494 19212 83 1 1 . 1 1 32 32 CYS H H 32 8.376 8.376 8.827 -0.451 19212 84 1 1 . 1 1 33 33 CYS N N 33 121.151 121.151 121.466 -0.315 19212 85 1 1 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.199 0.092 19212 86 1 1 . 1 1 33 33 CYS H H 33 7.291 7.291 7.696 -0.405 19212 87 1 1 . 1 1 34 34 GLU N N 34 128.487 128.487 124.981 3.506 19212 88 1 1 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.485 0.197 19212 89 1 1 . 1 1 34 34 GLU H H 34 9.652 9.652 8.502 1.150 19212 90 1 1 . 1 1 35 35 GLN N N 35 125.441 125.441 122.317 3.124 19212 91 1 1 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.964 0.035 19212 92 1 1 . 1 1 35 35 GLN H H 35 9.373 9.373 9.230 0.143 19212 93 1 1 . 1 1 36 36 CYS N N 36 105.424 105.424 111.913 -6.489 19212 94 1 1 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.116 0.685 19212 95 1 1 . 1 1 36 36 CYS H H 36 8.410 8.410 8.386 0.024 19212 96 1 1 . 1 1 37 37 LYS N N 37 120.965 120.965 118.534 2.431 19212 97 1 1 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.462 0.241 19212 98 1 1 . 1 1 37 37 LYS H H 37 7.939 7.939 7.780 0.159 19212 99 1 1 . 1 1 38 38 PHE N N 38 119.722 119.722 120.782 -1.060 19212 100 1 1 . 1 1 38 38 PHE HA H 38 5.141 5.141 5.052 0.089 19212 101 1 1 . 1 1 38 38 PHE H H 38 8.192 8.192 8.491 -0.299 19212 102 1 1 . 1 1 39 39 SER N N 39 121.524 121.524 119.481 2.043 19212 103 1 1 . 1 1 39 39 SER HA H 39 4.274 4.274 4.346 -0.072 19212 104 1 1 . 1 1 39 39 SER H H 39 8.963 8.963 8.939 0.024 19212 105 1 1 . 1 1 40 40 ARG N N 40 121.711 121.711 119.835 1.876 19212 106 1 1 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.488 -0.387 19212 107 1 1 . 1 1 40 40 ARG H H 40 8.485 8.485 8.588 -0.103 19212 108 1 1 . 1 1 41 41 ALA N N 41 123.576 123.576 122.342 1.234 19212 109 1 1 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.377 -0.653 19212 110 1 1 . 1 1 41 41 ALA H H 41 8.417 8.417 8.226 0.191 19212 111 1 1 . 1 1 42 42 GLY N N 42 110.397 110.397 107.778 2.619 19212 112 1 1 . 1 1 42 42 GLY H H 42 8.520 8.520 8.783 -0.263 19212 113 1 1 . 1 1 43 43 LYS N N 43 122.643 122.643 120.194 2.449 19212 114 1 1 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.499 -0.350 19212 115 1 1 . 1 1 43 43 LYS H H 43 7.441 7.441 7.313 0.128 19212 116 1 1 . 1 1 44 44 ILE N N 44 128.798 128.798 128.972 -0.174 19212 117 1 1 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.195 -0.073 19212 118 1 1 . 1 1 44 44 ILE H H 44 8.793 8.793 8.745 0.048 19212 119 1 1 . 1 1 45 45 CYS N N 45 123.700 123.700 125.224 -1.524 19212 120 1 1 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.327 0.845 19212 121 1 1 . 1 1 45 45 CYS H H 45 9.325 9.325 8.696 0.629 19212 122 1 1 . 1 1 46 46 ARG N N 46 123.265 123.265 117.957 5.308 19212 123 1 1 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.602 -0.160 19212 124 1 1 . 1 1 46 46 ARG H H 46 7.475 7.475 7.372 0.103 19212 125 1 1 . 1 1 47 47 ILE N N 47 127.244 127.244 119.098 8.146 19212 126 1 1 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.416 -0.162 19212 127 1 1 . 1 1 47 47 ILE H H 47 8.417 8.417 8.370 0.047 19212 128 1 1 . 1 1 48 48 ALA N N 48 130.660 130.660 125.037 5.623 19212 129 1 1 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.859 -0.614 19212 130 1 1 . 1 1 48 48 ALA H H 48 9.322 9.322 8.453 0.869 19212 131 1 1 . 1 1 49 49 ARG N N 49 120.352 120.352 124.148 -3.796 19212 132 1 1 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.470 -0.063 19212 133 1 1 . 1 1 49 49 ARG H H 49 8.150 8.150 8.901 -0.751 19212 134 1 1 . 1 1 50 50 GLY N N 50 108.819 108.819 115.078 -6.259 19212 135 1 1 . 1 1 50 50 GLY H H 50 7.329 7.329 8.295 -0.966 19212 136 1 1 . 1 1 51 51 ASP N N 51 121.337 121.337 118.970 2.367 19212 137 1 1 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.499 0.062 19212 138 1 1 . 1 1 51 51 ASP H H 51 8.090 8.090 6.643 1.447 19212 139 1 1 . 1 1 52 52 TRP N N 52 119.227 119.227 122.185 -2.958 19212 140 1 1 . 1 1 52 52 TRP HA H 52 4.640 4.640 4.945 -0.305 19212 141 1 1 . 1 1 52 52 TRP H H 52 7.812 7.812 7.339 0.473 19212 142 1 1 . 1 1 53 53 ASN N N 53 116.695 116.695 120.302 -3.607 19212 143 1 1 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.993 -0.243 19212 144 1 1 . 1 1 53 53 ASN H H 53 8.310 8.310 8.692 -0.382 19212 145 1 1 . 1 1 54 54 ASP N N 54 119.908 119.908 122.990 -3.082 19212 146 1 1 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.737 0.082 19212 147 1 1 . 1 1 54 54 ASP H H 54 8.090 8.090 8.544 -0.454 19212 148 1 1 . 1 1 55 55 ASP N N 55 121.524 121.524 120.378 1.146 19212 149 1 1 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.826 0.197 19212 150 1 1 . 1 1 55 55 ASP H H 55 8.520 8.520 8.423 0.097 19212 151 1 1 . 1 1 56 56 ARG N N 56 119.970 119.970 122.167 -2.197 19212 152 1 1 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.462 0.830 19212 153 1 1 . 1 1 56 56 ARG H H 56 8.533 8.533 8.483 0.050 19212 154 1 1 . 1 1 57 57 CYS N N 57 119.286 119.286 123.210 -3.924 19212 155 1 1 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.459 0.397 19212 156 1 1 . 1 1 57 57 CYS H H 57 9.222 9.222 8.816 0.406 19212 157 1 1 . 1 1 58 58 THR N N 58 113.194 113.194 118.642 -5.448 19212 158 1 1 . 1 1 58 58 THR HA H 58 4.442 4.442 4.188 0.254 19212 159 1 1 . 1 1 58 58 THR H H 58 10.048 10.048 9.028 1.020 19212 160 1 1 . 1 1 59 59 GLY N N 59 111.765 111.765 109.590 2.175 19212 161 1 1 . 1 1 59 59 GLY H H 59 8.458 8.458 7.789 0.669 19212 162 1 1 . 1 1 60 60 GLN N N 60 114.377 114.377 118.718 -4.341 19212 163 1 1 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.065 0.233 19212 164 1 1 . 1 1 60 60 GLN H H 60 7.857 7.857 8.270 -0.413 19212 165 1 1 . 1 1 61 61 SER N N 61 110.770 110.770 114.923 -4.153 19212 166 1 1 . 1 1 61 61 SER HA H 61 3.880 3.880 4.257 -0.377 19212 167 1 1 . 1 1 61 61 SER H H 61 6.540 6.540 7.503 -0.963 19212 168 1 1 . 1 1 62 62 ALA N N 62 125.565 125.565 126.311 -0.746 19212 169 1 1 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.526 -0.091 19212 170 1 1 . 1 1 62 62 ALA H H 62 8.936 8.936 8.817 0.119 19212 171 1 1 . 1 1 63 63 ASP N N 63 117.546 117.546 115.758 1.788 19212 172 1 1 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.740 0.155 19212 173 1 1 . 1 1 63 63 ASP H H 63 8.117 8.117 8.209 -0.092 19212 174 1 1 . 1 1 64 64 CYS N N 64 121.338 121.338 119.048 2.290 19212 175 1 1 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.799 0.642 19212 176 1 1 . 1 1 64 64 CYS H H 64 8.868 8.868 8.312 0.556 19212 177 1 1 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.655 -0.294 19212 178 1 1 . 1 1 66 66 ARG N N 66 119.930 119.930 118.160 1.770 19212 179 1 1 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.820 -0.434 19212 180 1 1 . 1 1 66 66 ARG H H 66 8.232 8.232 8.264 -0.032 19212 181 1 1 . 1 1 67 67 ASN N N 67 124.642 124.642 118.892 5.750 19212 182 1 1 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.709 0.075 19212 183 1 1 . 1 1 67 67 ASN H H 67 8.887 8.887 8.570 0.317 19212 184 1 1 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.371 -0.058 19212 185 1 1 . 1 1 69 69 TRP N N 69 118.875 118.875 116.463 2.412 19212 186 1 1 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.712 -0.158 19212 187 1 1 . 1 1 69 69 TRP H H 69 7.941 7.941 7.073 0.868 19212 188 1 1 . 1 1 70 70 ASN N N 70 119.579 119.579 120.671 -1.092 19212 189 1 1 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.415 0.292 19212 190 1 1 . 1 1 70 70 ASN H H 70 7.866 7.866 7.461 0.405 19212 191 1 2 . 1 1 2 2 LYS N N 2 121.151 121.151 124.624 -3.473 19212 192 1 2 . 1 1 2 2 LYS H H 2 8.253 8.253 8.486 -0.233 19212 193 1 2 . 1 1 3 3 GLU N N 3 121.214 121.214 117.853 3.361 19212 194 1 2 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.496 -0.174 19212 195 1 2 . 1 1 3 3 GLU H H 3 8.581 8.581 8.025 0.556 19212 196 1 2 . 1 1 4 4 CYS N N 4 119.597 119.597 120.468 -0.871 19212 197 1 2 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.832 0.143 19212 198 1 2 . 1 1 4 4 CYS H H 4 8.028 8.028 8.172 -0.144 19212 199 1 2 . 1 1 5 5 ASP N N 5 119.597 119.597 123.194 -3.597 19212 200 1 2 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.646 0.171 19212 201 1 2 . 1 1 5 5 ASP H H 5 8.690 8.690 8.867 -0.177 19212 202 1 2 . 1 1 6 6 CYS N N 6 112.573 112.573 116.410 -3.837 19212 203 1 2 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.752 0.179 19212 204 1 2 . 1 1 6 6 CYS H H 6 6.888 6.888 7.927 -1.039 19212 205 1 2 . 1 1 7 7 SER N N 7 119.349 119.349 116.806 2.543 19212 206 1 2 . 1 1 7 7 SER HA H 7 4.226 4.226 4.593 -0.367 19212 207 1 2 . 1 1 7 7 SER H H 7 9.584 9.584 8.473 1.111 19212 208 1 2 . 1 1 8 8 SER N N 8 115.557 115.557 117.338 -1.781 19212 209 1 2 . 1 1 8 8 SER HA H 8 5.137 5.137 4.670 0.467 19212 210 1 2 . 1 1 8 8 SER H H 8 7.776 7.776 7.705 0.071 19212 211 1 2 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.363 0.196 19212 212 1 2 . 1 1 10 10 GLU N N 10 116.738 116.738 117.853 -1.115 19212 213 1 2 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.109 0.185 19212 214 1 2 . 1 1 10 10 GLU H H 10 8.165 8.165 8.378 -0.213 19212 215 1 2 . 1 1 11 11 ASN N N 11 120.592 120.592 120.241 0.351 19212 216 1 2 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.787 0.007 19212 217 1 2 . 1 1 11 11 ASN H H 11 7.175 7.175 7.970 -0.795 19212 218 1 2 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.426 0.278 19212 219 1 2 . 1 1 13 13 CYS N N 13 117.795 117.795 117.130 0.665 19212 220 1 2 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.351 0.297 19212 221 1 2 . 1 1 13 13 CYS H H 13 8.847 8.847 7.891 0.956 19212 222 1 2 . 1 1 14 14 CYS N N 14 112.262 112.262 118.193 -5.931 19212 223 1 2 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.868 0.188 19212 224 1 2 . 1 1 14 14 CYS H H 14 7.448 7.448 7.507 -0.059 19212 225 1 2 . 1 1 15 15 ASP N N 15 121.027 121.027 126.419 -5.392 19212 226 1 2 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.465 0.105 19212 227 1 2 . 1 1 15 15 ASP H H 15 8.130 8.130 8.898 -0.768 19212 228 1 2 . 1 1 16 16 ALA N N 16 130.920 130.920 129.337 1.583 19212 229 1 2 . 1 1 16 16 ALA HA H 16 4.148 4.148 3.999 0.149 19212 230 1 2 . 1 1 16 16 ALA H H 16 8.915 8.915 8.684 0.231 19212 231 1 2 . 1 1 17 17 ALA N N 17 117.732 117.732 122.150 -4.418 19212 232 1 2 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.102 0.259 19212 233 1 2 . 1 1 17 17 ALA H H 17 8.588 8.588 8.189 0.399 19212 234 1 2 . 1 1 18 18 THR N N 18 105.299 105.299 109.234 -3.935 19212 235 1 2 . 1 1 18 18 THR HA H 18 4.445 4.445 4.453 -0.008 19212 236 1 2 . 1 1 18 18 THR H H 18 7.660 7.660 8.236 -0.576 19212 237 1 2 . 1 1 19 19 CYS N N 19 119.038 119.038 116.402 2.636 19212 238 1 2 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.154 0.488 19212 239 1 2 . 1 1 19 19 CYS H H 19 8.520 8.520 7.749 0.771 19212 240 1 2 . 1 1 20 20 LYS N N 20 118.354 118.354 117.524 0.830 19212 241 1 2 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.679 0.266 19212 242 1 2 . 1 1 20 20 LYS H H 20 7.878 7.878 7.345 0.533 19212 243 1 2 . 1 1 21 21 LEU N N 21 120.405 120.405 121.291 -0.886 19212 244 1 2 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.583 -0.298 19212 245 1 2 . 1 1 21 21 LEU H H 21 9.127 9.127 8.575 0.552 19212 246 1 2 . 1 1 22 22 ARG N N 22 122.457 122.457 125.901 -3.444 19212 247 1 2 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.354 0.094 19212 248 1 2 . 1 1 22 22 ARG H H 22 8.403 8.403 8.084 0.319 19212 249 1 2 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.553 -0.164 19212 250 1 2 . 1 1 24 24 GLY N N 24 113.629 113.629 105.935 7.694 19212 251 1 2 . 1 1 24 24 GLY H H 24 8.752 8.752 8.273 0.479 19212 252 1 2 . 1 1 25 25 ALA N N 25 123.389 123.389 122.221 1.168 19212 253 1 2 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.185 0.355 19212 254 1 2 . 1 1 25 25 ALA H H 25 7.857 7.857 7.414 0.443 19212 255 1 2 . 1 1 26 26 GLN N N 26 117.396 117.396 122.319 -4.923 19212 256 1 2 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.135 -0.022 19212 257 1 2 . 1 1 26 26 GLN H H 26 8.745 8.745 8.204 0.541 19212 258 1 2 . 1 1 27 27 CYS N N 27 113.256 113.256 112.322 0.934 19212 259 1 2 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.637 -0.082 19212 260 1 2 . 1 1 27 27 CYS H H 27 7.721 7.721 7.151 0.570 19212 261 1 2 . 1 1 28 28 GLY N N 28 104.864 104.864 110.025 -5.161 19212 262 1 2 . 1 1 28 28 GLY H H 28 9.086 9.086 8.699 0.387 19212 263 1 2 . 1 1 29 29 GLU N N 29 118.034 118.034 119.167 -1.133 19212 264 1 2 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.537 0.244 19212 265 1 2 . 1 1 29 29 GLU H H 29 7.762 7.762 7.530 0.232 19212 266 1 2 . 1 1 30 30 GLY N N 30 108.470 108.470 107.270 1.200 19212 267 1 2 . 1 1 30 30 GLY H H 30 8.315 8.315 8.070 0.245 19212 268 1 2 . 1 1 31 31 LEU N N 31 120.903 120.903 118.105 2.798 19212 269 1 2 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.643 -0.289 19212 270 1 2 . 1 1 31 31 LEU H H 31 8.895 8.895 8.132 0.763 19212 271 1 2 . 1 1 32 32 CYS N N 32 114.873 114.873 118.619 -3.746 19212 272 1 2 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.497 0.611 19212 273 1 2 . 1 1 32 32 CYS H H 32 8.376 8.376 8.211 0.165 19212 274 1 2 . 1 1 33 33 CYS N N 33 121.151 121.151 121.708 -0.557 19212 275 1 2 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.087 0.204 19212 276 1 2 . 1 1 33 33 CYS H H 33 7.291 7.291 7.970 -0.679 19212 277 1 2 . 1 1 34 34 GLU N N 34 128.487 128.487 128.885 -0.398 19212 278 1 2 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.574 0.108 19212 279 1 2 . 1 1 34 34 GLU H H 34 9.652 9.652 8.758 0.894 19212 280 1 2 . 1 1 35 35 GLN N N 35 125.441 125.441 124.971 0.470 19212 281 1 2 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.959 0.040 19212 282 1 2 . 1 1 35 35 GLN H H 35 9.373 9.373 9.089 0.284 19212 283 1 2 . 1 1 36 36 CYS N N 36 105.424 105.424 112.758 -7.334 19212 284 1 2 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.225 0.576 19212 285 1 2 . 1 1 36 36 CYS H H 36 8.410 8.410 8.420 -0.010 19212 286 1 2 . 1 1 37 37 LYS N N 37 120.965 120.965 117.961 3.004 19212 287 1 2 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.380 0.323 19212 288 1 2 . 1 1 37 37 LYS H H 37 7.939 7.939 7.250 0.689 19212 289 1 2 . 1 1 38 38 PHE N N 38 119.722 119.722 120.844 -1.122 19212 290 1 2 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.625 0.516 19212 291 1 2 . 1 1 38 38 PHE H H 38 8.192 8.192 8.496 -0.304 19212 292 1 2 . 1 1 39 39 SER N N 39 121.524 121.524 121.841 -0.317 19212 293 1 2 . 1 1 39 39 SER HA H 39 4.274 4.274 4.344 -0.070 19212 294 1 2 . 1 1 39 39 SER H H 39 8.963 8.963 8.434 0.529 19212 295 1 2 . 1 1 40 40 ARG N N 40 121.711 121.711 119.972 1.739 19212 296 1 2 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.503 -0.402 19212 297 1 2 . 1 1 40 40 ARG H H 40 8.485 8.485 8.452 0.033 19212 298 1 2 . 1 1 41 41 ALA N N 41 123.576 123.576 122.882 0.694 19212 299 1 2 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.316 -0.592 19212 300 1 2 . 1 1 41 41 ALA H H 41 8.417 8.417 8.338 0.079 19212 301 1 2 . 1 1 42 42 GLY N N 42 110.397 110.397 108.337 2.060 19212 302 1 2 . 1 1 42 42 GLY H H 42 8.520 8.520 8.793 -0.273 19212 303 1 2 . 1 1 43 43 LYS N N 43 122.643 122.643 120.380 2.263 19212 304 1 2 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.619 -0.470 19212 305 1 2 . 1 1 43 43 LYS H H 43 7.441 7.441 7.325 0.116 19212 306 1 2 . 1 1 44 44 ILE N N 44 128.798 128.798 128.966 -0.168 19212 307 1 2 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.332 -0.210 19212 308 1 2 . 1 1 44 44 ILE H H 44 8.793 8.793 8.871 -0.078 19212 309 1 2 . 1 1 45 45 CYS N N 45 123.700 123.700 123.146 0.554 19212 310 1 2 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.744 0.428 19212 311 1 2 . 1 1 45 45 CYS H H 45 9.325 9.325 8.516 0.809 19212 312 1 2 . 1 1 46 46 ARG N N 46 123.265 123.265 119.326 3.939 19212 313 1 2 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.574 -0.132 19212 314 1 2 . 1 1 46 46 ARG H H 46 7.475 7.475 7.556 -0.081 19212 315 1 2 . 1 1 47 47 ILE N N 47 127.244 127.244 122.028 5.216 19212 316 1 2 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.086 0.168 19212 317 1 2 . 1 1 47 47 ILE H H 47 8.417 8.417 8.417 -0.000 19212 318 1 2 . 1 1 48 48 ALA N N 48 130.660 130.660 128.316 2.344 19212 319 1 2 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.749 -0.504 19212 320 1 2 . 1 1 48 48 ALA H H 48 9.322 9.322 8.196 1.126 19212 321 1 2 . 1 1 49 49 ARG N N 49 120.352 120.352 122.286 -1.934 19212 322 1 2 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.598 -0.191 19212 323 1 2 . 1 1 49 49 ARG H H 49 8.150 8.150 8.981 -0.831 19212 324 1 2 . 1 1 50 50 GLY N N 50 108.819 108.819 112.724 -3.905 19212 325 1 2 . 1 1 50 50 GLY H H 50 7.329 7.329 8.440 -1.111 19212 326 1 2 . 1 1 51 51 ASP N N 51 121.337 121.337 118.702 2.635 19212 327 1 2 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.574 -0.013 19212 328 1 2 . 1 1 51 51 ASP H H 51 8.090 8.090 6.306 1.784 19212 329 1 2 . 1 1 52 52 TRP N N 52 119.227 119.227 120.506 -1.279 19212 330 1 2 . 1 1 52 52 TRP HA H 52 4.640 4.640 5.036 -0.396 19212 331 1 2 . 1 1 52 52 TRP H H 52 7.812 7.812 7.058 0.754 19212 332 1 2 . 1 1 53 53 ASN N N 53 116.695 116.695 119.856 -3.161 19212 333 1 2 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.769 -0.019 19212 334 1 2 . 1 1 53 53 ASN H H 53 8.310 8.310 8.585 -0.275 19212 335 1 2 . 1 1 54 54 ASP N N 54 119.908 119.908 120.351 -0.443 19212 336 1 2 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.744 0.075 19212 337 1 2 . 1 1 54 54 ASP H H 54 8.090 8.090 8.453 -0.363 19212 338 1 2 . 1 1 55 55 ASP N N 55 121.524 121.524 119.716 1.808 19212 339 1 2 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.857 0.166 19212 340 1 2 . 1 1 55 55 ASP H H 55 8.520 8.520 8.454 0.066 19212 341 1 2 . 1 1 56 56 ARG N N 56 119.970 119.970 120.834 -0.864 19212 342 1 2 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.645 0.646 19212 343 1 2 . 1 1 56 56 ARG H H 56 8.533 8.533 8.501 0.032 19212 344 1 2 . 1 1 57 57 CYS N N 57 119.286 119.286 124.127 -4.841 19212 345 1 2 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.300 0.556 19212 346 1 2 . 1 1 57 57 CYS H H 57 9.222 9.222 8.895 0.327 19212 347 1 2 . 1 1 58 58 THR N N 58 113.194 113.194 120.044 -6.850 19212 348 1 2 . 1 1 58 58 THR HA H 58 4.442 4.442 4.110 0.332 19212 349 1 2 . 1 1 58 58 THR H H 58 10.048 10.048 8.771 1.277 19212 350 1 2 . 1 1 59 59 GLY N N 59 111.765 111.765 110.122 1.643 19212 351 1 2 . 1 1 59 59 GLY H H 59 8.458 8.458 7.655 0.803 19212 352 1 2 . 1 1 60 60 GLN N N 60 114.377 114.377 120.445 -6.068 19212 353 1 2 . 1 1 60 60 GLN HA H 60 4.298 4.298 3.941 0.357 19212 354 1 2 . 1 1 60 60 GLN H H 60 7.857 7.857 7.763 0.094 19212 355 1 2 . 1 1 61 61 SER N N 61 110.770 110.770 114.089 -3.319 19212 356 1 2 . 1 1 61 61 SER HA H 61 3.880 3.880 4.321 -0.441 19212 357 1 2 . 1 1 61 61 SER H H 61 6.540 6.540 7.485 -0.945 19212 358 1 2 . 1 1 62 62 ALA N N 62 125.565 125.565 124.630 0.935 19212 359 1 2 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.568 -0.133 19212 360 1 2 . 1 1 62 62 ALA H H 62 8.936 8.936 8.717 0.219 19212 361 1 2 . 1 1 63 63 ASP N N 63 117.546 117.546 118.981 -1.435 19212 362 1 2 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.725 0.170 19212 363 1 2 . 1 1 63 63 ASP H H 63 8.117 8.117 7.889 0.228 19212 364 1 2 . 1 1 64 64 CYS N N 64 121.338 121.338 123.082 -1.744 19212 365 1 2 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.276 1.165 19212 366 1 2 . 1 1 64 64 CYS H H 64 8.868 8.868 8.549 0.319 19212 367 1 2 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.441 -0.080 19212 368 1 2 . 1 1 66 66 ARG N N 66 119.930 119.930 121.903 -1.973 19212 369 1 2 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.531 -0.145 19212 370 1 2 . 1 1 66 66 ARG H H 66 8.232 8.232 8.172 0.060 19212 371 1 2 . 1 1 67 67 ASN N N 67 124.642 124.642 118.491 6.151 19212 372 1 2 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.364 0.420 19212 373 1 2 . 1 1 67 67 ASN H H 67 8.887 8.887 8.332 0.555 19212 374 1 2 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.316 -0.003 19212 375 1 2 . 1 1 69 69 TRP N N 69 118.875 118.875 116.933 1.942 19212 376 1 2 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.559 -0.005 19212 377 1 2 . 1 1 69 69 TRP H H 69 7.941 7.941 7.399 0.542 19212 378 1 2 . 1 1 70 70 ASN N N 70 119.579 119.579 118.314 1.265 19212 379 1 2 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.904 -0.197 19212 380 1 2 . 1 1 70 70 ASN H H 70 7.866 7.866 7.522 0.344 19212 381 1 3 . 1 1 2 2 LYS N N 2 121.151 121.151 122.468 -1.317 19212 382 1 3 . 1 1 2 2 LYS H H 2 8.253 8.253 8.720 -0.467 19212 383 1 3 . 1 1 3 3 GLU N N 3 121.214 121.214 117.775 3.439 19212 384 1 3 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.483 -0.161 19212 385 1 3 . 1 1 3 3 GLU H H 3 8.581 8.581 8.429 0.152 19212 386 1 3 . 1 1 4 4 CYS N N 4 119.597 119.597 119.698 -0.101 19212 387 1 3 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.655 0.320 19212 388 1 3 . 1 1 4 4 CYS H H 4 8.028 8.028 7.784 0.244 19212 389 1 3 . 1 1 5 5 ASP N N 5 119.597 119.597 126.041 -6.444 19212 390 1 3 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.994 -0.177 19212 391 1 3 . 1 1 5 5 ASP H H 5 8.690 8.690 9.103 -0.413 19212 392 1 3 . 1 1 6 6 CYS N N 6 112.573 112.573 112.147 0.426 19212 393 1 3 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.923 0.008 19212 394 1 3 . 1 1 6 6 CYS H H 6 6.888 6.888 7.385 -0.497 19212 395 1 3 . 1 1 7 7 SER N N 7 119.349 119.349 114.742 4.607 19212 396 1 3 . 1 1 7 7 SER HA H 7 4.226 4.226 4.603 -0.377 19212 397 1 3 . 1 1 7 7 SER H H 7 9.584 9.584 8.459 1.125 19212 398 1 3 . 1 1 8 8 SER N N 8 115.557 115.557 117.776 -2.219 19212 399 1 3 . 1 1 8 8 SER HA H 8 5.137 5.137 4.845 0.292 19212 400 1 3 . 1 1 8 8 SER H H 8 7.776 7.776 7.709 0.067 19212 401 1 3 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.498 0.061 19212 402 1 3 . 1 1 10 10 GLU N N 10 116.738 116.738 118.441 -1.703 19212 403 1 3 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.404 -0.110 19212 404 1 3 . 1 1 10 10 GLU H H 10 8.165 8.165 8.001 0.164 19212 405 1 3 . 1 1 11 11 ASN N N 11 120.592 120.592 119.715 0.877 19212 406 1 3 . 1 1 11 11 ASN HA H 11 4.794 4.794 5.019 -0.225 19212 407 1 3 . 1 1 11 11 ASN H H 11 7.175 7.175 7.635 -0.460 19212 408 1 3 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.442 0.262 19212 409 1 3 . 1 1 13 13 CYS N N 13 117.795 117.795 116.372 1.423 19212 410 1 3 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.535 0.113 19212 411 1 3 . 1 1 13 13 CYS H H 13 8.847 8.847 8.210 0.637 19212 412 1 3 . 1 1 14 14 CYS N N 14 112.262 112.262 120.328 -8.066 19212 413 1 3 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.848 0.208 19212 414 1 3 . 1 1 14 14 CYS H H 14 7.448 7.448 7.304 0.144 19212 415 1 3 . 1 1 15 15 ASP N N 15 121.027 121.027 127.423 -6.396 19212 416 1 3 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.460 0.110 19212 417 1 3 . 1 1 15 15 ASP H H 15 8.130 8.130 8.527 -0.397 19212 418 1 3 . 1 1 16 16 ALA N N 16 130.920 130.920 129.742 1.178 19212 419 1 3 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.063 0.085 19212 420 1 3 . 1 1 16 16 ALA H H 16 8.915 8.915 8.742 0.173 19212 421 1 3 . 1 1 17 17 ALA N N 17 117.732 117.732 120.199 -2.467 19212 422 1 3 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.115 0.246 19212 423 1 3 . 1 1 17 17 ALA H H 17 8.588 8.588 8.122 0.466 19212 424 1 3 . 1 1 18 18 THR N N 18 105.299 105.299 107.700 -2.401 19212 425 1 3 . 1 1 18 18 THR HA H 18 4.445 4.445 4.339 0.106 19212 426 1 3 . 1 1 18 18 THR H H 18 7.660 7.660 7.562 0.098 19212 427 1 3 . 1 1 19 19 CYS N N 19 119.038 119.038 119.501 -0.463 19212 428 1 3 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.094 0.548 19212 429 1 3 . 1 1 19 19 CYS H H 19 8.520 8.520 8.616 -0.096 19212 430 1 3 . 1 1 20 20 LYS N N 20 118.354 118.354 118.534 -0.180 19212 431 1 3 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.676 0.269 19212 432 1 3 . 1 1 20 20 LYS H H 20 7.878 7.878 7.777 0.101 19212 433 1 3 . 1 1 21 21 LEU N N 21 120.405 120.405 119.505 0.900 19212 434 1 3 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.412 -0.127 19212 435 1 3 . 1 1 21 21 LEU H H 21 9.127 9.127 8.327 0.800 19212 436 1 3 . 1 1 22 22 ARG N N 22 122.457 122.457 126.295 -3.838 19212 437 1 3 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.358 0.090 19212 438 1 3 . 1 1 22 22 ARG H H 22 8.403 8.403 8.035 0.368 19212 439 1 3 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.501 -0.112 19212 440 1 3 . 1 1 24 24 GLY N N 24 113.629 113.629 106.114 7.515 19212 441 1 3 . 1 1 24 24 GLY H H 24 8.752 8.752 8.213 0.539 19212 442 1 3 . 1 1 25 25 ALA N N 25 123.389 123.389 121.357 2.032 19212 443 1 3 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.091 0.449 19212 444 1 3 . 1 1 25 25 ALA H H 25 7.857 7.857 7.300 0.557 19212 445 1 3 . 1 1 26 26 GLN N N 26 117.396 117.396 119.129 -1.733 19212 446 1 3 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.078 0.035 19212 447 1 3 . 1 1 26 26 GLN H H 26 8.745 8.745 8.464 0.281 19212 448 1 3 . 1 1 27 27 CYS N N 27 113.256 113.256 111.860 1.396 19212 449 1 3 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.742 -0.187 19212 450 1 3 . 1 1 27 27 CYS H H 27 7.721 7.721 7.254 0.467 19212 451 1 3 . 1 1 28 28 GLY N N 28 104.864 104.864 109.589 -4.725 19212 452 1 3 . 1 1 28 28 GLY H H 28 9.086 9.086 8.935 0.151 19212 453 1 3 . 1 1 29 29 GLU N N 29 118.034 118.034 119.861 -1.827 19212 454 1 3 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.571 0.211 19212 455 1 3 . 1 1 29 29 GLU H H 29 7.762 7.762 7.813 -0.051 19212 456 1 3 . 1 1 30 30 GLY N N 30 108.470 108.470 110.296 -1.826 19212 457 1 3 . 1 1 30 30 GLY H H 30 8.315 8.315 8.298 0.017 19212 458 1 3 . 1 1 31 31 LEU N N 31 120.903 120.903 120.901 0.002 19212 459 1 3 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.281 0.073 19212 460 1 3 . 1 1 31 31 LEU H H 31 8.895 8.895 8.525 0.370 19212 461 1 3 . 1 1 32 32 CYS N N 32 114.873 114.873 117.787 -2.914 19212 462 1 3 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.566 0.542 19212 463 1 3 . 1 1 32 32 CYS H H 32 8.376 8.376 8.650 -0.274 19212 464 1 3 . 1 1 33 33 CYS N N 33 121.151 121.151 121.752 -0.601 19212 465 1 3 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.465 -0.174 19212 466 1 3 . 1 1 33 33 CYS H H 33 7.291 7.291 7.798 -0.507 19212 467 1 3 . 1 1 34 34 GLU N N 34 128.487 128.487 128.382 0.105 19212 468 1 3 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.597 0.085 19212 469 1 3 . 1 1 34 34 GLU H H 34 9.652 9.652 8.422 1.230 19212 470 1 3 . 1 1 35 35 GLN N N 35 125.441 125.441 123.726 1.715 19212 471 1 3 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.969 0.030 19212 472 1 3 . 1 1 35 35 GLN H H 35 9.373 9.373 9.154 0.219 19212 473 1 3 . 1 1 36 36 CYS N N 36 105.424 105.424 113.959 -8.535 19212 474 1 3 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.176 0.625 19212 475 1 3 . 1 1 36 36 CYS H H 36 8.410 8.410 8.539 -0.129 19212 476 1 3 . 1 1 37 37 LYS N N 37 120.965 120.965 118.287 2.678 19212 477 1 3 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.387 0.316 19212 478 1 3 . 1 1 37 37 LYS H H 37 7.939 7.939 7.454 0.485 19212 479 1 3 . 1 1 38 38 PHE N N 38 119.722 119.722 120.018 -0.296 19212 480 1 3 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.953 0.188 19212 481 1 3 . 1 1 38 38 PHE H H 38 8.192 8.192 8.416 -0.224 19212 482 1 3 . 1 1 39 39 SER N N 39 121.524 121.524 120.320 1.204 19212 483 1 3 . 1 1 39 39 SER HA H 39 4.274 4.274 4.349 -0.075 19212 484 1 3 . 1 1 39 39 SER H H 39 8.963 8.963 8.606 0.357 19212 485 1 3 . 1 1 40 40 ARG N N 40 121.711 121.711 119.935 1.776 19212 486 1 3 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.314 -0.213 19212 487 1 3 . 1 1 40 40 ARG H H 40 8.485 8.485 8.588 -0.103 19212 488 1 3 . 1 1 41 41 ALA N N 41 123.576 123.576 121.420 2.156 19212 489 1 3 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.702 -0.978 19212 490 1 3 . 1 1 41 41 ALA H H 41 8.417 8.417 8.041 0.376 19212 491 1 3 . 1 1 42 42 GLY N N 42 110.397 110.397 108.840 1.557 19212 492 1 3 . 1 1 42 42 GLY H H 42 8.520 8.520 8.966 -0.446 19212 493 1 3 . 1 1 43 43 LYS N N 43 122.643 122.643 120.095 2.548 19212 494 1 3 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.464 -0.315 19212 495 1 3 . 1 1 43 43 LYS H H 43 7.441 7.441 7.349 0.092 19212 496 1 3 . 1 1 44 44 ILE N N 44 128.798 128.798 128.471 0.327 19212 497 1 3 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.313 -0.191 19212 498 1 3 . 1 1 44 44 ILE H H 44 8.793 8.793 8.656 0.137 19212 499 1 3 . 1 1 45 45 CYS N N 45 123.700 123.700 126.028 -2.328 19212 500 1 3 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.600 0.572 19212 501 1 3 . 1 1 45 45 CYS H H 45 9.325 9.325 9.255 0.070 19212 502 1 3 . 1 1 46 46 ARG N N 46 123.265 123.265 117.904 5.361 19212 503 1 3 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.627 -0.185 19212 504 1 3 . 1 1 46 46 ARG H H 46 7.475 7.475 7.382 0.093 19212 505 1 3 . 1 1 47 47 ILE N N 47 127.244 127.244 120.666 6.578 19212 506 1 3 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.154 0.100 19212 507 1 3 . 1 1 47 47 ILE H H 47 8.417 8.417 8.179 0.238 19212 508 1 3 . 1 1 48 48 ALA N N 48 130.660 130.660 123.264 7.396 19212 509 1 3 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.862 -0.618 19212 510 1 3 . 1 1 48 48 ALA H H 48 9.322 9.322 8.260 1.062 19212 511 1 3 . 1 1 49 49 ARG N N 49 120.352 120.352 125.649 -5.297 19212 512 1 3 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.490 -0.083 19212 513 1 3 . 1 1 49 49 ARG H H 49 8.150 8.150 9.185 -1.035 19212 514 1 3 . 1 1 50 50 GLY N N 50 108.819 108.819 114.163 -5.344 19212 515 1 3 . 1 1 50 50 GLY H H 50 7.329 7.329 7.969 -0.640 19212 516 1 3 . 1 1 51 51 ASP N N 51 121.337 121.337 118.896 2.441 19212 517 1 3 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.617 -0.056 19212 518 1 3 . 1 1 51 51 ASP H H 51 8.090 8.090 6.811 1.279 19212 519 1 3 . 1 1 52 52 TRP N N 52 119.227 119.227 120.949 -1.722 19212 520 1 3 . 1 1 52 52 TRP HA H 52 4.640 4.640 4.848 -0.208 19212 521 1 3 . 1 1 52 52 TRP H H 52 7.812 7.812 7.202 0.610 19212 522 1 3 . 1 1 53 53 ASN N N 53 116.695 116.695 120.182 -3.487 19212 523 1 3 . 1 1 53 53 ASN HA H 53 4.750 4.750 5.095 -0.345 19212 524 1 3 . 1 1 53 53 ASN H H 53 8.310 8.310 8.704 -0.394 19212 525 1 3 . 1 1 54 54 ASP N N 54 119.908 119.908 120.385 -0.477 19212 526 1 3 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.609 0.210 19212 527 1 3 . 1 1 54 54 ASP H H 54 8.090 8.090 8.636 -0.546 19212 528 1 3 . 1 1 55 55 ASP N N 55 121.524 121.524 119.742 1.782 19212 529 1 3 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.846 0.177 19212 530 1 3 . 1 1 55 55 ASP H H 55 8.520 8.520 8.269 0.251 19212 531 1 3 . 1 1 56 56 ARG N N 56 119.970 119.970 124.020 -4.050 19212 532 1 3 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.468 0.823 19212 533 1 3 . 1 1 56 56 ARG H H 56 8.533 8.533 8.535 -0.002 19212 534 1 3 . 1 1 57 57 CYS N N 57 119.286 119.286 124.397 -5.111 19212 535 1 3 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.445 0.411 19212 536 1 3 . 1 1 57 57 CYS H H 57 9.222 9.222 8.734 0.488 19212 537 1 3 . 1 1 58 58 THR N N 58 113.194 113.194 118.629 -5.435 19212 538 1 3 . 1 1 58 58 THR HA H 58 4.442 4.442 4.128 0.314 19212 539 1 3 . 1 1 58 58 THR H H 58 10.048 10.048 9.055 0.993 19212 540 1 3 . 1 1 59 59 GLY N N 59 111.765 111.765 108.383 3.382 19212 541 1 3 . 1 1 59 59 GLY H H 59 8.458 8.458 8.220 0.238 19212 542 1 3 . 1 1 60 60 GLN N N 60 114.377 114.377 118.709 -4.332 19212 543 1 3 . 1 1 60 60 GLN HA H 60 4.298 4.298 3.993 0.305 19212 544 1 3 . 1 1 60 60 GLN H H 60 7.857 7.857 7.986 -0.129 19212 545 1 3 . 1 1 61 61 SER N N 61 110.770 110.770 113.392 -2.622 19212 546 1 3 . 1 1 61 61 SER HA H 61 3.880 3.880 4.283 -0.403 19212 547 1 3 . 1 1 61 61 SER H H 61 6.540 6.540 7.339 -0.799 19212 548 1 3 . 1 1 62 62 ALA N N 62 125.565 125.565 129.867 -4.302 19212 549 1 3 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.552 -0.117 19212 550 1 3 . 1 1 62 62 ALA H H 62 8.936 8.936 8.997 -0.061 19212 551 1 3 . 1 1 63 63 ASP N N 63 117.546 117.546 115.476 2.070 19212 552 1 3 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.797 0.098 19212 553 1 3 . 1 1 63 63 ASP H H 63 8.117 8.117 8.024 0.093 19212 554 1 3 . 1 1 64 64 CYS N N 64 121.338 121.338 119.140 2.198 19212 555 1 3 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.969 0.472 19212 556 1 3 . 1 1 64 64 CYS H H 64 8.868 8.868 8.411 0.457 19212 557 1 3 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.632 -0.271 19212 558 1 3 . 1 1 66 66 ARG N N 66 119.930 119.930 118.337 1.593 19212 559 1 3 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.612 -0.226 19212 560 1 3 . 1 1 66 66 ARG H H 66 8.232 8.232 8.295 -0.063 19212 561 1 3 . 1 1 67 67 ASN N N 67 124.642 124.642 117.403 7.239 19212 562 1 3 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.687 0.097 19212 563 1 3 . 1 1 67 67 ASN H H 67 8.887 8.887 8.252 0.635 19212 564 1 3 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.422 -0.109 19212 565 1 3 . 1 1 69 69 TRP N N 69 118.875 118.875 116.069 2.806 19212 566 1 3 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.706 -0.152 19212 567 1 3 . 1 1 69 69 TRP H H 69 7.941 7.941 7.403 0.538 19212 568 1 3 . 1 1 70 70 ASN N N 70 119.579 119.579 120.373 -0.794 19212 569 1 3 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.243 0.464 19212 570 1 3 . 1 1 70 70 ASN H H 70 7.866 7.866 7.384 0.482 19212 571 1 4 . 1 1 2 2 LYS N N 2 121.151 121.151 122.021 -0.870 19212 572 1 4 . 1 1 2 2 LYS H H 2 8.253 8.253 8.392 -0.139 19212 573 1 4 . 1 1 3 3 GLU N N 3 121.214 121.214 119.385 1.829 19212 574 1 4 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.509 -0.187 19212 575 1 4 . 1 1 3 3 GLU H H 3 8.581 8.581 8.240 0.341 19212 576 1 4 . 1 1 4 4 CYS N N 4 119.597 119.597 118.358 1.239 19212 577 1 4 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.975 -0.000 19212 578 1 4 . 1 1 4 4 CYS H H 4 8.028 8.028 7.990 0.038 19212 579 1 4 . 1 1 5 5 ASP N N 5 119.597 119.597 125.756 -6.159 19212 580 1 4 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.619 0.198 19212 581 1 4 . 1 1 5 5 ASP H H 5 8.690 8.690 9.206 -0.516 19212 582 1 4 . 1 1 6 6 CYS N N 6 112.573 112.573 113.551 -0.978 19212 583 1 4 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.857 0.074 19212 584 1 4 . 1 1 6 6 CYS H H 6 6.888 6.888 7.419 -0.531 19212 585 1 4 . 1 1 7 7 SER N N 7 119.349 119.349 114.522 4.827 19212 586 1 4 . 1 1 7 7 SER HA H 7 4.226 4.226 4.485 -0.259 19212 587 1 4 . 1 1 7 7 SER H H 7 9.584 9.584 8.468 1.116 19212 588 1 4 . 1 1 8 8 SER N N 8 115.557 115.557 119.284 -3.727 19212 589 1 4 . 1 1 8 8 SER HA H 8 5.137 5.137 4.925 0.212 19212 590 1 4 . 1 1 8 8 SER H H 8 7.776 7.776 7.776 0.000 19212 591 1 4 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.485 0.074 19212 592 1 4 . 