data_18463 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18463 _Entry.PDB_ID 2LT8 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 18463 _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 PHE HA H 2 3.971 3.971 4.171 -0.200 18463 2 1 1 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.453 0.589 18463 3 1 1 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.354 0.966 18463 4 1 1 . 1 1 2 2 PHE H H 2 8.600 8.600 8.371 0.229 18463 5 1 1 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.190 -0.317 18463 6 1 1 . 1 1 3 3 GLY H H 3 8.004 8.004 8.407 -0.403 18463 7 1 1 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.203 -0.430 18463 8 1 1 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.752 9.035 18463 9 1 1 . 1 1 4 4 CYS H H 4 7.575 7.575 7.775 -0.200 18463 10 1 1 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.431 0.258 18463 11 1 1 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.788 