1 1 10 10 GLU N N 10 116.738 116.738 117.202 -0.464 19212 593 1 4 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.331 -0.037 19212 594 1 4 . 1 1 10 10 GLU H H 10 8.165 8.165 8.137 0.028 19212 595 1 4 . 1 1 11 11 ASN N N 11 120.592 120.592 120.316 0.276 19212 596 1 4 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.859 -0.065 19212 597 1 4 . 1 1 11 11 ASN H H 11 7.175 7.175 7.463 -0.288 19212 598 1 4 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.532 0.172 19212 599 1 4 . 1 1 13 13 CYS N N 13 117.795 117.795 114.697 3.098 19212 600 1 4 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.738 -0.090 19212 601 1 4 . 1 1 13 13 CYS H H 13 8.847 8.847 8.631 0.216 19212 602 1 4 . 1 1 14 14 CYS N N 14 112.262 112.262 117.473 -5.211 19212 603 1 4 . 1 1 14 14 CYS HA H 14 5.056 5.056 5.154 -0.098 19212 604 1 4 . 1 1 14 14 CYS H H 14 7.448 7.448 7.544 -0.096 19212 605 1 4 . 1 1 15 15 ASP N N 15 121.027 121.027 122.245 -1.218 19212 606 1 4 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.637 -0.067 19212 607 1 4 . 1 1 15 15 ASP H H 15 8.130 8.130 8.769 -0.639 19212 608 1 4 . 1 1 16 16 ALA N N 16 130.920 130.920 129.956 0.964 19212 609 1 4 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.095 0.053 19212 610 1 4 . 1 1 16 16 ALA H H 16 8.915 8.915 8.649 0.266 19212 611 1 4 . 1 1 17 17 ALA N N 17 117.732 117.732 121.748 -4.016 19212 612 1 4 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.053 0.308 19212 613 1 4 . 1 1 17 17 ALA H H 17 8.588 8.588 8.183 0.405 19212 614 1 4 . 1 1 18 18 THR N N 18 105.299 105.299 106.761 -1.462 19212 615 1 4 . 1 1 18 18 THR HA H 18 4.445 4.445 4.320 0.125 19212 616 1 4 . 1 1 18 18 THR H H 18 7.660 7.660 7.566 0.094 19212 617 1 4 . 1 1 19 19 CYS N N 19 119.038 119.038 121.670 -2.632 19212 618 1 4 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.125 0.517 19212 619 1 4 . 1 1 19 19 CYS H H 19 8.520 8.520 8.425 0.095 19212 620 1 4 . 1 1 20 20 LYS N N 20 118.354 118.354 116.885 1.469 19212 621 1 4 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.716 0.229 19212 622 1 4 . 1 1 20 20 LYS H H 20 7.878 7.878 7.532 0.346 19212 623 1 4 . 1 1 21 21 LEU N N 21 120.405 120.405 120.347 0.058 19212 624 1 4 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.485 -0.200 19212 625 1 4 . 1 1 21 21 LEU H H 21 9.127 9.127 8.573 0.554 19212 626 1 4 . 1 1 22 22 ARG N N 22 122.457 122.457 126.575 -4.118 19212 627 1 4 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.426 0.022 19212 628 1 4 . 1 1 22 22 ARG H H 22 8.403 8.403 8.039 0.364 19212 629 1 4 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.491 -0.102 19212 630 1 4 . 1 1 24 24 GLY N N 24 113.629 113.629 107.231 6.398 19212 631 1 4 . 1 1 24 24 GLY H H 24 8.752 8.752 8.560 0.192 19212 632 1 4 . 1 1 25 25 ALA N N 25 123.389 123.389 124.041 -0.652 19212 633 1 4 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.585 -0.045 19212 634 1 4 . 1 1 25 25 ALA H H 25 7.857 7.857 7.941 -0.084 19212 635 1 4 . 1 1 26 26 GLN N N 26 117.396 117.396 117.258 0.138 19212 636 1 4 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.108 0.005 19212 637 1 4 . 1 1 26 26 GLN H H 26 8.745 8.745 8.254 0.491 19212 638 1 4 . 1 1 27 27 CYS N N 27 113.256 113.256 115.776 -2.520 19212 639 1 4 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.660 -0.105 19212 640 1 4 . 1 1 27 27 CYS H H 27 7.721 7.721 7.183 0.538 19212 641 1 4 . 1 1 28 28 GLY N N 28 104.864 104.864 108.236 -3.372 19212 642 1 4 . 1 1 28 28 GLY H H 28 9.086 9.086 8.972 0.114 19212 643 1 4 . 1 1 29 29 GLU N N 29 118.034 118.034 117.597 0.437 19212 644 1 4 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.519 0.263 19212 645 1 4 . 1 1 29 29 GLU H H 29 7.762 7.762 7.584 0.178 19212 646 1 4 . 1 1 30 30 GLY N N 30 108.470 108.470 108.977 -0.507 19212 647 1 4 . 1 1 30 30 GLY H H 30 8.315 8.315 8.157 0.158 19212 648 1 4 . 1 1 31 31 LEU N N 31 120.903 120.903 121.684 -0.781 19212 649 1 4 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.193 0.161 19212 650 1 4 . 1 1 31 31 LEU H H 31 8.895 8.895 8.741 0.154 19212 651 1 4 . 1 1 32 32 CYS N N 32 114.873 114.873 116.478 -1.605 19212 652 1 4 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.789 0.319 19212 653 1 4 . 1 1 32 32 CYS H H 32 8.376 8.376 8.926 -0.550 19212 654 1 4 . 1 1 33 33 CYS N N 33 121.151 121.151 122.228 -1.077 19212 655 1 4 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.102 0.189 19212 656 1 4 . 1 1 33 33 CYS H H 33 7.291 7.291 7.690 -0.399 19212 657 1 4 . 1 1 34 34 GLU N N 34 128.487 128.487 125.217 3.270 19212 658 1 4 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.376 0.306 19212 659 1 4 . 1 1 34 34 GLU H H 34 9.652 9.652 8.382 1.270 19212 660 1 4 . 1 1 35 35 GLN N N 35 125.441 125.441 123.104 2.337 19212 661 1 4 . 1 1 35 35 GLN HA H 35 3.999 3.999 4.026 -0.027 19212 662 1 4 . 1 1 35 35 GLN H H 35 9.373 9.373 8.678 0.695 19212 663 1 4 . 1 1 36 36 CYS N N 36 105.424 105.424 113.026 -7.602 19212 664 1 4 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.240 0.561 19212 665 1 4 . 1 1 36 36 CYS H H 36 8.410 8.410 8.383 0.027 19212 666 1 4 . 1 1 37 37 LYS N N 37 120.965 120.965 116.778 4.187 19212 667 1 4 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.364 0.339 19212 668 1 4 . 1 1 37 37 LYS H H 37 7.939 7.939 7.424 0.515 19212 669 1 4 . 1 1 38 38 PHE N N 38 119.722 119.722 120.118 -0.396 19212 670 1 4 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.997 0.144 19212 671 1 4 . 1 1 38 38 PHE H H 38 8.192 8.192 8.418 -0.226 19212 672 1 4 . 1 1 39 39 SER N N 39 121.524 121.524 119.435 2.089 19212 673 1 4 . 1 1 39 39 SER HA H 39 4.274 4.274 4.389 -0.115 19212 674 1 4 . 1 1 39 39 SER H H 39 8.963 8.963 9.148 -0.185 19212 675 1 4 . 1 1 40 40 ARG N N 40 121.711 121.711 121.584 0.127 19212 676 1 4 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.229 -0.128 19212 677 1 4 . 1 1 40 40 ARG H H 40 8.485 8.485 8.558 -0.073 19212 678 1 4 . 1 1 41 41 ALA N N 41 123.576 123.576 122.245 1.331 19212 679 1 4 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.408 -0.684 19212 680 1 4 . 1 1 41 41 ALA H H 41 8.417 8.417 7.954 0.463 19212 681 1 4 . 1 1 42 42 GLY N N 42 110.397 110.397 107.799 2.598 19212 682 1 4 . 1 1 42 42 GLY H H 42 8.520 8.520 8.746 -0.226 19212 683 1 4 . 1 1 43 43 LYS N N 43 122.643 122.643 120.232 2.411 19212 684 1 4 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.525 -0.376 19212 685 1 4 . 1 1 43 43 LYS H H 43 7.441 7.441 7.309 0.132 19212 686 1 4 . 1 1 44 44 ILE N N 44 128.798 128.798 128.061 0.737 19212 687 1 4 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.286 -0.164 19212 688 1 4 . 1 1 44 44 ILE H H 44 8.793 8.793 8.798 -0.005 19212 689 1 4 . 1 1 45 45 CYS N N 45 123.700 123.700 121.976 1.724 19212 690 1 4 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.364 0.808 19212 691 1 4 . 1 1 45 45 CYS H H 45 9.325 9.325 8.233 1.092 19212 692 1 4 . 1 1 46 46 ARG N N 46 123.265 123.265 118.359 4.906 19212 693 1 4 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.590 -0.148 19212 694 1 4 . 1 1 46 46 ARG H H 46 7.475 7.475 7.396 0.079 19212 695 1 4 . 1 1 47 47 ILE N N 47 127.244 127.244 123.895 3.349 19212 696 1 4 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.012 0.242 19212 697 1 4 . 1 1 47 47 ILE H H 47 8.417 8.417 8.469 -0.052 19212 698 1 4 . 1 1 48 48 ALA N N 48 130.660 130.660 129.383 1.277 19212 699 1 4 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.352 -0.107 19212 700 1 4 . 1 1 48 48 ALA H H 48 9.322 9.322 8.465 0.857 19212 701 1 4 . 1 1 49 49 ARG N N 49 120.352 120.352 124.249 -3.897 19212 702 1 4 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.478 -0.071 19212 703 1 4 . 1 1 49 49 ARG H H 49 8.150 8.150 8.602 -0.452 19212 704 1 4 . 1 1 50 50 GLY N N 50 108.819 108.819 114.131 -5.312 19212 705 1 4 . 1 1 50 50 GLY H H 50 7.329 7.329 7.918 -0.589 19212 706 1 4 . 1 1 51 51 ASP N N 51 121.337 121.337 118.686 2.651 19212 707 1 4 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.633 -0.072 19212 708 1 4 . 1 1 51 51 ASP H H 51 8.090 8.090 6.535 1.555 19212 709 1 4 . 1 1 52 52 TRP N N 52 119.227 119.227 119.614 -0.387 19212 710 1 4 . 1 1 52 52 TRP HA H 52 4.640 4.640 5.048 -0.408 19212 711 1 4 . 1 1 52 52 TRP H H 52 7.812 7.812 6.804 1.008 19212 712 1 4 . 1 1 53 53 ASN N N 53 116.695 116.695 120.069 -3.374 19212 713 1 4 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.683 0.067 19212 714 1 4 . 1 1 53 53 ASN H H 53 8.310 8.310 8.524 -0.214 19212 715 1 4 . 1 1 54 54 ASP N N 54 119.908 119.908 121.049 -1.141 19212 716 1 4 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.745 0.074 19212 717 1 4 . 1 1 54 54 ASP H H 54 8.090 8.090 8.473 -0.383 19212 718 1 4 . 1 1 55 55 ASP N N 55 121.524 121.524 119.838 1.686 19212 719 1 4 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.750 0.273 19212 720 1 4 . 1 1 55 55 ASP H H 55 8.520 8.520 8.521 -0.001 19212 721 1 4 . 1 1 56 56 ARG N N 56 119.970 119.970 120.913 -0.943 19212 722 1 4 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.884 0.407 19212 723 1 4 . 1 1 56 56 ARG H H 56 8.533 8.533 8.525 0.008 19212 724 1 4 . 1 1 57 57 CYS N N 57 119.286 119.286 122.270 -2.984 19212 725 1 4 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.422 0.434 19212 726 1 4 . 1 1 57 57 CYS H H 57 9.222 9.222 8.974 0.248 19212 727 1 4 . 1 1 58 58 THR N N 58 113.194 113.194 119.859 -6.665 19212 728 1 4 . 1 1 58 58 THR HA H 58 4.442 4.442 4.090 0.352 19212 729 1 4 . 1 1 58 58 THR H H 58 10.048 10.048 9.127 0.921 19212 730 1 4 . 1 1 59 59 GLY N N 59 111.765 111.765 108.475 3.290 19212 731 1 4 . 1 1 59 59 GLY H H 59 8.458 8.458 7.852 0.606 19212 732 1 4 . 1 1 60 60 GLN N N 60 114.377 114.377 116.800 -2.423 19212 733 1 4 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.099 0.199 19212 734 1 4 . 1 1 60 60 GLN H H 60 7.857 7.857 8.316 -0.459 19212 735 1 4 . 1 1 61 61 SER N N 61 110.770 110.770 114.874 -4.104 19212 736 1 4 . 1 1 61 61 SER HA H 61 3.880 3.880 4.242 -0.362 19212 737 1 4 . 1 1 61 61 SER H H 61 6.540 6.540 7.494 -0.954 19212 738 1 4 . 1 1 62 62 ALA N N 62 125.565 125.565 130.669 -5.104 19212 739 1 4 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.221 0.214 19212 740 1 4 . 1 1 62 62 ALA H H 62 8.936 8.936 8.695 0.241 19212 741 1 4 . 1 1 63 63 ASP N N 63 117.546 117.546 115.337 2.209 19212 742 1 4 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.669 0.226 19212 743 1 4 . 1 1 63 63 ASP H H 63 8.117 8.117 7.842 0.275 19212 744 1 4 . 1 1 64 64 CYS N N 64 121.338 121.338 118.262 3.076 19212 745 1 4 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.984 0.457 19212 746 1 4 . 1 1 64 64 CYS H H 64 8.868 8.868 8.383 0.485 19212 747 1 4 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.537 -0.176 19212 748 1 4 . 1 1 66 66 ARG N N 66 119.930 119.930 120.011 -0.081 19212 749 1 4 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.628 -0.242 19212 750 1 4 . 1 1 66 66 ARG H H 66 8.232 8.232 8.210 0.022 19212 751 1 4 . 1 1 67 67 ASN N N 67 124.642 124.642 119.452 5.190 19212 752 1 4 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.913 -0.129 19212 753 1 4 . 1 1 67 67 ASN H H 67 8.887 8.887 8.665 0.222 19212 754 1 4 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.254 0.059 19212 755 1 4 . 1 1 69 69 TRP N N 69 118.875 118.875 121.041 -2.166 19212 756 1 4 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.451 0.103 19212 757 1 4 . 1 1 69 69 TRP H H 69 7.941 7.941 7.585 0.356 19212 758 1 4 . 1 1 70 70 ASN N N 70 119.579 119.579 119.654 -0.075 19212 759 1 4 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.831 -0.124 19212 760 1 4 . 1 1 70 70 ASN H H 70 7.866 7.866 7.906 -0.040 19212 761 1 5 . 1 1 2 2 LYS N N 2 121.151 121.151 123.685 -2.534 19212 762 1 5 . 1 1 2 2 LYS H H 2 8.253 8.253 8.234 0.019 19212 763 1 5 . 1 1 3 3 GLU N N 3 121.214 121.214 121.158 0.056 19212 764 1 5 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.476 -0.154 19212 765 1 5 . 1 1 3 3 GLU H H 3 8.581 8.581 8.705 -0.124 19212 766 1 5 . 1 1 4 4 CYS N N 4 119.597 119.597 117.564 2.033 19212 767 1 5 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.989 -0.014 19212 768 1 5 . 1 1 4 4 CYS H H 4 8.028 8.028 7.696 0.332 19212 769 1 5 . 1 1 5 5 ASP N N 5 119.597 119.597 124.394 -4.797 19212 770 1 5 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.904 -0.087 19212 771 1 5 . 1 1 5 5 ASP H H 5 8.690 8.690 9.141 -0.451 19212 772 1 5 . 1 1 6 6 CYS N N 6 112.573 112.573 113.679 -1.106 19212 773 1 5 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.951 -0.020 19212 774 1 5 . 1 1 6 6 CYS H H 6 6.888 6.888 7.467 -0.579 19212 775 1 5 . 1 1 7 7 SER N N 7 119.349 119.349 115.680 3.669 19212 776 1 5 . 1 1 7 7 SER HA H 7 4.226 4.226 4.519 -0.293 19212 777 1 5 . 1 1 7 7 SER H H 7 9.584 9.584 8.559 1.025 19212 778 1 5 . 1 1 8 8 SER N N 8 115.557 115.557 117.484 -1.927 19212 779 1 5 . 1 1 8 8 SER HA H 8 5.137 5.137 4.779 0.358 19212 780 1 5 . 1 1 8 8 SER H H 8 7.776 7.776 7.812 -0.036 19212 781 1 5 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.464 0.095 19212 782 1 5 . 1 1 10 10 GLU N N 10 116.738 116.738 117.901 -1.163 19212 783 1 5 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.150 0.144 19212 784 1 5 . 1 1 10 10 GLU H H 10 8.165 8.165 8.334 -0.169 19212 785 1 5 . 1 1 11 11 ASN N N 11 120.592 120.592 119.080 1.512 19212 786 1 5 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.739 0.055 19212 787 1 5 . 1 1 11 11 ASN H H 11 7.175 7.175 7.987 -0.812 19212 788 1 5 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.372 0.332 19212 789 1 5 . 1 1 13 13 CYS N N 13 117.795 117.795 116.784 1.011 19212 790 1 5 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.246 0.402 19212 791 1 5 . 1 1 13 13 CYS H H 13 8.847 8.847 8.306 0.541 19212 792 1 5 . 1 1 14 14 CYS N N 14 112.262 112.262 116.714 -4.452 19212 793 1 5 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.977 0.079 19212 794 1 5 . 1 1 14 14 CYS H H 14 7.448 7.448 7.400 0.048 19212 795 1 5 . 1 1 15 15 ASP N N 15 121.027 121.027 124.743 -3.716 19212 796 1 5 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.569 0.001 19212 797 1 5 . 1 1 15 15 ASP H H 15 8.130 8.130 8.718 -0.588 19212 798 1 5 . 1 1 16 16 ALA N N 16 130.920 130.920 129.439 1.481 19212 799 1 5 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.051 0.097 19212 800 1 5 . 1 1 16 16 ALA H H 16 8.915 8.915 8.629 0.286 19212 801 1 5 . 1 1 17 17 ALA N N 17 117.732 117.732 122.031 -4.299 19212 802 1 5 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.034 0.327 19212 803 1 5 . 1 1 17 17 ALA H H 17 8.588 8.588 8.385 0.203 19212 804 1 5 . 1 1 18 18 THR N N 18 105.299 105.299 110.198 -4.899 19212 805 1 5 . 1 1 18 18 THR HA H 18 4.445 4.445 4.316 0.129 19212 806 1 5 . 1 1 18 18 THR H H 18 7.660 7.660 7.916 -0.256 19212 807 1 5 . 1 1 19 19 CYS N N 19 119.038 119.038 120.104 -1.066 19212 808 1 5 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.141 0.501 19212 809 1 5 . 1 1 19 19 CYS H H 19 8.520 8.520 8.150 0.370 19212 810 1 5 . 1 1 20 20 LYS N N 20 118.354 118.354 116.312 2.042 19212 811 1 5 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.801 0.144 19212 812 1 5 . 1 1 20 20 LYS H H 20 7.878 7.878 7.498 0.380 19212 813 1 5 . 1 1 21 21 LEU N N 21 120.405 120.405 120.861 -0.456 19212 814 1 5 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.453 -0.168 19212 815 1 5 . 1 1 21 21 LEU H H 21 9.127 9.127 8.620 0.507 19212 816 1 5 . 1 1 22 22 ARG N N 22 122.457 122.457 125.563 -3.106 19212 817 1 5 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.368 0.080 19212 818 1 5 . 1 1 22 22 ARG H H 22 8.403 8.403 8.207 0.196 19212 819 1 5 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.480 -0.091 19212 820 1 5 . 1 1 24 24 GLY N N 24 113.629 113.629 105.694 7.935 19212 821 1 5 . 1 1 24 24 GLY H H 24 8.752 8.752 8.360 0.392 19212 822 1 5 . 1 1 25 25 ALA N N 25 123.389 123.389 121.619 1.770 19212 823 1 5 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.141 0.399 19212 824 1 5 . 1 1 25 25 ALA H H 25 7.857 7.857 7.252 0.605 19212 825 1 5 . 1 1 26 26 GLN N N 26 117.396 117.396 121.457 -4.061 19212 826 1 5 . 1 1 26 26 GLN HA H 26 4.113 4.113 3.831 0.282 19212 827 1 5 . 1 1 26 26 GLN H H 26 8.745 8.745 8.379 0.366 19212 828 1 5 . 1 1 27 27 CYS N N 27 113.256 113.256 114.006 -0.750 19212 829 1 5 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.918 -0.363 19212 830 1 5 . 1 1 27 27 CYS H H 27 7.721 7.721 7.480 0.241 19212 831 1 5 . 1 1 28 28 GLY N N 28 104.864 104.864 107.774 -2.910 19212 832 1 5 . 1 1 28 28 GLY H H 28 9.086 9.086 8.885 0.201 19212 833 1 5 . 1 1 29 29 GLU N N 29 118.034 118.034 118.357 -0.323 19212 834 1 5 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.481 0.301 19212 835 1 5 . 1 1 29 29 GLU H H 29 7.762 7.762 7.697 0.065 19212 836 1 5 . 1 1 30 30 GLY N N 30 108.470 108.470 109.187 -0.717 19212 837 1 5 . 1 1 30 30 GLY H H 30 8.315 8.315 8.022 0.293 19212 838 1 5 . 1 1 31 31 LEU N N 31 120.903 120.903 121.264 -0.361 19212 839 1 5 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.427 -0.073 19212 840 1 5 . 1 1 31 31 LEU H H 31 8.895 8.895 8.439 0.456 19212 841 1 5 . 1 1 32 32 CYS N N 32 114.873 114.873 120.115 -5.242 19212 842 1 5 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.503 0.605 19212 843 1 5 . 1 1 32 32 CYS H H 32 8.376 8.376 8.576 -0.200 19212 844 1 5 . 1 1 33 33 CYS N N 33 121.151 121.151 122.353 -1.202 19212 845 1 5 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.443 -0.152 19212 846 1 5 . 1 1 33 33 CYS H H 33 7.291 7.291 8.017 -0.726 19212 847 1 5 . 1 1 34 34 GLU N N 34 128.487 128.487 125.207 3.280 19212 848 1 5 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.484 0.198 19212 849 1 5 . 1 1 34 34 GLU H H 34 9.652 9.652 8.742 0.910 19212 850 1 5 . 1 1 35 35 GLN N N 35 125.441 125.441 124.428 1.013 19212 851 1 5 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.996 0.003 19212 852 1 5 . 1 1 35 35 GLN H H 35 9.373 9.373 9.197 0.176 19212 853 1 5 . 1 1 36 36 CYS N N 36 105.424 105.424 114.186 -8.762 19212 854 1 5 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.228 0.573 19212 855 1 5 . 1 1 36 36 CYS H H 36 8.410 8.410 8.444 -0.034 19212 856 1 5 . 1 1 37 37 LYS N N 37 120.965 120.965 118.451 2.514 19212 857 1 5 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.503 0.200 19212 858 1 5 . 1 1 37 37 LYS H H 37 7.939 7.939 7.592 0.347 19212 859 1 5 . 1 1 38 38 PHE N N 38 119.722 119.722 120.380 -0.658 19212 860 1 5 . 1 1 38 38 PHE HA H 38 5.141 5.141 5.050 0.091 19212 861 1 5 . 1 1 38 38 PHE H H 38 8.192 8.192 8.452 -0.260 19212 862 1 5 . 1 1 39 39 SER N N 39 121.524 121.524 120.964 0.560 19212 863 1 5 . 1 1 39 39 SER HA H 39 4.274 4.274 4.371 -0.097 19212 864 1 5 . 1 1 39 39 SER H H 39 8.963 8.963 8.773 0.190 19212 865 1 5 . 1 1 40 40 ARG N N 40 121.711 121.711 119.439 2.272 19212 866 1 5 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.327 -0.226 19212 867 1 5 . 1 1 40 40 ARG H H 40 8.485 8.485 8.381 0.104 19212 868 1 5 . 1 1 41 41 ALA N N 41 123.576 123.576 121.963 1.613 19212 869 1 5 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.277 -0.553 19212 870 1 5 . 1 1 41 41 ALA H H 41 8.417 8.417 8.204 0.213 19212 871 1 5 . 1 1 42 42 GLY N N 42 110.397 110.397 108.193 2.204 19212 872 1 5 . 1 1 42 42 GLY H H 42 8.520 8.520 8.929 -0.409 19212 873 1 5 . 1 1 43 43 LYS N N 43 122.643 122.643 120.235 2.408 19212 874 1 5 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.514 -0.365 19212 875 1 5 . 1 1 43 43 LYS H H 43 7.441 7.441 7.340 0.101 19212 876 1 5 . 1 1 44 44 ILE N N 44 128.798 128.798 129.534 -0.736 19212 877 1 5 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.136 -0.014 19212 878 1 5 . 1 1 44 44 ILE H H 44 8.793 8.793 8.780 0.013 19212 879 1 5 . 1 1 45 45 CYS N N 45 123.700 123.700 124.842 -1.142 19212 880 1 5 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.730 0.442 19212 881 1 5 . 1 1 45 45 CYS H H 45 9.325 9.325 9.066 0.259 19212 882 1 5 . 1 1 46 46 ARG N N 46 123.265 123.265 118.359 4.906 19212 883 1 5 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.580 -0.138 19212 884 1 5 . 1 1 46 46 ARG H H 46 7.475 7.475 7.640 -0.165 19212 885 1 5 . 1 1 47 47 ILE N N 47 127.244 127.244 120.848 6.396 19212 886 1 5 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.207 0.047 19212 887 1 5 . 1 1 47 47 ILE H H 47 8.417 8.417 8.374 0.043 19212 888 1 5 . 1 1 48 48 ALA N N 48 130.660 130.660 129.612 1.048 19212 889 1 5 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.753 -0.507 19212 890 1 5 . 1 1 48 48 ALA H H 48 9.322 9.322 8.345 0.977 19212 891 1 5 . 1 1 49 49 ARG N N 49 120.352 120.352 124.486 -4.134 19212 892 1 5 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.288 0.119 19212 893 1 5 . 1 1 49 49 ARG H H 49 8.150 8.150 8.777 -0.627 19212 894 1 5 . 1 1 50 50 GLY N N 50 108.819 108.819 113.564 -4.745 19212 895 1 5 . 1 1 50 50 GLY H H 50 7.329 7.329 8.602 -1.273 19212 896 1 5 . 1 1 51 51 ASP N N 51 121.337 121.337 116.401 4.936 19212 897 1 5 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.310 0.251 19212 898 1 5 . 1 1 51 51 ASP H H 51 8.090 8.090 7.506 0.584 19212 899 1 5 . 1 1 52 52 TRP N N 52 119.227 119.227 120.573 -1.346 19212 900 1 5 . 1 1 52 52 TRP HA H 52 4.640 4.640 4.510 0.130 19212 901 1 5 . 1 1 52 52 TRP H H 52 7.812 7.812 6.782 1.030 19212 902 1 5 . 1 1 53 53 ASN N N 53 116.695 116.695 120.347 -3.652 19212 903 1 5 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.523 0.227 19212 904 1 5 . 1 1 53 53 ASN H H 53 8.310 8.310 8.591 -0.281 19212 905 1 5 . 1 1 54 54 ASP N N 54 119.908 119.908 120.871 -0.963 19212 906 1 5 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.626 0.193 19212 907 1 5 . 1 1 54 54 ASP H H 54 8.090 8.090 8.422 -0.332 19212 908 1 5 . 1 1 55 55 ASP N N 55 121.524 121.524 120.414 1.110 19212 909 1 5 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.859 0.164 19212 910 1 5 . 1 1 55 55 ASP H H 55 8.520 8.520 8.673 -0.153 19212 911 1 5 . 1 1 56 56 ARG N N 56 119.970 119.970 122.312 -2.342 19212 912 1 5 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.722 0.569 19212 913 1 5 . 1 1 56 56 ARG H H 56 8.533 8.533 8.500 0.033 19212 914 1 5 . 1 1 57 57 CYS N N 57 119.286 119.286 123.781 -4.495 19212 915 1 5 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.337 0.519 19212 916 1 5 . 1 1 57 57 CYS H H 57 9.222 9.222 8.747 0.475 19212 917 1 5 . 1 1 58 58 THR N N 58 113.194 113.194 121.479 -8.285 19212 918 1 5 . 1 1 58 58 THR HA H 58 4.442 4.442 4.090 0.352 19212 919 1 5 . 1 1 58 58 THR H H 58 10.048 10.048 9.007 1.041 19212 920 1 5 . 1 1 59 59 GLY N N 59 111.765 111.765 109.025 2.740 19212 921 1 5 . 1 1 59 59 GLY H H 59 8.458 8.458 7.518 0.940 19212 922 1 5 . 1 1 60 60 GLN N N 60 114.377 114.377 118.041 -3.664 19212 923 1 5 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.321 -0.023 19212 924 1 5 . 1 1 60 60 GLN H H 60 7.857 7.857 8.121 -0.264 19212 925 1 5 . 1 1 61 61 SER N N 61 110.770 110.770 115.281 -4.511 19212 926 1 5 . 1 1 61 61 SER HA H 61 3.880 3.880 4.119 -0.239 19212 927 1 5 . 1 1 61 61 SER H H 61 6.540 6.540 7.767 -1.227 19212 928 1 5 . 1 1 62 62 ALA N N 62 125.565 125.565 129.861 -4.296 19212 929 1 5 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.140 0.295 19212 930 1 5 . 1 1 62 62 ALA H H 62 8.936 8.936 8.453 0.483 19212 931 1 5 . 1 1 63 63 ASP N N 63 117.546 117.546 117.534 0.012 19212 932 1 5 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.661 0.234 19212 933 1 5 . 1 1 63 63 ASP H H 63 8.117 8.117 7.874 0.243 19212 934 1 5 . 1 1 64 64 CYS N N 64 121.338 121.338 119.005 2.333 19212 935 1 5 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.736 0.705 19212 936 1 5 . 1 1 64 64 CYS H H 64 8.868 8.868 8.497 0.371 19212 937 1 5 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.503 -0.142 19212 938 1 5 . 1 1 66 66 ARG N N 66 119.930 119.930 121.245 -1.315 19212 939 1 5 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.716 -0.330 19212 940 1 5 . 1 1 66 66 ARG H H 66 8.232 8.232 8.221 0.011 19212 941 1 5 . 1 1 67 67 ASN N N 67 124.642 124.642 119.178 5.464 19212 942 1 5 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.431 0.353 19212 943 1 5 . 1 1 67 67 ASN H H 67 8.887 8.887 8.290 0.597 19212 944 1 5 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.324 -0.011 19212 945 1 5 . 1 1 69 69 TRP N N 69 118.875 118.875 116.535 2.340 19212 946 1 5 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.631 -0.077 19212 947 1 5 . 1 1 69 69 TRP H H 69 7.941 7.941 7.074 0.867 19212 948 1 5 . 1 1 70 70 ASN N N 70 119.579 119.579 117.480 2.099 19212 949 1 5 . 1 1 70 70 ASN HA H 70 4.707 4.707 3.851 0.856 19212 950 1 5 . 1 1 70 70 ASN H H 70 7.866 7.866 7.160 0.706 19212 951 1 6 . 1 1 2 2 LYS N N 2 121.151 121.151 121.913 -0.762 19212 952 1 6 . 1 1 2 2 LYS H H 2 8.253 8.253 8.395 -0.142 19212 953 1 6 . 1 1 3 3 GLU N N 3 121.214 121.214 119.189 2.025 19212 954 1 6 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.506 -0.184 19212 955 1 6 . 1 1 3 3 GLU H H 3 8.581 8.581 8.092 0.489 19212 956 1 6 . 1 1 4 4 CYS N N 4 119.597 119.597 118.550 1.047 19212 957 1 6 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.996 -0.021 19212 958 1 6 . 1 1 4 4 CYS H H 4 8.028 8.028 8.242 -0.214 19212 959 1 6 . 1 1 5 5 ASP N N 5 119.597 119.597 125.710 -6.113 19212 960 1 6 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.825 -0.008 19212 961 1 6 . 1 1 5 5 ASP H H 5 8.690 8.690 8.877 -0.187 19212 962 1 6 . 1 1 6 6 CYS N N 6 112.573 112.573 114.344 -1.771 19212 963 1 6 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.905 0.026 19212 964 1 6 . 1 1 6 6 CYS H H 6 6.888 6.888 7.349 -0.461 19212 965 1 6 . 1 1 7 7 SER N N 7 119.349 119.349 117.297 2.052 19212 966 1 6 . 1 1 7 7 SER HA H 7 4.226 4.226 4.439 -0.213 19212 967 1 6 . 1 1 7 7 SER H H 7 9.584 9.584 8.595 0.989 19212 968 1 6 . 1 1 8 8 SER N N 8 115.557 115.557 117.707 -2.150 19212 969 1 6 . 1 1 8 8 SER HA H 8 5.137 5.137 4.866 0.271 19212 970 1 6 . 1 1 8 8 SER H H 8 7.776 7.776 7.821 -0.045 19212 971 1 6 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.484 0.075 19212 972 1 6 . 1 1 10 10 GLU N N 10 116.738 116.738 118.458 -1.720 19212 973 1 6 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.319 -0.025 19212 974 1 6 . 1 1 10 10 GLU H H 10 8.165 8.165 8.092 0.073 19212 975 1 6 . 1 1 11 11 ASN N N 11 120.592 120.592 119.068 1.524 19212 976 1 6 . 1 1 11 11 ASN HA H 11 4.794 4.794 5.013 -0.219 19212 977 1 6 . 1 1 11 11 ASN H H 11 7.175 7.175 7.512 -0.337 19212 978 1 6 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.543 0.161 19212 979 1 6 . 1 1 13 13 CYS N N 13 117.795 117.795 117.262 0.533 19212 980 1 6 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.483 0.165 19212 981 1 6 . 1 1 13 13 CYS H H 13 8.847 8.847 7.944 0.903 19212 982 1 6 . 1 1 14 14 CYS N N 14 112.262 112.262 116.980 -4.718 19212 983 1 6 . 1 1 14 14 CYS HA H 14 5.056 5.056 5.007 0.049 19212 984 1 6 . 1 1 14 14 CYS H H 14 7.448 7.448 7.487 -0.039 19212 985 1 6 . 1 1 15 15 ASP N N 15 121.027 121.027 123.562 -2.535 19212 986 1 6 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.453 0.117 19212 987 1 6 . 1 1 15 15 ASP H H 15 8.130 8.130 8.694 -0.564 19212 988 1 6 . 1 1 16 16 ALA N N 16 130.920 130.920 130.317 0.603 19212 989 1 6 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.107 0.041 19212 990 1 6 . 1 1 16 16 ALA H H 16 8.915 8.915 8.616 0.299 19212 991 1 6 . 1 1 17 17 ALA N N 17 117.732 117.732 121.898 -4.166 19212 992 1 6 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.059 0.302 19212 993 1 6 . 1 1 17 17 ALA H H 17 8.588 8.588 8.246 0.342 19212 994 1 6 . 1 1 18 18 THR N N 18 105.299 105.299 108.499 -3.200 19212 995 1 6 . 1 1 18 18 THR HA H 18 4.445 4.445 4.201 0.244 19212 996 1 6 . 1 1 18 18 THR H H 18 7.660 7.660 7.683 -0.023 19212 997 1 6 . 1 1 19 19 CYS N N 19 119.038 119.038 121.357 -2.319 19212 998 1 6 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.117 0.525 19212 999 1 6 . 1 1 19 19 CYS H H 19 8.520 8.520 8.371 0.149 19212 1000 1 6 . 1 1 20 20 LYS N N 20 118.354 118.354 117.095 1.259 19212 1001 1 6 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.676 0.269 19212 1002 1 6 . 1 1 20 20 LYS H H 20 7.878 7.878 7.498 0.380 19212 1003 1 6 . 1 1 21 21 LEU N N 21 120.405 120.405 120.912 -0.507 19212 1004 1 6 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.323 -0.038 19212 1005 1 6 . 1 1 21 21 LEU H H 21 9.127 9.127 8.561 0.566 19212 1006 1 6 . 1 1 22 22 ARG N N 22 122.457 122.457 126.454 -3.997 19212 1007 1 6 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.397 0.051 19212 1008 1 6 . 1 1 22 22 ARG H H 22 8.403 8.403 8.091 0.312 19212 1009 1 6 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.528 -0.139 19212 1010 1 6 . 1 1 24 24 GLY N N 24 113.629 113.629 106.136 7.493 19212 1011 1 6 . 1 1 24 24 GLY H H 24 8.752 8.752 8.249 0.503 19212 1012 1 6 . 1 1 25 25 ALA N N 25 123.389 123.389 121.444 1.945 19212 1013 1 6 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.377 0.163 19212 1014 1 6 . 1 1 25 25 ALA H H 25 7.857 7.857 7.477 0.380 19212 1015 1 6 . 1 1 26 26 GLN N N 26 117.396 117.396 120.190 -2.794 19212 1016 1 6 . 1 1 26 26 GLN HA H 26 4.113 4.113 3.993 0.120 19212 1017 1 6 . 1 1 26 26 GLN H H 26 8.745 8.745 8.404 0.341 19212 1018 1 6 . 1 1 27 27 CYS N N 27 113.256 113.256 115.114 -1.858 19212 1019 1 6 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.669 -0.114 19212 1020 1 6 . 1 1 27 27 CYS H H 27 7.721 7.721 7.022 0.699 19212 1021 1 6 . 1 1 28 28 GLY N N 28 104.864 104.864 109.559 -4.695 19212 1022 1 6 . 1 1 28 28 GLY H H 28 9.086 9.086 8.973 0.113 19212 1023 1 6 . 1 1 29 29 GLU N N 29 118.034 118.034 117.678 0.356 19212 1024 1 6 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.486 0.296 19212 1025 1 6 . 1 1 29 29 GLU H H 29 7.762 7.762 7.615 0.147 19212 1026 1 6 . 1 1 30 30 GLY N N 30 108.470 108.470 109.225 -0.755 19212 1027 1 6 . 1 1 30 30 GLY H H 30 8.315 8.315 8.194 0.121 19212 1028 1 6 . 1 1 31 31 LEU N N 31 120.903 120.903 121.091 -0.188 19212 1029 1 6 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.253 0.101 19212 1030 1 6 . 1 1 31 31 LEU H H 31 8.895 8.895 8.760 0.135 19212 1031 1 6 . 1 1 32 32 CYS N N 32 114.873 114.873 115.110 -0.237 19212 1032 1 6 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.635 0.473 19212 1033 1 6 . 1 1 32 32 CYS H H 32 8.376 8.376 8.917 -0.541 19212 1034 1 6 . 1 1 33 33 CYS N N 33 121.151 121.151 120.854 0.297 19212 1035 1 6 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.518 -0.227 19212 1036 1 6 . 1 1 33 33 CYS H H 33 7.291 7.291 7.864 -0.573 19212 1037 1 6 . 1 1 34 34 GLU N N 34 128.487 128.487 125.937 2.550 19212 1038 1 6 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.597 0.085 19212 1039 1 6 . 1 1 34 34 GLU H H 34 9.652 9.652 8.277 1.375 19212 1040 1 6 . 1 1 35 35 GLN N N 35 125.441 125.441 122.768 2.673 19212 1041 1 6 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.961 0.038 19212 1042 1 6 . 1 1 35 35 GLN H H 35 9.373 9.373 8.968 0.405 19212 1043 1 6 . 1 1 36 36 CYS N N 36 105.424 105.424 115.541 -10.117 19212 1044 1 6 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.233 0.568 19212 1045 1 6 . 1 1 36 36 CYS H H 36 8.410 8.410 8.429 -0.019 19212 1046 1 6 . 1 1 37 37 LYS N N 37 120.965 120.965 116.931 4.034 19212 1047 1 6 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.325 0.378 19212 1048 1 6 . 1 1 37 37 LYS H H 37 7.939 7.939 7.339 0.600 19212 1049 1 6 . 1 1 38 38 PHE N N 38 119.722 119.722 121.222 -1.500 19212 1050 1 6 . 1 1 38 38 PHE HA H 38 5.141 5.141 5.158 -0.017 19212 1051 1 6 . 1 1 38 38 PHE H H 38 8.192 8.192 8.331 -0.139 19212 1052 1 6 . 1 1 39 39 SER N N 39 121.524 121.524 120.600 0.924 19212 1053 1 6 . 1 1 39 39 SER HA H 39 4.274 4.274 4.387 -0.113 19212 1054 1 6 . 1 1 39 39 SER H H 39 8.963 8.963 8.654 0.309 19212 1055 1 6 . 1 1 40 40 ARG N N 40 121.711 121.711 117.101 4.610 19212 1056 1 6 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.551 -0.450 19212 1057 1 6 . 1 1 40 40 ARG H H 40 8.485 8.485 8.296 0.189 19212 1058 1 6 . 1 1 41 41 ALA N N 41 123.576 123.576 122.397 1.179 19212 1059 1 6 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.461 -0.737 19212 1060 1 6 . 1 1 41 41 ALA H H 41 8.417 8.417 8.275 0.142 19212 1061 1 6 . 1 1 42 42 GLY N N 42 110.397 110.397 107.779 2.618 19212 1062 1 6 . 1 1 42 42 GLY H H 42 8.520 8.520 8.480 0.040 19212 1063 1 6 . 1 1 43 43 LYS N N 43 122.643 122.643 120.159 2.484 19212 1064 1 6 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.512 -0.363 19212 1065 1 6 . 1 1 43 43 LYS H H 43 7.441 7.441 7.326 0.115 19212 1066 1 6 . 1 1 44 44 ILE N N 44 128.798 128.798 128.896 -0.098 19212 1067 1 6 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.260 -0.138 19212 1068 1 6 . 1 1 44 44 ILE H H 44 8.793 8.793 8.719 0.074 19212 1069 1 6 . 1 1 45 45 CYS N N 45 123.700 123.700 126.190 -2.490 19212 1070 1 6 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.388 0.784 19212 1071 1 6 . 1 1 45 45 CYS H H 45 9.325 9.325 8.884 0.441 19212 1072 1 6 . 1 1 46 46 ARG N N 46 123.265 123.265 117.255 6.010 19212 1073 1 6 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.628 -0.186 19212 1074 1 6 . 1 1 46 46 ARG H H 46 7.475 7.475 7.399 0.076 19212 1075 1 6 . 1 1 47 47 ILE N N 47 127.244 127.244 118.720 8.524 19212 1076 1 6 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.224 0.030 19212 1077 1 6 . 1 1 47 47 ILE H H 47 8.417 8.417 8.304 0.113 19212 1078 1 6 . 1 1 48 48 ALA N N 48 130.660 130.660 127.459 3.201 19212 1079 1 6 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.661 -0.416 19212 1080 1 6 . 1 1 48 48 ALA H H 48 9.322 9.322 8.421 0.900 19212 1081 1 6 . 1 1 49 49 ARG N N 49 120.352 120.352 124.073 -3.721 19212 1082 1 6 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.510 -0.103 19212 1083 1 6 . 1 1 49 49 ARG H H 49 8.150 8.150 9.010 -0.860 19212 1084 1 6 . 1 1 50 50 GLY N N 50 108.819 108.819 114.084 -5.265 19212 1085 1 6 . 1 1 50 50 GLY H H 50 7.329 7.329 8.340 -1.011 19212 1086 1 6 . 1 1 51 51 ASP N N 51 121.337 121.337 118.405 2.932 19212 1087 1 6 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.422 0.139 19212 1088 1 6 . 1 1 51 51 ASP H H 51 8.090 8.090 6.460 1.630 19212 1089 1 6 . 1 1 52 52 TRP N N 52 119.227 119.227 119.947 -0.720 19212 1090 1 6 . 1 1 52 52 TRP HA H 52 4.640 4.640 5.075 -0.435 19212 1091 1 6 . 1 1 52 52 TRP H H 52 7.812 7.812 7.544 0.268 19212 1092 1 6 . 1 1 53 53 ASN N N 53 116.695 116.695 118.109 -1.414 19212 1093 1 6 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.966 -0.216 19212 1094 1 6 . 1 1 53 53 ASN H H 53 8.310 8.310 8.352 -0.042 19212 1095 1 6 . 1 1 54 54 ASP N N 54 119.908 119.908 119.618 0.290 19212 1096 1 6 . 1 1 54 54 ASP HA H 54 4.819 4.819 5.054 -0.235 19212 1097 1 6 . 1 1 54 54 ASP H H 54 8.090 8.090 8.488 -0.398 19212 1098 1 6 . 1 1 55 55 ASP N N 55 121.524 121.524 120.416 1.108 19212 1099 1 6 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.855 0.168 19212 1100 1 6 . 1 1 55 55 ASP H H 55 8.520 8.520 8.334 0.186 19212 1101 1 6 . 1 1 56 56 ARG N N 56 119.970 119.970 122.486 -2.516 19212 1102 1 6 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.835 0.456 19212 1103 1 6 . 1 1 56 56 ARG H H 56 8.533 8.533 8.452 0.081 19212 1104 1 6 . 1 1 57 57 CYS N N 57 119.286 119.286 122.352 -3.066 19212 1105 1 6 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.414 0.442 19212 1106 1 6 . 1 1 57 57 CYS H H 57 9.222 9.222 8.719 0.503 19212 1107 1 6 . 1 1 58 58 THR N N 58 113.194 113.194 116.478 -3.284 19212 1108 1 6 . 1 1 58 58 THR HA H 58 4.442 4.442 4.125 0.317 19212 1109 1 6 . 1 1 58 58 THR H H 58 10.048 10.048 8.953 1.095 19212 1110 1 6 . 1 1 59 59 GLY N N 59 111.765 111.765 108.024 3.741 19212 1111 1 6 . 1 1 59 59 GLY H H 59 8.458 8.458 8.319 0.139 19212 1112 1 6 . 1 1 60 60 GLN N N 60 114.377 114.377 117.592 -3.215 19212 1113 1 6 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.208 0.090 19212 1114 1 6 . 1 1 60 60 GLN H H 60 7.857 7.857 8.140 -0.283 19212 1115 1 6 . 1 1 61 61 SER N N 61 110.770 110.770 115.057 -4.287 19212 1116 1 6 . 1 1 61 61 SER HA H 61 3.880 3.880 4.255 -0.375 19212 1117 1 6 . 1 1 61 61 SER H H 61 6.540 6.540 7.421 -0.881 19212 1118 1 6 . 1 1 62 62 ALA N N 62 125.565 125.565 128.597 -3.032 19212 1119 1 6 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.486 -0.051 19212 1120 1 6 . 1 1 62 62 ALA H H 62 8.936 8.936 8.893 0.043 19212 1121 1 6 . 1 1 63 63 ASP N N 63 117.546 117.546 115.884 1.662 19212 1122 1 6 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.676 0.219 19212 1123 1 6 . 1 1 63 63 ASP H H 63 8.117 8.117 8.078 0.039 19212 1124 1 6 . 1 1 64 64 CYS N N 64 121.338 121.338 118.766 2.572 19212 1125 1 6 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.946 0.495 19212 1126 1 6 . 1 1 64 64 CYS H H 64 8.868 8.868 8.316 0.552 19212 1127 1 6 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.664 -0.303 19212 1128 1 6 . 1 1 66 66 ARG N N 66 119.930 119.930 118.872 1.058 19212 1129 1 6 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.477 -0.091 19212 1130 1 6 . 1 1 66 66 ARG H H 66 8.232 8.232 8.061 0.171 19212 1131 1 6 . 1 1 67 67 ASN N N 67 124.642 124.642 120.598 4.044 19212 1132 1 6 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.594 0.190 19212 1133 1 6 . 1 1 67 67 ASN H H 67 8.887 8.887 8.494 0.393 19212 1134 1 6 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.057 0.256 19212 1135 1 6 . 1 1 69 69 TRP N N 69 118.875 118.875 118.278 0.597 19212 1136 1 6 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.713 -0.159 19212 1137 1 6 . 1 1 69 69 TRP H H 69 7.941 7.941 6.719 1.222 19212 1138 1 6 . 1 1 70 70 ASN N N 70 119.579 119.579 118.534 1.045 19212 1139 1 6 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.793 -0.086 19212 1140 1 6 . 1 1 70 70 ASN H H 70 7.866 7.866 8.066 -0.200 19212 1141 1 7 . 1 1 2 2 LYS N N 2 121.151 121.151 120.665 0.486 19212 1142 1 7 . 1 1 2 2 LYS H H 2 8.253 8.253 8.278 -0.025 19212 1143 1 7 . 1 1 3 3 GLU N N 3 121.214 121.214 121.163 0.051 19212 1144 1 7 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.288 0.034 19212 1145 1 7 . 1 1 3 3 GLU H H 3 8.581 8.581 8.755 -0.174 19212 1146 1 7 . 1 1 4 4 CYS N N 4 119.597 119.597 117.892 1.705 19212 1147 1 7 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.819 0.156 19212 1148 1 7 . 1 1 4 4 CYS H H 4 8.028 8.028 7.750 0.278 19212 1149 1 7 . 1 1 5 5 ASP N N 5 119.597 119.597 125.331 -5.734 19212 1150 1 7 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.814 0.003 19212 1151 1 7 . 1 1 5 5 ASP H H 5 8.690 8.690 9.277 -0.587 19212 1152 1 7 . 1 1 6 6 CYS N N 6 112.573 112.573 112.176 0.397 19212 1153 1 7 . 1 1 6 6 CYS HA H 6 4.931 4.931 5.264 -0.333 19212 1154 1 7 . 1 1 6 6 CYS H H 6 6.888 6.888 7.370 -0.482 19212 1155 1 7 . 1 1 7 7 SER N N 7 119.349 119.349 114.716 4.633 19212 1156 1 7 . 1 1 7 7 SER HA H 7 4.226 4.226 4.556 -0.330 19212 1157 1 7 . 1 1 7 7 SER H H 7 9.584 9.584 8.912 0.672 19212 1158 1 7 . 1 1 8 8 SER N N 8 115.557 115.557 117.872 -2.315 19212 1159 1 7 . 1 1 8 8 SER HA H 8 5.137 5.137 4.940 0.197 19212 1160 1 7 . 1 1 8 8 SER H H 8 7.776 7.776 7.842 -0.066 19212 1161 1 7 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.577 -0.018 19212 1162 1 7 . 1 1 10 10 GLU N N 10 116.738 116.738 116.972 -0.234 19212 1163 1 7 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.424 -0.130 19212 1164 1 7 . 1 1 10 10 GLU H H 10 8.165 8.165 8.157 0.008 19212 1165 1 7 . 1 1 11 11 ASN N N 11 120.592 120.592 119.377 1.215 19212 1166 1 7 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.905 -0.111 19212 1167 1 7 . 1 1 11 11 ASN H H 11 7.175 7.175 7.480 -0.305 19212 1168 1 7 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.442 0.262 19212 1169 1 7 . 1 1 13 13 CYS N N 13 117.795 117.795 116.491 1.304 19212 1170 1 7 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.274 0.374 19212 1171 1 7 . 1 1 13 13 CYS H H 13 8.847 8.847 8.396 0.451 19212 1172 1 7 . 1 1 14 14 CYS N N 14 112.262 112.262 116.398 -4.136 19212 1173 1 7 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.957 0.099 19212 1174 1 7 . 1 1 14 14 CYS H H 14 7.448 7.448 7.364 0.084 19212 1175 1 7 . 1 1 15 15 ASP N N 15 121.027 121.027 125.039 -4.012 19212 1176 1 7 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.497 0.073 19212 1177 1 7 . 1 1 15 15 ASP H H 15 8.130 8.130 8.905 -0.775 19212 1178 1 7 . 1 1 16 16 ALA N N 16 130.920 130.920 129.805 1.115 19212 1179 1 7 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.098 0.050 19212 1180 1 7 . 1 1 16 16 ALA H H 16 8.915 8.915 8.630 0.285 19212 1181 1 7 . 1 1 17 17 ALA N N 17 117.732 117.732 122.247 -4.515 19212 1182 1 7 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.032 0.329 19212 1183 1 7 . 1 1 17 17 ALA H H 17 8.588 8.588 8.436 0.152 19212 1184 1 7 . 1 1 18 18 THR N N 18 105.299 105.299 107.525 -2.226 19212 1185 1 7 . 1 1 18 18 THR HA H 18 4.445 4.445 4.287 0.158 19212 1186 1 7 . 1 1 18 18 THR H H 18 7.660 7.660 7.567 0.093 19212 1187 1 7 . 1 1 19 19 CYS N N 19 119.038 119.038 121.324 -2.286 19212 1188 1 7 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.127 0.515 19212 1189 1 7 . 1 1 19 19 CYS H H 19 8.520 8.520 8.255 0.265 19212 1190 1 7 . 1 1 20 20 LYS N N 20 118.354 118.354 117.110 1.244 19212 1191 1 7 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.707 0.238 19212 1192 1 7 . 1 1 20 20 LYS H H 20 7.878 7.878 7.503 0.375 19212 1193 1 7 . 1 1 21 21 LEU N N 21 120.405 120.405 121.462 -1.057 19212 1194 1 7 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.484 -0.199 19212 1195 1 7 . 1 1 21 21 LEU H H 21 9.127 9.127 8.692 0.435 19212 1196 1 7 . 1 1 22 22 ARG N N 22 122.457 122.457 126.207 -3.750 19212 1197 1 7 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.310 0.138 19212 1198 1 7 . 1 1 22 22 ARG H H 22 8.403 8.403 8.179 0.224 19212 1199 1 7 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.467 -0.078 19212 1200 1 7 . 1 1 24 24 GLY N N 24 113.629 113.629 106.344 7.285 19212 1201 1 7 . 1 1 24 24 GLY H H 24 8.752 8.752 8.333 0.419 19212 1202 1 7 . 1 1 25 25 ALA N N 25 123.389 123.389 121.992 1.397 19212 1203 1 7 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.099 0.441 19212 1204 1 7 . 1 1 25 25 ALA H H 25 7.857 7.857 7.518 0.339 19212 1205 1 7 . 1 1 26 26 GLN N N 26 117.396 117.396 121.313 -3.917 19212 1206 1 7 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.007 0.106 19212 1207 1 7 . 1 1 26 26 GLN H H 26 8.745 8.745 8.326 0.419 19212 1208 1 7 . 1 1 27 27 CYS N N 27 113.256 113.256 111.386 1.870 19212 1209 1 7 . 1 1 27 27 CYS HA H 27 4.555 4.555 5.089 -0.534 19212 1210 1 7 . 1 1 27 27 CYS H H 27 7.721 7.721 7.516 0.205 19212 1211 1 7 . 1 1 28 28 GLY N N 28 104.864 104.864 108.577 -3.713 19212 1212 1 7 . 1 1 28 28 GLY H H 28 9.086 9.086 8.674 0.412 19212 1213 1 7 . 1 1 29 29 GLU N N 29 118.034 118.034 117.731 0.303 19212 1214 1 7 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.582 0.200 19212 1215 1 7 . 1 1 29 29 GLU H H 29 7.762 7.762 7.635 0.127 19212 1216 1 7 . 1 1 30 30 GLY N N 30 108.470 108.470 107.206 1.264 19212 1217 1 7 . 1 1 30 30 GLY H H 30 8.315 8.315 8.133 0.182 19212 1218 1 7 . 1 1 31 31 LEU N N 31 120.903 120.903 120.777 0.126 19212 1219 1 7 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.294 0.060 19212 1220 1 7 . 1 1 31 31 LEU H H 31 8.895 8.895 8.270 0.625 19212 1221 1 7 . 1 1 32 32 CYS N N 32 114.873 114.873 115.935 -1.062 19212 1222 1 7 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.668 0.440 19212 1223 1 7 . 1 1 32 32 CYS H H 32 8.376 8.376 8.333 0.043 19212 1224 1 7 . 1 1 33 33 CYS N N 33 121.151 121.151 122.010 -0.859 19212 1225 1 7 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.552 -0.261 19212 1226 1 7 . 1 1 33 33 CYS H H 33 7.291 7.291 8.202 -0.911 19212 1227 1 7 . 1 1 34 34 GLU N N 34 128.487 128.487 127.999 0.488 19212 1228 1 7 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.542 0.140 19212 1229 1 7 . 1 1 34 34 GLU H H 34 9.652 9.652 8.383 1.269 19212 1230 1 7 . 1 1 35 35 GLN N N 35 125.441 125.441 121.530 3.911 19212 1231 1 7 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.967 0.032 19212 1232 1 7 . 1 1 35 35 GLN H H 35 9.373 9.373 9.150 0.223 19212 1233 1 7 . 1 1 36 36 CYS N N 36 105.424 105.424 113.105 -7.681 19212 1234 1 7 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.135 0.666 19212 1235 1 7 . 1 1 36 36 CYS H H 36 8.410 8.410 8.465 -0.055 19212 1236 1 7 . 1 1 37 37 LYS N N 37 120.965 120.965 118.161 2.804 19212 1237 1 7 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.403 0.300 19212 1238 1 7 . 1 1 37 37 LYS H H 37 7.939 7.939 7.876 0.063 19212 1239 1 7 . 1 1 38 38 PHE N N 38 119.722 119.722 120.216 -0.494 19212 1240 1 7 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.842 0.299 19212 1241 1 7 . 1 1 38 38 PHE H H 38 8.192 8.192 8.393 -0.201 19212 1242 1 7 . 1 1 39 39 SER N N 39 121.524 121.524 121.113 0.411 19212 1243 1 7 . 1 1 39 39 SER HA H 39 4.274 4.274 4.387 -0.113 19212 1244 1 7 . 1 1 39 39 SER H H 39 8.963 8.963 9.233 -0.270 19212 1245 1 7 . 1 1 40 40 ARG N N 40 121.711 121.711 118.447 3.264 19212 1246 1 7 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.548 -0.447 19212 1247 1 7 . 1 1 40 40 ARG H H 40 8.485 8.485 8.172 0.313 19212 1248 1 7 . 1 1 41 41 ALA N N 41 123.576 123.576 123.256 0.320 19212 1249 1 7 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.409 -0.685 19212 1250 1 7 . 1 1 41 41 ALA H H 41 8.417 8.417 8.369 0.048 19212 1251 1 7 . 1 1 42 42 GLY N N 42 110.397 110.397 107.889 2.508 19212 1252 1 7 . 1 1 42 42 GLY H H 42 8.520 8.520 8.598 -0.078 19212 1253 1 7 . 1 1 43 43 LYS N N 43 122.643 122.643 120.382 2.261 19212 1254 1 7 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.512 -0.363 19212 1255 1 7 . 1 1 43 43 LYS H H 43 7.441 7.441 7.294 0.147 19212 1256 1 7 . 1 1 44 44 ILE N N 44 128.798 128.798 129.315 -0.517 19212 1257 1 7 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.125 -0.003 19212 1258 1 7 . 1 1 44 44 ILE H H 44 8.793 8.793 8.732 0.061 19212 1259 1 7 . 1 1 45 45 CYS N N 45 123.700 123.700 125.726 -2.026 19212 1260 1 7 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.391 0.781 19212 1261 1 7 . 1 1 45 45 CYS H H 45 9.325 9.325 8.819 0.506 19212 1262 1 7 . 1 1 46 46 ARG N N 46 123.265 123.265 117.224 6.041 19212 1263 1 7 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.635 -0.193 19212 1264 1 7 . 1 1 46 46 ARG H H 46 7.475 7.475 7.435 0.040 19212 1265 1 7 . 1 1 47 47 ILE N N 47 127.244 127.244 117.961 9.283 19212 1266 1 7 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.345 -0.091 19212 1267 1 7 . 1 1 47 47 ILE H H 47 8.417 8.417 8.265 0.152 19212 1268 1 7 . 1 1 48 48 ALA N N 48 130.660 130.660 123.307 7.353 19212 1269 1 7 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.908 -0.663 19212 1270 1 7 . 1 1 48 48 ALA H H 48 9.322 9.322 8.246 1.076 19212 1271 1 7 . 1 1 49 49 ARG N N 49 120.352 120.352 119.876 0.476 19212 1272 1 7 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.319 0.088 19212 1273 1 7 . 1 1 49 49 ARG H H 49 8.150 8.150 7.761 0.389 19212 1274 1 7 . 1 1 50 50 GLY N N 50 108.819 108.819 107.687 1.132 19212 1275 1 7 . 1 1 50 50 GLY H H 50 7.329 7.329 6.881 0.448 19212 1276 1 7 . 1 1 51 51 ASP N N 51 121.337 121.337 120.642 0.695 19212 1277 1 7 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.521 0.040 19212 1278 1 7 . 1 1 51 51 ASP H H 51 8.090 8.090 8.079 0.011 19212 1279 1 7 . 1 1 52 52 TRP N N 52 119.227 119.227 121.176 -1.949 19212 1280 1 7 . 1 1 52 52 TRP HA H 52 4.640 4.640 5.035 -0.395 19212 1281 1 7 . 1 1 52 52 TRP H H 52 7.812 7.812 7.329 0.483 19212 1282 1 7 . 1 1 53 53 ASN N N 53 116.695 116.695 119.780 -3.085 19212 1283 1 7 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.488 0.262 19212 1284 1 7 . 1 1 53 53 ASN H H 53 8.310 8.310 8.563 -0.253 19212 1285 1 7 . 1 1 54 54 ASP N N 54 119.908 119.908 119.348 0.560 19212 1286 1 7 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.561 0.258 19212 1287 1 7 . 1 1 54 54 ASP H H 54 8.090 8.090 8.436 -0.346 19212 1288 1 7 . 1 1 55 55 ASP N N 55 121.524 121.524 120.078 1.446 19212 1289 1 7 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.922 0.101 19212 1290 1 7 . 1 1 55 55 ASP H H 55 8.520 8.520 8.265 0.255 19212 1291 1 7 . 1 1 56 56 ARG N N 56 119.970 119.970 121.996 -2.026 19212 1292 1 7 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.686 0.605 19212 1293 1 7 . 1 1 56 56 ARG H H 56 8.533 8.533 8.482 0.051 19212 1294 1 7 . 1 1 57 57 CYS N N 57 119.286 119.286 120.778 -1.492 19212 1295 1 7 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.567 0.289 19212 1296 1 7 . 1 1 57 57 CYS H H 57 9.222 9.222 8.781 0.441 19212 1297 1 7 . 1 1 58 58 THR N N 58 113.194 113.194 116.232 -3.038 19212 1298 1 7 . 1 1 58 58 THR HA H 58 4.442 4.442 4.126 0.316 19212 1299 1 7 . 1 1 58 58 THR H H 58 10.048 10.048 9.058 0.990 19212 1300 1 7 . 1 1 59 59 GLY N N 59 111.765 111.765 108.630 3.135 19212 1301 1 7 . 1 1 59 59 GLY H H 59 8.458 8.458 8.214 0.244 19212 1302 1 7 . 1 1 60 60 GLN N N 60 114.377 114.377 116.287 -1.910 19212 1303 1 7 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.055 0.243 19212 1304 1 7 . 1 1 60 60 GLN H H 60 7.857 7.857 8.114 -0.257 19212 1305 1 7 . 1 1 61 61 SER N N 61 110.770 110.770 115.434 -4.664 19212 1306 1 7 . 1 1 61 61 SER HA H 61 3.880 3.880 4.053 -0.173 19212 1307 1 7 . 1 1 61 61 SER H H 61 6.540 6.540 7.319 -0.779 19212 1308 1 7 . 1 1 62 62 ALA N N 62 125.565 125.565 127.696 -2.131 19212 1309 1 7 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.180 0.255 19212 1310 1 7 . 1 1 62 62 ALA H H 62 8.936 8.936 8.746 0.190 19212 1311 1 7 . 1 1 63 63 ASP N N 63 117.546 117.546 116.565 0.981 19212 1312 1 7 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.782 0.113 19212 1313 1 7 . 1 1 63 63 ASP H H 63 8.117 8.117 7.850 0.267 19212 1314 1 7 . 1 1 64 64 CYS N N 64 121.338 121.338 117.813 3.525 19212 1315 1 7 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.904 0.537 19212 1316 1 7 . 1 1 64 64 CYS H H 64 8.868 8.868 8.256 0.612 19212 1317 1 7 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.442 -0.082 19212 1318 1 7 . 1 1 66 66 ARG N N 66 119.930 119.930 124.241 -4.311 19212 1319 1 7 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.261 0.125 19212 1320 1 7 . 1 1 66 66 ARG H H 66 8.232 8.232 7.831 0.401 19212 1321 1 7 . 1 1 67 67 ASN N N 67 124.642 124.642 118.520 6.122 19212 1322 1 7 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.388 0.396 19212 1323 1 7 . 1 1 67 67 ASN H H 67 8.887 8.887 8.238 0.649 19212 1324 1 7 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.298 0.015 19212 1325 1 7 . 1 1 69 69 TRP N N 69 118.875 118.875 117.093 1.782 19212 1326 1 7 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.661 -0.107 19212 1327 1 7 . 1 1 69 69 TRP H H 69 7.941 7.941 7.190 0.751 19212 1328 1 7 . 1 1 70 70 ASN N N 70 119.579 119.579 117.111 2.468 19212 1329 1 7 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.793 -0.086 19212 1330 1 7 . 1 1 70 70 ASN H H 70 7.866 7.866 7.223 0.643 19212 1331 1 8 . 1 1 2 2 LYS N N 2 121.151 121.151 120.896 0.255 19212 1332 1 8 . 1 1 2 2 LYS H H 2 8.253 8.253 8.172 0.081 19212 1333 1 8 . 1 1 3 3 GLU N N 3 121.214 121.214 118.901 2.313 19212 1334 1 8 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.369 -0.047 19212 1335 1 8 . 1 1 3 3 GLU H H 3 8.581 8.581 8.090 0.491 19212 1336 1 8 . 1 1 4 4 CYS N N 4 119.597 119.597 119.632 -0.035 19212 1337 1 8 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.793 0.182 19212 1338 1 8 . 1 1 4 4 CYS H H 4 8.028 8.028 8.065 -0.037 19212 1339 1 8 . 1 1 5 5 ASP N N 5 119.597 119.597 125.581 -5.984 19212 1340 1 8 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.765 0.052 19212 1341 1 8 . 1 1 5 5 ASP H H 5 8.690 8.690 9.113 -0.423 19212 1342 1 8 . 1 1 6 6 CYS N N 6 112.573 112.573 116.608 -4.035 19212 1343 1 8 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.870 0.061 19212 1344 1 8 . 1 1 6 6 CYS H H 6 6.888 6.888 7.801 -0.913 19212 1345 1 8 . 1 1 7 7 SER N N 7 119.349 119.349 118.426 0.923 19212 1346 1 8 . 1 1 7 7 SER HA H 7 4.226 4.226 4.395 -0.169 19212 1347 1 8 . 1 1 7 7 SER H H 7 9.584 9.584 8.681 0.903 19212 1348 1 8 . 1 1 8 8 SER N N 8 115.557 115.557 119.083 -3.526 19212 1349 1 8 . 1 1 8 8 SER HA H 8 5.137 5.137 4.692 0.445 19212 1350 1 8 . 1 1 8 8 SER H H 8 7.776 7.776 7.863 -0.087 19212 1351 1 8 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.370 0.189 19212 1352 1 8 . 1 1 10 10 GLU N N 10 116.738 116.738 118.420 -1.682 19212 1353 1 8 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.327 -0.033 19212 1354 1 8 . 1 1 10 10 GLU H H 10 8.165 8.165 8.186 -0.021 19212 1355 1 8 . 1 1 11 11 ASN N N 11 120.592 120.592 119.093 1.499 19212 1356 1 8 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.963 -0.169 19212 1357 1 8 . 1 1 11 11 ASN H H 11 7.175 7.175 7.509 -0.334 19212 1358 1 8 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.517 0.187 19212 1359 1 8 . 1 1 13 13 CYS N N 13 117.795 117.795 115.630 2.165 19212 1360 1 8 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.221 0.427 19212 1361 1 8 . 1 1 13 13 CYS H H 13 8.847 8.847 8.274 0.573 19212 1362 1 8 . 1 1 14 14 CYS N N 14 112.262 112.262 115.783 -3.521 19212 1363 1 8 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.613 0.443 19212 1364 1 8 . 1 1 14 14 CYS H H 14 7.448 7.448 7.721 -0.274 19212 1365 1 8 . 1 1 15 15 ASP N N 15 121.027 121.027 120.688 0.339 19212 1366 1 8 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.901 -0.331 19212 1367 1 8 . 1 1 15 15 ASP H H 15 8.130 8.130 8.724 -0.594 19212 1368 1 8 . 1 1 16 16 ALA N N 16 130.920 130.920 129.078 1.842 19212 1369 1 8 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.108 0.040 19212 1370 1 8 . 1 1 16 16 ALA H H 16 8.915 8.915 8.742 0.173 19212 1371 1 8 . 1 1 17 17 ALA N N 17 117.732 117.732 122.167 -4.435 19212 1372 1 8 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.006 0.355 19212 1373 1 8 . 1 1 17 17 ALA H H 17 8.588 8.588 8.075 0.513 19212 1374 1 8 . 1 1 18 18 THR N N 18 105.299 105.299 110.142 -4.843 19212 1375 1 8 . 1 1 18 18 THR HA H 18 4.445 4.445 4.327 0.118 19212 1376 1 8 . 1 1 18 18 THR H H 18 7.660 7.660 7.667 -0.007 19212 1377 1 8 . 1 1 19 19 CYS N N 19 119.038 119.038 119.903 -0.865 19212 1378 1 8 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.101 0.541 19212 1379 1 8 . 1 1 19 19 CYS H H 19 8.520 8.520 8.405 0.115 19212 1380 1 8 . 1 1 20 20 LYS N N 20 118.354 118.354 117.325 1.029 19212 1381 1 8 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.693 0.252 19212 1382 1 8 . 1 1 20 20 LYS H H 20 7.878 7.878 7.449 0.429 19212 1383 1 8 . 1 1 21 21 LEU N N 21 120.405 120.405 121.096 -0.691 19212 1384 1 8 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.081 0.204 19212 1385 1 8 . 1 1 21 21 LEU H H 21 9.127 9.127 8.499 0.628 19212 1386 1 8 . 1 1 22 22 ARG N N 22 122.457 122.457 125.230 -2.773 19212 1387 1 8 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.416 0.032 19212 1388 1 8 . 1 1 22 22 ARG H H 22 8.403 8.403 8.289 0.114 19212 1389 1 8 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.561 -0.172 19212 1390 1 8 . 1 1 24 24 GLY N N 24 113.629 113.629 106.667 6.962 19212 1391 1 8 . 1 1 24 24 GLY H H 24 8.752 8.752 8.281 0.471 19212 1392 1 8 . 1 1 25 25 ALA N N 25 123.389 123.389 121.678 1.711 19212 1393 1 8 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.099 0.441 19212 1394 1 8 . 1 1 25 25 ALA H H 25 7.857 7.857 7.408 0.449 19212 1395 1 8 . 1 1 26 26 GLN N N 26 117.396 117.396 117.284 0.112 19212 1396 1 8 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.306 -0.193 19212 1397 1 8 . 1 1 26 26 GLN H H 26 8.745 8.745 8.390 0.355 19212 1398 1 8 . 1 1 27 27 CYS N N 27 113.256 113.256 113.440 -0.184 19212 1399 1 8 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.690 -0.135 19212 1400 1 8 . 1 1 27 27 CYS H H 27 7.721 7.721 7.247 0.474 19212 1401 1 8 . 1 1 28 28 GLY N N 28 104.864 104.864 108.411 -3.547 19212 1402 1 8 . 1 1 28 28 GLY H H 28 9.086 9.086 8.789 0.297 19212 1403 1 8 . 1 1 29 29 GLU N N 29 118.034 118.034 116.876 1.158 19212 1404 1 8 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.538 0.244 19212 1405 1 8 . 1 1 29 29 GLU H H 29 7.762 7.762 7.576 0.186 19212 1406 1 8 . 1 1 30 30 GLY N N 30 108.470 108.470 106.989 1.481 19212 1407 1 8 . 1 1 30 30 GLY H H 30 8.315 8.315 8.162 0.153 19212 1408 1 8 . 1 1 31 31 LEU N N 31 120.903 120.903 122.337 -1.434 19212 1409 1 8 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.137 0.217 19212 1410 1 8 . 1 1 31 31 LEU H H 31 8.895 8.895 8.814 0.081 19212 1411 1 8 . 1 1 32 32 CYS N N 32 114.873 114.873 114.223 0.650 19212 1412 1 8 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.562 0.546 19212 1413 1 8 . 1 1 32 32 CYS H H 32 8.376 8.376 8.529 -0.153 19212 1414 1 8 . 1 1 33 33 CYS N N 33 121.151 121.151 122.655 -1.504 19212 1415 1 8 . 1 1 33 33 CYS HA H 33 5.291 5.291 4.798 0.493 19212 1416 1 8 . 1 1 33 33 CYS H H 33 7.291 7.291 7.696 -0.405 19212 1417 1 8 . 1 1 34 34 GLU N N 34 128.487 128.487 128.852 -0.365 19212 1418 1 8 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.611 0.071 19212 1419 1 8 . 1 1 34 34 GLU H H 34 9.652 9.652 8.249 1.403 19212 1420 1 8 . 1 1 35 35 GLN N N 35 125.441 125.441 121.329 4.112 19212 1421 1 8 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.960 0.039 19212 1422 1 8 . 1 1 35 35 GLN H H 35 9.373 9.373 9.054 0.319 19212 1423 1 8 . 1 1 36 36 CYS N N 36 105.424 105.424 109.512 -4.088 19212 1424 1 8 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.162 0.639 19212 1425 1 8 . 1 1 36 36 CYS H H 36 8.410 8.410 8.433 -0.023 19212 1426 1 8 . 1 1 37 37 LYS N N 37 120.965 120.965 117.852 3.113 19212 1427 1 8 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.486 0.217 19212 1428 1 8 . 1 1 37 37 LYS H H 37 7.939 7.939 7.726 0.213 19212 1429 1 8 . 1 1 38 38 PHE N N 38 119.722 119.722 119.715 0.007 19212 1430 1 8 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.495 0.646 19212 1431 1 8 . 1 1 38 38 PHE H H 38 8.192 8.192 8.477 -0.285 19212 1432 1 8 . 1 1 39 39 SER N N 39 121.524 121.524 121.368 0.156 19212 1433 1 8 . 1 1 39 39 SER HA H 39 4.274 4.274 4.373 -0.099 19212 1434 1 8 . 1 1 39 39 SER H H 39 8.963 8.963 8.396 0.567 19212 1435 1 8 . 1 1 40 40 ARG N N 40 121.711 121.711 118.358 3.353 19212 1436 1 8 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.518 -0.417 19212 1437 1 8 . 1 1 40 40 ARG H H 40 8.485 8.485 8.201 0.284 19212 1438 1 8 . 1 1 41 41 ALA N N 41 123.576 123.576 122.636 0.940 19212 1439 1 8 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.457 -0.733 19212 1440 1 8 . 1 1 41 41 ALA H H 41 8.417 8.417 8.362 0.055 19212 1441 1 8 . 1 1 42 42 GLY N N 42 110.397 110.397 110.138 0.259 19212 1442 1 8 . 1 1 42 42 GLY H H 42 8.520 8.520 9.053 -0.533 19212 1443 1 8 . 1 1 43 43 LYS N N 43 122.643 122.643 120.359 2.284 19212 1444 1 8 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.484 -0.335 19212 1445 1 8 . 1 1 43 43 LYS H H 43 7.441 7.441 7.322 0.119 19212 1446 1 8 . 1 1 44 44 ILE N N 44 128.798 128.798 128.136 0.662 19212 1447 1 8 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.126 -0.004 19212 1448 1 8 . 1 1 44 44 ILE H H 44 8.793 8.793 8.714 0.079 19212 1449 1 8 . 1 1 45 45 CYS N N 45 123.700 123.700 125.761 -2.061 19212 1450 1 8 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.698 0.474 19212 1451 1 8 . 1 1 45 45 CYS H H 45 9.325 9.325 9.104 0.221 19212 1452 1 8 . 1 1 46 46 ARG N N 46 123.265 123.265 119.360 3.905 19212 1453 1 8 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.576 -0.134 19212 1454 1 8 . 1 1 46 46 ARG H H 46 7.475 7.475 7.447 0.028 19212 1455 1 8 . 1 1 47 47 ILE N N 47 127.244 127.244 121.767 5.477 19212 1456 1 8 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.574 -0.320 19212 1457 1 8 . 1 1 47 47 ILE H H 47 8.417 8.417 8.493 -0.076 19212 1458 1 8 . 1 1 48 48 ALA N N 48 130.660 130.660 131.075 -0.415 19212 1459 1 8 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.609 -0.364 19212 1460 1 8 . 1 1 48 48 ALA H H 48 9.322 9.322 8.405 0.917 19212 1461 1 8 . 1 1 49 49 ARG N N 49 120.352 120.352 123.161 -2.809 19212 1462 1 8 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.558 -0.151 19212 1463 1 8 . 1 1 49 49 ARG H H 49 8.150 8.150 8.833 -0.683 19212 1464 1 8 . 1 1 50 50 GLY N N 50 108.819 108.819 114.413 -5.594 19212 1465 1 8 . 1 1 50 50 GLY H H 50 7.329 7.329 8.394 -1.065 19212 1466 1 8 . 1 1 51 51 ASP N N 51 121.337 121.337 119.026 2.311 19212 1467 1 8 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.543 0.018 19212 1468 1 8 . 1 1 51 51 ASP H H 51 8.090 8.090 6.461 1.629 19212 1469 1 8 . 1 1 52 52 TRP N N 52 119.227 119.227 119.967 -0.740 19212 1470 1 8 . 1 1 52 52 TRP HA H 52 4.640 4.640 5.097 -0.457 19212 1471 1 8 . 1 1 52 52 TRP H H 52 7.812 7.812 6.658 1.154 19212 1472 1 8 . 1 1 53 53 ASN N N 53 116.695 116.695 120.076 -3.381 19212 1473 1 8 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.812 -0.062 19212 1474 1 8 . 1 1 53 53 ASN H H 53 8.310 8.310 8.553 -0.243 19212 1475 1 8 . 1 1 54 54 ASP N N 54 119.908 119.908 121.541 -1.633 19212 1476 1 8 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.676 0.143 19212 1477 1 8 . 1 1 54 54 ASP H H 54 8.090 8.090 8.593 -0.503 19212 1478 1 8 . 1 1 55 55 ASP N N 55 121.524 121.524 119.782 1.742 19212 1479 1 8 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.950 0.073 19212 1480 1 8 . 1 1 55 55 ASP H H 55 8.520 8.520 8.298 0.222 19212 1481 1 8 . 1 1 56 56 ARG N N 56 119.970 119.970 123.607 -3.637 19212 1482 1 8 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.478 0.813 19212 1483 1 8 . 1 1 56 56 ARG H H 56 8.533 8.533 8.572 -0.039 19212 1484 1 8 . 1 1 57 57 CYS N N 57 119.286 119.286 124.246 -4.960 19212 1485 1 8 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.498 0.358 19212 1486 1 8 . 1 1 57 57 CYS H H 57 9.222 9.222 8.712 0.510 19212 1487 1 8 . 1 1 58 58 THR N N 58 113.194 113.194 116.844 -3.650 19212 1488 1 8 . 1 1 58 58 THR HA H 58 4.442 4.442 4.107 0.335 19212 1489 1 8 . 1 1 58 58 THR H H 58 10.048 10.048 9.078 0.970 19212 1490 1 8 . 1 1 59 59 GLY N N 59 111.765 111.765 109.175 2.590 19212 1491 1 8 . 1 1 59 59 GLY H H 59 8.458 8.458 8.457 0.001 19212 1492 1 8 . 1 1 60 60 GLN N N 60 114.377 114.377 119.448 -5.071 19212 1493 1 8 . 1 1 60 60 GLN HA H 60 4.298 4.298 3.910 0.388 19212 1494 1 8 . 1 1 60 60 GLN H H 60 7.857 7.857 7.586 0.271 19212 1495 1 8 . 1 1 61 61 SER N N 61 110.770 110.770 112.448 -1.678 19212 1496 1 8 . 1 1 61 61 SER HA H 61 3.880 3.880 4.311 -0.431 19212 1497 1 8 . 1 1 61 61 SER H H 61 6.540 6.540 7.187 -0.647 19212 1498 1 8 . 1 1 62 62 ALA N N 62 125.565 125.565 129.949 -4.384 19212 1499 1 8 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.366 0.069 19212 1500 1 8 . 1 1 62 62 ALA H H 62 8.936 8.936 9.088 -0.152 19212 1501 1 8 . 1 1 63 63 ASP N N 63 117.546 117.546 117.233 0.313 19212 1502 1 8 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.778 0.117 19212 1503 1 8 . 1 1 63 63 ASP H H 63 8.117 8.117 7.829 0.288 19212 1504 1 8 . 1 1 64 64 CYS N N 64 121.338 121.338 119.001 2.337 19212 1505 1 8 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.778 0.663 19212 1506 1 8 . 1 1 64 64 CYS H H 64 8.868 8.868 8.275 0.593 19212 1507 1 8 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.734 -0.373 19212 1508 1 8 . 1 1 66 66 ARG N N 66 119.930 119.930 118.208 1.722 19212 1509 1 8 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.507 -0.121 19212 1510 1 8 . 1 1 66 66 ARG H H 66 8.232 8.232 8.120 0.112 19212 1511 1 8 . 1 1 67 67 ASN N N 67 124.642 124.642 118.468 6.174 19212 1512 1 8 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.903 -0.119 19212 1513 1 8 . 1 1 67 67 ASN H H 67 8.887 8.887 8.574 0.313 19212 1514 1 8 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.283 0.030 19212 1515 1 8 . 1 1 69 69 TRP N N 69 118.875 118.875 121.207 -2.332 19212 1516 1 8 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.674 -0.120 19212 1517 1 8 . 1 1 69 69 TRP H H 69 7.941 7.941 7.336 0.605 19212 1518 1 8 . 1 1 70 70 ASN N N 70 119.579 119.579 120.202 -0.623 19212 1519 1 8 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.607 0.100 19212 1520 1 8 . 1 1 70 70 ASN H H 70 7.866 7.866 7.921 -0.055 19212 1521 1 9 . 1 1 2 2 LYS N N 2 121.151 121.151 121.743 -0.592 19212 1522 1 9 . 1 1 2 2 LYS H H 2 8.253 8.253 8.249 0.004 19212 1523 1 9 . 1 1 3 3 GLU N N 3 121.214 121.214 119.219 1.995 19212 1524 1 9 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.399 -0.077 19212 1525 1 9 . 1 1 3 3 GLU H H 3 8.581 8.581 8.171 0.410 19212 1526 1 9 . 1 1 4 4 CYS N N 4 119.597 119.597 117.968 1.629 19212 1527 1 9 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.872 0.103 19212 1528 1 9 . 1 1 4 4 CYS H H 4 8.028 8.028 7.816 0.212 19212 1529 1 9 . 1 1 5 5 ASP N N 5 119.597 119.597 125.239 -5.642 19212 1530 1 9 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.480 0.337 19212 1531 1 9 . 1 1 5 5 ASP H H 5 8.690 8.690 8.840 -0.150 19212 1532 1 9 . 1 1 6 6 CYS N N 6 112.573 112.573 114.273 -1.700 19212 1533 1 9 . 1 1 6 6 CYS HA H 6 4.931 4.931 5.028 -0.097 19212 1534 1 9 . 1 1 6 6 CYS H H 6 6.888 6.888 7.709 -0.821 19212 1535 1 9 . 1 1 7 7 SER N N 7 119.349 119.349 114.580 4.769 19212 1536 1 9 . 1 1 7 7 SER HA H 7 4.226 4.226 4.532 -0.306 19212 1537 1 9 . 1 1 7 7 SER H H 7 9.584 9.584 8.699 0.885 19212 1538 1 9 . 1 1 8 8 SER N N 8 115.557 115.557 118.392 -2.835 19212 1539 1 9 . 1 1 8 8 SER HA H 8 5.137 5.137 4.874 0.263 19212 1540 1 9 . 1 1 8 8 SER H H 8 7.776 7.776 7.968 -0.192 19212 1541 1 9 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.485 0.074 19212 1542 1 9 . 1 1 10 10 GLU N N 10 116.738 116.738 118.680 -1.942 19212 1543 1 9 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.401 -0.107 19212 1544 1 9 . 1 1 10 10 GLU H H 10 8.165 8.165 8.056 0.109 19212 1545 1 9 . 1 1 11 11 ASN N N 11 120.592 120.592 118.636 1.956 19212 1546 1 9 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.953 -0.159 19212 1547 1 9 . 1 1 11 11 ASN H H 11 7.175 7.175 7.994 -0.819 19212 1548 1 9 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.656 0.048 19212 1549 1 9 . 1 1 13 13 CYS N N 13 117.795 117.795 116.894 0.901 19212 1550 1 9 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.699 -0.051 19212 1551 1 9 . 1 1 13 13 CYS H H 13 8.847 8.847 9.244 -0.397 19212 1552 1 9 . 1 1 14 14 CYS N N 14 112.262 112.262 118.184 -5.922 19212 1553 1 9 . 1 1 14 14 CYS HA H 14 5.056 5.056 5.035 0.021 19212 1554 1 9 . 1 1 14 14 CYS H H 14 7.448 7.448 7.500 -0.052 19212 1555 1 9 . 1 1 15 15 ASP N N 15 121.027 121.027 124.703 -3.676 19212 1556 1 9 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.523 0.047 19212 1557 1 9 . 1 1 15 15 ASP H H 15 8.130 8.130 8.914 -0.784 19212 1558 1 9 . 1 1 16 16 ALA N N 16 130.920 130.920 129.317 1.603 19212 1559 1 9 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.030 0.118 19212 1560 1 9 . 1 1 16 16 ALA H H 16 8.915 8.915 8.665 0.250 19212 1561 1 9 . 1 1 17 17 ALA N N 17 117.732 117.732 121.609 -3.877 19212 1562 1 9 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.146 0.215 19212 1563 1 9 . 1 1 17 17 ALA H H 17 8.588 8.588 8.179 0.409 19212 1564 1 9 . 1 1 18 18 THR N N 18 105.299 105.299 113.348 -8.049 19212 1565 1 9 . 1 1 18 18 THR HA H 18 4.445 4.445 4.372 0.073 19212 1566 1 9 . 1 1 18 18 THR H H 18 7.660 7.660 8.027 -0.367 19212 1567 1 9 . 1 1 19 19 CYS N N 19 119.038 119.038 115.887 3.151 19212 1568 1 9 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.191 0.451 19212 1569 1 9 . 1 1 19 19 CYS H H 19 8.520 8.520 7.605 0.915 19212 1570 1 9 . 1 1 20 20 LYS N N 20 118.354 118.354 117.732 0.622 19212 1571 1 9 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.648 0.297 19212 1572 1 9 . 1 1 20 20 LYS H H 20 7.878 7.878 7.376 0.502 19212 1573 1 9 . 1 1 21 21 LEU N N 21 120.405 120.405 121.747 -1.342 19212 1574 1 9 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.604 -0.319 19212 1575 1 9 . 1 1 21 21 LEU H H 21 9.127 9.127 8.653 0.474 19212 1576 1 9 . 1 1 22 22 ARG N N 22 122.457 122.457 125.693 -3.236 19212 1577 1 9 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.344 0.104 19212 1578 1 9 . 1 1 22 22 ARG H H 22 8.403 8.403 8.155 0.247 19212 1579 1 9 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.512 -0.123 19212 1580 1 9 . 1 1 24 24 GLY N N 24 113.629 113.629 107.098 6.531 19212 1581 1 9 . 1 1 24 24 GLY H H 24 8.752 8.752 8.525 0.227 19212 1582 1 9 . 1 1 25 25 ALA N N 25 123.389 123.389 123.566 -0.177 19212 1583 1 9 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.839 -0.299 19212 1584 1 9 . 1 1 25 25 ALA H H 25 7.857 7.857 7.672 0.185 19212 1585 1 9 . 1 1 26 26 GLN N N 26 117.396 117.396 120.740 -3.344 19212 1586 1 9 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.032 0.081 19212 1587 1 9 . 1 1 26 26 GLN H H 26 8.745 8.745 8.245 0.500 19212 1588 1 9 . 1 1 27 27 CYS N N 27 113.256 113.256 115.747 -2.491 19212 1589 1 9 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.993 -0.438 19212 1590 1 9 . 1 1 27 27 CYS H H 27 7.721 7.721 7.176 0.545 19212 1591 1 9 . 1 1 28 28 GLY N N 28 104.864 104.864 108.634 -3.770 19212 1592 1 9 . 1 1 28 28 GLY H H 28 9.086 9.086 8.534 0.552 19212 1593 1 9 . 1 1 29 29 GLU N N 29 118.034 118.034 117.257 0.777 19212 1594 1 9 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.463 0.319 19212 1595 1 9 . 1 1 29 29 GLU H H 29 7.762 7.762 7.590 0.172 19212 1596 1 9 . 1 1 30 30 GLY N N 30 108.470 108.470 107.800 0.670 19212 1597 1 9 . 1 1 30 30 GLY H H 30 8.315 8.315 7.967 0.348 19212 1598 1 9 . 1 1 31 31 LEU N N 31 120.903 120.903 120.914 -0.011 19212 1599 1 9 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.354 -0.000 19212 1600 1 9 . 1 1 31 31 LEU H H 31 8.895 8.895 8.248 0.647 19212 1601 1 9 . 1 1 32 32 CYS N N 32 114.873 114.873 119.841 -4.968 19212 1602 1 9 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.638 0.470 19212 1603 1 9 . 1 1 32 32 CYS H H 32 8.376 8.376 8.646 -0.270 19212 1604 1 9 . 1 1 33 33 CYS N N 33 121.151 121.151 121.534 -0.383 19212 1605 1 9 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.433 -0.142 19212 1606 1 9 . 1 1 33 33 CYS H H 33 7.291 7.291 8.249 -0.958 19212 1607 1 9 . 1 1 34 34 GLU N N 34 128.487 128.487 125.235 3.252 19212 1608 1 9 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.429 0.253 19212 1609 1 9 . 1 1 34 34 GLU H H 34 9.652 9.652 8.335 1.317 19212 1610 1 9 . 1 1 35 35 GLN N N 35 125.441 125.441 123.232 2.209 19212 1611 1 9 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.945 0.054 19212 1612 1 9 . 1 1 35 35 GLN H H 35 9.373 9.373 9.125 0.248 19212 1613 1 9 . 1 1 36 36 CYS N N 36 105.424 105.424 114.171 -8.747 19212 1614 1 9 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.115 0.686 19212 1615 1 9 . 1 1 36 36 CYS H H 36 8.410 8.410 8.375 0.035 19212 1616 1 9 . 1 1 37 37 LYS N N 37 120.965 120.965 117.825 3.140 19212 1617 1 9 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.573 0.130 19212 1618 1 9 . 1 1 37 37 LYS H H 37 7.939 7.939 7.487 0.452 19212 1619 1 9 . 1 1 38 38 PHE N N 38 119.722 119.722 120.353 -0.631 19212 1620 1 9 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.669 0.472 19212 1621 1 9 . 1 1 38 38 PHE H H 38 8.192 8.192 8.619 -0.427 19212 1622 1 9 . 1 1 39 39 SER N N 39 121.524 121.524 120.558 0.966 19212 1623 1 9 . 1 1 39 39 SER HA H 39 4.274 4.274 4.552 -0.278 19212 1624 1 9 . 1 1 39 39 SER H H 39 8.963 8.963 8.611 0.352 19212 1625 1 9 . 1 1 40 40 ARG N N 40 121.711 121.711 118.794 2.917 19212 1626 1 9 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.480 -0.379 19212 1627 1 9 . 1 1 40 40 ARG H H 40 8.485 8.485 8.194 0.291 19212 1628 1 9 . 1 1 41 41 ALA N N 41 123.576 123.576 123.770 -0.194 19212 1629 1 9 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.300 -0.576 19212 1630 1 9 . 1 1 41 41 ALA H H 41 8.417 8.417 8.306 0.111 19212 1631 1 9 . 1 1 42 42 GLY N N 42 110.397 110.397 106.643 3.754 19212 1632 1 9 . 1 1 42 42 GLY H H 42 8.520 8.520 8.451 0.069 19212 1633 1 9 . 1 1 43 43 LYS N N 43 122.643 122.643 119.871 2.772 19212 1634 1 9 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.538 -0.389 19212 1635 1 9 . 1 1 43 43 LYS H H 43 7.441 7.441 7.332 0.109 19212 1636 1 9 . 1 1 44 44 ILE N N 44 128.798 128.798 128.376 0.422 19212 1637 1 9 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.245 -0.123 19212 1638 1 9 . 1 1 44 44 ILE H H 44 8.793 8.793 8.586 0.207 19212 1639 1 9 . 1 1 45 45 CYS N N 45 123.700 123.700 124.602 -0.902 19212 1640 1 9 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.250 0.922 19212 1641 1 9 . 1 1 45 45 CYS H H 45 9.325 9.325 8.597 0.728 19212 1642 1 9 . 1 1 46 46 ARG N N 46 123.265 123.265 118.718 4.547 19212 1643 1 9 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.502 -0.060 19212 1644 1 9 . 1 1 46 46 ARG H H 46 7.475 7.475 7.517 -0.042 19212 1645 1 9 . 1 1 47 47 ILE N N 47 127.244 127.244 124.813 2.431 19212 1646 1 9 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.022 0.232 19212 1647 1 9 . 1 1 47 47 ILE H H 47 8.417 8.417 8.672 -0.255 19212 1648 1 9 . 1 1 48 48 ALA N N 48 130.660 130.660 131.003 -0.343 19212 1649 1 9 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.786 -0.541 19212 1650 1 9 . 1 1 48 48 ALA H H 48 9.322 9.322 8.451 0.871 19212 1651 1 9 . 1 1 49 49 ARG N N 49 120.352 120.352 126.238 -5.886 19212 1652 1 9 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.419 -0.012 19212 1653 1 9 . 1 1 49 49 ARG H H 49 8.150 8.150 8.648 -0.498 19212 1654 1 9 . 1 1 50 50 GLY N N 50 108.819 108.819 111.350 -2.531 19212 1655 1 9 . 1 1 50 50 GLY H H 50 7.329 7.329 8.109 -0.780 19212 1656 1 9 . 1 1 51 51 ASP N N 51 121.337 121.337 117.245 4.092 19212 1657 1 9 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.351 0.210 19212 1658 1 9 . 1 1 51 51 ASP H H 51 8.090 8.090 6.977 1.113 19212 1659 1 9 . 1 1 52 52 TRP N N 52 119.227 119.227 120.799 -1.572 19212 1660 1 9 . 1 1 52 52 TRP HA H 52 4.640 4.640 4.272 0.368 19212 1661 1 9 . 1 1 52 52 TRP H H 52 7.812 7.812 7.174 0.638 19212 1662 1 9 . 1 1 53 53 ASN N N 53 116.695 116.695 119.413 -2.718 19212 1663 1 9 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.690 0.060 19212 1664 1 9 . 1 1 53 53 ASN H H 53 8.310 8.310 8.171 0.139 19212 1665 1 9 . 1 1 54 54 ASP N N 54 119.908 119.908 118.255 1.653 19212 1666 1 9 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.467 0.352 19212 1667 1 9 . 1 1 54 54 ASP H H 54 8.090 8.090 8.428 -0.338 19212 1668 1 9 . 1 1 55 55 ASP N N 55 121.524 121.524 124.143 -2.619 19212 1669 1 9 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.650 0.373 19212 1670 1 9 . 1 1 55 55 ASP H H 55 8.520 8.520 8.268 0.252 19212 1671 1 9 . 1 1 56 56 ARG N N 56 119.970 119.970 123.413 -3.443 19212 1672 1 9 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.662 0.629 19212 1673 1 9 . 1 1 56 56 ARG H H 56 8.533 8.533 8.086 0.447 19212 1674 1 9 . 1 1 57 57 CYS N N 57 119.286 119.286 119.864 -0.578 19212 1675 1 9 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.773 0.083 19212 1676 1 9 . 1 1 57 57 CYS H H 57 9.222 9.222 8.554 0.668 19212 1677 1 9 . 1 1 58 58 THR N N 58 113.194 113.194 115.396 -2.202 19212 1678 1 9 . 1 1 58 58 THR HA H 58 4.442 4.442 4.211 0.231 19212 1679 1 9 . 1 1 58 58 THR H H 58 10.048 10.048 9.022 1.026 19212 1680 1 9 . 1 1 59 59 GLY N N 59 111.765 111.765 110.067 1.698 19212 1681 1 9 . 1 1 59 59 GLY H H 59 8.458 8.458 8.455 0.003 19212 1682 1 9 . 1 1 60 60 GLN N N 60 114.377 114.377 121.016 -6.639 19212 1683 1 9 . 1 1 60 60 GLN HA H 60 4.298 4.298 3.653 0.645 19212 1684 1 9 . 1 1 60 60 GLN H H 60 7.857 7.857 7.700 0.157 19212 1685 1 9 . 1 1 61 61 SER N N 61 110.770 110.770 113.242 -2.472 19212 1686 1 9 . 1 1 61 61 SER HA H 61 3.880 3.880 4.495 -0.615 19212 1687 1 9 . 1 1 61 61 SER H H 61 6.540 6.540 7.553 -1.013 19212 1688 1 9 . 1 1 62 62 ALA N N 62 125.565 125.565 126.269 -0.704 19212 1689 1 9 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.565 -0.130 19212 1690 1 9 . 1 1 62 62 ALA H H 62 8.936 8.936 8.916 0.020 19212 1691 1 9 . 1 1 63 63 ASP N N 63 117.546 117.546 117.434 0.112 19212 1692 1 9 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.684 0.211 19212 1693 1 9 . 1 1 63 63 ASP H H 63 8.117 8.117 8.088 0.029 19212 1694 1 9 . 1 1 64 64 CYS N N 64 121.338 121.338 121.608 -0.270 19212 1695 1 9 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.733 0.708 19212 1696 1 9 . 1 1 64 64 CYS H H 64 8.868 8.868 8.489 0.379 19212 1697 1 9 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.400 -0.039 19212 1698 1 9 . 1 1 66 66 ARG N N 66 119.930 119.930 116.954 2.976 19212 1699 1 9 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.564 -0.178 19212 1700 1 9 . 1 1 66 66 ARG H H 66 8.232 8.232 7.339 0.893 19212 1701 1 9 . 1 1 67 67 ASN N N 67 124.642 124.642 119.198 5.444 19212 1702 1 9 . 1 1 67 67 ASN HA H 67 4.784 4.784 5.387 -0.603 19212 1703 1 9 . 1 1 67 67 ASN H H 67 8.887 8.887 8.055 0.832 19212 1704 1 9 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.021 0.292 19212 1705 1 9 . 1 1 69 69 TRP N N 69 118.875 118.875 118.576 0.299 19212 1706 1 9 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.161 0.393 19212 1707 1 9 . 1 1 69 69 TRP H H 69 7.941 7.941 6.524 1.417 19212 1708 1 9 . 1 1 70 70 ASN N N 70 119.579 119.579 115.402 4.177 19212 1709 1 9 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.516 0.191 19212 1710 1 9 . 1 1 70 70 ASN H H 70 7.866 7.866 7.971 -0.105 19212 1711 1 10 . 1 1 2 2 LYS N N 2 121.151 121.151 120.901 0.250 19212 1712 1 10 . 1 1 2 2 LYS H H 2 8.253 8.253 8.281 -0.028 19212 1713 1 10 . 1 1 3 3 GLU N N 3 121.214 121.214 117.331 3.883 19212 1714 1 10 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.443 -0.121 19212 1715 1 10 . 1 1 3 3 GLU H H 3 8.581 8.581 7.993 0.588 19212 1716 1 10 . 1 1 4 4 CYS N N 4 119.597 119.597 118.446 1.151 19212 1717 1 10 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.821 0.154 19212 1718 1 10 . 1 1 4 4 CYS H H 4 8.028 8.028 7.843 0.185 19212 1719 1 10 . 1 1 5 5 ASP N N 5 119.597 119.597 123.858 -4.261 19212 1720 1 10 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.615 0.202 19212 1721 1 10 . 1 1 5 5 ASP H H 5 8.690 8.690 8.913 -0.223 19212 1722 1 10 . 1 1 6 6 CYS N N 6 112.573 112.573 112.493 0.080 19212 1723 1 10 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.815 0.116 19212 1724 1 10 . 1 1 6 6 CYS H H 6 6.888 6.888 7.558 -0.670 19212 1725 1 10 . 1 1 7 7 SER N N 7 119.349 119.349 115.039 4.310 19212 1726 1 10 . 1 1 7 7 SER HA H 7 4.226 4.226 4.539 -0.313 19212 1727 1 10 . 1 1 7 7 SER H H 7 9.584 9.584 8.933 0.651 19212 1728 1 10 . 1 1 8 8 SER N N 8 115.557 115.557 119.276 -3.719 19212 1729 1 10 . 1 1 8 8 SER HA H 8 5.137 5.137 4.815 0.322 19212 1730 1 10 . 1 1 8 8 SER H H 8 7.776 7.776 7.966 -0.190 19212 1731 1 10 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.482 0.076 19212 1732 1 10 . 1 1 10 10 GLU N N 10 116.738 116.738 117.105 -0.367 19212 1733 1 10 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.422 -0.128 19212 1734 1 10 . 1 1 10 10 GLU H H 10 8.165 8.165 7.965 0.200 19212 1735 1 10 . 1 1 11 11 ASN N N 11 120.592 120.592 119.465 1.127 19212 1736 1 10 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.999 -0.205 19212 1737 1 10 . 1 1 11 11 ASN H H 11 7.175 7.175 7.519 -0.344 19212 1738 1 10 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.471 0.233 19212 1739 1 10 . 1 1 13 13 CYS N N 13 117.795 117.795 114.459 3.336 19212 1740 1 10 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.324 0.324 19212 1741 1 10 . 1 1 13 13 CYS H H 13 8.847 8.847 8.538 0.309 19212 1742 1 10 . 1 1 14 14 CYS N N 14 112.262 112.262 116.265 -4.003 19212 1743 1 10 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.998 0.058 19212 1744 1 10 . 1 1 14 14 CYS H H 14 7.448 7.448 7.557 -0.109 19212 1745 1 10 . 1 1 15 15 ASP N N 15 121.027 121.027 124.175 -3.148 19212 1746 1 10 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.518 0.052 19212 1747 1 10 . 1 1 15 15 ASP H H 15 8.130 8.130 8.908 -0.778 19212 1748 1 10 . 1 1 16 16 ALA N N 16 130.920 130.920 128.667 2.253 19212 1749 1 10 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.103 0.045 19212 1750 1 10 . 1 1 16 16 ALA H H 16 8.915 8.915 8.614 0.301 19212 1751 1 10 . 1 1 17 17 ALA N N 17 117.732 117.732 121.680 -3.948 19212 1752 1 10 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.073 0.288 19212 1753 1 10 . 1 1 17 17 ALA H H 17 8.588 8.588 8.385 0.203 19212 1754 1 10 . 1 1 18 18 THR N N 18 105.299 105.299 108.440 -3.141 19212 1755 1 10 . 1 1 18 18 THR HA H 18 4.445 4.445 4.316 0.129 19212 1756 1 10 . 1 1 18 18 THR H H 18 7.660 7.660 7.856 -0.196 19212 1757 1 10 . 1 1 19 19 CYS N N 19 119.038 119.038 116.597 2.441 19212 1758 1 10 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.204 0.438 19212 1759 1 10 . 1 1 19 19 CYS H H 19 8.520 8.520 7.703 0.817 19212 1760 1 10 . 1 1 20 20 LYS N N 20 118.354 118.354 117.422 0.932 19212 1761 1 10 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.561 0.384 19212 1762 1 10 . 1 1 20 20 LYS H H 20 7.878 7.878 7.320 0.558 19212 1763 1 10 . 1 1 21 21 LEU N N 21 120.405 120.405 122.104 -1.699 19212 1764 1 10 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.497 -0.212 19212 1765 1 10 . 1 1 21 21 LEU H H 21 9.127 9.127 8.651 0.476 19212 1766 1 10 . 1 1 22 22 ARG N N 22 122.457 122.457 126.664 -4.207 19212 1767 1 10 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.402 0.046 19212 1768 1 10 . 1 1 22 22 ARG H H 22 8.403 8.403 8.031 0.372 19212 1769 1 10 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.518 -0.129 19212 1770 1 10 . 1 1 24 24 GLY N N 24 113.629 113.629 107.265 6.364 19212 1771 1 10 . 1 1 24 24 GLY H H 24 8.752 8.752 8.481 0.271 19212 1772 1 10 . 1 1 25 25 ALA N N 25 123.389 123.389 124.012 -0.623 19212 1773 1 10 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.485 0.055 19212 1774 1 10 . 1 1 25 25 ALA H H 25 7.857 7.857 8.149 -0.292 19212 1775 1 10 . 1 1 26 26 GLN N N 26 117.396 117.396 117.445 -0.049 19212 1776 1 10 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.174 -0.061 19212 1777 1 10 . 1 1 26 26 GLN H H 26 8.745 8.745 8.492 0.253 19212 1778 1 10 . 1 1 27 27 CYS N N 27 113.256 113.256 115.852 -2.596 19212 1779 1 10 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.838 -0.283 19212 1780 1 10 . 1 1 27 27 CYS H H 27 7.721 7.721 7.112 0.609 19212 1781 1 10 . 1 1 28 28 GLY N N 28 104.864 104.864 107.602 -2.738 19212 1782 1 10 . 1 1 28 28 GLY H H 28 9.086 9.086 8.609 0.477 19212 1783 1 10 . 1 1 29 29 GLU N N 29 118.034 118.034 117.618 0.416 19212 1784 1 10 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.497 0.285 19212 1785 1 10 . 1 1 29 29 GLU H H 29 7.762 7.762 7.735 0.027 19212 1786 1 10 . 1 1 30 30 GLY N N 30 108.470 108.470 107.749 0.721 19212 1787 1 10 . 1 1 30 30 GLY H H 30 8.315 8.315 8.406 -0.091 19212 1788 1 10 . 1 1 31 31 LEU N N 31 120.903 120.903 121.833 -0.930 19212 1789 1 10 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.087 0.267 19212 1790 1 10 . 1 1 31 31 LEU H H 31 8.895 8.895 8.538 0.357 19212 1791 1 10 . 1 1 32 32 CYS N N 32 114.873 114.873 117.810 -2.937 19212 1792 1 10 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.632 0.476 19212 1793 1 10 . 1 1 32 32 CYS H H 32 8.376 8.376 8.628 -0.252 19212 1794 1 10 . 1 1 33 33 CYS N N 33 121.151 121.151 121.912 -0.761 19212 1795 1 10 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.453 -0.162 19212 1796 1 10 . 1 1 33 33 CYS H H 33 7.291 7.291 8.303 -1.012 19212 1797 1 10 . 1 1 34 34 GLU N N 34 128.487 128.487 124.830 3.657 19212 1798 1 10 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.506 0.176 19212 1799 1 10 . 1 1 34 34 GLU H H 34 9.652 9.652 8.378 1.274 19212 1800 1 10 . 1 1 35 35 GLN N N 35 125.441 125.441 121.720 3.721 19212 1801 1 10 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.997 0.002 19212 1802 1 10 . 1 1 35 35 GLN H H 35 9.373 9.373 9.033 0.340 19212 1803 1 10 . 1 1 36 36 CYS N N 36 105.424 105.424 112.167 -6.743 19212 1804 1 10 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.182 0.619 19212 1805 1 10 . 1 1 36 36 CYS H H 36 8.410 8.410 8.307 0.103 19212 1806 1 10 . 1 1 37 37 LYS N N 37 120.965 120.965 117.165 3.800 19212 1807 1 10 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.682 0.021 19212 1808 1 10 . 1 1 37 37 LYS H H 37 7.939 7.939 6.948 0.991 19212 1809 1 10 . 1 1 38 38 PHE N N 38 119.722 119.722 120.800 -1.078 19212 1810 1 10 . 1 1 38 38 PHE HA H 38 5.141 5.141 5.141 -0.000 19212 1811 1 10 . 1 1 38 38 PHE H H 38 8.192 8.192 8.198 -0.006 19212 1812 1 10 . 1 1 39 39 SER N N 39 121.524 121.524 120.819 0.705 19212 1813 1 10 . 1 1 39 39 SER HA H 39 4.274 4.274 4.345 -0.071 19212 1814 1 10 . 1 1 39 39 SER H H 39 8.963 8.963 9.000 -0.037 19212 1815 1 10 . 1 1 40 40 ARG N N 40 121.711 121.711 119.325 2.386 19212 1816 1 10 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.331 -0.230 19212 1817 1 10 . 1 1 40 40 ARG H H 40 8.485 8.485 8.352 0.133 19212 1818 1 10 . 1 1 41 41 ALA N N 41 123.576 123.576 121.257 2.319 19212 1819 1 10 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.491 -0.767 19212 1820 1 10 . 1 1 41 41 ALA H H 41 8.417 8.417 8.034 0.383 19212 1821 1 10 . 1 1 42 42 GLY N N 42 110.397 110.397 108.544 1.853 19212 1822 1 10 . 1 1 42 42 GLY H H 42 8.520 8.520 8.913 -0.393 19212 1823 1 10 . 1 1 43 43 LYS N N 43 122.643 122.643 120.204 2.439 19212 1824 1 10 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.543 -0.394 19212 1825 1 10 . 1 1 43 43 LYS H H 43 7.441 7.441 7.330 0.111 19212 1826 1 10 . 1 1 44 44 ILE N N 44 128.798 128.798 128.037 0.761 19212 1827 1 10 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.294 -0.172 19212 1828 1 10 . 1 1 44 44 ILE H H 44 8.793 8.793 8.754 0.039 19212 1829 1 10 . 1 1 45 45 CYS N N 45 123.700 123.700 123.825 -0.125 19212 1830 1 10 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.729 0.443 19212 1831 1 10 . 1 1 45 45 CYS H H 45 9.325 9.325 8.536 0.789 19212 1832 1 10 . 1 1 46 46 ARG N N 46 123.265 123.265 119.066 4.199 19212 1833 1 10 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.634 -0.192 19212 1834 1 10 . 1 1 46 46 ARG H H 46 7.475 7.475 7.472 0.003 19212 1835 1 10 . 1 1 47 47 ILE N N 47 127.244 127.244 120.532 6.712 19212 1836 1 10 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.372 -0.118 19212 1837 1 10 . 1 1 47 47 ILE H H 47 8.417 8.417 8.569 -0.152 19212 1838 1 10 . 1 1 48 48 ALA N N 48 130.660 130.660 128.084 2.576 19212 1839 1 10 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.698 -0.453 19212 1840 1 10 . 1 1 48 48 ALA H H 48 9.322 9.322 8.414 0.908 19212 1841 1 10 . 1 1 49 49 ARG N N 49 120.352 120.352 125.840 -5.488 19212 1842 1 10 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.262 0.145 19212 1843 1 10 . 1 1 49 49 ARG H H 49 8.150 8.150 8.936 -0.786 19212 1844 1 10 . 1 1 50 50 GLY N N 50 108.819 108.819 113.210 -4.391 19212 1845 1 10 . 1 1 50 50 GLY H H 50 7.329 7.329 7.996 -0.667 19212 1846 1 10 . 1 1 51 51 ASP N N 51 121.337 121.337 120.052 1.285 19212 1847 1 10 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.526 0.035 19212 1848 1 10 . 1 1 51 51 ASP H H 51 8.090 8.090 6.330 1.760 19212 1849 1 10 . 1 1 52 52 TRP N N 52 119.227 119.227 119.753 -0.526 19212 1850 1 10 . 1 1 52 52 TRP HA H 52 4.640 4.640 5.043 -0.403 19212 1851 1 10 . 1 1 52 52 TRP H H 52 7.812 7.812 6.846 0.966 19212 1852 1 10 . 1 1 53 53 ASN N N 53 116.695 116.695 120.895 -4.200 19212 1853 1 10 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.734 0.016 19212 1854 1 10 . 1 1 53 53 ASN H H 53 8.310 8.310 8.596 -0.286 19212 1855 1 10 . 1 1 54 54 ASP N N 54 119.908 119.908 121.751 -1.843 19212 1856 1 10 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.659 0.160 19212 1857 1 10 . 1 1 54 54 ASP H H 54 8.090 8.090 8.442 -0.352 19212 1858 1 10 . 1 1 55 55 ASP N N 55 121.524 121.524 119.864 1.660 19212 1859 1 10 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.700 0.323 19212 1860 1 10 . 1 1 55 55 ASP H H 55 8.520 8.520 8.709 -0.189 19212 1861 1 10 . 1 1 56 56 ARG N N 56 119.970 119.970 123.627 -3.657 19212 1862 1 10 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.912 0.379 19212 1863 1 10 . 1 1 56 56 ARG H H 56 8.533 8.533 8.613 -0.080 19212 1864 1 10 . 1 1 57 57 CYS N N 57 119.286 119.286 122.912 -3.626 19212 1865 1 10 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.349 0.507 19212 1866 1 10 . 1 1 57 57 CYS H H 57 9.222 9.222 9.069 0.153 19212 1867 1 10 . 1 1 58 58 THR N N 58 113.194 113.194 116.821 -3.627 19212 1868 1 10 . 1 1 58 58 THR HA H 58 4.442 4.442 4.299 0.143 19212 1869 1 10 . 1 1 58 58 THR H H 58 10.048 10.048 8.995 1.053 19212 1870 1 10 . 1 1 59 59 GLY N N 59 111.765 111.765 109.510 2.255 19212 1871 1 10 . 1 1 59 59 GLY H H 59 8.458 8.458 8.204 0.254 19212 1872 1 10 . 1 1 60 60 GLN N N 60 114.377 114.377 117.254 -2.877 19212 1873 1 10 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.235 0.063 19212 1874 1 10 . 1 1 60 60 GLN H H 60 7.857 7.857 8.351 -0.494 19212 1875 1 10 . 1 1 61 61 SER N N 61 110.770 110.770 116.142 -5.372 19212 1876 1 10 . 1 1 61 61 SER HA H 61 3.880 3.880 4.039 -0.159 19212 1877 1 10 . 1 1 61 61 SER H H 61 6.540 6.540 7.821 -1.281 19212 1878 1 10 . 1 1 62 62 ALA N N 62 125.565 125.565 124.677 0.888 19212 1879 1 10 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.596 -0.161 19212 1880 1 10 . 1 1 62 62 ALA H H 62 8.936 8.936 8.503 0.433 19212 1881 1 10 . 1 1 63 63 ASP N N 63 117.546 117.546 117.093 0.453 19212 1882 1 10 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.648 0.247 19212 1883 1 10 . 1 1 63 63 ASP H H 63 8.117 8.117 8.179 -0.062 19212 1884 1 10 . 1 1 64 64 CYS N N 64 121.338 121.338 119.915 1.423 19212 1885 1 10 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.857 0.584 19212 1886 1 10 . 1 1 64 64 CYS H H 64 8.868 8.868 8.375 0.493 19212 1887 1 10 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.511 -0.150 19212 1888 1 10 . 1 1 66 66 ARG N N 66 119.930 119.930 121.694 -1.764 19212 1889 1 10 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.798 -0.411 19212 1890 1 10 . 1 1 66 66 ARG H H 66 8.232 8.232 8.294 -0.062 19212 1891 1 10 . 1 1 67 67 ASN N N 67 124.642 124.642 118.551 6.091 19212 1892 1 10 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.835 -0.051 19212 1893 1 10 . 1 1 67 67 ASN H H 67 8.887 8.887 8.514 0.373 19212 1894 1 10 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.143 0.170 19212 1895 1 10 . 1 1 69 69 TRP N N 69 118.875 118.875 116.915 1.960 19212 1896 1 10 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.577 -0.023 19212 1897 1 10 . 1 1 69 69 TRP H H 69 7.941 7.941 7.156 0.785 19212 1898 1 10 . 1 1 70 70 ASN N N 70 119.579 119.579 117.491 2.088 19212 1899 1 10 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.556 0.151 19212 1900 1 10 . 1 1 70 70 ASN H H 70 7.866 7.866 7.251 0.615 19212 1901 1 11 . 1 1 2 2 LYS N N 2 121.151 121.151 122.202 -1.051 19212 1902 1 11 . 1 1 2 2 LYS H H 2 8.253 8.253 8.296 -0.043 19212 1903 1 11 . 1 1 3 3 GLU N N 3 121.214 121.214 119.113 2.101 19212 1904 1 11 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.323 -0.001 19212 1905 1 11 . 1 1 3 3 GLU H H 3 8.581 8.581 8.385 0.196 19212 1906 1 11 . 1 1 4 4 CYS N N 4 119.597 119.597 118.661 0.936 19212 1907 1 11 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.632 0.343 19212 1908 1 11 . 1 1 4 4 CYS H H 4 8.028 8.028 7.825 0.203 19212 1909 1 11 . 1 1 5 5 ASP N N 5 119.597 119.597 123.768 -4.171 19212 1910 1 11 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.594 0.223 19212 1911 1 11 . 1 1 5 5 ASP H H 5 8.690 8.690 8.774 -0.084 19212 1912 1 11 . 1 1 6 6 CYS N N 6 112.573 112.573 112.567 0.006 19212 1913 1 11 . 1 1 6 6 CYS HA H 6 4.931 4.931 5.111 -0.180 19212 1914 1 11 . 1 1 6 6 CYS H H 6 6.888 6.888 7.985 -1.097 19212 1915 1 11 . 1 1 7 7 SER N N 7 119.349 119.349 115.261 4.088 19212 1916 1 11 . 1 1 7 7 SER HA H 7 4.226 4.226 4.531 -0.305 19212 1917 1 11 . 1 1 7 7 SER H H 7 9.584 9.584 8.751 0.833 19212 1918 1 11 . 1 1 8 8 SER N N 8 115.557 115.557 118.596 -3.039 19212 1919 1 11 . 1 1 8 8 SER HA H 8 5.137 5.137 4.856 0.281 19212 1920 1 11 . 1 1 8 8 SER H H 8 7.776 7.776 7.916 -0.140 19212 1921 1 11 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.489 0.070 19212 1922 1 11 . 1 1 10 10 GLU N N 10 116.738 116.738 116.615 0.123 19212 1923 1 11 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.306 -0.012 19212 1924 1 11 . 1 1 10 10 GLU H H 10 8.165 8.165 8.321 -0.156 19212 1925 1 11 . 1 1 11 11 ASN N N 11 120.592 120.592 120.308 0.284 19212 1926 1 11 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.856 -0.062 19212 1927 1 11 . 1 1 11 11 ASN H H 11 7.175 7.175 7.433 -0.258 19212 1928 1 11 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.512 0.192 19212 1929 1 11 . 1 1 13 13 CYS N N 13 117.795 117.795 116.820 0.975 19212 1930 1 11 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.578 0.070 19212 1931 1 11 . 1 1 13 13 CYS H H 13 8.847 8.847 7.928 0.919 19212 1932 1 11 . 1 1 14 14 CYS N N 14 112.262 112.262 117.456 -5.194 19212 1933 1 11 . 1 1 14 14 CYS HA H 14 5.056 5.056 5.108 -0.052 19212 1934 1 11 . 1 1 14 14 CYS H H 14 7.448 7.448 7.527 -0.079 19212 1935 1 11 . 1 1 15 15 ASP N N 15 121.027 121.027 124.691 -3.664 19212 1936 1 11 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.442 0.128 19212 1937 1 11 . 1 1 15 15 ASP H H 15 8.130 8.130 8.676 -0.546 19212 1938 1 11 . 1 1 16 16 ALA N N 16 130.920 130.920 129.686 1.234 19212 1939 1 11 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.021 0.127 19212 1940 1 11 . 1 1 16 16 ALA H H 16 8.915 8.915 8.680 0.235 19212 1941 1 11 . 1 1 17 17 ALA N N 17 117.732 117.732 121.989 -4.257 19212 1942 1 11 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.050 0.311 19212 1943 1 11 . 1 1 17 17 ALA H H 17 8.588 8.588 8.105 0.483 19212 1944 1 11 . 1 1 18 18 THR N N 18 105.299 105.299 109.362 -4.063 19212 1945 1 11 . 1 1 18 18 THR HA H 18 4.445 4.445 4.250 0.195 19212 1946 1 11 . 1 1 18 18 THR H H 18 7.660 7.660 7.910 -0.250 19212 1947 1 11 . 1 1 19 19 CYS N N 19 119.038 119.038 115.417 3.621 19212 1948 1 11 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.118 0.524 19212 1949 1 11 . 1 1 19 19 CYS H H 19 8.520 8.520 7.668 0.852 19212 1950 1 11 . 1 1 20 20 LYS N N 20 118.354 118.354 117.837 0.517 19212 1951 1 11 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.686 0.259 19212 1952 1 11 . 1 1 20 20 LYS H H 20 7.878 7.878 7.319 0.559 19212 1953 1 11 . 1 1 21 21 LEU N N 21 120.405 120.405 120.730 -0.325 19212 1954 1 11 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.451 -0.166 19212 1955 1 11 . 1 1 21 21 LEU H H 21 9.127 9.127 8.604 0.523 19212 1956 1 11 . 1 1 22 22 ARG N N 22 122.457 122.457 126.008 -3.551 19212 1957 1 11 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.393 0.055 19212 1958 1 11 . 1 1 22 22 ARG H H 22 8.403 8.403 8.165 0.238 19212 1959 1 11 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.575 -0.186 19212 1960 1 11 . 1 1 24 24 GLY N N 24 113.629 113.629 105.822 7.807 19212 1961 1 11 . 1 1 24 24 GLY H H 24 8.752 8.752 8.242 0.510 19212 1962 1 11 . 1 1 25 25 ALA N N 25 123.389 123.389 121.581 1.808 19212 1963 1 11 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.095 0.445 19212 1964 1 11 . 1 1 25 25 ALA H H 25 7.857 7.857 7.326 0.531 19212 1965 1 11 . 1 1 26 26 GLN N N 26 117.396 117.396 122.088 -4.692 19212 1966 1 11 . 1 1 26 26 GLN HA H 26 4.113 4.113 3.955 0.158 19212 1967 1 11 . 1 1 26 26 GLN H H 26 8.745 8.745 8.423 0.322 19212 1968 1 11 . 1 1 27 27 CYS N N 27 113.256 113.256 112.107 1.149 19212 1969 1 11 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.658 -0.103 19212 1970 1 11 . 1 1 27 27 CYS H H 27 7.721 7.721 7.196 0.525 19212 1971 1 11 . 1 1 28 28 GLY N N 28 104.864 104.864 108.011 -3.147 19212 1972 1 11 . 1 1 28 28 GLY H H 28 9.086 9.086 8.918 0.168 19212 1973 1 11 . 1 1 29 29 GLU N N 29 118.034 118.034 117.871 0.163 19212 1974 1 11 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.536 0.246 19212 1975 1 11 . 1 1 29 29 GLU H H 29 7.762 7.762 7.607 0.155 19212 1976 1 11 . 1 1 30 30 GLY N N 30 108.470 108.470 108.364 0.106 19212 1977 1 11 . 1 1 30 30 GLY H H 30 8.315 8.315 8.221 0.094 19212 1978 1 11 . 1 1 31 31 LEU N N 31 120.903 120.903 121.160 -0.257 19212 1979 1 11 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.205 0.149 19212 1980 1 11 . 1 1 31 31 LEU H H 31 8.895 8.895 8.866 0.029 19212 1981 1 11 . 1 1 32 32 CYS N N 32 114.873 114.873 114.648 0.225 19212 1982 1 11 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.660 0.448 19212 1983 1 11 . 1 1 32 32 CYS H H 32 8.376 8.376 8.800 -0.424 19212 1984 1 11 . 1 1 33 33 CYS N N 33 121.151 121.151 121.667 -0.516 19212 1985 1 11 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.582 -0.291 19212 1986 1 11 . 1 1 33 33 CYS H H 33 7.291 7.291 7.562 -0.271 19212 1987 1 11 . 1 1 34 34 GLU N N 34 128.487 128.487 129.345 -0.858 19212 1988 1 11 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.591 0.091 19212 1989 1 11 . 1 1 34 34 GLU H H 34 9.652 9.652 8.246 1.406 19212 1990 1 11 . 1 1 35 35 GLN N N 35 125.441 125.441 120.318 5.123 19212 1991 1 11 . 1 1 35 35 GLN HA H 35 3.999 3.999 4.019 -0.020 19212 1992 1 11 . 1 1 35 35 GLN H H 35 9.373 9.373 8.979 0.394 19212 1993 1 11 . 1 1 36 36 CYS N N 36 105.424 105.424 113.367 -7.943 19212 1994 1 11 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.195 0.606 19212 1995 1 11 . 1 1 36 36 CYS H H 36 8.410 8.410 8.338 0.072 19212 1996 1 11 . 1 1 37 37 LYS N N 37 120.965 120.965 117.906 3.059 19212 1997 1 11 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.385 0.318 19212 1998 1 11 . 1 1 37 37 LYS H H 37 7.939 7.939 7.259 0.680 19212 1999 1 11 . 1 1 38 38 PHE N N 38 119.722 119.722 119.447 0.275 19212 2000 1 11 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.752 0.390 19212 2001 1 11 . 1 1 38 38 PHE H H 38 8.192 8.192 8.419 -0.227 19212 2002 1 11 . 1 1 39 39 SER N N 39 121.524 121.524 120.009 1.515 19212 2003 1 11 . 1 1 39 39 SER HA H 39 4.274 4.274 4.402 -0.128 19212 2004 1 11 . 1 1 39 39 SER H H 39 8.963 8.963 8.848 0.115 19212 2005 1 11 . 1 1 40 40 ARG N N 40 121.711 121.711 119.885 1.826 19212 2006 1 11 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.472 -0.371 19212 2007 1 11 . 1 1 40 40 ARG H H 40 8.485 8.485 8.444 0.041 19212 2008 1 11 . 1 1 41 41 ALA N N 41 123.576 123.576 121.626 1.950 19212 2009 1 11 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.578 -0.854 19212 2010 1 11 . 1 1 41 41 ALA H H 41 8.417 8.417 8.333 0.084 19212 2011 1 11 . 1 1 42 42 GLY N N 42 110.397 110.397 107.447 2.950 19212 2012 1 11 . 1 1 42 42 GLY H H 42 8.520 8.520 8.386 0.134 19212 2013 1 11 . 1 1 43 43 LYS N N 43 122.643 122.643 120.253 2.390 19212 2014 1 11 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.547 -0.398 19212 2015 1 11 . 1 1 43 43 LYS H H 43 7.441 7.441 7.321 0.120 19212 2016 1 11 . 1 1 44 44 ILE N N 44 128.798 128.798 129.271 -0.473 19212 2017 1 11 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.258 -0.136 19212 2018 1 11 . 1 1 44 44 ILE H H 44 8.793 8.793 8.797 -0.004 19212 2019 1 11 . 1 1 45 45 CYS N N 45 123.700 123.700 125.029 -1.329 19212 2020 1 11 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.649 0.523 19212 2021 1 11 . 1 1 45 45 CYS H H 45 9.325 9.325 9.341 -0.016 19212 2022 1 11 . 1 1 46 46 ARG N N 46 123.265 123.265 119.466 3.799 19212 2023 1 11 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.581 -0.139 19212 2024 1 11 . 1 1 46 46 ARG H H 46 7.475 7.475 7.494 -0.019 19212 2025 1 11 . 1 1 47 47 ILE N N 47 127.244 127.244 124.076 3.168 19212 2026 1 11 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.509 -0.255 19212 2027 1 11 . 1 1 47 47 ILE H H 47 8.417 8.417 8.529 -0.112 19212 2028 1 11 . 1 1 48 48 ALA N N 48 130.660 130.660 131.090 -0.430 19212 2029 1 11 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.648 -0.403 19212 2030 1 11 . 1 1 48 48 ALA H H 48 9.322 9.322 8.343 0.979 19212 2031 1 11 . 1 1 49 49 ARG N N 49 120.352 120.352 121.669 -1.317 19212 2032 1 11 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.277 0.130 19212 2033 1 11 . 1 1 49 49 ARG H H 49 8.150 8.150 8.662 -0.512 19212 2034 1 11 . 1 1 50 50 GLY N N 50 108.819 108.819 113.544 -4.725 19212 2035 1 11 . 1 1 50 50 GLY H H 50 7.329 7.329 8.429 -1.100 19212 2036 1 11 . 1 1 51 51 ASP N N 51 121.337 121.337 117.127 4.210 19212 2037 1 11 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.336 0.225 19212 2038 1 11 . 1 1 51 51 ASP H H 51 8.090 8.090 7.330 0.760 19212 2039 1 11 . 1 1 52 52 TRP N N 52 119.227 119.227 120.863 -1.636 19212 2040 1 11 . 1 1 52 52 TRP HA H 52 4.640 4.640 4.614 0.026 19212 2041 1 11 . 1 1 52 52 TRP H H 52 7.812 7.812 7.335 0.477 19212 2042 1 11 . 1 1 53 53 ASN N N 53 116.695 116.695 121.165 -4.470 19212 2043 1 11 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.531 0.219 19212 2044 1 11 . 1 1 53 53 ASN H H 53 8.310 8.310 8.408 -0.098 19212 2045 1 11 . 1 1 54 54 ASP N N 54 119.908 119.908 118.859 1.049 19212 2046 1 11 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.648 0.171 19212 2047 1 11 . 1 1 54 54 ASP H H 54 8.090 8.090 8.364 -0.274 19212 2048 1 11 . 1 1 55 55 ASP N N 55 121.524 121.524 120.996 0.528 19212 2049 1 11 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.852 0.171 19212 2050 1 11 . 1 1 55 55 ASP H H 55 8.520 8.520 8.956 -0.436 19212 2051 1 11 . 1 1 56 56 ARG N N 56 119.970 119.970 122.788 -2.818 19212 2052 1 11 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.950 0.341 19212 2053 1 11 . 1 1 56 56 ARG H H 56 8.533 8.533 8.464 0.069 19212 2054 1 11 . 1 1 57 57 CYS N N 57 119.286 119.286 122.329 -3.043 19212 2055 1 11 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.385 0.471 19212 2056 1 11 . 1 1 57 57 CYS H H 57 9.222 9.222 8.921 0.301 19212 2057 1 11 . 1 1 58 58 THR N N 58 113.194 113.194 116.237 -3.043 19212 2058 1 11 . 1 1 58 58 THR HA H 58 4.442 4.442 4.162 0.280 19212 2059 1 11 . 1 1 58 58 THR H H 58 10.048 10.048 8.944 1.104 19212 2060 1 11 . 1 1 59 59 GLY N N 59 111.765 111.765 108.210 3.555 19212 2061 1 11 . 1 1 59 59 GLY H H 59 8.458 8.458 8.544 -0.086 19212 2062 1 11 . 1 1 60 60 GLN N N 60 114.377 114.377 115.827 -1.450 19212 2063 1 11 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.155 0.143 19212 2064 1 11 . 1 1 60 60 GLN H H 60 7.857 7.857 8.056 -0.199 19212 2065 1 11 . 1 1 61 61 SER N N 61 110.770 110.770 115.153 -4.383 19212 2066 1 11 . 1 1 61 61 SER HA H 61 3.880 3.880 4.237 -0.357 19212 2067 1 11 . 1 1 61 61 SER H H 61 6.540 6.540 7.457 -0.916 19212 2068 1 11 . 1 1 62 62 ALA N N 62 125.565 125.565 128.863 -3.298 19212 2069 1 11 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.280 0.155 19212 2070 1 11 . 1 1 62 62 ALA H H 62 8.936 8.936 8.763 0.173 19212 2071 1 11 . 1 1 63 63 ASP N N 63 117.546 117.546 115.668 1.878 19212 2072 1 11 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.722 0.173 19212 2073 1 11 . 1 1 63 63 ASP H H 63 8.117 8.117 8.093 0.024 19212 2074 1 11 . 1 1 64 64 CYS N N 64 121.338 121.338 119.918 1.420 19212 2075 1 11 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.867 0.574 19212 2076 1 11 . 1 1 64 64 CYS H H 64 8.868 8.868 8.374 0.494 19212 2077 1 11 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.553 -0.192 19212 2078 1 11 . 1 1 66 66 ARG N N 66 119.930 119.930 118.104 1.826 19212 2079 1 11 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.673 -0.287 19212 2080 1 11 . 1 1 66 66 ARG H H 66 8.232 8.232 8.197 0.035 19212 2081 1 11 . 1 1 67 67 ASN N N 67 124.642 124.642 120.061 4.581 19212 2082 1 11 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.932 -0.148 19212 2083 1 11 . 1 1 67 67 ASN H H 67 8.887 8.887 8.541 0.346 19212 2084 1 11 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.199 0.114 19212 2085 1 11 . 1 1 69 69 TRP N N 69 118.875 118.875 118.998 -0.123 19212 2086 1 11 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.540 0.014 19212 2087 1 11 . 1 1 69 69 TRP H H 69 7.941 7.941 7.203 0.738 19212 2088 1 11 . 1 1 70 70 ASN N N 70 119.579 119.579 120.068 -0.489 19212 2089 1 11 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.835 -0.128 19212 2090 1 11 . 1 1 70 70 ASN H H 70 7.866 7.866 8.142 -0.276 19212 2091 1 12 . 1 1 2 2 LYS N N 2 121.151 121.151 124.081 -2.930 19212 2092 1 12 . 1 1 2 2 LYS H H 2 8.253 8.253 8.385 -0.132 19212 2093 1 12 . 1 1 3 3 GLU N N 3 121.214 121.214 117.921 3.293 19212 2094 1 12 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.278 0.044 19212 2095 1 12 . 1 1 3 3 GLU H H 3 8.581 8.581 8.185 0.396 19212 2096 1 12 . 1 1 4 4 CYS N N 4 119.597 119.597 120.385 -0.788 19212 2097 1 12 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.727 0.248 19212 2098 1 12 . 1 1 4 4 CYS H H 4 8.028 8.028 7.687 0.341 19212 2099 1 12 . 1 1 5 5 ASP N N 5 119.597 119.597 126.531 -6.934 19212 2100 1 12 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.874 -0.057 19212 2101 1 12 . 1 1 5 5 ASP H H 5 8.690 8.690 8.811 -0.121 19212 2102 1 12 . 1 1 6 6 CYS N N 6 112.573 112.573 116.781 -4.208 19212 2103 1 12 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.847 0.084 19212 2104 1 12 . 1 1 6 6 CYS H H 6 6.888 6.888 7.495 -0.607 19212 2105 1 12 . 1 1 7 7 SER N N 7 119.349 119.349 118.537 0.812 19212 2106 1 12 . 1 1 7 7 SER HA H 7 4.226 4.226 4.326 -0.100 19212 2107 1 12 . 1 1 7 7 SER H H 7 9.584 9.584 8.644 0.940 19212 2108 1 12 . 1 1 8 8 SER N N 8 115.557 115.557 119.774 -4.217 19212 2109 1 12 . 1 1 8 8 SER HA H 8 5.137 5.137 4.672 0.465 19212 2110 1 12 . 1 1 8 8 SER H H 8 7.776 7.776 7.838 -0.062 19212 2111 1 12 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.385 0.174 19212 2112 1 12 . 1 1 10 10 GLU N N 10 116.738 116.738 116.566 0.172 19212 2113 1 12 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.319 -0.025 19212 2114 1 12 . 1 1 10 10 GLU H H 10 8.165 8.165 8.293 -0.128 19212 2115 1 12 . 1 1 11 11 ASN N N 11 120.592 120.592 119.619 0.973 19212 2116 1 12 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.993 -0.199 19212 2117 1 12 . 1 1 11 11 ASN H H 11 7.175 7.175 7.571 -0.396 19212 2118 1 12 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.455 0.249 19212 2119 1 12 . 1 1 13 13 CYS N N 13 117.795 117.795 117.329 0.466 19212 2120 1 12 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.398 0.250 19212 2121 1 12 . 1 1 13 13 CYS H H 13 8.847 8.847 8.379 0.468 19212 2122 1 12 . 1 1 14 14 CYS N N 14 112.262 112.262 119.617 -7.355 19212 2123 1 12 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.853 0.203 19212 2124 1 12 . 1 1 14 14 CYS H H 14 7.448 7.448 7.667 -0.219 19212 2125 1 12 . 1 1 15 15 ASP N N 15 121.027 121.027 126.324 -5.297 19212 2126 1 12 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.517 0.053 19212 2127 1 12 . 1 1 15 15 ASP H H 15 8.130 8.130 8.488 -0.358 19212 2128 1 12 . 1 1 16 16 ALA N N 16 130.920 130.920 130.558 0.362 19212 2129 1 12 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.073 0.075 19212 2130 1 12 . 1 1 16 16 ALA H H 16 8.915 8.915 8.761 0.154 19212 2131 1 12 . 1 1 17 17 ALA N N 17 117.732 117.732 121.554 -3.822 19212 2132 1 12 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.005 0.356 19212 2133 1 12 . 1 1 17 17 ALA H H 17 8.588 8.588 8.586 0.002 19212 2134 1 12 . 1 1 18 18 THR N N 18 105.299 105.299 106.080 -0.781 19212 2135 1 12 . 1 1 18 18 THR HA H 18 4.445 4.445 4.240 0.205 19212 2136 1 12 . 1 1 18 18 THR H H 18 7.660 7.660 7.581 0.079 19212 2137 1 12 . 1 1 19 19 CYS N N 19 119.038 119.038 119.842 -0.804 19212 2138 1 12 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.114 0.528 19212 2139 1 12 . 1 1 19 19 CYS H H 19 8.520 8.520 8.581 -0.061 19212 2140 1 12 . 1 1 20 20 LYS N N 20 118.354 118.354 116.862 1.492 19212 2141 1 12 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.734 0.211 19212 2142 1 12 . 1 1 20 20 LYS H H 20 7.878 7.878 7.937 -0.059 19212 2143 1 12 . 1 1 21 21 LEU N N 21 120.405 120.405 120.350 0.055 19212 2144 1 12 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.534 -0.249 19212 2145 1 12 . 1 1 21 21 LEU H H 21 9.127 9.127 8.510 0.617 19212 2146 1 12 . 1 1 22 22 ARG N N 22 122.457 122.457 125.908 -3.451 19212 2147 1 12 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.282 0.166 19212 2148 1 12 . 1 1 22 22 ARG H H 22 8.403 8.403 8.281 0.122 19212 2149 1 12 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.556 -0.167 19212 2150 1 12 . 1 1 24 24 GLY N N 24 113.629 113.629 106.490 7.139 19212 2151 1 12 . 1 1 24 24 GLY H H 24 8.752 8.752 8.232 0.520 19212 2152 1 12 . 1 1 25 25 ALA N N 25 123.389 123.389 121.773 1.616 19212 2153 1 12 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.164 0.376 19212 2154 1 12 . 1 1 25 25 ALA H H 25 7.857 7.857 7.368 0.489 19212 2155 1 12 . 1 1 26 26 GLN N N 26 117.396 117.396 119.745 -2.349 19212 2156 1 12 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.021 0.092 19212 2157 1 12 . 1 1 26 26 GLN H H 26 8.745 8.745 8.257 0.488 19212 2158 1 12 . 1 1 27 27 CYS N N 27 113.256 113.256 115.104 -1.848 19212 2159 1 12 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.733 -0.178 19212 2160 1 12 . 1 1 27 27 CYS H H 27 7.721 7.721 7.736 -0.015 19212 2161 1 12 . 1 1 28 28 GLY N N 28 104.864 104.864 109.222 -4.358 19212 2162 1 12 . 1 1 28 28 GLY H H 28 9.086 9.086 8.581 0.505 19212 2163 1 12 . 1 1 29 29 GLU N N 29 118.034 118.034 118.220 -0.186 19212 2164 1 12 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.555 0.227 19212 2165 1 12 . 1 1 29 29 GLU H H 29 7.762 7.762 7.571 0.191 19212 2166 1 12 . 1 1 30 30 GLY N N 30 108.470 108.470 109.741 -1.271 19212 2167 1 12 . 1 1 30 30 GLY H H 30 8.315 8.315 8.212 0.103 19212 2168 1 12 . 1 1 31 31 LEU N N 31 120.903 120.903 121.903 -1.000 19212 2169 1 12 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.179 0.175 19212 2170 1 12 . 1 1 31 31 LEU H H 31 8.895 8.895 8.656 0.239 19212 2171 1 12 . 1 1 32 32 CYS N N 32 114.873 114.873 118.390 -3.517 19212 2172 1 12 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.611 0.497 19212 2173 1 12 . 1 1 32 32 CYS H H 32 8.376 8.376 8.745 -0.369 19212 2174 1 12 . 1 1 33 33 CYS N N 33 121.151 121.151 121.844 -0.693 19212 2175 1 12 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.438 -0.147 19212 2176 1 12 . 1 1 33 33 CYS H H 33 7.291 7.291 7.793 -0.502 19212 2177 1 12 . 1 1 34 34 GLU N N 34 128.487 128.487 124.774 3.713 19212 2178 1 12 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.515 0.167 19212 2179 1 12 . 1 1 34 34 GLU H H 34 9.652 9.652 8.505 1.147 19212 2180 1 12 . 1 1 35 35 GLN N N 35 125.441 125.441 123.568 1.873 19212 2181 1 12 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.951 0.048 19212 2182 1 12 . 1 1 35 35 GLN H H 35 9.373 9.373 9.239 0.134 19212 2183 1 12 . 1 1 36 36 CYS N N 36 105.424 105.424 112.912 -7.488 19212 2184 1 12 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.216 0.585 19212 2185 1 12 . 1 1 36 36 CYS H H 36 8.410 8.410 8.501 -0.091 19212 2186 1 12 . 1 1 37 37 LYS N N 37 120.965 120.965 118.048 2.917 19212 2187 1 12 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.560 0.143 19212 2188 1 12 . 1 1 37 37 LYS H H 37 7.939 7.939 7.528 0.411 19212 2189 1 12 . 1 1 38 38 PHE N N 38 119.722 119.722 121.688 -1.966 19212 2190 1 12 . 1 1 38 38 PHE HA H 38 5.141 5.141 5.156 -0.015 19212 2191 1 12 . 1 1 38 38 PHE H H 38 8.192 8.192 8.735 -0.543 19212 2192 1 12 . 1 1 39 39 SER N N 39 121.524 121.524 120.210 1.314 19212 2193 1 12 . 1 1 39 39 SER HA H 39 4.274 4.274 4.286 -0.012 19212 2194 1 12 . 1 1 39 39 SER H H 39 8.963 8.963 9.032 -0.069 19212 2195 1 12 . 1 1 40 40 ARG N N 40 121.711 121.711 119.825 1.886 19212 2196 1 12 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.473 -0.372 19212 2197 1 12 . 1 1 40 40 ARG H H 40 8.485 8.485 8.331 0.154 19212 2198 1 12 . 1 1 41 41 ALA N N 41 123.576 123.576 122.620 0.956 19212 2199 1 12 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.358 -0.634 19212 2200 1 12 . 1 1 41 41 ALA H H 41 8.417 8.417 8.175 0.242 19212 2201 1 12 . 1 1 42 42 GLY N N 42 110.397 110.397 106.156 4.241 19212 2202 1 12 . 1 1 42 42 GLY H H 42 8.520 8.520 8.432 0.088 19212 2203 1 12 . 1 1 43 43 LYS N N 43 122.643 122.643 120.075 2.568 19212 2204 1 12 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.568 -0.419 19212 2205 1 12 . 1 1 43 43 LYS H H 43 7.441 7.441 7.294 0.147 19212 2206 1 12 . 1 1 44 44 ILE N N 44 128.798 128.798 129.709 -0.911 19212 2207 1 12 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.305 -0.183 19212 2208 1 12 . 1 1 44 44 ILE H H 44 8.793 8.793 8.850 -0.057 19212 2209 1 12 . 1 1 45 45 CYS N N 45 123.700 123.700 122.803 0.897 19212 2210 1 12 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.219 0.953 19212 2211 1 12 . 1 1 45 45 CYS H H 45 9.325 9.325 8.760 0.565 19212 2212 1 12 . 1 1 46 46 ARG N N 46 123.265 123.265 117.826 5.439 19212 2213 1 12 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.557 -0.115 19212 2214 1 12 . 1 1 46 46 ARG H H 46 7.475 7.475 7.352 0.123 19212 2215 1 12 . 1 1 47 47 ILE N N 47 127.244 127.244 122.817 4.427 19212 2216 1 12 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.185 0.069 19212 2217 1 12 . 1 1 47 47 ILE H H 47 8.417 8.417 8.427 -0.010 19212 2218 1 12 . 1 1 48 48 ALA N N 48 130.660 130.660 131.324 -0.664 19212 2219 1 12 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.507 -0.262 19212 2220 1 12 . 1 1 48 48 ALA H H 48 9.322 9.322 8.304 1.018 19212 2221 1 12 . 1 1 49 49 ARG N N 49 120.352 120.352 124.709 -4.357 19212 2222 1 12 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.445 -0.038 19212 2223 1 12 . 1 1 49 49 ARG H H 49 8.150 8.150 9.621 -1.471 19212 2224 1 12 . 1 1 50 50 GLY N N 50 108.819 108.819 114.230 -5.411 19212 2225 1 12 . 1 1 50 50 GLY H H 50 7.329 7.329 7.895 -0.566 19212 2226 1 12 . 1 1 51 51 ASP N N 51 121.337 121.337 118.412 2.925 19212 2227 1 12 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.486 0.075 19212 2228 1 12 . 1 1 51 51 ASP H H 51 8.090 8.090 6.853 1.237 19212 2229 1 12 . 1 1 52 52 TRP N N 52 119.227 119.227 121.282 -2.055 19212 2230 1 12 . 1 1 52 52 TRP HA H 52 4.640 4.640 5.060 -0.420 19212 2231 1 12 . 1 1 52 52 TRP H H 52 7.812 7.812 7.174 0.638 19212 2232 1 12 . 1 1 53 53 ASN N N 53 116.695 116.695 121.305 -4.610 19212 2233 1 12 . 1 1 53 53 ASN HA H 53 4.750 4.750 5.008 -0.258 19212 2234 1 12 . 1 1 53 53 ASN H H 53 8.310 8.310 8.623 -0.313 19212 2235 1 12 . 1 1 54 54 ASP N N 54 119.908 119.908 120.891 -0.983 19212 2236 1 12 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.787 0.032 19212 2237 1 12 . 1 1 54 54 ASP H H 54 8.090 8.090 8.534 -0.444 19212 2238 1 12 . 1 1 55 55 ASP N N 55 121.524 121.524 119.912 1.612 19212 2239 1 12 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.769 0.254 19212 2240 1 12 . 1 1 55 55 ASP H H 55 8.520 8.520 8.765 -0.245 19212 2241 1 12 . 1 1 56 56 ARG N N 56 119.970 119.970 123.287 -3.317 19212 2242 1 12 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.635 0.656 19212 2243 1 12 . 1 1 56 56 ARG H H 56 8.533 8.533 8.433 0.100 19212 2244 1 12 . 1 1 57 57 CYS N N 57 119.286 119.286 124.767 -5.481 19212 2245 1 12 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.413 0.443 19212 2246 1 12 . 1 1 57 57 CYS H H 57 9.222 9.222 9.000 0.222 19212 2247 1 12 . 1 1 58 58 THR N N 58 113.194 113.194 116.607 -3.413 19212 2248 1 12 . 1 1 58 58 THR HA H 58 4.442 4.442 4.197 0.245 19212 2249 1 12 . 1 1 58 58 THR H H 58 10.048 10.048 9.022 1.026 19212 2250 1 12 . 1 1 59 59 GLY N N 59 111.765 111.765 109.385 2.380 19212 2251 1 12 . 1 1 59 59 GLY H H 59 8.458 8.458 7.909 0.549 19212 2252 1 12 . 1 1 60 60 GLN N N 60 114.377 114.377 120.754 -6.377 19212 2253 1 12 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.622 -0.324 19212 2254 1 12 . 1 1 60 60 GLN H H 60 7.857 7.857 7.800 0.057 19212 2255 1 12 . 1 1 61 61 SER N N 61 110.770 110.770 115.314 -4.544 19212 2256 1 12 . 1 1 61 61 SER HA H 61 3.880 3.880 4.241 -0.361 19212 2257 1 12 . 1 1 61 61 SER H H 61 6.540 6.540 7.495 -0.955 19212 2258 1 12 . 1 1 62 62 ALA N N 62 125.565 125.565 127.479 -1.914 19212 2259 1 12 . 1 1 62 62 ALA HA H 62 4.435 4.435 3.610 0.825 19212 2260 1 12 . 1 1 62 62 ALA H H 62 8.936 8.936 8.126 0.810 19212 2261 1 12 . 1 1 63 63 ASP N N 63 117.546 117.546 115.202 2.344 19212 2262 1 12 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.617 0.278 19212 2263 1 12 . 1 1 63 63 ASP H H 63 8.117 8.117 7.737 0.380 19212 2264 1 12 . 1 1 64 64 CYS N N 64 121.338 121.338 118.373 2.965 19212 2265 1 12 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.806 0.635 19212 2266 1 12 . 1 1 64 64 CYS H H 64 8.868 8.868 8.172 0.696 19212 2267 1 12 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.491 -0.130 19212 2268 1 12 . 1 1 66 66 ARG N N 66 119.930 119.930 120.104 -0.174 19212 2269 1 12 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.543 -0.157 19212 2270 1 12 . 1 1 66 66 ARG H H 66 8.232 8.232 8.092 0.140 19212 2271 1 12 . 1 1 67 67 ASN N N 67 124.642 124.642 119.889 4.753 19212 2272 1 12 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.613 0.171 19212 2273 1 12 . 1 1 67 67 ASN H H 67 8.887 8.887 8.506 0.381 19212 2274 1 12 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.254 0.059 19212 2275 1 12 . 1 1 69 69 TRP N N 69 118.875 118.875 118.994 -0.119 19212 2276 1 12 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.747 -0.193 19212 2277 1 12 . 1 1 69 69 TRP H H 69 7.941 7.941 7.588 0.353 19212 2278 1 12 . 1 1 70 70 ASN N N 70 119.579 119.579 116.715 2.864 19212 2279 1 12 . 1 1 70 70 ASN HA H 70 4.707 4.707 5.140 -0.433 19212 2280 1 12 . 1 1 70 70 ASN H H 70 7.866 7.866 7.561 0.305 19212 2281 1 13 . 1 1 2 2 LYS N N 2 121.151 121.151 119.672 1.479 19212 2282 1 13 . 1 1 2 2 LYS H H 2 8.253 8.253 8.494 -0.241 19212 2283 1 13 . 1 1 3 3 GLU N N 3 121.214 121.214 119.118 2.096 19212 2284 1 13 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.527 -0.205 19212 2285 1 13 . 1 1 3 3 GLU H H 3 8.581 8.581 8.509 0.072 19212 2286 1 13 . 1 1 4 4 CYS N N 4 119.597 119.597 117.595 2.002 19212 2287 1 13 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.846 0.129 19212 2288 1 13 . 1 1 4 4 CYS H H 4 8.028 8.028 7.997 0.031 19212 2289 1 13 . 1 1 5 5 ASP N N 5 119.597 119.597 124.848 -5.251 19212 2290 1 13 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.616 0.201 19212 2291 1 13 . 1 1 5 5 ASP H H 5 8.690 8.690 8.771 -0.081 19212 2292 1 13 . 1 1 6 6 CYS N N 6 112.573 112.573 113.302 -0.729 19212 2293 1 13 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.954 -0.023 19212 2294 1 13 . 1 1 6 6 CYS H H 6 6.888 6.888 7.922 -1.034 19212 2295 1 13 . 1 1 7 7 SER N N 7 119.349 119.349 115.677 3.672 19212 2296 1 13 . 1 1 7 7 SER HA H 7 4.226 4.226 4.606 -0.380 19212 2297 1 13 . 1 1 7 7 SER H H 7 9.584 9.584 8.715 0.869 19212 2298 1 13 . 1 1 8 8 SER N N 8 115.557 115.557 118.844 -3.287 19212 2299 1 13 . 1 1 8 8 SER HA H 8 5.137 5.137 4.861 0.276 19212 2300 1 13 . 1 1 8 8 SER H H 8 7.776 7.776 7.892 -0.116 19212 2301 1 13 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.482 0.077 19212 2302 1 13 . 1 1 10 10 GLU N N 10 116.738 116.738 117.369 -0.631 19212 2303 1 13 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.129 0.165 19212 2304 1 13 . 1 1 10 10 GLU H H 10 8.165 8.165 8.175 -0.010 19212 2305 1 13 . 1 1 11 11 ASN N N 11 120.592 120.592 119.766 0.826 19212 2306 1 13 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.806 -0.012 19212 2307 1 13 . 1 1 11 11 ASN H H 11 7.175 7.175 8.066 -0.891 19212 2308 1 13 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.469 0.235 19212 2309 1 13 . 1 1 13 13 CYS N N 13 117.795 117.795 116.506 1.289 19212 2310 1 13 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.334 0.314 19212 2311 1 13 . 1 1 13 13 CYS H H 13 8.847 8.847 8.459 0.388 19212 2312 1 13 . 1 1 14 14 CYS N N 14 112.262 112.262 115.953 -3.691 19212 2313 1 13 . 1 1 14 14 CYS HA H 14 5.056 5.056 5.120 -0.064 19212 2314 1 13 . 1 1 14 14 CYS H H 14 7.448 7.448 7.415 0.033 19212 2315 1 13 . 1 1 15 15 ASP N N 15 121.027 121.027 123.403 -2.376 19212 2316 1 13 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.607 -0.037 19212 2317 1 13 . 1 1 15 15 ASP H H 15 8.130 8.130 8.667 -0.537 19212 2318 1 13 . 1 1 16 16 ALA N N 16 130.920 130.920 128.641 2.279 19212 2319 1 13 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.120 0.028 19212 2320 1 13 . 1 1 16 16 ALA H H 16 8.915 8.915 8.476 0.439 19212 2321 1 13 . 1 1 17 17 ALA N N 17 117.732 117.732 120.528 -2.796 19212 2322 1 13 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.205 0.156 19212 2323 1 13 . 1 1 17 17 ALA H H 17 8.588 8.588 7.986 0.602 19212 2324 1 13 . 1 1 18 18 THR N N 18 105.299 105.299 113.688 -8.389 19212 2325 1 13 . 1 1 18 18 THR HA H 18 4.445 4.445 4.357 0.088 19212 2326 1 13 . 1 1 18 18 THR H H 18 7.660 7.660 8.065 -0.405 19212 2327 1 13 . 1 1 19 19 CYS N N 19 119.038 119.038 115.161 3.877 19212 2328 1 13 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.195 0.447 19212 2329 1 13 . 1 1 19 19 CYS H H 19 8.520 8.520 7.623 0.897 19212 2330 1 13 . 1 1 20 20 LYS N N 20 118.354 118.354 118.546 -0.192 19212 2331 1 13 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.676 0.269 19212 2332 1 13 . 1 1 20 20 LYS H H 20 7.878 7.878 7.388 0.490 19212 2333 1 13 . 1 1 21 21 LEU N N 21 120.405 120.405 120.582 -0.177 19212 2334 1 13 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.523 -0.238 19212 2335 1 13 . 1 1 21 21 LEU H H 21 9.127 9.127 8.534 0.593 19212 2336 1 13 . 1 1 22 22 ARG N N 22 122.457 122.457 125.820 -3.363 19212 2337 1 13 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.341 0.107 19212 2338 1 13 . 1 1 22 22 ARG H H 22 8.403 8.403 8.226 0.177 19212 2339 1 13 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.530 -0.141 19212 2340 1 13 . 1 1 24 24 GLY N N 24 113.629 113.629 107.202 6.427 19212 2341 1 13 . 1 1 24 24 GLY H H 24 8.752 8.752 8.420 0.332 19212 2342 1 13 . 1 1 25 25 ALA N N 25 123.389 123.389 122.537 0.852 19212 2343 1 13 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.405 0.135 19212 2344 1 13 . 1 1 25 25 ALA H H 25 7.857 7.857 7.285 0.572 19212 2345 1 13 . 1 1 26 26 GLN N N 26 117.396 117.396 121.021 -3.625 19212 2346 1 13 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.022 0.091 19212 2347 1 13 . 1 1 26 26 GLN H H 26 8.745 8.745 8.597 0.148 19212 2348 1 13 . 1 1 27 27 CYS N N 27 113.256 113.256 115.529 -2.273 19212 2349 1 13 . 1 1 27 27 CYS HA H 27 4.555 4.555 5.124 -0.569 19212 2350 1 13 . 1 1 27 27 CYS H H 27 7.721 7.721 7.659 0.062 19212 2351 1 13 . 1 1 28 28 GLY N N 28 104.864 104.864 109.455 -4.591 19212 2352 1 13 . 1 1 28 28 GLY H H 28 9.086 9.086 8.716 0.370 19212 2353 1 13 . 1 1 29 29 GLU N N 29 118.034 118.034 118.062 -0.028 19212 2354 1 13 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.549 0.233 19212 2355 1 13 . 1 1 29 29 GLU H H 29 7.762 7.762 7.551 0.211 19212 2356 1 13 . 1 1 30 30 GLY N N 30 108.470 108.470 108.509 -0.039 19212 2357 1 13 . 1 1 30 30 GLY H H 30 8.315 8.315 8.103 0.212 19212 2358 1 13 . 1 1 31 31 LEU N N 31 120.903 120.903 121.582 -0.679 19212 2359 1 13 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.104 0.250 19212 2360 1 13 . 1 1 31 31 LEU H H 31 8.895 8.895 8.804 0.091 19212 2361 1 13 . 1 1 32 32 CYS N N 32 114.873 114.873 118.060 -3.187 19212 2362 1 13 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.557 0.551 19212 2363 1 13 . 1 1 32 32 CYS H H 32 8.376 8.376 8.606 -0.230 19212 2364 1 13 . 1 1 33 33 CYS N N 33 121.151 121.151 122.411 -1.260 19212 2365 1 13 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.319 -0.028 19212 2366 1 13 . 1 1 33 33 CYS H H 33 7.291 7.291 7.705 -0.414 19212 2367 1 13 . 1 1 34 34 GLU N N 34 128.487 128.487 126.443 2.044 19212 2368 1 13 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.518 0.164 19212 2369 1 13 . 1 1 34 34 GLU H H 34 9.652 9.652 8.531 1.121 19212 2370 1 13 . 1 1 35 35 GLN N N 35 125.441 125.441 120.262 5.179 19212 2371 1 13 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.988 0.011 19212 2372 1 13 . 1 1 35 35 GLN H H 35 9.373 9.373 9.045 0.328 19212 2373 1 13 . 1 1 36 36 CYS N N 36 105.424 105.424 112.991 -7.567 19212 2374 1 13 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.247 0.554 19212 2375 1 13 . 1 1 36 36 CYS H H 36 8.410 8.410 8.477 -0.067 19212 2376 1 13 . 1 1 37 37 LYS N N 37 120.965 120.965 117.975 2.990 19212 2377 1 13 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.957 -0.254 19212 2378 1 13 . 1 1 37 37 LYS H H 37 7.939 7.939 7.410 0.529 19212 2379 1 13 . 1 1 38 38 PHE N N 38 119.722 119.722 121.340 -1.618 19212 2380 1 13 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.861 0.280 19212 2381 1 13 . 1 1 38 38 PHE H H 38 8.192 8.192 8.335 -0.143 19212 2382 1 13 . 1 1 39 39 SER N N 39 121.524 121.524 120.191 1.333 19212 2383 1 13 . 1 1 39 39 SER HA H 39 4.274 4.274 4.387 -0.113 19212 2384 1 13 . 1 1 39 39 SER H H 39 8.963 8.963 8.906 0.057 19212 2385 1 13 . 1 1 40 40 ARG N N 40 121.711 121.711 119.709 2.002 19212 2386 1 13 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.448 -0.347 19212 2387 1 13 . 1 1 40 40 ARG H H 40 8.485 8.485 8.605 -0.120 19212 2388 1 13 . 1 1 41 41 ALA N N 41 123.576 123.576 121.678 1.898 19212 2389 1 13 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.138 -0.414 19212 2390 1 13 . 1 1 41 41 ALA H H 41 8.417 8.417 8.233 0.184 19212 2391 1 13 . 1 1 42 42 GLY N N 42 110.397 110.397 106.997 3.400 19212 2392 1 13 . 1 1 42 42 GLY H H 42 8.520 8.520 8.882 -0.362 19212 2393 1 13 . 1 1 43 43 LYS N N 43 122.643 122.643 120.295 2.348 19212 2394 1 13 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.543 -0.394 19212 2395 1 13 . 1 1 43 43 LYS H H 43 7.441 7.441 7.308 0.133 19212 2396 1 13 . 1 1 44 44 ILE N N 44 128.798 128.798 128.084 0.714 19212 2397 1 13 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.044 0.078 19212 2398 1 13 . 1 1 44 44 ILE H H 44 8.793 8.793 8.829 -0.036 19212 2399 1 13 . 1 1 45 45 CYS N N 45 123.700 123.700 122.959 0.741 19212 2400 1 13 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.728 0.444 19212 2401 1 13 . 1 1 45 45 CYS H H 45 9.325 9.325 8.565 0.760 19212 2402 1 13 . 1 1 46 46 ARG N N 46 123.265 123.265 118.391 4.874 19212 2403 1 13 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.612 -0.170 19212 2404 1 13 . 1 1 46 46 ARG H H 46 7.475 7.475 7.522 -0.047 19212 2405 1 13 . 1 1 47 47 ILE N N 47 127.244 127.244 118.681 8.563 19212 2406 1 13 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.663 -0.409 19212 2407 1 13 . 1 1 47 47 ILE H H 47 8.417 8.417 8.437 -0.020 19212 2408 1 13 . 1 1 48 48 ALA N N 48 130.660 130.660 128.401 2.259 19212 2409 1 13 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.823 -0.578 19212 2410 1 13 . 1 1 48 48 ALA H H 48 9.322 9.322 8.362 0.960 19212 2411 1 13 . 1 1 49 49 ARG N N 49 120.352 120.352 118.239 2.113 19212 2412 1 13 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.351 0.056 19212 2413 1 13 . 1 1 49 49 ARG H H 49 8.150 8.150 7.195 0.955 19212 2414 1 13 . 1 1 50 50 GLY N N 50 108.819 108.819 108.121 0.698 19212 2415 1 13 . 1 1 50 50 GLY H H 50 7.329 7.329 6.981 0.348 19212 2416 1 13 . 1 1 51 51 ASP N N 51 121.337 121.337 119.971 1.366 19212 2417 1 13 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.580 -0.019 19212 2418 1 13 . 1 1 51 51 ASP H H 51 8.090 8.090 8.279 -0.189 19212 2419 1 13 . 1 1 52 52 TRP N N 52 119.227 119.227 116.918 2.309 19212 2420 1 13 . 1 1 52 52 TRP HA H 52 4.640 4.640 5.109 -0.469 19212 2421 1 13 . 1 1 52 52 TRP H H 52 7.812 7.812 6.623 1.189 19212 2422 1 13 . 1 1 53 53 ASN N N 53 116.695 116.695 117.175 -0.480 19212 2423 1 13 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.710 0.040 19212 2424 1 13 . 1 1 53 53 ASN H H 53 8.310 8.310 8.498 -0.188 19212 2425 1 13 . 1 1 54 54 ASP N N 54 119.908 119.908 119.129 0.779 19212 2426 1 13 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.759 0.060 19212 2427 1 13 . 1 1 54 54 ASP H H 54 8.090 8.090 8.515 -0.425 19212 2428 1 13 . 1 1 55 55 ASP N N 55 121.524 121.524 123.231 -1.707 19212 2429 1 13 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.726 0.297 19212 2430 1 13 . 1 1 55 55 ASP H H 55 8.520 8.520 8.169 0.351 19212 2431 1 13 . 1 1 56 56 ARG N N 56 119.970 119.970 119.510 0.460 19212 2432 1 13 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.894 0.397 19212 2433 1 13 . 1 1 56 56 ARG H H 56 8.533 8.533 8.463 0.070 19212 2434 1 13 . 1 1 57 57 CYS N N 57 119.286 119.286 123.193 -3.907 19212 2435 1 13 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.251 0.605 19212 2436 1 13 . 1 1 57 57 CYS H H 57 9.222 9.222 8.860 0.362 19212 2437 1 13 . 1 1 58 58 THR N N 58 113.194 113.194 121.074 -7.880 19212 2438 1 13 . 1 1 58 58 THR HA H 58 4.442 4.442 4.150 0.292 19212 2439 1 13 . 1 1 58 58 THR H H 58 10.048 10.048 9.034 1.014 19212 2440 1 13 . 1 1 59 59 GLY N N 59 111.765 111.765 110.015 1.750 19212 2441 1 13 . 1 1 59 59 GLY H H 59 8.458 8.458 7.641 0.817 19212 2442 1 13 . 1 1 60 60 GLN N N 60 114.377 114.377 119.895 -5.518 19212 2443 1 13 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.759 -0.461 19212 2444 1 13 . 1 1 60 60 GLN H H 60 7.857 7.857 8.457 -0.600 19212 2445 1 13 . 1 1 61 61 SER N N 61 110.770 110.770 116.361 -5.591 19212 2446 1 13 . 1 1 61 61 SER HA H 61 3.880 3.880 4.469 -0.589 19212 2447 1 13 . 1 1 61 61 SER H H 61 6.540 6.540 7.931 -1.391 19212 2448 1 13 . 1 1 62 62 ALA N N 62 125.565 125.565 127.638 -2.073 19212 2449 1 13 . 1 1 62 62 ALA HA H 62 4.435 4.435 3.523 0.912 19212 2450 1 13 . 1 1 62 62 ALA H H 62 8.936 8.936 8.088 0.848 19212 2451 1 13 . 1 1 63 63 ASP N N 63 117.546 117.546 115.450 2.096 19212 2452 1 13 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.523 0.372 19212 2453 1 13 . 1 1 63 63 ASP H H 63 8.117 8.117 7.756 0.361 19212 2454 1 13 . 1 1 64 64 CYS N N 64 121.338 121.338 118.485 2.853 19212 2455 1 13 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.839 0.602 19212 2456 1 13 . 1 1 64 64 CYS H H 64 8.868 8.868 8.234 0.634 19212 2457 1 13 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.497 -0.136 19212 2458 1 13 . 1 1 66 66 ARG N N 66 119.930 119.930 123.209 -3.279 19212 2459 1 13 . 1 1 66 66 ARG HA H 66 4.386 4.386 5.151 -0.765 19212 2460 1 13 . 1 1 66 66 ARG H H 66 8.232 8.232 8.277 -0.045 19212 2461 1 13 . 1 1 67 67 ASN N N 67 124.642 124.642 118.985 5.657 19212 2462 1 13 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.637 0.147 19212 2463 1 13 . 1 1 67 67 ASN H H 67 8.887 8.887 8.240 0.647 19212 2464 1 13 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.379 -0.066 19212 2465 1 13 . 1 1 69 69 TRP N N 69 118.875 118.875 115.208 3.667 19212 2466 1 13 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.764 -0.210 19212 2467 1 13 . 1 1 69 69 TRP H H 69 7.941 7.941 7.511 0.430 19212 2468 1 13 . 1 1 70 70 ASN N N 70 119.579 119.579 119.201 0.378 19212 2469 1 13 . 1 1 70 70 ASN HA H 70 4.707 4.707 2.337 2.370 19212 2470 1 13 . 1 1 70 70 ASN H H 70 7.866 7.866 7.628 0.238 19212 2471 1 14 . 1 1 2 2 LYS N N 2 121.151 121.151 120.513 0.638 19212 2472 1 14 . 1 1 2 2 LYS H H 2 8.253 8.253 8.380 -0.127 19212 2473 1 14 . 1 1 3 3 GLU N N 3 121.214 121.214 118.462 2.752 19212 2474 1 14 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.422 -0.100 19212 2475 1 14 . 1 1 3 3 GLU H H 3 8.581 8.581 8.331 0.250 19212 2476 1 14 . 1 1 4 4 CYS N N 4 119.597 119.597 120.059 -0.462 19212 2477 1 14 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.626 0.349 19212 2478 1 14 . 1 1 4 4 CYS H H 4 8.028 8.028 7.646 0.382 19212 2479 1 14 . 1 1 5 5 ASP N N 5 119.597 119.597 126.081 -6.484 19212 2480 1 14 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.895 -0.078 19212 2481 1 14 . 1 1 5 5 ASP H H 5 8.690 8.690 9.197 -0.507 19212 2482 1 14 . 1 1 6 6 CYS N N 6 112.573 112.573 116.313 -3.740 19212 2483 1 14 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.763 0.168 19212 2484 1 14 . 1 1 6 6 CYS H H 6 6.888 6.888 7.698 -0.810 19212 2485 1 14 . 1 1 7 7 SER N N 7 119.349 119.349 116.822 2.527 19212 2486 1 14 . 1 1 7 7 SER HA H 7 4.226 4.226 4.533 -0.307 19212 2487 1 14 . 1 1 7 7 SER H H 7 9.584 9.584 8.752 0.832 19212 2488 1 14 . 1 1 8 8 SER N N 8 115.557 115.557 117.342 -1.785 19212 2489 1 14 . 1 1 8 8 SER HA H 8 5.137 5.137 4.846 0.291 19212 2490 1 14 . 1 1 8 8 SER H H 8 7.776 7.776 7.698 0.078 19212 2491 1 14 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.511 0.048 19212 2492 1 14 . 1 1 10 10 GLU N N 10 116.738 116.738 117.780 -1.042 19212 2493 1 14 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.419 -0.125 19212 2494 1 14 . 1 1 10 10 GLU H H 10 8.165 8.165 8.311 -0.146 19212 2495 1 14 . 1 1 11 11 ASN N N 11 120.592 120.592 119.764 0.828 19212 2496 1 14 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.970 -0.176 19212 2497 1 14 . 1 1 11 11 ASN H H 11 7.175 7.175 7.594 -0.419 19212 2498 1 14 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.470 0.234 19212 2499 1 14 . 1 1 13 13 CYS N N 13 117.795 117.795 116.977 0.818 19212 2500 1 14 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.716 -0.068 19212 2501 1 14 . 1 1 13 13 CYS H H 13 8.847 8.847 9.198 -0.351 19212 2502 1 14 . 1 1 14 14 CYS N N 14 112.262 112.262 118.574 -6.312 19212 2503 1 14 . 1 1 14 14 CYS HA H 14 5.056 5.056 5.048 0.008 19212 2504 1 14 . 1 1 14 14 CYS H H 14 7.448 7.448 7.440 0.008 19212 2505 1 14 . 1 1 15 15 ASP N N 15 121.027 121.027 123.694 -2.667 19212 2506 1 14 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.645 -0.075 19212 2507 1 14 . 1 1 15 15 ASP H H 15 8.130 8.130 8.509 -0.379 19212 2508 1 14 . 1 1 16 16 ALA N N 16 130.920 130.920 130.319 0.601 19212 2509 1 14 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.127 0.021 19212 2510 1 14 . 1 1 16 16 ALA H H 16 8.915 8.915 8.681 0.234 19212 2511 1 14 . 1 1 17 17 ALA N N 17 117.732 117.732 121.620 -3.888 19212 2512 1 14 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.050 0.311 19212 2513 1 14 . 1 1 17 17 ALA H H 17 8.588 8.588 8.217 0.371 19212 2514 1 14 . 1 1 18 18 THR N N 18 105.299 105.299 106.309 -1.010 19212 2515 1 14 . 1 1 18 18 THR HA H 18 4.445 4.445 4.251 0.194 19212 2516 1 14 . 1 1 18 18 THR H H 18 7.660 7.660 7.487 0.173 19212 2517 1 14 . 1 1 19 19 CYS N N 19 119.038 119.038 120.349 -1.311 19212 2518 1 14 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.120 0.522 19212 2519 1 14 . 1 1 19 19 CYS H H 19 8.520 8.520 8.602 -0.082 19212 2520 1 14 . 1 1 20 20 LYS N N 20 118.354 118.354 118.695 -0.341 19212 2521 1 14 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.644 0.301 19212 2522 1 14 . 1 1 20 20 LYS H H 20 7.878 7.878 7.690 0.188 19212 2523 1 14 . 1 1 21 21 LEU N N 21 120.405 120.405 120.611 -0.206 19212 2524 1 14 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.512 -0.227 19212 2525 1 14 . 1 1 21 21 LEU H H 21 9.127 9.127 8.436 0.691 19212 2526 1 14 . 1 1 22 22 ARG N N 22 122.457 122.457 123.531 -1.074 19212 2527 1 14 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.336 0.112 19212 2528 1 14 . 1 1 22 22 ARG H H 22 8.403 8.403 8.561 -0.158 19212 2529 1 14 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.563 -0.174 19212 2530 1 14 . 1 1 24 24 GLY N N 24 113.629 113.629 106.404 7.225 19212 2531 1 14 . 1 1 24 24 GLY H H 24 8.752 8.752 8.290 0.462 19212 2532 1 14 . 1 1 25 25 ALA N N 25 123.389 123.389 121.919 1.470 19212 2533 1 14 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.152 0.388 19212 2534 1 14 . 1 1 25 25 ALA H H 25 7.857 7.857 7.480 0.377 19212 2535 1 14 . 1 1 26 26 GLN N N 26 117.396 117.396 120.759 -3.363 19212 2536 1 14 . 1 1 26 26 GLN HA H 26 4.113 4.113 3.892 0.221 19212 2537 1 14 . 1 1 26 26 GLN H H 26 8.745 8.745 8.293 0.452 19212 2538 1 14 . 1 1 27 27 CYS N N 27 113.256 113.256 115.621 -2.365 19212 2539 1 14 . 1 1 27 27 CYS HA H 27 4.555 4.555 5.044 -0.489 19212 2540 1 14 . 1 1 27 27 CYS H H 27 7.721 7.721 7.595 0.126 19212 2541 1 14 . 1 1 28 28 GLY N N 28 104.864 104.864 108.774 -3.910 19212 2542 1 14 . 1 1 28 28 GLY H H 28 9.086 9.086 8.792 0.294 19212 2543 1 14 . 1 1 29 29 GLU N N 29 118.034 118.034 118.093 -0.059 19212 2544 1 14 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.567 0.215 19212 2545 1 14 . 1 1 29 29 GLU H H 29 7.762 7.762 7.608 0.154 19212 2546 1 14 . 1 1 30 30 GLY N N 30 108.470 108.470 109.081 -0.611 19212 2547 1 14 . 1 1 30 30 GLY H H 30 8.315 8.315 8.101 0.214 19212 2548 1 14 . 1 1 31 31 LEU N N 31 120.903 120.903 121.390 -0.487 19212 2549 1 14 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.145 0.209 19212 2550 1 14 . 1 1 31 31 LEU H H 31 8.895 8.895 8.841 0.054 19212 2551 1 14 . 1 1 32 32 CYS N N 32 114.873 114.873 116.973 -2.100 19212 2552 1 14 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.669 0.439 19212 2553 1 14 . 1 1 32 32 CYS H H 32 8.376 8.376 8.753 -0.377 19212 2554 1 14 . 1 1 33 33 CYS N N 33 121.151 121.151 121.934 -0.783 19212 2555 1 14 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.287 0.004 19212 2556 1 14 . 1 1 33 33 CYS H H 33 7.291 7.291 7.948 -0.657 19212 2557 1 14 . 1 1 34 34 GLU N N 34 128.487 128.487 125.027 3.460 19212 2558 1 14 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.470 0.212 19212 2559 1 14 . 1 1 34 34 GLU H H 34 9.652 9.652 8.542 1.110 19212 2560 1 14 . 1 1 35 35 GLN N N 35 125.441 125.441 124.569 0.872 19212 2561 1 14 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.990 0.009 19212 2562 1 14 . 1 1 35 35 GLN H H 35 9.373 9.373 9.193 0.180 19212 2563 1 14 . 1 1 36 36 CYS N N 36 105.424 105.424 112.343 -6.919 19212 2564 1 14 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.194 0.607 19212 2565 1 14 . 1 1 36 36 CYS H H 36 8.410 8.410 8.373 0.037 19212 2566 1 14 . 1 1 37 37 LYS N N 37 120.965 120.965 118.628 2.337 19212 2567 1 14 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.417 0.286 19212 2568 1 14 . 1 1 37 37 LYS H H 37 7.939 7.939 7.338 0.601 19212 2569 1 14 . 1 1 38 38 PHE N N 38 119.722 119.722 120.299 -0.577 19212 2570 1 14 . 1 1 38 38 PHE HA H 38 5.141 5.141 5.003 0.138 19212 2571 1 14 . 1 1 38 38 PHE H H 38 8.192 8.192 8.355 -0.163 19212 2572 1 14 . 1 1 39 39 SER N N 39 121.524 121.524 119.983 1.541 19212 2573 1 14 . 1 1 39 39 SER HA H 39 4.274 4.274 4.417 -0.143 19212 2574 1 14 . 1 1 39 39 SER H H 39 8.963 8.963 9.269 -0.306 19212 2575 1 14 . 1 1 40 40 ARG N N 40 121.711 121.711 119.014 2.697 19212 2576 1 14 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.593 -0.492 19212 2577 1 14 . 1 1 40 40 ARG H H 40 8.485 8.485 8.449 0.036 19212 2578 1 14 . 1 1 41 41 ALA N N 41 123.576 123.576 122.544 1.032 19212 2579 1 14 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.316 -0.592 19212 2580 1 14 . 1 1 41 41 ALA H H 41 8.417 8.417 8.309 0.108 19212 2581 1 14 . 1 1 42 42 GLY N N 42 110.397 110.397 108.274 2.123 19212 2582 1 14 . 1 1 42 42 GLY H H 42 8.520 8.520 8.736 -0.216 19212 2583 1 14 . 1 1 43 43 LYS N N 43 122.643 122.643 120.173 2.470 19212 2584 1 14 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.526 -0.377 19212 2585 1 14 . 1 1 43 43 LYS H H 43 7.441 7.441 7.327 0.114 19212 2586 1 14 . 1 1 44 44 ILE N N 44 128.798 128.798 129.620 -0.822 19212 2587 1 14 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.214 -0.092 19212 2588 1 14 . 1 1 44 44 ILE H H 44 8.793 8.793 8.787 0.006 19212 2589 1 14 . 1 1 45 45 CYS N N 45 123.700 123.700 124.631 -0.931 19212 2590 1 14 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.557 0.615 19212 2591 1 14 . 1 1 45 45 CYS H H 45 9.325 9.325 8.876 0.449 19212 2592 1 14 . 1 1 46 46 ARG N N 46 123.265 123.265 118.854 4.411 19212 2593 1 14 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.615 -0.173 19212 2594 1 14 . 1 1 46 46 ARG H H 46 7.475 7.475 7.443 0.032 19212 2595 1 14 . 1 1 47 47 ILE N N 47 127.244 127.244 120.803 6.441 19212 2596 1 14 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.268 -0.014 19212 2597 1 14 . 1 1 47 47 ILE H H 47 8.417 8.417 8.470 -0.053 19212 2598 1 14 . 1 1 48 48 ALA N N 48 130.660 130.660 130.568 0.092 19212 2599 1 14 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.704 -0.459 19212 2600 1 14 . 1 1 48 48 ALA H H 48 9.322 9.322 8.349 0.973 19212 2601 1 14 . 1 1 49 49 ARG N N 49 120.352 120.352 124.030 -3.678 19212 2602 1 14 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.517 -0.110 19212 2603 1 14 . 1 1 49 49 ARG H H 49 8.150 8.150 8.996 -0.846 19212 2604 1 14 . 1 1 50 50 GLY N N 50 108.819 108.819 114.612 -5.793 19212 2605 1 14 . 1 1 50 50 GLY H H 50 7.329 7.329 8.509 -1.180 19212 2606 1 14 . 1 1 51 51 ASP N N 51 121.337 121.337 119.210 2.127 19212 2607 1 14 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.463 0.098 19212 2608 1 14 . 1 1 51 51 ASP H H 51 8.090 8.090 6.598 1.492 19212 2609 1 14 . 1 1 52 52 TRP N N 52 119.227 119.227 121.097 -1.870 19212 2610 1 14 . 1 1 52 52 TRP HA H 52 4.640 4.640 5.016 -0.376 19212 2611 1 14 . 1 1 52 52 TRP H H 52 7.812 7.812 6.838 0.974 19212 2612 1 14 . 1 1 53 53 ASN N N 53 116.695 116.695 121.180 -4.485 19212 2613 1 14 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.850 -0.100 19212 2614 1 14 . 1 1 53 53 ASN H H 53 8.310 8.310 8.553 -0.243 19212 2615 1 14 . 1 1 54 54 ASP N N 54 119.908 119.908 122.024 -2.116 19212 2616 1 14 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.854 -0.035 19212 2617 1 14 . 1 1 54 54 ASP H H 54 8.090 8.090 8.447 -0.357 19212 2618 1 14 . 1 1 55 55 ASP N N 55 121.524 121.524 120.280 1.244 19212 2619 1 14 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.871 0.152 19212 2620 1 14 . 1 1 55 55 ASP H H 55 8.520 8.520 8.580 -0.060 19212 2621 1 14 . 1 1 56 56 ARG N N 56 119.970 119.970 122.756 -2.786 19212 2622 1 14 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.470 0.821 19212 2623 1 14 . 1 1 56 56 ARG H H 56 8.533 8.533 8.517 0.016 19212 2624 1 14 . 1 1 57 57 CYS N N 57 119.286 119.286 123.550 -4.264 19212 2625 1 14 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.324 0.532 19212 2626 1 14 . 1 1 57 57 CYS H H 57 9.222 9.222 8.887 0.335 19212 2627 1 14 . 1 1 58 58 THR N N 58 113.194 113.194 117.126 -3.932 19212 2628 1 14 . 1 1 58 58 THR HA H 58 4.442 4.442 4.240 0.202 19212 2629 1 14 . 1 1 58 58 THR H H 58 10.048 10.048 8.985 1.063 19212 2630 1 14 . 1 1 59 59 GLY N N 59 111.765 111.765 110.091 1.674 19212 2631 1 14 . 1 1 59 59 GLY H H 59 8.458 8.458 8.092 0.366 19212 2632 1 14 . 1 1 60 60 GLN N N 60 114.377 114.377 114.422 -0.045 19212 2633 1 14 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.307 -0.009 19212 2634 1 14 . 1 1 60 60 GLN H H 60 7.857 7.857 7.872 -0.015 19212 2635 1 14 . 1 1 61 61 SER N N 61 110.770 110.770 118.153 -7.383 19212 2636 1 14 . 1 1 61 61 SER HA H 61 3.880 3.880 4.042 -0.162 19212 2637 1 14 . 1 1 61 61 SER H H 61 6.540 6.540 7.319 -0.779 19212 2638 1 14 . 1 1 62 62 ALA N N 62 125.565 125.565 124.928 0.637 19212 2639 1 14 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.248 0.187 19212 2640 1 14 . 1 1 62 62 ALA H H 62 8.936 8.936 8.533 0.403 19212 2641 1 14 . 1 1 63 63 ASP N N 63 117.546 117.546 115.613 1.933 19212 2642 1 14 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.697 0.198 19212 2643 1 14 . 1 1 63 63 ASP H H 63 8.117 8.117 8.077 0.040 19212 2644 1 14 . 1 1 64 64 CYS N N 64 121.338 121.338 118.997 2.341 19212 2645 1 14 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.810 0.631 19212 2646 1 14 . 1 1 64 64 CYS H H 64 8.868 8.868 8.271 0.597 19212 2647 1 14 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.736 -0.375 19212 2648 1 14 . 1 1 66 66 ARG N N 66 119.930 119.930 117.768 2.162 19212 2649 1 14 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.747 -0.361 19212 2650 1 14 . 1 1 66 66 ARG H H 66 8.232 8.232 8.130 0.102 19212 2651 1 14 . 1 1 67 67 ASN N N 67 124.642 124.642 118.313 6.329 19212 2652 1 14 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.878 -0.094 19212 2653 1 14 . 1 1 67 67 ASN H H 67 8.887 8.887 8.660 0.227 19212 2654 1 14 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.384 -0.071 19212 2655 1 14 . 1 1 69 69 TRP N N 69 118.875 118.875 121.398 -2.523 19212 2656 1 14 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.688 -0.134 19212 2657 1 14 . 1 1 69 69 TRP H H 69 7.941 7.941 7.399 0.542 19212 2658 1 14 . 1 1 70 70 ASN N N 70 119.579 119.579 121.239 -1.660 19212 2659 1 14 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.592 0.115 19212 2660 1 14 . 1 1 70 70 ASN H H 70 7.866 7.866 8.118 -0.252 19212 2661 1 15 . 1 1 2 2 LYS N N 2 121.151 121.151 122.019 -0.868 19212 2662 1 15 . 1 1 2 2 LYS H H 2 8.253 8.253 8.421 -0.168 19212 2663 1 15 . 1 1 3 3 GLU N N 3 121.214 121.214 119.842 1.372 19212 2664 1 15 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.542 -0.220 19212 2665 1 15 . 1 1 3 3 GLU H H 3 8.581 8.581 8.764 -0.183 19212 2666 1 15 . 1 1 4 4 CYS N N 4 119.597 119.597 118.571 1.026 19212 2667 1 15 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.974 0.001 19212 2668 1 15 . 1 1 4 4 CYS H H 4 8.028 8.028 7.958 0.070 19212 2669 1 15 . 1 1 5 5 ASP N N 5 119.597 119.597 125.537 -5.940 19212 2670 1 15 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.651 0.166 19212 2671 1 15 . 1 1 5 5 ASP H H 5 8.690 8.690 9.111 -0.421 19212 2672 1 15 . 1 1 6 6 CYS N N 6 112.573 112.573 111.349 1.224 19212 2673 1 15 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.919 0.012 19212 2674 1 15 . 1 1 6 6 CYS H H 6 6.888 6.888 7.385 -0.497 19212 2675 1 15 . 1 1 7 7 SER N N 7 119.349 119.349 114.529 4.820 19212 2676 1 15 . 1 1 7 7 SER HA H 7 4.226 4.226 4.493 -0.267 19212 2677 1 15 . 1 1 7 7 SER H H 7 9.584 9.584 8.562 1.022 19212 2678 1 15 . 1 1 8 8 SER N N 8 115.557 115.557 118.559 -3.002 19212 2679 1 15 . 1 1 8 8 SER HA H 8 5.137 5.137 4.863 0.274 19212 2680 1 15 . 1 1 8 8 SER H H 8 7.776 7.776 7.750 0.026 19212 2681 1 15 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.509 0.050 19212 2682 1 15 . 1 1 10 10 GLU N N 10 116.738 116.738 116.089 0.649 19212 2683 1 15 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.387 -0.093 19212 2684 1 15 . 1 1 10 10 GLU H H 10 8.165 8.165 8.078 0.087 19212 2685 1 15 . 1 1 11 11 ASN N N 11 120.592 120.592 120.039 0.553 19212 2686 1 15 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.808 -0.014 19212 2687 1 15 . 1 1 11 11 ASN H H 11 7.175 7.175 7.506 -0.331 19212 2688 1 15 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.536 0.168 19212 2689 1 15 . 1 1 13 13 CYS N N 13 117.795 117.795 115.160 2.635 19212 2690 1 15 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.367 0.281 19212 2691 1 15 . 1 1 13 13 CYS H H 13 8.847 8.847 9.280 -0.433 19212 2692 1 15 . 1 1 14 14 CYS N N 14 112.262 112.262 116.154 -3.892 19212 2693 1 15 . 1 1 14 14 CYS HA H 14 5.056 5.056 5.026 0.030 19212 2694 1 15 . 1 1 14 14 CYS H H 14 7.448 7.448 7.449 -0.001 19212 2695 1 15 . 1 1 15 15 ASP N N 15 121.027 121.027 123.212 -2.185 19212 2696 1 15 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.586 -0.016 19212 2697 1 15 . 1 1 15 15 ASP H H 15 8.130 8.130 8.661 -0.531 19212 2698 1 15 . 1 1 16 16 ALA N N 16 130.920 130.920 128.905 2.015 19212 2699 1 15 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.120 0.028 19212 2700 1 15 . 1 1 16 16 ALA H H 16 8.915 8.915 8.577 0.338 19212 2701 1 15 . 1 1 17 17 ALA N N 17 117.732 117.732 121.689 -3.957 19212 2702 1 15 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.072 0.289 19212 2703 1 15 . 1 1 17 17 ALA H H 17 8.588 8.588 8.127 0.461 19212 2704 1 15 . 1 1 18 18 THR N N 18 105.299 105.299 110.717 -5.418 19212 2705 1 15 . 1 1 18 18 THR HA H 18 4.445 4.445 4.269 0.176 19212 2706 1 15 . 1 1 18 18 THR H H 18 7.660 7.660 7.779 -0.119 19212 2707 1 15 . 1 1 19 19 CYS N N 19 119.038 119.038 120.517 -1.479 19212 2708 1 15 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.167 0.475 19212 2709 1 15 . 1 1 19 19 CYS H H 19 8.520 8.520 8.075 0.445 19212 2710 1 15 . 1 1 20 20 LYS N N 20 118.354 118.354 116.682 1.672 19212 2711 1 15 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.713 0.232 19212 2712 1 15 . 1 1 20 20 LYS H H 20 7.878 7.878 7.536 0.342 19212 2713 1 15 . 1 1 21 21 LEU N N 21 120.405 120.405 121.043 -0.638 19212 2714 1 15 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.431 -0.146 19212 2715 1 15 . 1 1 21 21 LEU H H 21 9.127 9.127 8.477 0.650 19212 2716 1 15 . 1 1 22 22 ARG N N 22 122.457 122.457 127.863 -5.406 19212 2717 1 15 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.422 0.026 19212 2718 1 15 . 1 1 22 22 ARG H H 22 8.403 8.403 8.344 0.059 19212 2719 1 15 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.481 -0.092 19212 2720 1 15 . 1 1 24 24 GLY N N 24 113.629 113.629 107.086 6.543 19212 2721 1 15 . 1 1 24 24 GLY H H 24 8.752 8.752 8.520 0.232 19212 2722 1 15 . 1 1 25 25 ALA N N 25 123.389 123.389 124.576 -1.187 19212 2723 1 15 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.411 0.129 19212 2724 1 15 . 1 1 25 25 ALA H H 25 7.857 7.857 7.475 0.382 19212 2725 1 15 . 1 1 26 26 GLN N N 26 117.396 117.396 117.482 -0.086 19212 2726 1 15 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.233 -0.120 19212 2727 1 15 . 1 1 26 26 GLN H H 26 8.745 8.745 8.330 0.415 19212 2728 1 15 . 1 1 27 27 CYS N N 27 113.256 113.256 115.480 -2.224 19212 2729 1 15 . 1 1 27 27 CYS HA H 27 4.555 4.555 5.192 -0.637 19212 2730 1 15 . 1 1 27 27 CYS H H 27 7.721 7.721 7.642 0.079 19212 2731 1 15 . 1 1 28 28 GLY N N 28 104.864 104.864 108.147 -3.283 19212 2732 1 15 . 1 1 28 28 GLY H H 28 9.086 9.086 8.944 0.142 19212 2733 1 15 . 1 1 29 29 GLU N N 29 118.034 118.034 118.199 -0.165 19212 2734 1 15 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.586 0.196 19212 2735 1 15 . 1 1 29 29 GLU H H 29 7.762 7.762 7.600 0.162 19212 2736 1 15 . 1 1 30 30 GLY N N 30 108.470 108.470 108.812 -0.342 19212 2737 1 15 . 1 1 30 30 GLY H H 30 8.315 8.315 8.179 0.136 19212 2738 1 15 . 1 1 31 31 LEU N N 31 120.903 120.903 121.296 -0.393 19212 2739 1 15 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.206 0.148 19212 2740 1 15 . 1 1 31 31 LEU H H 31 8.895 8.895 8.757 0.138 19212 2741 1 15 . 1 1 32 32 CYS N N 32 114.873 114.873 117.855 -2.982 19212 2742 1 15 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.604 0.504 19212 2743 1 15 . 1 1 32 32 CYS H H 32 8.376 8.376 8.571 -0.195 19212 2744 1 15 . 1 1 33 33 CYS N N 33 121.151 121.151 121.763 -0.612 19212 2745 1 15 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.366 -0.075 19212 2746 1 15 . 1 1 33 33 CYS H H 33 7.291 7.291 7.616 -0.325 19212 2747 1 15 . 1 1 34 34 GLU N N 34 128.487 128.487 124.991 3.496 19212 2748 1 15 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.478 0.204 19212 2749 1 15 . 1 1 34 34 GLU H H 34 9.652 9.652 8.821 0.831 19212 2750 1 15 . 1 1 35 35 GLN N N 35 125.441 125.441 125.560 -0.119 19212 2751 1 15 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.994 0.005 19212 2752 1 15 . 1 1 35 35 GLN H H 35 9.373 9.373 9.166 0.207 19212 2753 1 15 . 1 1 36 36 CYS N N 36 105.424 105.424 111.267 -5.843 19212 2754 1 15 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.168 0.633 19212 2755 1 15 . 1 1 36 36 CYS H H 36 8.410 8.410 8.486 -0.076 19212 2756 1 15 . 1 1 37 37 LYS N N 37 120.965 120.965 118.400 2.565 19212 2757 1 15 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.769 -0.066 19212 2758 1 15 . 1 1 37 37 LYS H H 37 7.939 7.939 7.368 0.571 19212 2759 1 15 . 1 1 38 38 PHE N N 38 119.722 119.722 119.404 0.318 19212 2760 1 15 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.935 0.206 19212 2761 1 15 . 1 1 38 38 PHE H H 38 8.192 8.192 8.242 -0.050 19212 2762 1 15 . 1 1 39 39 SER N N 39 121.524 121.524 120.617 0.907 19212 2763 1 15 . 1 1 39 39 SER HA H 39 4.274 4.274 4.341 -0.067 19212 2764 1 15 . 1 1 39 39 SER H H 39 8.963 8.963 9.259 -0.296 19212 2765 1 15 . 1 1 40 40 ARG N N 40 121.711 121.711 119.888 1.823 19212 2766 1 15 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.463 -0.362 19212 2767 1 15 . 1 1 40 40 ARG H H 40 8.485 8.485 8.385 0.100 19212 2768 1 15 . 1 1 41 41 ALA N N 41 123.576 123.576 123.290 0.286 19212 2769 1 15 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.399 -0.675 19212 2770 1 15 . 1 1 41 41 ALA H H 41 8.417 8.417 8.296 0.121 19212 2771 1 15 . 1 1 42 42 GLY N N 42 110.397 110.397 106.814 3.583 19212 2772 1 15 . 1 1 42 42 GLY H H 42 8.520 8.520 8.465 0.055 19212 2773 1 15 . 1 1 43 43 LYS N N 43 122.643 122.643 120.090 2.553 19212 2774 1 15 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.629 -0.480 19212 2775 1 15 . 1 1 43 43 LYS H H 43 7.441 7.441 7.331 0.110 19212 2776 1 15 . 1 1 44 44 ILE N N 44 128.798 128.798 128.838 -0.040 19212 2777 1 15 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.319 -0.197 19212 2778 1 15 . 1 1 44 44 ILE H H 44 8.793 8.793 8.843 -0.050 19212 2779 1 15 . 1 1 45 45 CYS N N 45 123.700 123.700 123.202 0.498 19212 2780 1 15 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.727 0.445 19212 2781 1 15 . 1 1 45 45 CYS H H 45 9.325 9.325 8.930 0.395 19212 2782 1 15 . 1 1 46 46 ARG N N 46 123.265 123.265 118.794 4.471 19212 2783 1 15 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.580 -0.138 19212 2784 1 15 . 1 1 46 46 ARG H H 46 7.475 7.475 7.436 0.039 19212 2785 1 15 . 1 1 47 47 ILE N N 47 127.244 127.244 120.255 6.989 19212 2786 1 15 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.471 -0.217 19212 2787 1 15 . 1 1 47 47 ILE H H 47 8.417 8.417 8.436 -0.019 19212 2788 1 15 . 1 1 48 48 ALA N N 48 130.660 130.660 130.931 -0.271 19212 2789 1 15 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.433 -0.188 19212 2790 1 15 . 1 1 48 48 ALA H H 48 9.322 9.322 8.267 1.055 19212 2791 1 15 . 1 1 49 49 ARG N N 49 120.352 120.352 124.481 -4.129 19212 2792 1 15 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.385 0.022 19212 2793 1 15 . 1 1 49 49 ARG H H 49 8.150 8.150 8.824 -0.674 19212 2794 1 15 . 1 1 50 50 GLY N N 50 108.819 108.819 113.915 -5.096 19212 2795 1 15 . 1 1 50 50 GLY H H 50 7.329 7.329 8.384 -1.055 19212 2796 1 15 . 1 1 51 51 ASP N N 51 121.337 121.337 118.607 2.730 19212 2797 1 15 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.367 0.194 19212 2798 1 15 . 1 1 51 51 ASP H H 51 8.090 8.090 6.341 1.749 19212 2799 1 15 . 1 1 52 52 TRP N N 52 119.227 119.227 119.886 -0.659 19212 2800 1 15 . 1 1 52 52 TRP HA H 52 4.640 4.640 5.041 -0.401 19212 2801 1 15 . 1 1 52 52 TRP H H 52 7.812 7.812 7.654 0.158 19212 2802 1 15 . 1 1 53 53 ASN N N 53 116.695 116.695 118.620 -1.925 19212 2803 1 15 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.988 -0.238 19212 2804 1 15 . 1 1 53 53 ASN H H 53 8.310 8.310 8.393 -0.083 19212 2805 1 15 . 1 1 54 54 ASP N N 54 119.908 119.908 118.690 1.218 19212 2806 1 15 . 1 1 54 54 ASP HA H 54 4.819 4.819 5.044 -0.225 19212 2807 1 15 . 1 1 54 54 ASP H H 54 8.090 8.090 8.492 -0.402 19212 2808 1 15 . 1 1 55 55 ASP N N 55 121.524 121.524 119.598 1.926 19212 2809 1 15 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.850 0.173 19212 2810 1 15 . 1 1 55 55 ASP H H 55 8.520 8.520 8.809 -0.289 19212 2811 1 15 . 1 1 56 56 ARG N N 56 119.970 119.970 122.703 -2.733 19212 2812 1 15 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.730 0.561 19212 2813 1 15 . 1 1 56 56 ARG H H 56 8.533 8.533 8.132 0.401 19212 2814 1 15 . 1 1 57 57 CYS N N 57 119.286 119.286 126.118 -6.832 19212 2815 1 15 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.312 0.544 19212 2816 1 15 . 1 1 57 57 CYS H H 57 9.222 9.222 9.066 0.156 19212 2817 1 15 . 1 1 58 58 THR N N 58 113.194 113.194 116.786 -3.592 19212 2818 1 15 . 1 1 58 58 THR HA H 58 4.442 4.442 4.257 0.185 19212 2819 1 15 . 1 1 58 58 THR H H 58 10.048 10.048 8.927 1.121 19212 2820 1 15 . 1 1 59 59 GLY N N 59 111.765 111.765 109.832 1.933 19212 2821 1 15 . 1 1 59 59 GLY H H 59 8.458 8.458 7.646 0.812 19212 2822 1 15 . 1 1 60 60 GLN N N 60 114.377 114.377 117.430 -3.053 19212 2823 1 15 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.410 -0.112 19212 2824 1 15 . 1 1 60 60 GLN H H 60 7.857 7.857 8.422 -0.565 19212 2825 1 15 . 1 1 61 61 SER N N 61 110.770 110.770 113.655 -2.885 19212 2826 1 15 . 1 1 61 61 SER HA H 61 3.880 3.880 4.172 -0.292 19212 2827 1 15 . 1 1 61 61 SER H H 61 6.540 6.540 7.247 -0.708 19212 2828 1 15 . 1 1 62 62 ALA N N 62 125.565 125.565 121.005 4.560 19212 2829 1 15 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.426 0.009 19212 2830 1 15 . 1 1 62 62 ALA H H 62 8.936 8.936 8.295 0.641 19212 2831 1 15 . 1 1 63 63 ASP N N 63 117.546 117.546 117.709 -0.163 19212 2832 1 15 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.721 0.174 19212 2833 1 15 . 1 1 63 63 ASP H H 63 8.117 8.117 8.098 0.019 19212 2834 1 15 . 1 1 64 64 CYS N N 64 121.338 121.338 119.089 2.249 19212 2835 1 15 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.776 0.665 19212 2836 1 15 . 1 1 64 64 CYS H H 64 8.868 8.868 8.420 0.448 19212 2837 1 15 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.599 -0.238 19212 2838 1 15 . 1 1 66 66 ARG N N 66 119.930 119.930 122.352 -2.422 19212 2839 1 15 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.551 -0.165 19212 2840 1 15 . 1 1 66 66 ARG H H 66 8.232 8.232 8.433 -0.201 19212 2841 1 15 . 1 1 67 67 ASN N N 67 124.642 124.642 116.372 8.270 19212 2842 1 15 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.998 -0.214 19212 2843 1 15 . 1 1 67 67 ASN H H 67 8.887 8.887 8.322 0.565 19212 2844 1 15 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.290 0.023 19212 2845 1 15 . 1 1 69 69 TRP N N 69 118.875 118.875 118.515 0.360 19212 2846 1 15 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.680 -0.126 19212 2847 1 15 . 1 1 69 69 TRP H H 69 7.941 7.941 7.099 0.842 19212 2848 1 15 . 1 1 70 70 ASN N N 70 119.579 119.579 117.229 2.350 19212 2849 1 15 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.848 -0.141 19212 2850 1 15 . 1 1 70 70 ASN H H 70 7.866 7.866 8.292 -0.426 19212 2851 1 16 . 1 1 2 2 LYS N N 2 121.151 121.151 122.644 -1.493 19212 2852 1 16 . 1 1 2 2 LYS H H 2 8.253 8.253 8.372 -0.119 19212 2853 1 16 . 1 1 3 3 GLU N N 3 121.214 121.214 119.389 1.825 19212 2854 1 16 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.500 -0.177 19212 2855 1 16 . 1 1 3 3 GLU H H 3 8.581 8.581 8.614 -0.033 19212 2856 1 16 . 1 1 4 4 CYS N N 4 119.597 119.597 118.865 0.732 19212 2857 1 16 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.924 0.051 19212 2858 1 16 . 1 1 4 4 CYS H H 4 8.028 8.028 7.705 0.323 19212 2859 1 16 . 1 1 5 5 ASP N N 5 119.597 119.597 124.454 -4.857 19212 2860 1 16 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.654 0.163 19212 2861 1 16 . 1 1 5 5 ASP H H 5 8.690 8.690 8.821 -0.131 19212 2862 1 16 . 1 1 6 6 CYS N N 6 112.573 112.573 114.241 -1.668 19212 2863 1 16 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.904 0.027 19212 2864 1 16 . 1 1 6 6 CYS H H 6 6.888 6.888 7.422 -0.534 19212 2865 1 16 . 1 1 7 7 SER N N 7 119.349 119.349 116.406 2.943 19212 2866 1 16 . 1 1 7 7 SER HA H 7 4.226 4.226 4.387 -0.161 19212 2867 1 16 . 1 1 7 7 SER H H 7 9.584 9.584 8.641 0.943 19212 2868 1 16 . 1 1 8 8 SER N N 8 115.557 115.557 118.908 -3.351 19212 2869 1 16 . 1 1 8 8 SER HA H 8 5.137 5.137 4.885 0.252 19212 2870 1 16 . 1 1 8 8 SER H H 8 7.776 7.776 7.857 -0.081 19212 2871 1 16 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.463 0.096 19212 2872 1 16 . 1 1 10 10 GLU N N 10 116.738 116.738 115.529 1.209 19212 2873 1 16 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.346 -0.052 19212 2874 1 16 . 1 1 10 10 GLU H H 10 8.165 8.165 8.258 -0.093 19212 2875 1 16 . 1 1 11 11 ASN N N 11 120.592 120.592 120.387 0.205 19212 2876 1 16 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.755 0.039 19212 2877 1 16 . 1 1 11 11 ASN H H 11 7.175 7.175 7.495 -0.320 19212 2878 1 16 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.437 0.267 19212 2879 1 16 . 1 1 13 13 CYS N N 13 117.795 117.795 116.783 1.012 19212 2880 1 16 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.269 0.379 19212 2881 1 16 . 1 1 13 13 CYS H H 13 8.847 8.847 8.298 0.549 19212 2882 1 16 . 1 1 14 14 CYS N N 14 112.262 112.262 115.037 -2.775 19212 2883 1 16 . 1 1 14 14 CYS HA H 14 5.056 5.056 5.039 0.017 19212 2884 1 16 . 1 1 14 14 CYS H H 14 7.448 7.448 7.726 -0.278 19212 2885 1 16 . 1 1 15 15 ASP N N 15 121.027 121.027 124.634 -3.607 19212 2886 1 16 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.455 0.115 19212 2887 1 16 . 1 1 15 15 ASP H H 15 8.130 8.130 8.888 -0.758 19212 2888 1 16 . 1 1 16 16 ALA N N 16 130.920 130.920 127.739 3.181 19212 2889 1 16 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.158 -0.010 19212 2890 1 16 . 1 1 16 16 ALA H H 16 8.915 8.915 8.423 0.492 19212 2891 1 16 . 1 1 17 17 ALA N N 17 117.732 117.732 120.190 -2.458 19212 2892 1 16 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.219 0.142 19212 2893 1 16 . 1 1 17 17 ALA H H 17 8.588 8.588 8.200 0.388 19212 2894 1 16 . 1 1 18 18 THR N N 18 105.299 105.299 109.619 -4.320 19212 2895 1 16 . 1 1 18 18 THR HA H 18 4.445 4.445 4.601 -0.156 19212 2896 1 16 . 1 1 18 18 THR H H 18 7.660 7.660 7.831 -0.171 19212 2897 1 16 . 1 1 19 19 CYS N N 19 119.038 119.038 116.454 2.584 19212 2898 1 16 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.152 0.490 19212 2899 1 16 . 1 1 19 19 CYS H H 19 8.520 8.520 7.931 0.589 19212 2900 1 16 . 1 1 20 20 LYS N N 20 118.354 118.354 118.147 0.207 19212 2901 1 16 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.593 0.352 19212 2902 1 16 . 1 1 20 20 LYS H H 20 7.878 7.878 7.335 0.543 19212 2903 1 16 . 1 1 21 21 LEU N N 21 120.405 120.405 122.070 -1.665 19212 2904 1 16 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.311 -0.026 19212 2905 1 16 . 1 1 21 21 LEU H H 21 9.127 9.127 8.624 0.503 19212 2906 1 16 . 1 1 22 22 ARG N N 22 122.457 122.457 126.559 -4.102 19212 2907 1 16 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.322 0.126 19212 2908 1 16 . 1 1 22 22 ARG H H 22 8.403 8.403 8.001 0.402 19212 2909 1 16 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.527 -0.138 19212 2910 1 16 . 1 1 24 24 GLY N N 24 113.629 113.629 106.314 7.315 19212 2911 1 16 . 1 1 24 24 GLY H H 24 8.752 8.752 8.231 0.521 19212 2912 1 16 . 1 1 25 25 ALA N N 25 123.389 123.389 121.333 2.056 19212 2913 1 16 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.172 0.368 19212 2914 1 16 . 1 1 25 25 ALA H H 25 7.857 7.857 7.283 0.574 19212 2915 1 16 . 1 1 26 26 GLN N N 26 117.396 117.396 118.435 -1.039 19212 2916 1 16 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.210 -0.097 19212 2917 1 16 . 1 1 26 26 GLN H H 26 8.745 8.745 8.327 0.418 19212 2918 1 16 . 1 1 27 27 CYS N N 27 113.256 113.256 112.094 1.162 19212 2919 1 16 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.798 -0.243 19212 2920 1 16 . 1 1 27 27 CYS H H 27 7.721 7.721 7.089 0.632 19212 2921 1 16 . 1 1 28 28 GLY N N 28 104.864 104.864 109.143 -4.279 19212 2922 1 16 . 1 1 28 28 GLY H H 28 9.086 9.086 8.982 0.104 19212 2923 1 16 . 1 1 29 29 GLU N N 29 118.034 118.034 117.523 0.511 19212 2924 1 16 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.550 0.232 19212 2925 1 16 . 1 1 29 29 GLU H H 29 7.762 7.762 7.728 0.034 19212 2926 1 16 . 1 1 30 30 GLY N N 30 108.470 108.470 106.932 1.538 19212 2927 1 16 . 1 1 30 30 GLY H H 30 8.315 8.315 8.016 0.299 19212 2928 1 16 . 1 1 31 31 LEU N N 31 120.903 120.903 120.674 0.229 19212 2929 1 16 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.306 0.048 19212 2930 1 16 . 1 1 31 31 LEU H H 31 8.895 8.895 8.664 0.231 19212 2931 1 16 . 1 1 32 32 CYS N N 32 114.873 114.873 116.034 -1.161 19212 2932 1 16 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.564 0.544 19212 2933 1 16 . 1 1 32 32 CYS H H 32 8.376 8.376 8.769 -0.393 19212 2934 1 16 . 1 1 33 33 CYS N N 33 121.151 121.151 122.516 -1.365 19212 2935 1 16 . 1 1 33 33 CYS HA H 33 5.291 5.291 4.787 0.504 19212 2936 1 16 . 1 1 33 33 CYS H H 33 7.291 7.291 8.295 -1.004 19212 2937 1 16 . 1 1 34 34 GLU N N 34 128.487 128.487 128.892 -0.405 19212 2938 1 16 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.526 0.156 19212 2939 1 16 . 1 1 34 34 GLU H H 34 9.652 9.652 8.188 1.464 19212 2940 1 16 . 1 1 35 35 GLN N N 35 125.441 125.441 122.254 3.187 19212 2941 1 16 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.974 0.025 19212 2942 1 16 . 1 1 35 35 GLN H H 35 9.373 9.373 9.116 0.257 19212 2943 1 16 . 1 1 36 36 CYS N N 36 105.424 105.424 114.012 -8.588 19212 2944 1 16 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.176 0.625 19212 2945 1 16 . 1 1 36 36 CYS H H 36 8.410 8.410 8.388 0.022 19212 2946 1 16 . 1 1 37 37 LYS N N 37 120.965 120.965 117.911 3.054 19212 2947 1 16 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.483 0.220 19212 2948 1 16 . 1 1 37 37 LYS H H 37 7.939 7.939 7.727 0.212 19212 2949 1 16 . 1 1 38 38 PHE N N 38 119.722 119.722 120.208 -0.486 19212 2950 1 16 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.550 0.591 19212 2951 1 16 . 1 1 38 38 PHE H H 38 8.192 8.192 8.475 -0.283 19212 2952 1 16 . 1 1 39 39 SER N N 39 121.524 121.524 119.254 2.270 19212 2953 1 16 . 1 1 39 39 SER HA H 39 4.274 4.274 4.407 -0.133 19212 2954 1 16 . 1 1 39 39 SER H H 39 8.963 8.963 8.115 0.848 19212 2955 1 16 . 1 1 40 40 ARG N N 40 121.711 121.711 119.828 1.883 19212 2956 1 16 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.425 -0.324 19212 2957 1 16 . 1 1 40 40 ARG H H 40 8.485 8.485 8.601 -0.116 19212 2958 1 16 . 1 1 41 41 ALA N N 41 123.576 123.576 121.611 1.965 19212 2959 1 16 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.540 -0.816 19212 2960 1 16 . 1 1 41 41 ALA H H 41 8.417 8.417 8.281 0.136 19212 2961 1 16 . 1 1 42 42 GLY N N 42 110.397 110.397 109.415 0.982 19212 2962 1 16 . 1 1 42 42 GLY H H 42 8.520 8.520 8.828 -0.308 19212 2963 1 16 . 1 1 43 43 LYS N N 43 122.643 122.643 120.115 2.528 19212 2964 1 16 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.605 -0.456 19212 2965 1 16 . 1 1 43 43 LYS H H 43 7.441 7.441 7.337 0.104 19212 2966 1 16 . 1 1 44 44 ILE N N 44 128.798 128.798 126.613 2.185 19212 2967 1 16 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.459 -0.337 19212 2968 1 16 . 1 1 44 44 ILE H H 44 8.793 8.793 8.711 0.082 19212 2969 1 16 . 1 1 45 45 CYS N N 45 123.700 123.700 123.411 0.289 19212 2970 1 16 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.664 0.508 19212 2971 1 16 . 1 1 45 45 CYS H H 45 9.325 9.325 9.184 0.141 19212 2972 1 16 . 1 1 46 46 ARG N N 46 123.265 123.265 118.332 4.933 19212 2973 1 16 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.586 -0.144 19212 2974 1 16 . 1 1 46 46 ARG H H 46 7.475 7.475 7.450 0.025 19212 2975 1 16 . 1 1 47 47 ILE N N 47 127.244 127.244 119.879 7.365 19212 2976 1 16 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.320 -0.066 19212 2977 1 16 . 1 1 47 47 ILE H H 47 8.417 8.417 8.503 -0.086 19212 2978 1 16 . 1 1 48 48 ALA N N 48 130.660 130.660 129.335 1.325 19212 2979 1 16 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.709 -0.464 19212 2980 1 16 . 1 1 48 48 ALA H H 48 9.322 9.322 8.564 0.758 19212 2981 1 16 . 1 1 49 49 ARG N N 49 120.352 120.352 125.652 -5.300 19212 2982 1 16 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.235 0.172 19212 2983 1 16 . 1 1 49 49 ARG H H 49 8.150 8.150 8.862 -0.712 19212 2984 1 16 . 1 1 50 50 GLY N N 50 108.819 108.819 113.812 -4.993 19212 2985 1 16 . 1 1 50 50 GLY H H 50 7.329 7.329 8.145 -0.816 19212 2986 1 16 . 1 1 51 51 ASP N N 51 121.337 121.337 119.691 1.646 19212 2987 1 16 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.482 0.079 19212 2988 1 16 . 1 1 51 51 ASP H H 51 8.090 8.090 6.105 1.985 19212 2989 1 16 . 1 1 52 52 TRP N N 52 119.227 119.227 120.298 -1.071 19212 2990 1 16 . 1 1 52 52 TRP HA H 52 4.640 4.640 5.061 -0.421 19212 2991 1 16 . 1 1 52 52 TRP H H 52 7.812 7.812 6.953 0.859 19212 2992 1 16 . 1 1 53 53 ASN N N 53 116.695 116.695 120.952 -4.257 19212 2993 1 16 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.793 -0.043 19212 2994 1 16 . 1 1 53 53 ASN H H 53 8.310 8.310 8.557 -0.247 19212 2995 1 16 . 1 1 54 54 ASP N N 54 119.908 119.908 122.120 -2.212 19212 2996 1 16 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.649 0.170 19212 2997 1 16 . 1 1 54 54 ASP H H 54 8.090 8.090 8.462 -0.372 19212 2998 1 16 . 1 1 55 55 ASP N N 55 121.524 121.524 120.842 0.682 19212 2999 1 16 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.883 0.140 19212 3000 1 16 . 1 1 55 55 ASP H H 55 8.520 8.520 8.453 0.067 19212 3001 1 16 . 1 1 56 56 ARG N N 56 119.970 119.970 123.356 -3.386 19212 3002 1 16 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.967 0.324 19212 3003 1 16 . 1 1 56 56 ARG H H 56 8.533 8.533 8.418 0.115 19212 3004 1 16 . 1 1 57 57 CYS N N 57 119.286 119.286 124.277 -4.991 19212 3005 1 16 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.436 0.420 19212 3006 1 16 . 1 1 57 57 CYS H H 57 9.222 9.222 9.081 0.141 19212 3007 1 16 . 1 1 58 58 THR N N 58 113.194 113.194 115.898 -2.704 19212 3008 1 16 . 1 1 58 58 THR HA H 58 4.442 4.442 4.114 0.328 19212 3009 1 16 . 1 1 58 58 THR H H 58 10.048 10.048 9.030 1.018 19212 3010 1 16 . 1 1 59 59 GLY N N 59 111.765 111.765 108.711 3.054 19212 3011 1 16 . 1 1 59 59 GLY H H 59 8.458 8.458 8.433 0.025 19212 3012 1 16 . 1 1 60 60 GLN N N 60 114.377 114.377 120.679 -6.302 19212 3013 1 16 . 1 1 60 60 GLN HA H 60 4.298 4.298 3.968 0.330 19212 3014 1 16 . 1 1 60 60 GLN H H 60 7.857 7.857 7.866 -0.009 19212 3015 1 16 . 1 1 61 61 SER N N 61 110.770 110.770 115.803 -5.033 19212 3016 1 16 . 1 1 61 61 SER HA H 61 3.880 3.880 4.289 -0.409 19212 3017 1 16 . 1 1 61 61 SER H H 61 6.540 6.540 7.704 -1.164 19212 3018 1 16 . 1 1 62 62 ALA N N 62 125.565 125.565 128.507 -2.942 19212 3019 1 16 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.253 0.182 19212 3020 1 16 . 1 1 62 62 ALA H H 62 8.936 8.936 8.702 0.234 19212 3021 1 16 . 1 1 63 63 ASP N N 63 117.546 117.546 115.626 1.920 19212 3022 1 16 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.715 0.180 19212 3023 1 16 . 1 1 63 63 ASP H H 63 8.117 8.117 7.983 0.134 19212 3024 1 16 . 1 1 64 64 CYS N N 64 121.338 121.338 118.297 3.041 19212 3025 1 16 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.730 0.711 19212 3026 1 16 . 1 1 64 64 CYS H H 64 8.868 8.868 8.313 0.555 19212 3027 1 16 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.579 -0.218 19212 3028 1 16 . 1 1 66 66 ARG N N 66 119.930 119.930 121.935 -2.005 19212 3029 1 16 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.485 -0.099 19212 3030 1 16 . 1 1 66 66 ARG H H 66 8.232 8.232 8.414 -0.182 19212 3031 1 16 . 1 1 67 67 ASN N N 67 124.642 124.642 118.265 6.377 19212 3032 1 16 . 1 1 67 67 ASN HA H 67 4.784 4.784 5.003 -0.219 19212 3033 1 16 . 1 1 67 67 ASN H H 67 8.887 8.887 8.445 0.442 19212 3034 1 16 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.122 0.191 19212 3035 1 16 . 1 1 69 69 TRP N N 69 118.875 118.875 119.111 -0.236 19212 3036 1 16 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.666 -0.112 19212 3037 1 16 . 1 1 69 69 TRP H H 69 7.941 7.941 7.112 0.829 19212 3038 1 16 . 1 1 70 70 ASN N N 70 119.579 119.579 116.030 3.549 19212 3039 1 16 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.535 0.172 19212 3040 1 16 . 1 1 70 70 ASN H H 70 7.866 7.866 8.033 -0.167 19212 3041 1 17 . 1 1 2 2 LYS N N 2 121.151 121.151 125.228 -4.077 19212 3042 1 17 . 1 1 2 2 LYS H H 2 8.253 8.253 8.272 -0.019 19212 3043 1 17 . 1 1 3 3 GLU N N 3 121.214 121.214 121.051 0.163 19212 3044 1 17 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.388 -0.066 19212 3045 1 17 . 1 1 3 3 GLU H H 3 8.581 8.581 8.561 0.020 19212 3046 1 17 . 1 1 4 4 CYS N N 4 119.597 119.597 120.995 -1.398 19212 3047 1 17 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.845 0.130 19212 3048 1 17 . 1 1 4 4 CYS H H 4 8.028 8.028 8.041 -0.013 19212 3049 1 17 . 1 1 5 5 ASP N N 5 119.597 119.597 124.688 -5.091 19212 3050 1 17 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.770 0.047 19212 3051 1 17 . 1 1 5 5 ASP H H 5 8.690 8.690 9.082 -0.392 19212 3052 1 17 . 1 1 6 6 CYS N N 6 112.573 112.573 112.735 -0.162 19212 3053 1 17 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.815 0.116 19212 3054 1 17 . 1 1 6 6 CYS H H 6 6.888 6.888 7.288 -0.400 19212 3055 1 17 . 1 1 7 7 SER N N 7 119.349 119.349 115.213 4.136 19212 3056 1 17 . 1 1 7 7 SER HA H 7 4.226 4.226 4.579 -0.353 19212 3057 1 17 . 1 1 7 7 SER H H 7 9.584 9.584 8.444 1.140 19212 3058 1 17 . 1 1 8 8 SER N N 8 115.557 115.557 118.597 -3.040 19212 3059 1 17 . 1 1 8 8 SER HA H 8 5.137 5.137 4.909 0.228 19212 3060 1 17 . 1 1 8 8 SER H H 8 7.776 7.776 7.791 -0.015 19212 3061 1 17 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.481 0.078 19212 3062 1 17 . 1 1 10 10 GLU N N 10 116.738 116.738 116.074 0.664 19212 3063 1 17 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.354 -0.060 19212 3064 1 17 . 1 1 10 10 GLU H H 10 8.165 8.165 8.237 -0.072 19212 3065 1 17 . 1 1 11 11 ASN N N 11 120.592 120.592 120.748 -0.156 19212 3066 1 17 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.804 -0.010 19212 3067 1 17 . 1 1 11 11 ASN H H 11 7.175 7.175 7.595 -0.420 19212 3068 1 17 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.690 0.014 19212 3069 1 17 . 1 1 13 13 CYS N N 13 117.795 117.795 114.841 2.954 19212 3070 1 17 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.678 -0.030 19212 3071 1 17 . 1 1 13 13 CYS H H 13 8.847 8.847 9.344 -0.497 19212 3072 1 17 . 1 1 14 14 CYS N N 14 112.262 112.262 117.450 -5.188 19212 3073 1 17 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.969 0.087 19212 3074 1 17 . 1 1 14 14 CYS H H 14 7.448 7.448 7.470 -0.022 19212 3075 1 17 . 1 1 15 15 ASP N N 15 121.027 121.027 123.501 -2.474 19212 3076 1 17 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.599 -0.029 19212 3077 1 17 . 1 1 15 15 ASP H H 15 8.130 8.130 8.961 -0.831 19212 3078 1 17 . 1 1 16 16 ALA N N 16 130.920 130.920 129.282 1.638 19212 3079 1 17 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.092 0.056 19212 3080 1 17 . 1 1 16 16 ALA H H 16 8.915 8.915 8.595 0.320 19212 3081 1 17 . 1 1 17 17 ALA N N 17 117.732 117.732 121.567 -3.835 19212 3082 1 17 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.017 0.344 19212 3083 1 17 . 1 1 17 17 ALA H H 17 8.588 8.588 8.207 0.381 19212 3084 1 17 . 1 1 18 18 THR N N 18 105.299 105.299 110.973 -5.674 19212 3085 1 17 . 1 1 18 18 THR HA H 18 4.445 4.445 4.230 0.215 19212 3086 1 17 . 1 1 18 18 THR H H 18 7.660 7.660 7.780 -0.120 19212 3087 1 17 . 1 1 19 19 CYS N N 19 119.038 119.038 120.773 -1.735 19212 3088 1 17 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.165 0.477 19212 3089 1 17 . 1 1 19 19 CYS H H 19 8.520 8.520 8.120 0.400 19212 3090 1 17 . 1 1 20 20 LYS N N 20 118.354 118.354 116.829 1.525 19212 3091 1 17 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.681 0.264 19212 3092 1 17 . 1 1 20 20 LYS H H 20 7.878 7.878 7.461 0.417 19212 3093 1 17 . 1 1 21 21 LEU N N 21 120.405 120.405 121.595 -1.190 19212 3094 1 17 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.424 -0.139 19212 3095 1 17 . 1 1 21 21 LEU H H 21 9.127 9.127 8.720 0.407 19212 3096 1 17 . 1 1 22 22 ARG N N 22 122.457 122.457 126.508 -4.051 19212 3097 1 17 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.457 -0.009 19212 3098 1 17 . 1 1 22 22 ARG H H 22 8.403 8.403 8.130 0.273 19212 3099 1 17 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.547 -0.158 19212 3100 1 17 . 1 1 24 24 GLY N N 24 113.629 113.629 107.501 6.128 19212 3101 1 17 . 1 1 24 24 GLY H H 24 8.752 8.752 8.478 0.274 19212 3102 1 17 . 1 1 25 25 ALA N N 25 123.389 123.389 122.230 1.159 19212 3103 1 17 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.435 0.105 19212 3104 1 17 . 1 1 25 25 ALA H H 25 7.857 7.857 8.107 -0.250 19212 3105 1 17 . 1 1 26 26 GLN N N 26 117.396 117.396 117.586 -0.190 19212 3106 1 17 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.306 -0.193 19212 3107 1 17 . 1 1 26 26 GLN H H 26 8.745 8.745 8.405 0.340 19212 3108 1 17 . 1 1 27 27 CYS N N 27 113.256 113.256 115.385 -2.129 19212 3109 1 17 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.804 -0.249 19212 3110 1 17 . 1 1 27 27 CYS H H 27 7.721 7.721 7.389 0.332 19212 3111 1 17 . 1 1 28 28 GLY N N 28 104.864 104.864 107.442 -2.578 19212 3112 1 17 . 1 1 28 28 GLY H H 28 9.086 9.086 8.693 0.393 19212 3113 1 17 . 1 1 29 29 GLU N N 29 118.034 118.034 117.900 0.134 19212 3114 1 17 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.595 0.187 19212 3115 1 17 . 1 1 29 29 GLU H H 29 7.762 7.762 7.813 -0.051 19212 3116 1 17 . 1 1 30 30 GLY N N 30 108.470 108.470 108.069 0.401 19212 3117 1 17 . 1 1 30 30 GLY H H 30 8.315 8.315 8.118 0.197 19212 3118 1 17 . 1 1 31 31 LEU N N 31 120.903 120.903 120.322 0.581 19212 3119 1 17 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.260 0.094 19212 3120 1 17 . 1 1 31 31 LEU H H 31 8.895 8.895 8.684 0.211 19212 3121 1 17 . 1 1 32 32 CYS N N 32 114.873 114.873 115.321 -0.448 19212 3122 1 17 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.680 0.428 19212 3123 1 17 . 1 1 32 32 CYS H H 32 8.376 8.376 8.927 -0.551 19212 3124 1 17 . 1 1 33 33 CYS N N 33 121.151 121.151 121.452 -0.301 19212 3125 1 17 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.555 -0.264 19212 3126 1 17 . 1 1 33 33 CYS H H 33 7.291 7.291 7.922 -0.631 19212 3127 1 17 . 1 1 34 34 GLU N N 34 128.487 128.487 124.561 3.926 19212 3128 1 17 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.611 0.071 19212 3129 1 17 . 1 1 34 34 GLU H H 34 9.652 9.652 8.503 1.149 19212 3130 1 17 . 1 1 35 35 GLN N N 35 125.441 125.441 120.078 5.363 19212 3131 1 17 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.939 0.060 19212 3132 1 17 . 1 1 35 35 GLN H H 35 9.373 9.373 9.085 0.288 19212 3133 1 17 . 1 1 36 36 CYS N N 36 105.424 105.424 109.630 -4.206 19212 3134 1 17 . 1 1 36 36 CYS HA H 36 4.801 4.801 3.961 0.840 19212 3135 1 17 . 1 1 36 36 CYS H H 36 8.410 8.410 8.599 -0.189 19212 3136 1 17 . 1 1 37 37 LYS N N 37 120.965 120.965 118.403 2.562 19212 3137 1 17 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.530 0.173 19212 3138 1 17 . 1 1 37 37 LYS H H 37 7.939 7.939 7.585 0.354 19212 3139 1 17 . 1 1 38 38 PHE N N 38 119.722 119.722 119.515 0.207 19212 3140 1 17 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.952 0.189 19212 3141 1 17 . 1 1 38 38 PHE H H 38 8.192 8.192 8.406 -0.214 19212 3142 1 17 . 1 1 39 39 SER N N 39 121.524 121.524 121.136 0.388 19212 3143 1 17 . 1 1 39 39 SER HA H 39 4.274 4.274 4.447 -0.173 19212 3144 1 17 . 1 1 39 39 SER H H 39 8.963 8.963 9.170 -0.207 19212 3145 1 17 . 1 1 40 40 ARG N N 40 121.711 121.711 119.555 2.156 19212 3146 1 17 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.525 -0.424 19212 3147 1 17 . 1 1 40 40 ARG H H 40 8.485 8.485 8.403 0.082 19212 3148 1 17 . 1 1 41 41 ALA N N 41 123.576 123.576 122.374 1.202 19212 3149 1 17 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.575 -0.851 19212 3150 1 17 . 1 1 41 41 ALA H H 41 8.417 8.417 8.323 0.094 19212 3151 1 17 . 1 1 42 42 GLY N N 42 110.397 110.397 107.653 2.744 19212 3152 1 17 . 1 1 42 42 GLY H H 42 8.520 8.520 8.484 0.036 19212 3153 1 17 . 1 1 43 43 LYS N N 43 122.643 122.643 120.246 2.397 19212 3154 1 17 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.493 -0.344 19212 3155 1 17 . 1 1 43 43 LYS H H 43 7.441 7.441 7.316 0.125 19212 3156 1 17 . 1 1 44 44 ILE N N 44 128.798 128.798 128.983 -0.185 19212 3157 1 17 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.361 -0.239 19212 3158 1 17 . 1 1 44 44 ILE H H 44 8.793 8.793 8.702 0.091 19212 3159 1 17 . 1 1 45 45 CYS N N 45 123.700 123.700 126.168 -2.468 19212 3160 1 17 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.350 0.822 19212 3161 1 17 . 1 1 45 45 CYS H H 45 9.325 9.325 8.568 0.757 19212 3162 1 17 . 1 1 46 46 ARG N N 46 123.265 123.265 117.641 5.624 19212 3163 1 17 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.643 -0.201 19212 3164 1 17 . 1 1 46 46 ARG H H 46 7.475 7.475 7.348 0.127 19212 3165 1 17 . 1 1 47 47 ILE N N 47 127.244 127.244 119.331 7.913 19212 3166 1 17 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.234 0.020 19212 3167 1 17 . 1 1 47 47 ILE H H 47 8.417 8.417 8.393 0.024 19212 3168 1 17 . 1 1 48 48 ALA N N 48 130.660 130.660 128.298 2.362 19212 3169 1 17 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.899 -0.654 19212 3170 1 17 . 1 1 48 48 ALA H H 48 9.322 9.322 8.183 1.139 19212 3171 1 17 . 1 1 49 49 ARG N N 49 120.352 120.352 119.439 0.913 19212 3172 1 17 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.443 -0.036 19212 3173 1 17 . 1 1 49 49 ARG H H 49 8.150 8.150 8.655 -0.505 19212 3174 1 17 . 1 1 50 50 GLY N N 50 108.819 108.819 113.687 -4.868 19212 3175 1 17 . 1 1 50 50 GLY H H 50 7.329 7.329 8.423 -1.094 19212 3176 1 17 . 1 1 51 51 ASP N N 51 121.337 121.337 117.162 4.175 19212 3177 1 17 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.359 0.202 19212 3178 1 17 . 1 1 51 51 ASP H H 51 8.090 8.090 7.218 0.872 19212 3179 1 17 . 1 1 52 52 TRP N N 52 119.227 119.227 121.188 -1.961 19212 3180 1 17 . 1 1 52 52 TRP HA H 52 4.640 4.640 4.569 0.071 19212 3181 1 17 . 1 1 52 52 TRP H H 52 7.812 7.812 7.334 0.478 19212 3182 1 17 . 1 1 53 53 ASN N N 53 116.695 116.695 120.063 -3.368 19212 3183 1 17 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.579 0.171 19212 3184 1 17 . 1 1 53 53 ASN H H 53 8.310 8.310 8.495 -0.185 19212 3185 1 17 . 1 1 54 54 ASP N N 54 119.908 119.908 120.512 -0.604 19212 3186 1 17 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.651 0.168 19212 3187 1 17 . 1 1 54 54 ASP H H 54 8.090 8.090 8.507 -0.417 19212 3188 1 17 . 1 1 55 55 ASP N N 55 121.524 121.524 120.158 1.366 19212 3189 1 17 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.897 0.126 19212 3190 1 17 . 1 1 55 55 ASP H H 55 8.520 8.520 8.382 0.138 19212 3191 1 17 . 1 1 56 56 ARG N N 56 119.970 119.970 121.767 -1.797 19212 3192 1 17 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.817 0.474 19212 3193 1 17 . 1 1 56 56 ARG H H 56 8.533 8.533 8.456 0.077 19212 3194 1 17 . 1 1 57 57 CYS N N 57 119.286 119.286 122.915 -3.629 19212 3195 1 17 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.387 0.469 19212 3196 1 17 . 1 1 57 57 CYS H H 57 9.222 9.222 8.962 0.260 19212 3197 1 17 . 1 1 58 58 THR N N 58 113.194 113.194 117.360 -4.166 19212 3198 1 17 . 1 1 58 58 THR HA H 58 4.442 4.442 4.162 0.280 19212 3199 1 17 . 1 1 58 58 THR H H 58 10.048 10.048 8.946 1.102 19212 3200 1 17 . 1 1 59 59 GLY N N 59 111.765 111.765 108.894 2.871 19212 3201 1 17 . 1 1 59 59 GLY H H 59 8.458 8.458 8.651 -0.193 19212 3202 1 17 . 1 1 60 60 GLN N N 60 114.377 114.377 117.445 -3.068 19212 3203 1 17 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.043 0.255 19212 3204 1 17 . 1 1 60 60 GLN H H 60 7.857 7.857 8.110 -0.253 19212 3205 1 17 . 1 1 61 61 SER N N 61 110.770 110.770 114.877 -4.107 19212 3206 1 17 . 1 1 61 61 SER HA H 61 3.880 3.880 4.280 -0.400 19212 3207 1 17 . 1 1 61 61 SER H H 61 6.540 6.540 7.402 -0.862 19212 3208 1 17 . 1 1 62 62 ALA N N 62 125.565 125.565 129.980 -4.415 19212 3209 1 17 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.330 0.105 19212 3210 1 17 . 1 1 62 62 ALA H H 62 8.936 8.936 8.777 0.159 19212 3211 1 17 . 1 1 63 63 ASP N N 63 117.546 117.546 115.446 2.100 19212 3212 1 17 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.750 0.145 19212 3213 1 17 . 1 1 63 63 ASP H H 63 8.117 8.117 7.991 0.126 19212 3214 1 17 . 1 1 64 64 CYS N N 64 121.338 121.338 118.968 2.370 19212 3215 1 17 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.821 0.620 19212 3216 1 17 . 1 1 64 64 CYS H H 64 8.868 8.868 8.306 0.562 19212 3217 1 17 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.529 -0.168 19212 3218 1 17 . 1 1 66 66 ARG N N 66 119.930 119.930 120.967 -1.037 19212 3219 1 17 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.469 -0.083 19212 3220 1 17 . 1 1 66 66 ARG H H 66 8.232 8.232 8.127 0.105 19212 3221 1 17 . 1 1 67 67 ASN N N 67 124.642 124.642 118.670 5.972 19212 3222 1 17 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.523 0.261 19212 3223 1 17 . 1 1 67 67 ASN H H 67 8.887 8.887 8.453 0.434 19212 3224 1 17 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.384 -0.071 19212 3225 1 17 . 1 1 69 69 TRP N N 69 118.875 118.875 116.071 2.804 19212 3226 1 17 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.620 -0.066 19212 3227 1 17 . 1 1 69 69 TRP H H 69 7.941 7.941 7.303 0.638 19212 3228 1 17 . 1 1 70 70 ASN N N 70 119.579 119.579 119.715 -0.136 19212 3229 1 17 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.154 0.553 19212 3230 1 17 . 1 1 70 70 ASN H H 70 7.866 7.866 7.238 0.628 19212 3231 1 18 . 1 1 2 2 LYS N N 2 121.151 121.151 120.546 0.605 19212 3232 1 18 . 1 1 2 2 LYS H H 2 8.253 8.253 8.153 0.100 19212 3233 1 18 . 1 1 3 3 GLU N N 3 121.214 121.214 117.130 4.084 19212 3234 1 18 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.550 -0.228 19212 3235 1 18 . 1 1 3 3 GLU H H 3 8.581 8.581 7.854 0.727 19212 3236 1 18 . 1 1 4 4 CYS N N 4 119.597 119.597 123.646 -4.049 19212 3237 1 18 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.801 0.174 19212 3238 1 18 . 1 1 4 4 CYS H H 4 8.028 8.028 8.861 -0.833 19212 3239 1 18 . 1 1 5 5 ASP N N 5 119.597 119.597 125.024 -5.427 19212 3240 1 18 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.835 -0.018 19212 3241 1 18 . 1 1 5 5 ASP H H 5 8.690 8.690 9.088 -0.398 19212 3242 1 18 . 1 1 6 6 CYS N N 6 112.573 112.573 115.679 -3.106 19212 3243 1 18 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.790 0.141 19212 3244 1 18 . 1 1 6 6 CYS H H 6 6.888 6.888 7.510 -0.622 19212 3245 1 18 . 1 1 7 7 SER N N 7 119.349 119.349 116.461 2.888 19212 3246 1 18 . 1 1 7 7 SER HA H 7 4.226 4.226 4.584 -0.358 19212 3247 1 18 . 1 1 7 7 SER H H 7 9.584 9.584 9.044 0.540 19212 3248 1 18 . 1 1 8 8 SER N N 8 115.557 115.557 117.563 -2.006 19212 3249 1 18 . 1 1 8 8 SER HA H 8 5.137 5.137 4.895 0.242 19212 3250 1 18 . 1 1 8 8 SER H H 8 7.776 7.776 7.566 0.210 19212 3251 1 18 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.434 0.125 19212 3252 1 18 . 1 1 10 10 GLU N N 10 116.738 116.738 118.096 -1.358 19212 3253 1 18 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.389 -0.095 19212 3254 1 18 . 1 1 10 10 GLU H H 10 8.165 8.165 8.119 0.046 19212 3255 1 18 . 1 1 11 11 ASN N N 11 120.592 120.592 118.318 2.274 19212 3256 1 18 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.986 -0.192 19212 3257 1 18 . 1 1 11 11 ASN H H 11 7.175 7.175 7.544 -0.369 19212 3258 1 18 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.494 0.210 19212 3259 1 18 . 1 1 13 13 CYS N N 13 117.795 117.795 117.826 -0.031 19212 3260 1 18 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.415 0.233 19212 3261 1 18 . 1 1 13 13 CYS H H 13 8.847 8.847 7.855 0.992 19212 3262 1 18 . 1 1 14 14 CYS N N 14 112.262 112.262 116.152 -3.890 19212 3263 1 18 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.839 0.217 19212 3264 1 18 . 1 1 14 14 CYS H H 14 7.448 7.448 7.777 -0.329 19212 3265 1 18 . 1 1 15 15 ASP N N 15 121.027 121.027 124.882 -3.855 19212 3266 1 18 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.528 0.042 19212 3267 1 18 . 1 1 15 15 ASP H H 15 8.130 8.130 8.837 -0.707 19212 3268 1 18 . 1 1 16 16 ALA N N 16 130.920 130.920 129.332 1.588 19212 3269 1 18 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.048 0.100 19212 3270 1 18 . 1 1 16 16 ALA H H 16 8.915 8.915 8.508 0.407 19212 3271 1 18 . 1 1 17 17 ALA N N 17 117.732 117.732 121.753 -4.021 19212 3272 1 18 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.023 0.338 19212 3273 1 18 . 1 1 17 17 ALA H H 17 8.588 8.588 8.350 0.238 19212 3274 1 18 . 1 1 18 18 THR N N 18 105.299 105.299 107.863 -2.564 19212 3275 1 18 . 1 1 18 18 THR HA H 18 4.445 4.445 4.450 -0.005 19212 3276 1 18 . 1 1 18 18 THR H H 18 7.660 7.660 8.031 -0.371 19212 3277 1 18 . 1 1 19 19 CYS N N 19 119.038 119.038 115.337 3.701 19212 3278 1 18 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.094 0.548 19212 3279 1 18 . 1 1 19 19 CYS H H 19 8.520 8.520 8.130 0.390 19212 3280 1 18 . 1 1 20 20 LYS N N 20 118.354 118.354 118.050 0.304 19212 3281 1 18 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.662 0.283 19212 3282 1 18 . 1 1 20 20 LYS H H 20 7.878 7.878 7.292 0.586 19212 3283 1 18 . 1 1 21 21 LEU N N 21 120.405 120.405 120.610 -0.205 19212 3284 1 18 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.374 -0.089 19212 3285 1 18 . 1 1 21 21 LEU H H 21 9.127 9.127 8.549 0.578 19212 3286 1 18 . 1 1 22 22 ARG N N 22 122.457 122.457 126.823 -4.366 19212 3287 1 18 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.359 0.089 19212 3288 1 18 . 1 1 22 22 ARG H H 22 8.403 8.403 8.210 0.193 19212 3289 1 18 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.517 -0.128 19212 3290 1 18 . 1 1 24 24 GLY N N 24 113.629 113.629 106.256 7.373 19212 3291 1 18 . 1 1 24 24 GLY H H 24 8.752 8.752 8.241 0.511 19212 3292 1 18 . 1 1 25 25 ALA N N 25 123.389 123.389 121.748 1.641 19212 3293 1 18 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.272 0.268 19212 3294 1 18 . 1 1 25 25 ALA H H 25 7.857 7.857 7.441 0.416 19212 3295 1 18 . 1 1 26 26 GLN N N 26 117.396 117.396 122.505 -5.109 19212 3296 1 18 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.051 0.062 19212 3297 1 18 . 1 1 26 26 GLN H H 26 8.745 8.745 8.144 0.601 19212 3298 1 18 . 1 1 27 27 CYS N N 27 113.256 113.256 111.917 1.339 19212 3299 1 18 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.816 -0.261 19212 3300 1 18 . 1 1 27 27 CYS H H 27 7.721 7.721 7.120 0.601 19212 3301 1 18 . 1 1 28 28 GLY N N 28 104.864 104.864 108.107 -3.243 19212 3302 1 18 . 1 1 28 28 GLY H H 28 9.086 9.086 8.894 0.192 19212 3303 1 18 . 1 1 29 29 GLU N N 29 118.034 118.034 117.470 0.564 19212 3304 1 18 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.544 0.238 19212 3305 1 18 . 1 1 29 29 GLU H H 29 7.762 7.762 7.592 0.170 19212 3306 1 18 . 1 1 30 30 GLY N N 30 108.470 108.470 107.817 0.653 19212 3307 1 18 . 1 1 30 30 GLY H H 30 8.315 8.315 8.200 0.115 19212 3308 1 18 . 1 1 31 31 LEU N N 31 120.903 120.903 120.589 0.314 19212 3309 1 18 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.660 -0.306 19212 3310 1 18 . 1 1 31 31 LEU H H 31 8.895 8.895 8.195 0.700 19212 3311 1 18 . 1 1 32 32 CYS N N 32 114.873 114.873 116.627 -1.754 19212 3312 1 18 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.721 0.387 19212 3313 1 18 . 1 1 32 32 CYS H H 32 8.376 8.376 8.905 -0.529 19212 3314 1 18 . 1 1 33 33 CYS N N 33 121.151 121.151 122.123 -0.972 19212 3315 1 18 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.374 -0.083 19212 3316 1 18 . 1 1 33 33 CYS H H 33 7.291 7.291 8.590 -1.299 19212 3317 1 18 . 1 1 34 34 GLU N N 34 128.487 128.487 127.849 0.638 19212 3318 1 18 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.493 0.189 19212 3319 1 18 . 1 1 34 34 GLU H H 34 9.652 9.652 8.374 1.278 19212 3320 1 18 . 1 1 35 35 GLN N N 35 125.441 125.441 121.881 3.560 19212 3321 1 18 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.955 0.044 19212 3322 1 18 . 1 1 35 35 GLN H H 35 9.373 9.373 9.122 0.251 19212 3323 1 18 . 1 1 36 36 CYS N N 36 105.424 105.424 114.247 -8.823 19212 3324 1 18 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.138 0.663 19212 3325 1 18 . 1 1 36 36 CYS H H 36 8.410 8.410 8.367 0.043 19212 3326 1 18 . 1 1 37 37 LYS N N 37 120.965 120.965 117.218 3.747 19212 3327 1 18 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.363 0.340 19212 3328 1 18 . 1 1 37 37 LYS H H 37 7.939 7.939 7.344 0.595 19212 3329 1 18 . 1 1 38 38 PHE N N 38 119.722 119.722 121.605 -1.883 19212 3330 1 18 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.865 0.276 19212 3331 1 18 . 1 1 38 38 PHE H H 38 8.192 8.192 8.489 -0.297 19212 3332 1 18 . 1 1 39 39 SER N N 39 121.524 121.524 121.129 0.395 19212 3333 1 18 . 1 1 39 39 SER HA H 39 4.274 4.274 4.361 -0.087 19212 3334 1 18 . 1 1 39 39 SER H H 39 8.963 8.963 9.137 -0.174 19212 3335 1 18 . 1 1 40 40 ARG N N 40 121.711 121.711 119.541 2.170 19212 3336 1 18 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.360 -0.259 19212 3337 1 18 . 1 1 40 40 ARG H H 40 8.485 8.485 8.426 0.059 19212 3338 1 18 . 1 1 41 41 ALA N N 41 123.576 123.576 121.893 1.683 19212 3339 1 18 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.576 -0.852 19212 3340 1 18 . 1 1 41 41 ALA H H 41 8.417 8.417 8.425 -0.008 19212 3341 1 18 . 1 1 42 42 GLY N N 42 110.397 110.397 107.524 2.873 19212 3342 1 18 . 1 1 42 42 GLY H H 42 8.520 8.520 8.523 -0.003 19212 3343 1 18 . 1 1 43 43 LYS N N 43 122.643 122.643 120.220 2.423 19212 3344 1 18 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.549 -0.400 19212 3345 1 18 . 1 1 43 43 LYS H H 43 7.441 7.441 7.323 0.118 19212 3346 1 18 . 1 1 44 44 ILE N N 44 128.798 128.798 128.647 0.151 19212 3347 1 18 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.351 -0.229 19212 3348 1 18 . 1 1 44 44 ILE H H 44 8.793 8.793 8.779 0.014 19212 3349 1 18 . 1 1 45 45 CYS N N 45 123.700 123.700 123.798 -0.098 19212 3350 1 18 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.678 0.494 19212 3351 1 18 . 1 1 45 45 CYS H H 45 9.325 9.325 8.333 0.992 19212 3352 1 18 . 1 1 46 46 ARG N N 46 123.265 123.265 117.959 5.306 19212 3353 1 18 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.577 -0.135 19212 3354 1 18 . 1 1 46 46 ARG H H 46 7.475 7.475 7.473 0.002 19212 3355 1 18 . 1 1 47 47 ILE N N 47 127.244 127.244 118.190 9.054 19212 3356 1 18 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.379 -0.125 19212 3357 1 18 . 1 1 47 47 ILE H H 47 8.417 8.417 8.370 0.047 19212 3358 1 18 . 1 1 48 48 ALA N N 48 130.660 130.660 130.480 0.180 19212 3359 1 18 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.708 -0.463 19212 3360 1 18 . 1 1 48 48 ALA H H 48 9.322 9.322 8.404 0.918 19212 3361 1 18 . 1 1 49 49 ARG N N 49 120.352 120.352 124.109 -3.757 19212 3362 1 18 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.428 -0.021 19212 3363 1 18 . 1 1 49 49 ARG H H 49 8.150 8.150 8.868 -0.718 19212 3364 1 18 . 1 1 50 50 GLY N N 50 108.819 108.819 114.122 -5.303 19212 3365 1 18 . 1 1 50 50 GLY H H 50 7.329 7.329 8.162 -0.833 19212 3366 1 18 . 1 1 51 51 ASP N N 51 121.337 121.337 118.423 2.914 19212 3367 1 18 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.407 0.154 19212 3368 1 18 . 1 1 51 51 ASP H H 51 8.090 8.090 6.359 1.731 19212 3369 1 18 . 1 1 52 52 TRP N N 52 119.227 119.227 120.905 -1.678 19212 3370 1 18 . 1 1 52 52 TRP HA H 52 4.640 4.640 5.050 -0.410 19212 3371 1 18 . 1 1 52 52 TRP H H 52 7.812 7.812 7.317 0.495 19212 3372 1 18 . 1 1 53 53 ASN N N 53 116.695 116.695 119.055 -2.360 19212 3373 1 18 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.899 -0.149 19212 3374 1 18 . 1 1 53 53 ASN H H 53 8.310 8.310 8.325 -0.015 19212 3375 1 18 . 1 1 54 54 ASP N N 54 119.908 119.908 121.441 -1.533 19212 3376 1 18 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.726 0.093 19212 3377 1 18 . 1 1 54 54 ASP H H 54 8.090 8.090 8.493 -0.403 19212 3378 1 18 . 1 1 55 55 ASP N N 55 121.524 121.524 119.375 2.149 19212 3379 1 18 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.813 0.210 19212 3380 1 18 . 1 1 55 55 ASP H H 55 8.520 8.520 8.361 0.159 19212 3381 1 18 . 1 1 56 56 ARG N N 56 119.970 119.970 120.216 -0.246 19212 3382 1 18 . 1 1 56 56 ARG HA H 56 5.291 5.291 5.054 0.237 19212 3383 1 18 . 1 1 56 56 ARG H H 56 8.533 8.533 8.503 0.030 19212 3384 1 18 . 1 1 57 57 CYS N N 57 119.286 119.286 123.643 -4.357 19212 3385 1 18 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.311 0.545 19212 3386 1 18 . 1 1 57 57 CYS H H 57 9.222 9.222 9.065 0.157 19212 3387 1 18 . 1 1 58 58 THR N N 58 113.194 113.194 116.770 -3.576 19212 3388 1 18 . 1 1 58 58 THR HA H 58 4.442 4.442 4.167 0.275 19212 3389 1 18 . 1 1 58 58 THR H H 58 10.048 10.048 8.950 1.098 19212 3390 1 18 . 1 1 59 59 GLY N N 59 111.765 111.765 108.834 2.931 19212 3391 1 18 . 1 1 59 59 GLY H H 59 8.458 8.458 8.409 0.049 19212 3392 1 18 . 1 1 60 60 GLN N N 60 114.377 114.377 116.477 -2.100 19212 3393 1 18 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.162 0.136 19212 3394 1 18 . 1 1 60 60 GLN H H 60 7.857 7.857 7.992 -0.135 19212 3395 1 18 . 1 1 61 61 SER N N 61 110.770 110.770 113.942 -3.172 19212 3396 1 18 . 1 1 61 61 SER HA H 61 3.880 3.880 4.137 -0.257 19212 3397 1 18 . 1 1 61 61 SER H H 61 6.540 6.540 7.369 -0.829 19212 3398 1 18 . 1 1 62 62 ALA N N 62 125.565 125.565 128.608 -3.043 19212 3399 1 18 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.447 -0.012 19212 3400 1 18 . 1 1 62 62 ALA H H 62 8.936 8.936 8.776 0.160 19212 3401 1 18 . 1 1 63 63 ASP N N 63 117.546 117.546 116.051 1.495 19212 3402 1 18 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.736 0.159 19212 3403 1 18 . 1 1 63 63 ASP H H 63 8.117 8.117 8.249 -0.132 19212 3404 1 18 . 1 1 64 64 CYS N N 64 121.338 121.338 119.288 2.050 19212 3405 1 18 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.798 0.643 19212 3406 1 18 . 1 1 64 64 CYS H H 64 8.868 8.868 8.340 0.528 19212 3407 1 18 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.586 -0.225 19212 3408 1 18 . 1 1 66 66 ARG N N 66 119.930 119.930 119.569 0.361 19212 3409 1 18 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.520 -0.134 19212 3410 1 18 . 1 1 66 66 ARG H H 66 8.232 8.232 8.120 0.112 19212 3411 1 18 . 1 1 67 67 ASN N N 67 124.642 124.642 118.692 5.950 19212 3412 1 18 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.792 -0.008 19212 3413 1 18 . 1 1 67 67 ASN H H 67 8.887 8.887 8.628 0.259 19212 3414 1 18 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.025 0.288 19212 3415 1 18 . 1 1 69 69 TRP N N 69 118.875 118.875 117.953 0.922 19212 3416 1 18 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.635 -0.081 19212 3417 1 18 . 1 1 69 69 TRP H H 69 7.941 7.941 7.043 0.898 19212 3418 1 18 . 1 1 70 70 ASN N N 70 119.579 119.579 121.451 -1.872 19212 3419 1 18 . 1 1 70 70 ASN HA H 70 4.707 4.707 5.076 -0.369 19212 3420 1 18 . 1 1 70 70 ASN H H 70 7.866 7.866 7.879 -0.013 19212 3421 1 19 . 1 1 2 2 LYS N N 2 121.151 121.151 122.753 -1.602 19212 3422 1 19 . 1 1 2 2 LYS H H 2 8.253 8.253 8.522 -0.269 19212 3423 1 19 . 1 1 3 3 GLU N N 3 121.214 121.214 119.953 1.261 19212 3424 1 19 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.421 -0.099 19212 3425 1 19 . 1 1 3 3 GLU H H 3 8.581 8.581 8.345 0.236 19212 3426 1 19 . 1 1 4 4 CYS N N 4 119.597 119.597 118.573 1.024 19212 3427 1 19 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.991 -0.016 19212 3428 1 19 . 1 1 4 4 CYS H H 4 8.028 8.028 7.992 0.036 19212 3429 1 19 . 1 1 5 5 ASP N N 5 119.597 119.597 123.914 -4.317 19212 3430 1 19 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.666 0.151 19212 3431 1 19 . 1 1 5 5 ASP H H 5 8.690 8.690 8.451 0.239 19212 3432 1 19 . 1 1 6 6 CYS N N 6 112.573 112.573 114.695 -2.122 19212 3433 1 19 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.699 0.232 19212 3434 1 19 . 1 1 6 6 CYS H H 6 6.888 6.888 7.357 -0.469 19212 3435 1 19 . 1 1 7 7 SER N N 7 119.349 119.349 115.852 3.497 19212 3436 1 19 . 1 1 7 7 SER HA H 7 4.226 4.226 4.571 -0.345 19212 3437 1 19 . 1 1 7 7 SER H H 7 9.584 9.584 8.665 0.919 19212 3438 1 19 . 1 1 8 8 SER N N 8 115.557 115.557 118.702 -3.145 19212 3439 1 19 . 1 1 8 8 SER HA H 8 5.137 5.137 4.778 0.359 19212 3440 1 19 . 1 1 8 8 SER H H 8 7.776 7.776 7.765 0.011 19212 3441 1 19 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.496 0.063 19212 3442 1 19 . 1 1 10 10 GLU N N 10 116.738 116.738 118.242 -1.504 19212 3443 1 19 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.442 -0.148 19212 3444 1 19 . 1 1 10 10 GLU H H 10 8.165 8.165 8.041 0.124 19212 3445 1 19 . 1 1 11 11 ASN N N 11 120.592 120.592 119.281 1.311 19212 3446 1 19 . 1 1 11 11 ASN HA H 11 4.794 4.794 5.033 -0.239 19212 3447 1 19 . 1 1 11 11 ASN H H 11 7.175 7.175 7.716 -0.541 19212 3448 1 19 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.489 0.215 19212 3449 1 19 . 1 1 13 13 CYS N N 13 117.795 117.795 117.679 0.116 19212 3450 1 19 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.575 0.073 19212 3451 1 19 . 1 1 13 13 CYS H H 13 8.847 8.847 8.219 0.628 19212 3452 1 19 . 1 1 14 14 CYS N N 14 112.262 112.262 118.832 -6.570 19212 3453 1 19 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.798 0.258 19212 3454 1 19 . 1 1 14 14 CYS H H 14 7.448 7.448 7.365 0.083 19212 3455 1 19 . 1 1 15 15 ASP N N 15 121.027 121.027 125.246 -4.219 19212 3456 1 19 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.587 -0.017 19212 3457 1 19 . 1 1 15 15 ASP H H 15 8.130 8.130 8.925 -0.795 19212 3458 1 19 . 1 1 16 16 ALA N N 16 130.920 130.920 130.099 0.821 19212 3459 1 19 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.001 0.147 19212 3460 1 19 . 1 1 16 16 ALA H H 16 8.915 8.915 8.671 0.244 19212 3461 1 19 . 1 1 17 17 ALA N N 17 117.732 117.732 122.319 -4.587 19212 3462 1 19 . 1 1 17 17 ALA HA H 17 4.361 4.361 3.996 0.365 19212 3463 1 19 . 1 1 17 17 ALA H H 17 8.588 8.588 8.461 0.127 19212 3464 1 19 . 1 1 18 18 THR N N 18 105.299 105.299 109.243 -3.944 19212 3465 1 19 . 1 1 18 18 THR HA H 18 4.445 4.445 4.225 0.220 19212 3466 1 19 . 1 1 18 18 THR H H 18 7.660 7.660 7.663 -0.003 19212 3467 1 19 . 1 1 19 19 CYS N N 19 119.038 119.038 120.797 -1.759 19212 3468 1 19 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.127 0.515 19212 3469 1 19 . 1 1 19 19 CYS H H 19 8.520 8.520 8.331 0.189 19212 3470 1 19 . 1 1 20 20 LYS N N 20 118.354 118.354 116.716 1.638 19212 3471 1 19 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.748 0.197 19212 3472 1 19 . 1 1 20 20 LYS H H 20 7.878 7.878 7.702 0.176 19212 3473 1 19 . 1 1 21 21 LEU N N 21 120.405 120.405 120.585 -0.180 19212 3474 1 19 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.448 -0.163 19212 3475 1 19 . 1 1 21 21 LEU H H 21 9.127 9.127 8.701 0.426 19212 3476 1 19 . 1 1 22 22 ARG N N 22 122.457 122.457 126.834 -4.377 19212 3477 1 19 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.371 0.077 19212 3478 1 19 . 1 1 22 22 ARG H H 22 8.403 8.403 8.207 0.196 19212 3479 1 19 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.463 -0.074 19212 3480 1 19 . 1 1 24 24 GLY N N 24 113.629 113.629 105.883 7.746 19212 3481 1 19 . 1 1 24 24 GLY H H 24 8.752 8.752 8.371 0.381 19212 3482 1 19 . 1 1 25 25 ALA N N 25 123.389 123.389 121.751 1.638 19212 3483 1 19 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.200 0.340 19212 3484 1 19 . 1 1 25 25 ALA H H 25 7.857 7.857 7.280 0.577 19212 3485 1 19 . 1 1 26 26 GLN N N 26 117.396 117.396 119.348 -1.952 19212 3486 1 19 . 1 1 26 26 GLN HA H 26 4.113 4.113 3.973 0.140 19212 3487 1 19 . 1 1 26 26 GLN H H 26 8.745 8.745 8.370 0.375 19212 3488 1 19 . 1 1 27 27 CYS N N 27 113.256 113.256 110.139 3.117 19212 3489 1 19 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.786 -0.231 19212 3490 1 19 . 1 1 27 27 CYS H H 27 7.721 7.721 7.188 0.533 19212 3491 1 19 . 1 1 28 28 GLY N N 28 104.864 104.864 108.474 -3.610 19212 3492 1 19 . 1 1 28 28 GLY H H 28 9.086 9.086 8.836 0.250 19212 3493 1 19 . 1 1 29 29 GLU N N 29 118.034 118.034 118.288 -0.254 19212 3494 1 19 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.579 0.203 19212 3495 1 19 . 1 1 29 29 GLU H H 29 7.762 7.762 7.690 0.072 19212 3496 1 19 . 1 1 30 30 GLY N N 30 108.470 108.470 109.082 -0.612 19212 3497 1 19 . 1 1 30 30 GLY H H 30 8.315 8.315 8.108 0.207 19212 3498 1 19 . 1 1 31 31 LEU N N 31 120.903 120.903 120.846 0.057 19212 3499 1 19 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.592 -0.238 19212 3500 1 19 . 1 1 31 31 LEU H H 31 8.895 8.895 8.199 0.696 19212 3501 1 19 . 1 1 32 32 CYS N N 32 114.873 114.873 118.767 -3.894 19212 3502 1 19 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.691 0.417 19212 3503 1 19 . 1 1 32 32 CYS H H 32 8.376 8.376 8.456 -0.080 19212 3504 1 19 . 1 1 33 33 CYS N N 33 121.151 121.151 122.491 -1.340 19212 3505 1 19 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.379 -0.088 19212 3506 1 19 . 1 1 33 33 CYS H H 33 7.291 7.291 8.432 -1.141 19212 3507 1 19 . 1 1 34 34 GLU N N 34 128.487 128.487 127.647 0.840 19212 3508 1 19 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.420 0.262 19212 3509 1 19 . 1 1 34 34 GLU H H 34 9.652 9.652 8.260 1.392 19212 3510 1 19 . 1 1 35 35 GLN N N 35 125.441 125.441 123.758 1.683 19212 3511 1 19 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.959 0.040 19212 3512 1 19 . 1 1 35 35 GLN H H 35 9.373 9.373 9.129 0.244 19212 3513 1 19 . 1 1 36 36 CYS N N 36 105.424 105.424 112.598 -7.174 19212 3514 1 19 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.226 0.575 19212 3515 1 19 . 1 1 36 36 CYS H H 36 8.410 8.410 8.471 -0.061 19212 3516 1 19 . 1 1 37 37 LYS N N 37 120.965 120.965 117.388 3.577 19212 3517 1 19 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.402 0.301 19212 3518 1 19 . 1 1 37 37 LYS H H 37 7.939 7.939 7.200 0.739 19212 3519 1 19 . 1 1 38 38 PHE N N 38 119.722 119.722 120.256 -0.534 19212 3520 1 19 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.876 0.265 19212 3521 1 19 . 1 1 38 38 PHE H H 38 8.192 8.192 8.472 -0.280 19212 3522 1 19 . 1 1 39 39 SER N N 39 121.524 121.524 121.197 0.327 19212 3523 1 19 . 1 1 39 39 SER HA H 39 4.274 4.274 4.438 -0.164 19212 3524 1 19 . 1 1 39 39 SER H H 39 8.963 8.963 8.981 -0.018 19212 3525 1 19 . 1 1 40 40 ARG N N 40 121.711 121.711 118.802 2.909 19212 3526 1 19 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.565 -0.464 19212 3527 1 19 . 1 1 40 40 ARG H H 40 8.485 8.485 8.233 0.252 19212 3528 1 19 . 1 1 41 41 ALA N N 41 123.576 123.576 123.744 -0.168 19212 3529 1 19 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.417 -0.693 19212 3530 1 19 . 1 1 41 41 ALA H H 41 8.417 8.417 8.396 0.021 19212 3531 1 19 . 1 1 42 42 GLY N N 42 110.397 110.397 108.414 1.983 19212 3532 1 19 . 1 1 42 42 GLY H H 42 8.520 8.520 8.719 -0.199 19212 3533 1 19 . 1 1 43 43 LYS N N 43 122.643 122.643 120.431 2.212 19212 3534 1 19 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.582 -0.433 19212 3535 1 19 . 1 1 43 43 LYS H H 43 7.441 7.441 7.326 0.115 19212 3536 1 19 . 1 1 44 44 ILE N N 44 128.798 128.798 129.528 -0.730 19212 3537 1 19 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.250 -0.128 19212 3538 1 19 . 1 1 44 44 ILE H H 44 8.793 8.793 8.731 0.062 19212 3539 1 19 . 1 1 45 45 CYS N N 45 123.700 123.700 124.965 -1.265 19212 3540 1 19 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.474 0.698 19212 3541 1 19 . 1 1 45 45 CYS H H 45 9.325 9.325 8.679 0.646 19212 3542 1 19 . 1 1 46 46 ARG N N 46 123.265 123.265 117.930 5.335 19212 3543 1 19 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.565 -0.123 19212 3544 1 19 . 1 1 46 46 ARG H H 46 7.475 7.475 7.490 -0.015 19212 3545 1 19 . 1 1 47 47 ILE N N 47 127.244 127.244 122.532 4.712 19212 3546 1 19 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.440 -0.186 19212 3547 1 19 . 1 1 47 47 ILE H H 47 8.417 8.417 8.432 -0.015 19212 3548 1 19 . 1 1 48 48 ALA N N 48 130.660 130.660 132.089 -1.429 19212 3549 1 19 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.552 -0.307 19212 3550 1 19 . 1 1 48 48 ALA H H 48 9.322 9.322 8.340 0.982 19212 3551 1 19 . 1 1 49 49 ARG N N 49 120.352 120.352 120.211 0.141 19212 3552 1 19 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.306 0.101 19212 3553 1 19 . 1 1 49 49 ARG H H 49 8.150 8.150 8.802 -0.652 19212 3554 1 19 . 1 1 50 50 GLY N N 50 108.819 108.819 114.359 -5.540 19212 3555 1 19 . 1 1 50 50 GLY H H 50 7.329 7.329 8.482 -1.153 19212 3556 1 19 . 1 1 51 51 ASP N N 51 121.337 121.337 117.086 4.251 19212 3557 1 19 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.374 0.187 19212 3558 1 19 . 1 1 51 51 ASP H H 51 8.090 8.090 7.380 0.710 19212 3559 1 19 . 1 1 52 52 TRP N N 52 119.227 119.227 121.009 -1.782 19212 3560 1 19 . 1 1 52 52 TRP HA H 52 4.640 4.640 4.544 0.096 19212 3561 1 19 . 1 1 52 52 TRP H H 52 7.812 7.812 7.221 0.591 19212 3562 1 19 . 1 1 53 53 ASN N N 53 116.695 116.695 119.901 -3.206 19212 3563 1 19 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.544 0.206 19212 3564 1 19 . 1 1 53 53 ASN H H 53 8.310 8.310 8.467 -0.157 19212 3565 1 19 . 1 1 54 54 ASP N N 54 119.908 119.908 119.116 0.792 19212 3566 1 19 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.607 0.212 19212 3567 1 19 . 1 1 54 54 ASP H H 54 8.090 8.090 8.372 -0.282 19212 3568 1 19 . 1 1 55 55 ASP N N 55 121.524 121.524 119.524 2.000 19212 3569 1 19 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.859 0.164 19212 3570 1 19 . 1 1 55 55 ASP H H 55 8.520 8.520 8.325 0.195 19212 3571 1 19 . 1 1 56 56 ARG N N 56 119.970 119.970 122.845 -2.875 19212 3572 1 19 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.655 0.636 19212 3573 1 19 . 1 1 56 56 ARG H H 56 8.533 8.533 8.451 0.082 19212 3574 1 19 . 1 1 57 57 CYS N N 57 119.286 119.286 122.381 -3.095 19212 3575 1 19 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.387 0.469 19212 3576 1 19 . 1 1 57 57 CYS H H 57 9.222 9.222 8.848 0.374 19212 3577 1 19 . 1 1 58 58 THR N N 58 113.194 113.194 116.942 -3.748 19212 3578 1 19 . 1 1 58 58 THR HA H 58 4.442 4.442 4.191 0.251 19212 3579 1 19 . 1 1 58 58 THR H H 58 10.048 10.048 9.050 0.998 19212 3580 1 19 . 1 1 59 59 GLY N N 59 111.765 111.765 109.236 2.529 19212 3581 1 19 . 1 1 59 59 GLY H H 59 8.458 8.458 8.480 -0.022 19212 3582 1 19 . 1 1 60 60 GLN N N 60 114.377 114.377 116.915 -2.538 19212 3583 1 19 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.035 0.263 19212 3584 1 19 . 1 1 60 60 GLN H H 60 7.857 7.857 7.993 -0.136 19212 3585 1 19 . 1 1 61 61 SER N N 61 110.770 110.770 113.698 -2.928 19212 3586 1 19 . 1 1 61 61 SER HA H 61 3.880 3.880 4.125 -0.245 19212 3587 1 19 . 1 1 61 61 SER H H 61 6.540 6.540 7.283 -0.743 19212 3588 1 19 . 1 1 62 62 ALA N N 62 125.565 125.565 130.904 -5.339 19212 3589 1 19 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.267 0.168 19212 3590 1 19 . 1 1 62 62 ALA H H 62 8.936 8.936 8.945 -0.009 19212 3591 1 19 . 1 1 63 63 ASP N N 63 117.546 117.546 115.879 1.667 19212 3592 1 19 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.758 0.137 19212 3593 1 19 . 1 1 63 63 ASP H H 63 8.117 8.117 7.914 0.203 19212 3594 1 19 . 1 1 64 64 CYS N N 64 121.338 121.338 118.225 3.113 19212 3595 1 19 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.954 0.487 19212 3596 1 19 . 1 1 64 64 CYS H H 64 8.868 8.868 8.336 0.532 19212 3597 1 19 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.867 -0.506 19212 3598 1 19 . 1 1 66 66 ARG N N 66 119.930 119.930 115.715 4.215 19212 3599 1 19 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.920 -0.534 19212 3600 1 19 . 1 1 66 66 ARG H H 66 8.232 8.232 8.172 0.060 19212 3601 1 19 . 1 1 67 67 ASN N N 67 124.642 124.642 118.060 6.582 19212 3602 1 19 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.841 -0.057 19212 3603 1 19 . 1 1 67 67 ASN H H 67 8.887 8.887 8.516 0.371 19212 3604 1 19 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.241 0.072 19212 3605 1 19 . 1 1 69 69 TRP N N 69 118.875 118.875 117.138 1.737 19212 3606 1 19 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.750 -0.196 19212 3607 1 19 . 1 1 69 69 TRP H H 69 7.941 7.941 7.533 0.408 19212 3608 1 19 . 1 1 70 70 ASN N N 70 119.579 119.579 118.243 1.336 19212 3609 1 19 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.530 0.177 19212 3610 1 19 . 1 1 70 70 ASN H H 70 7.866 7.866 7.497 0.369 19212 3611 1 20 . 1 1 2 2 LYS N N 2 121.151 121.151 121.662 -0.511 19212 3612 1 20 . 1 1 2 2 LYS H H 2 8.253 8.253 8.214 0.039 19212 3613 1 20 . 1 1 3 3 GLU N N 3 121.214 121.214 119.915 1.299 19212 3614 1 20 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.370 -0.048 19212 3615 1 20 . 1 1 3 3 GLU H H 3 8.581 8.581 8.371 0.210 19212 3616 1 20 . 1 1 4 4 CYS N N 4 119.597 119.597 118.439 1.158 19212 3617 1 20 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.803 0.172 19212 3618 1 20 . 1 1 4 4 CYS H H 4 8.028 8.028 7.779 0.249 19212 3619 1 20 . 1 1 5 5 ASP N N 5 119.597 119.597 124.637 -5.040 19212 3620 1 20 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.593 0.224 19212 3621 1 20 . 1 1 5 5 ASP H H 5 8.690 8.690 8.907 -0.217 19212 3622 1 20 . 1 1 6 6 CYS N N 6 112.573 112.573 113.195 -0.622 19212 3623 1 20 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.882 0.049 19212 3624 1 20 . 1 1 6 6 CYS H H 6 6.888 6.888 7.814 -0.926 19212 3625 1 20 . 1 1 7 7 SER N N 7 119.349 119.349 115.090 4.259 19212 3626 1 20 . 1 1 7 7 SER HA H 7 4.226 4.226 4.550 -0.324 19212 3627 1 20 . 1 1 7 7 SER H H 7 9.584 9.584 8.835 0.749 19212 3628 1 20 . 1 1 8 8 SER N N 8 115.557 115.557 118.736 -3.179 19212 3629 1 20 . 1 1 8 8 SER HA H 8 5.137 5.137 4.779 0.358 19212 3630 1 20 . 1 1 8 8 SER H H 8 7.776 7.776 7.991 -0.215 19212 3631 1 20 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.531 0.028 19212 3632 1 20 . 1 1 10 10 GLU N N 10 116.738 116.738 116.637 0.101 19212 3633 1 20 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.247 0.047 19212 3634 1 20 . 1 1 10 10 GLU H H 10 8.165 8.165 8.276 -0.111 19212 3635 1 20 . 1 1 11 11 ASN N N 11 120.592 120.592 119.619 0.973 19212 3636 1 20 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.764 0.030 19212 3637 1 20 . 1 1 11 11 ASN H H 11 7.175 7.175 7.509 -0.334 19212 3638 1 20 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.462 0.242 19212 3639 1 20 . 1 1 13 13 CYS N N 13 117.795 117.795 117.150 0.645 19212 3640 1 20 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.448 0.200 19212 3641 1 20 . 1 1 13 13 CYS H H 13 8.847 8.847 8.071 0.776 19212 3642 1 20 . 1 1 14 14 CYS N N 14 112.262 112.262 116.792 -4.530 19212 3643 1 20 . 1 1 14 14 CYS HA H 14 5.056 5.056 5.071 -0.015 19212 3644 1 20 . 1 1 14 14 CYS H H 14 7.448 7.448 7.428 0.020 19212 3645 1 20 . 1 1 15 15 ASP N N 15 121.027 121.027 124.442 -3.415 19212 3646 1 20 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.514 0.056 19212 3647 1 20 . 1 1 15 15 ASP H H 15 8.130 8.130 8.742 -0.612 19212 3648 1 20 . 1 1 16 16 ALA N N 16 130.920 130.920 129.523 1.397 19212 3649 1 20 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.044 0.104 19212 3650 1 20 . 1 1 16 16 ALA H H 16 8.915 8.915 8.656 0.259 19212 3651 1 20 . 1 1 17 17 ALA N N 17 117.732 117.732 121.866 -4.134 19212 3652 1 20 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.058 0.303 19212 3653 1 20 . 1 1 17 17 ALA H H 17 8.588 8.588 8.246 0.342 19212 3654 1 20 . 1 1 18 18 THR N N 18 105.299 105.299 107.887 -2.588 19212 3655 1 20 . 1 1 18 18 THR HA H 18 4.445 4.445 4.310 0.135 19212 3656 1 20 . 1 1 18 18 THR H H 18 7.660 7.660 7.910 -0.250 19212 3657 1 20 . 1 1 19 19 CYS N N 19 119.038 119.038 115.475 3.563 19212 3658 1 20 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.190 0.452 19212 3659 1 20 . 1 1 19 19 CYS H H 19 8.520 8.520 7.643 0.877 19212 3660 1 20 . 1 1 20 20 LYS N N 20 118.354 118.354 118.151 0.203 19212 3661 1 20 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.701 0.244 19212 3662 1 20 . 1 1 20 20 LYS H H 20 7.878 7.878 7.324 0.554 19212 3663 1 20 . 1 1 21 21 LEU N N 21 120.405 120.405 120.782 -0.377 19212 3664 1 20 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.529 -0.244 19212 3665 1 20 . 1 1 21 21 LEU H H 21 9.127 9.127 8.564 0.563 19212 3666 1 20 . 1 1 22 22 ARG N N 22 122.457 122.457 125.478 -3.021 19212 3667 1 20 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.376 0.072 19212 3668 1 20 . 1 1 22 22 ARG H H 22 8.403 8.403 8.041 0.362 19212 3669 1 20 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.520 -0.131 19212 3670 1 20 . 1 1 24 24 GLY N N 24 113.629 113.629 106.836 6.793 19212 3671 1 20 . 1 1 24 24 GLY H H 24 8.752 8.752 8.382 0.370 19212 3672 1 20 . 1 1 25 25 ALA N N 25 123.389 123.389 122.123 1.266 19212 3673 1 20 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.268 0.273 19212 3674 1 20 . 1 1 25 25 ALA H H 25 7.857 7.857 7.113 0.744 19212 3675 1 20 . 1 1 26 26 GLN N N 26 117.396 117.396 121.446 -4.050 19212 3676 1 20 . 1 1 26 26 GLN HA H 26 4.113 4.113 3.930 0.183 19212 3677 1 20 . 1 1 26 26 GLN H H 26 8.745 8.745 8.399 0.346 19212 3678 1 20 . 1 1 27 27 CYS N N 27 113.256 113.256 115.389 -2.133 19212 3679 1 20 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.696 -0.141 19212 3680 1 20 . 1 1 27 27 CYS H H 27 7.721 7.721 8.011 -0.290 19212 3681 1 20 . 1 1 28 28 GLY N N 28 104.864 104.864 108.864 -4.000 19212 3682 1 20 . 1 1 28 28 GLY H H 28 9.086 9.086 8.650 0.436 19212 3683 1 20 . 1 1 29 29 GLU N N 29 118.034 118.034 118.480 -0.446 19212 3684 1 20 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.552 0.230 19212 3685 1 20 . 1 1 29 29 GLU H H 29 7.762 7.762 7.596 0.166 19212 3686 1 20 . 1 1 30 30 GLY N N 30 108.470 108.470 109.125 -0.655 19212 3687 1 20 . 1 1 30 30 GLY H H 30 8.315 8.315 8.047 0.268 19212 3688 1 20 . 1 1 31 31 LEU N N 31 120.903 120.903 117.301 3.602 19212 3689 1 20 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.456 -0.102 19212 3690 1 20 . 1 1 31 31 LEU H H 31 8.895 8.895 8.414 0.481 19212 3691 1 20 . 1 1 32 32 CYS N N 32 114.873 114.873 118.607 -3.734 19212 3692 1 20 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.630 0.478 19212 3693 1 20 . 1 1 32 32 CYS H H 32 8.376 8.376 8.253 0.123 19212 3694 1 20 . 1 1 33 33 CYS N N 33 121.151 121.151 122.394 -1.243 19212 3695 1 20 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.472 -0.181 19212 3696 1 20 . 1 1 33 33 CYS H H 33 7.291 7.291 7.482 -0.191 19212 3697 1 20 . 1 1 34 34 GLU N N 34 128.487 128.487 124.088 4.399 19212 3698 1 20 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.535 0.147 19212 3699 1 20 . 1 1 34 34 GLU H H 34 9.652 9.652 8.638 1.014 19212 3700 1 20 . 1 1 35 35 GLN N N 35 125.441 125.441 121.965 3.476 19212 3701 1 20 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.947 0.052 19212 3702 1 20 . 1 1 35 35 GLN H H 35 9.373 9.373 9.136 0.237 19212 3703 1 20 . 1 1 36 36 CYS N N 36 105.424 105.424 111.765 -6.341 19212 3704 1 20 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.229 0.572 19212 3705 1 20 . 1 1 36 36 CYS H H 36 8.410 8.410 8.438 -0.028 19212 3706 1 20 . 1 1 37 37 LYS N N 37 120.965 120.965 118.004 2.961 19212 3707 1 20 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.615 0.088 19212 3708 1 20 . 1 1 37 37 LYS H H 37 7.939 7.939 7.805 0.134 19212 3709 1 20 . 1 1 38 38 PHE N N 38 119.722 119.722 120.747 -1.025 19212 3710 1 20 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.871 0.270 19212 3711 1 20 . 1 1 38 38 PHE H H 38 8.192 8.192 8.350 -0.158 19212 3712 1 20 . 1 1 39 39 SER N N 39 121.524 121.524 120.215 1.309 19212 3713 1 20 . 1 1 39 39 SER HA H 39 4.274 4.274 4.342 -0.068 19212 3714 1 20 . 1 1 39 39 SER H H 39 8.963 8.963 9.153 -0.190 19212 3715 1 20 . 1 1 40 40 ARG N N 40 121.711 121.711 119.315 2.396 19212 3716 1 20 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.496 -0.395 19212 3717 1 20 . 1 1 40 40 ARG H H 40 8.485 8.485 8.366 0.119 19212 3718 1 20 . 1 1 41 41 ALA N N 41 123.576 123.576 121.690 1.886 19212 3719 1 20 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.654 -0.930 19212 3720 1 20 . 1 1 41 41 ALA H H 41 8.417 8.417 8.074 0.343 19212 3721 1 20 . 1 1 42 42 GLY N N 42 110.397 110.397 109.030 1.367 19212 3722 1 20 . 1 1 42 42 GLY H H 42 8.520 8.520 9.016 -0.496 19212 3723 1 20 . 1 1 43 43 LYS N N 43 122.643 122.643 120.263 2.380 19212 3724 1 20 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.445 -0.296 19212 3725 1 20 . 1 1 43 43 LYS H H 43 7.441 7.441 7.301 0.140 19212 3726 1 20 . 1 1 44 44 ILE N N 44 128.798 128.798 129.565 -0.767 19212 3727 1 20 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.280 -0.158 19212 3728 1 20 . 1 1 44 44 ILE H H 44 8.793 8.793 8.702 0.091 19212 3729 1 20 . 1 1 45 45 CYS N N 45 123.700 123.700 124.711 -1.011 19212 3730 1 20 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.545 0.627 19212 3731 1 20 . 1 1 45 45 CYS H H 45 9.325 9.325 8.855 0.470 19212 3732 1 20 . 1 1 46 46 ARG N N 46 123.265 123.265 119.232 4.033 19212 3733 1 20 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.653 -0.211 19212 3734 1 20 . 1 1 46 46 ARG H H 46 7.475 7.475 7.550 -0.075 19212 3735 1 20 . 1 1 47 47 ILE N N 47 127.244 127.244 120.885 6.359 19212 3736 1 20 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.158 0.096 19212 3737 1 20 . 1 1 47 47 ILE H H 47 8.417 8.417 8.545 -0.128 19212 3738 1 20 . 1 1 48 48 ALA N N 48 130.660 130.660 127.176 3.484 19212 3739 1 20 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.975 -0.730 19212 3740 1 20 . 1 1 48 48 ALA H H 48 9.322 9.322 8.291 1.030 19212 3741 1 20 . 1 1 49 49 ARG N N 49 120.352 120.352 124.071 -3.719 19212 3742 1 20 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.385 0.022 19212 3743 1 20 . 1 1 49 49 ARG H H 49 8.150 8.150 9.075 -0.925 19212 3744 1 20 . 1 1 50 50 GLY N N 50 108.819 108.819 111.846 -3.027 19212 3745 1 20 . 1 1 50 50 GLY H H 50 7.329 7.329 8.206 -0.877 19212 3746 1 20 . 1 1 51 51 ASP N N 51 121.337 121.337 117.414 3.923 19212 3747 1 20 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.431 0.130 19212 3748 1 20 . 1 1 51 51 ASP H H 51 8.090 8.090 7.448 0.642 19212 3749 1 20 . 1 1 52 52 TRP N N 52 119.227 119.227 121.047 -1.820 19212 3750 1 20 . 1 1 52 52 TRP HA H 52 4.640 4.640 4.547 0.093 19212 3751 1 20 . 1 1 52 52 TRP H H 52 7.812 7.812 7.384 0.428 19212 3752 1 20 . 1 1 53 53 ASN N N 53 116.695 116.695 120.569 -3.874 19212 3753 1 20 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.594 0.156 19212 3754 1 20 . 1 1 53 53 ASN H H 53 8.310 8.310 8.375 -0.065 19212 3755 1 20 . 1 1 54 54 ASP N N 54 119.908 119.908 119.465 0.443 19212 3756 1 20 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.553 0.266 19212 3757 1 20 . 1 1 54 54 ASP H H 54 8.090 8.090 8.401 -0.311 19212 3758 1 20 . 1 1 55 55 ASP N N 55 121.524 121.524 118.857 2.667 19212 3759 1 20 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.862 0.161 19212 3760 1 20 . 1 1 55 55 ASP H H 55 8.520 8.520 8.377 0.143 19212 3761 1 20 . 1 1 56 56 ARG N N 56 119.970 119.970 122.799 -2.829 19212 3762 1 20 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.534 0.757 19212 3763 1 20 . 1 1 56 56 ARG H H 56 8.533 8.533 8.451 0.082 19212 3764 1 20 . 1 1 57 57 CYS N N 57 119.286 119.286 124.165 -4.879 19212 3765 1 20 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.351 0.505 19212 3766 1 20 . 1 1 57 57 CYS H H 57 9.222 9.222 8.758 0.464 19212 3767 1 20 . 1 1 58 58 THR N N 58 113.194 113.194 118.571 -5.377 19212 3768 1 20 . 1 1 58 58 THR HA H 58 4.442 4.442 4.161 0.281 19212 3769 1 20 . 1 1 58 58 THR H H 58 10.048 10.048 8.990 1.058 19212 3770 1 20 . 1 1 59 59 GLY N N 59 111.765 111.765 110.057 1.708 19212 3771 1 20 . 1 1 59 59 GLY H H 59 8.458 8.458 7.883 0.575 19212 3772 1 20 . 1 1 60 60 GLN N N 60 114.377 114.377 119.395 -5.018 19212 3773 1 20 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.546 -0.248 19212 3774 1 20 . 1 1 60 60 GLN H H 60 7.857 7.857 8.427 -0.570 19212 3775 1 20 . 1 1 61 61 SER N N 61 110.770 110.770 114.000 -3.230 19212 3776 1 20 . 1 1 61 61 SER HA H 61 3.880 3.880 4.230 -0.350 19212 3777 1 20 . 1 1 61 61 SER H H 61 6.540 6.540 7.310 -0.770 19212 3778 1 20 . 1 1 62 62 ALA N N 62 125.565 125.565 124.691 0.874 19212 3779 1 20 . 1 1 62 62 ALA HA H 62 4.435 4.435 3.822 0.613 19212 3780 1 20 . 1 1 62 62 ALA H H 62 8.936 8.936 8.423 0.513 19212 3781 1 20 . 1 1 63 63 ASP N N 63 117.546 117.546 115.682 1.864 19212 3782 1 20 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.579 0.316 19212 3783 1 20 . 1 1 63 63 ASP H H 63 8.117 8.117 7.956 0.161 19212 3784 1 20 . 1 1 64 64 CYS N N 64 121.338 121.338 118.771 2.567 19212 3785 1 20 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.823 0.618 19212 3786 1 20 . 1 1 64 64 CYS H H 64 8.868 8.868 8.201 0.667 19212 3787 1 20 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.493 -0.132 19212 3788 1 20 . 1 1 66 66 ARG N N 66 119.930 119.930 122.765 -2.835 19212 3789 1 20 . 1 1 66 66 ARG HA H 66 4.386 4.386 5.000 -0.614 19212 3790 1 20 . 1 1 66 66 ARG H H 66 8.232 8.232 8.223 0.009 19212 3791 1 20 . 1 1 67 67 ASN N N 67 124.642 124.642 116.626 8.016 19212 3792 1 20 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.688 0.096 19212 3793 1 20 . 1 1 67 67 ASN H H 67 8.887 8.887 8.410 0.477 19212 3794 1 20 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.362 -0.049 19212 3795 1 20 . 1 1 69 69 TRP N N 69 118.875 118.875 115.858 3.017 19212 3796 1 20 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.610 -0.056 19212 3797 1 20 . 1 1 69 69 TRP H H 69 7.941 7.941 7.264 0.677 19212 3798 1 20 . 1 1 70 70 ASN N N 70 119.579 119.579 121.631 -2.052 19212 3799 1 20 . 1 1 70 70 ASN HA H 70 4.707 4.707 3.719 0.988 19212 3800 1 20 . 1 1 70 70 ASN H H 70 7.866 7.866 7.351 0.514 19212 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 64 3.395 0.428 3.395 19212 2 1 1 "Average Difference" HA 74 0.360 -0.102 0.347 19212 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19212 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19212 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19212 6 1 1 "Average Difference" HN 64 0.503 -0.135 0.488 19212 7 1 2 "Average Difference" N 64 3.221 0.577 3.194 19212 8 1 2 "Average Difference" HA 74 0.397 -0.142 0.373 19212 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19212 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19212 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19212 12 1 2 "Average Difference" HN 64 0.599 -0.193 0.572 19212 13 1 3 "Average Difference" N 64 3.623 0.354 3.635 19212 14 1 3 "Average Difference" HA 74 0.356 -0.093 0.346 19212 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19212 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19212 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19212 18 1 3 "Average Difference" HN 64 0.499 -0.150 0.479 19212 19 1 4 "Average Difference" N 64 3.077 0.294 3.087 19212 20 1 4 "Average Difference" HA 74 0.335 -0.106 0.320 19212 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19212 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19212 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19212 24 1 4 "Average Difference" HN 64 0.503 -0.151 0.484 19212 25 1 5 "Average Difference" N 64 3.390 0.521 3.376 19212 26 1 5 "Average Difference" HA 74 0.372 -0.155 0.341 19212 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19212 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19212 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19212 30 1 5 "Average Difference" HN 64 0.519 -0.129 0.507 19212 31 1 6 "Average Difference" N 64 3.287 0.191 3.308 19212 32 1 6 "Average Difference" HA 74 0.345 -0.092 0.335 19212 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19212 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19212 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19212 36 1 6 "Average Difference" HN 64 0.529 -0.173 0.504 19212 37 1 7 "Average Difference" N 64 3.252 -0.160 3.274 19212 38 1 7 "Average Difference" HA 74 0.365 -0.118 0.348 19212 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19212 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19212 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19212 42 1 7 "Average Difference" HN 64 0.445 -0.176 0.412 19212 43 1 8 "Average Difference" N 64 2.940 0.353 2.942 19212 44 1 8 "Average Difference" HA 74 0.391 -0.139 0.369 19212 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19212 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19212 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19212 48 1 8 "Average Difference" HN 64 0.521 -0.153 0.501 19212 49 1 9 "Average Difference" N 64 3.307 0.390 3.310 19212 50 1 9 "Average Difference" HA 74 0.397 -0.127 0.379 19212 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19212 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19212 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19212 54 1 9 "Average Difference" HN 64 0.564 -0.189 0.535 19212 55 1 10 "Average Difference" N 64 3.105 0.062 3.129 19212 56 1 10 "Average Difference" HA 74 0.334 -0.092 0.324 19212 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19212 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19212 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19212 60 1 10 "Average Difference" HN 64 0.563 -0.150 0.547 19212 61 1 11 "Average Difference" N 64 2.980 0.149 3.000 19212 62 1 11 "Average Difference" HA 74 0.341 -0.113 0.324 19212 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19212 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19212 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19212 66 1 11 "Average Difference" HN 64 0.495 -0.130 0.481 19212 67 1 12 "Average Difference" N 64 3.393 0.674 3.352 19212 68 1 12 "Average Difference" HA 74 0.381 -0.124 0.363 19212 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19212 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19212 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19212 72 1 12 "Average Difference" HN 64 0.502 -0.137 0.487 19212 73 1 13 "Average Difference" N 64 3.422 -0.017 3.449 19212 74 1 13 "Average Difference" HA 74 0.470 -0.112 0.460 19212 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19212 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19212 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19212 78 1 13 "Average Difference" HN 64 0.537 -0.177 0.511 19212 79 1 14 "Average Difference" N 64 3.134 0.484 3.121 19212 80 1 14 "Average Difference" HA 74 0.355 -0.090 0.346 19212 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19212 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19212 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19212 84 1 14 "Average Difference" HN 64 0.496 -0.104 0.489 19212 85 1 15 "Average Difference" N 64 3.195 0.129 3.218 19212 86 1 15 "Average Difference" HA 74 0.344 -0.067 0.340 19212 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19212 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19212 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19212 90 1 15 "Average Difference" HN 64 0.499 -0.117 0.489 19212 91 1 16 "Average Difference" N 64 3.301 0.220 3.319 19212 92 1 16 "Average Difference" HA 74 0.358 -0.117 0.341 19212 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19212 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19212 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19212 96 1 16 "Average Difference" HN 64 0.558 -0.150 0.542 19212 97 1 17 "Average Difference" N 64 3.144 0.076 3.168 19212 98 1 17 "Average Difference" HA 74 0.365 -0.107 0.352 19212 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19212 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19212 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19212 102 1 17 "Average Difference" HN 64 0.478 -0.102 0.470 19212 103 1 18 "Average Difference" N 64 3.301 0.179 3.322 19212 104 1 18 "Average Difference" HA 74 0.349 -0.094 0.338 19212 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19212 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19212 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19212 108 1 18 "Average Difference" HN 64 0.567 -0.145 0.552 19212 109 1 19 "Average Difference" N 64 3.191 0.284 3.203 19212 110 1 19 "Average Difference" HA 74 0.351 -0.107 0.337 19212 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19212 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 19212 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19212 114 1 19 "Average Difference" HN 64 0.486 -0.141 0.469 19212 115 1 20 "Average Difference" N 64 3.266 0.111 3.290 19212 116 1 20 "Average Difference" HA 74 0.391 -0.126 0.373 19212 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19212 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19212 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19212 120 1 20 "Average Difference" HN 64 0.491 -0.159 0.468 19212 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 19212 _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 LYS N N 2 121.151 121.151 122.232 -1.081 19212 2 1 . 1 1 2 2 LYS H H 2 8.253 8.253 8.363 -0.110 19212 3 1 . 1 1 3 3 GLU N N 3 121.214 121.214 119.104 2.110 19212 4 1 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.437 -0.115 19212 5 1 . 1 1 3 3 GLU H H 3 8.581 8.581 8.336 0.245 19212 6 1 . 1 1 4 4 CYS N N 4 119.597 119.597 119.224 0.372 19212 7 1 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.825 0.150 19212 8 1 . 1 1 4 4 CYS H H 4 8.028 8.028 7.935 0.093 19212 9 1 . 1 1 5 5 ASP N N 5 119.597 119.597 125.001 -5.404 19212 10 1 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.736 0.081 19212 11 1 . 1 1 5 5 ASP H H 5 8.690 8.690 8.977 -0.287 19212 12 1 . 1 1 6 6 CYS N N 6 112.573 112.573 114.104 -1.531 19212 13 1 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.893 0.038 19212 14 1 . 1 1 6 6 CYS H H 6 6.888 6.888 7.569 -0.681 19212 15 1 . 1 1 7 7 SER N N 7 119.349 119.349 115.986 3.363 19212 16 1 . 1 1 7 7 SER HA H 7 4.226 4.226 4.514 -0.288 19212 17 1 . 1 1 7 7 SER H H 7 9.584 9.584 8.684 0.900 19212 18 1 . 1 1 8 8 SER N N 8 115.557 115.557 118.370 -2.813 19212 19 1 . 1 1 8 8 SER HA H 8 5.137 5.137 4.830 0.307 19212 20 1 . 1 1 8 8 SER H H 8 7.776 7.776 7.805 -0.029 19212 21 1 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.479 0.080 19212 22 1 . 1 1 10 10 GLU N N 10 116.738 116.738 117.346 -0.608 19212 23 1 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.331 -0.037 19212 24 1 . 1 1 10 10 GLU H H 10 8.165 8.165 8.188 -0.023 19212 25 1 . 1 1 11 11 ASN N N 11 120.592 120.592 119.661 0.931 19212 26 1 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.898 -0.104 19212 27 1 . 1 1 11 11 ASN H H 11 7.175 7.175 7.636 -0.461 19212 28 1 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.494 0.210 19212 29 1 . 1 1 13 13 CYS N N 13 117.795 117.795 116.448 1.347 19212 30 1 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.460 0.188 19212 31 1 . 1 1 13 13 CYS H H 13 8.847 8.847 8.431 0.416 19212 32 1 . 1 1 14 14 CYS N N 14 112.262 112.262 117.319 -5.057 19212 33 1 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.960 0.096 19212 34 1 . 1 1 14 14 CYS H H 14 7.448 7.448 7.502 -0.054 19212 35 1 . 1 1 15 15 ASP N N 15 121.027 121.027 124.372 -3.345 19212 36 1 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.547 0.023 19212 37 1 . 1 1 15 15 ASP H H 15 8.130 8.130 8.745 -0.615 19212 38 1 . 1 1 16 16 ALA N N 16 130.920 130.920 129.459 1.461 19212 39 1 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.079 0.069 19212 40 1 . 1 1 16 16 ALA H H 16 8.915 8.915 8.621 0.294 19212 41 1 . 1 1 17 17 ALA N N 17 117.732 117.732 121.592 -3.860 19212 42 1 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.072 0.289 19212 43 1 . 1 1 17 17 ALA H H 17 8.588 8.588 8.230 0.358 19212 44 1 . 1 1 18 18 THR N N 18 105.299 105.299 109.240 -3.941 19212 45 1 . 1 1 18 18 THR HA H 18 4.445 4.445 4.323 0.122 19212 46 1 . 1 1 18 18 THR H H 18 7.660 7.660 7.806 -0.146 19212 47 1 . 1 1 19 19 CYS N N 19 119.038 119.038 118.635 0.403 19212 48 1 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.140 0.502 19212 49 1 . 1 1 19 19 CYS H H 19 8.520 8.520 8.129 0.391 19212 50 1 . 1 1 20 20 LYS N N 20 118.354 118.354 117.499 0.855 19212 51 1 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.683 0.262 19212 52 1 . 1 1 20 20 LYS H H 20 7.878 7.878 7.486 0.392 19212 53 1 . 1 1 21 21 LEU N N 21 120.405 120.405 120.924 -0.519 19212 54 1 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.442 -0.157 19212 55 1 . 1 1 21 21 LEU H H 21 9.127 9.127 8.566 0.561 19212 56 1 . 1 1 22 22 ARG N N 22 122.457 122.457 126.124 -3.667 19212 57 1 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.370 0.078 19212 58 1 . 1 1 22 22 ARG H H 22 8.403 8.403 8.177 0.226 19212 59 1 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.520 -0.131 19212 60 1 . 1 1 24 24 GLY N N 24 113.629 113.629 106.539 7.090 19212 61 1 . 1 1 24 24 GLY H H 24 8.752 8.752 8.348 0.404 19212 62 1 . 1 1 25 25 ALA N N 25 123.389 123.389 122.252 1.137 19212 63 1 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.282 0.258 19212 64 1 . 1 1 25 25 ALA H H 25 7.857 7.857 7.491 0.366 19212 65 1 . 1 1 26 26 GLN N N 26 117.396 117.396 119.940 -2.544 19212 66 1 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.063 0.050 19212 67 1 . 1 1 26 26 GLN H H 26 8.745 8.745 8.348 0.397 19212 68 1 . 1 1 27 27 CYS N N 27 113.256 113.256 113.965 -0.709 19212 69 1 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.834 -0.279 19212 70 1 . 1 1 27 27 CYS H H 27 7.721 7.721 7.363 0.358 19212 71 1 . 1 1 28 28 GLY N N 28 104.864 104.864 108.645 -3.781 19212 72 1 . 1 1 28 28 GLY H H 28 9.086 9.086 8.782 0.304 19212 73 1 . 1 1 29 29 GLU N N 29 118.034 118.034 118.024 0.010 19212 74 1 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.541 0.241 19212 75 1 . 1 1 29 29 GLU H H 29 7.762 7.762 7.633 0.129 19212 76 1 . 1 1 30 30 GLY N N 30 108.470 108.470 108.469 0.001 19212 77 1 . 1 1 30 30 GLY H H 30 8.315 8.315 8.143 0.172 19212 78 1 . 1 1 31 31 LEU N N 31 120.903 120.903 120.853 0.050 19212 79 1 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.301 0.053 19212 80 1 . 1 1 31 31 LEU H H 31 8.895 8.895 8.567 0.328 19212 81 1 . 1 1 32 32 CYS N N 32 114.873 114.873 117.264 -2.391 19212 82 1 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.625 0.483 19212 83 1 . 1 1 32 32 CYS H H 32 8.376 8.376 8.651 -0.275 19212 84 1 . 1 1 33 33 CYS N N 33 121.151 121.151 121.953 -0.802 19212 85 1 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.330 -0.039 19212 86 1 . 1 1 33 33 CYS H H 33 7.291 7.291 7.941 -0.650 19212 87 1 . 1 1 34 34 GLU N N 34 128.487 128.487 126.457 2.030 19212 88 1 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.518 0.164 19212 89 1 . 1 1 34 34 GLU H H 34 9.652 9.652 8.452 1.200 19212 90 1 . 1 1 35 35 GLN N N 35 125.441 125.441 122.667 2.774 19212 91 1 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.973 0.026 19212 92 1 . 1 1 35 35 GLN H H 35 9.373 9.373 9.094 0.279 19212 93 1 . 1 1 36 36 CYS N N 36 105.424 105.424 112.774 -7.349 19212 94 1 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.178 0.623 19212 95 1 . 1 1 36 36 CYS H H 36 8.410 8.410 8.431 -0.021 19212 96 1 . 1 1 37 37 LYS N N 37 120.965 120.965 117.891 3.074 19212 97 1 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.502 0.201 19212 98 1 . 1 1 37 37 LYS H H 37 7.939 7.939 7.472 0.467 19212 99 1 . 1 1 38 38 PHE N N 38 119.722 119.722 120.448 -0.726 19212 100 1 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.890 0.251 19212 101 1 . 1 1 38 38 PHE H H 38 8.192 8.192 8.428 -0.236 19212 102 1 . 1 1 39 39 SER N N 39 121.524 121.524 120.522 1.002 19212 103 1 . 1 1 39 39 SER HA H 39 4.274 4.274 4.384 -0.110 19212 104 1 . 1 1 39 39 SER H H 39 8.963 8.963 8.883 0.080 19212 105 1 . 1 1 40 40 ARG N N 40 121.711 121.711 119.408 2.303 19212 106 1 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.455 -0.354 19212 107 1 . 1 1 40 40 ARG H H 40 8.485 8.485 8.401 0.084 19212 108 1 . 1 1 41 41 ALA N N 41 123.576 123.576 122.362 1.214 19212 109 1 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.437 -0.713 19212 110 1 . 1 1 41 41 ALA H H 41 8.417 8.417 8.248 0.169 19212 111 1 . 1 1 42 42 GLY N N 42 110.397 110.397 107.983 2.414 19212 112 1 . 1 1 42 42 GLY H H 42 8.520 8.520 8.709 -0.189 19212 113 1 . 1 1 43 43 LYS N N 43 122.643 122.643 120.214 2.429 19212 114 1 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.535 -0.386 19212 115 1 . 1 1 43 43 LYS H H 43 7.441 7.441 7.321 0.120 19212 116 1 . 1 1 44 44 ILE N N 44 128.798 128.798 128.781 0.017 19212 117 1 . 1 1 44 44 ILE HA H 44 4.122 4.122 4.258 -0.136 19212 118 1 . 1 1 44 44 ILE H H 44 8.793 8.793 8.754 0.039 19212 119 1 . 1 1 45 45 CYS N N 45 123.700 123.700 124.450 -0.750 19212 120 1 . 1 1 45 45 CYS HA H 45 5.172 5.172 4.541 0.631 19212 121 1 . 1 1 45 45 CYS H H 45 9.325 9.325 8.790 0.535 19212 122 1 . 1 1 46 46 ARG N N 46 123.265 123.265 118.398 4.867 19212 123 1 . 1 1 46 46 ARG HA H 46 4.442 4.442 4.596 -0.154 19212 124 1 . 1 1 46 46 ARG H H 46 7.475 7.475 7.459 0.016 19212 125 1 . 1 1 47 47 ILE N N 47 127.244 127.244 120.889 6.355 19212 126 1 . 1 1 47 47 ILE HA H 47 4.254 4.254 4.302 -0.048 19212 127 1 . 1 1 47 47 ILE H H 47 8.417 8.417 8.433 -0.016 19212 128 1 . 1 1 48 48 ALA N N 48 130.660 130.660 128.812 1.848 19212 129 1 . 1 1 48 48 ALA HA H 48 4.245 4.245 4.710 -0.465 19212 130 1 . 1 1 48 48 ALA H H 48 9.322 9.322 8.353 0.969 19212 131 1 . 1 1 49 49 ARG N N 49 120.352 120.352 123.331 -2.979 19212 132 1 . 1 1 49 49 ARG HA H 49 4.407 4.407 4.408 -0.001 19212 133 1 . 1 1 49 49 ARG H H 49 8.150 8.150 8.760 -0.610 19212 134 1 . 1 1 50 50 GLY N N 50 108.819 108.819 113.133 -4.314 19212 135 1 . 1 1 50 50 GLY H H 50 7.329 7.329 8.128 -0.799 19212 136 1 . 1 1 51 51 ASP N N 51 121.337 121.337 118.506 2.831 19212 137 1 . 1 1 51 51 ASP HA H 51 4.561 4.561 4.464 0.097 19212 138 1 . 1 1 51 51 ASP H H 51 8.090 8.090 6.901 1.189 19212 139 1 . 1 1 52 52 TRP N N 52 119.227 119.227 120.498 -1.271 19212 140 1 . 1 1 52 52 TRP HA H 52 4.640 4.640 4.876 -0.236 19212 141 1 . 1 1 52 52 TRP H H 52 7.812 7.812 7.128 0.684 19212 142 1 . 1 1 53 53 ASN N N 53 116.695 116.695 119.951 -3.256 19212 143 1 . 1 1 53 53 ASN HA H 53 4.750 4.750 4.762 -0.012 19212 144 1 . 1 1 53 53 ASN H H 53 8.310 8.310 8.501 -0.191 19212 145 1 . 1 1 54 54 ASP N N 54 119.908 119.908 120.420 -0.512 19212 146 1 . 1 1 54 54 ASP HA H 54 4.819 4.819 4.708 0.111 19212 147 1 . 1 1 54 54 ASP H H 54 8.090 8.090 8.475 -0.385 19212 148 1 . 1 1 55 55 ASP N N 55 121.524 121.524 120.357 1.167 19212 149 1 . 1 1 55 55 ASP HA H 55 5.023 5.023 4.830 0.193 19212 150 1 . 1 1 55 55 ASP H H 55 8.520 8.520 8.470 0.050 19212 151 1 . 1 1 56 56 ARG N N 56 119.970 119.970 122.370 -2.400 19212 152 1 . 1 1 56 56 ARG HA H 56 5.291 5.291 4.723 0.568 19212 153 1 . 1 1 56 56 ARG H H 56 8.533 8.533 8.452 0.081 19212 154 1 . 1 1 57 57 CYS N N 57 119.286 119.286 123.264 -3.978 19212 155 1 . 1 1 57 57 CYS HA H 57 4.856 4.856 4.406 0.450 19212 156 1 . 1 1 57 57 CYS H H 57 9.222 9.222 8.872 0.350 19212 157 1 . 1 1 58 58 THR N N 58 113.194 113.194 117.690 -4.496 19212 158 1 . 1 1 58 58 THR HA H 58 4.442 4.442 4.164 0.278 19212 159 1 . 1 1 58 58 THR H H 58 10.048 10.048 8.999 1.049 19212 160 1 . 1 1 59 59 GLY N N 59 111.765 111.765 109.213 2.552 19212 161 1 . 1 1 59 59 GLY H H 59 8.458 8.458 8.119 0.339 19212 162 1 . 1 1 60 60 GLN N N 60 114.377 114.377 118.177 -3.800 19212 163 1 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.174 0.124 19212 164 1 . 1 1 60 60 GLN H H 60 7.857 7.857 8.067 -0.210 19212 165 1 . 1 1 61 61 SER N N 61 110.770 110.770 114.792 -4.022 19212 166 1 . 1 1 61 61 SER HA H 61 3.880 3.880 4.230 -0.350 19212 167 1 . 1 1 61 61 SER H H 61 6.540 6.540 7.470 -0.930 19212 168 1 . 1 1 62 62 ALA N N 62 125.565 125.565 127.556 -1.991 19212 169 1 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.270 0.165 19212 170 1 . 1 1 62 62 ALA H H 62 8.936 8.936 8.663 0.273 19212 171 1 . 1 1 63 63 ASP N N 63 117.546 117.546 116.281 1.265 19212 172 1 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.699 0.196 19212 173 1 . 1 1 63 63 ASP H H 63 8.117 8.117 7.986 0.131 19212 174 1 . 1 1 64 64 CYS N N 64 121.338 121.338 119.203 2.135 19212 175 1 . 1 1 64 64 CYS HA H 64 5.441 5.441 4.810 0.631 19212 176 1 . 1 1 64 64 CYS H H 64 8.868 8.868 8.341 0.526 19212 177 1 . 1 1 65 65 PRO HA H 65 4.361 4.361 4.572 -0.211 19212 178 1 . 1 1 66 66 ARG N N 66 119.930 119.930 120.106 -0.176 19212 179 1 . 1 1 66 66 ARG HA H 66 4.386 4.386 4.649 -0.263 19212 180 1 . 1 1 66 66 ARG H H 66 8.232 8.232 8.150 0.082 19212 181 1 . 1 1 67 67 ASN N N 67 124.642 124.642 118.634 6.008 19212 182 1 . 1 1 67 67 ASN HA H 67 4.784 4.784 4.756 0.028 19212 183 1 . 1 1 67 67 ASN H H 67 8.887 8.887 8.435 0.452 19212 184 1 . 1 1 68 68 PRO HA H 68 4.313 4.313 4.256 0.057 19212 185 1 . 1 1 69 69 TRP N N 69 118.875 118.875 117.918 0.957 19212 186 1 . 1 1 69 69 TRP HA H 69 4.554 4.554 4.627 -0.073 19212 187 1 . 1 1 69 69 TRP H H 69 7.941 7.941 7.226 0.715 19212 188 1 . 1 1 70 70 ASN N N 70 119.579 119.579 118.838 0.741 19212 189 1 . 1 1 70 70 ASN HA H 70 4.707 4.707 4.464 0.243 19212 190 1 . 1 1 70 70 ASN H H 70 7.866 7.866 7.680 0.186 19212 stop_ save_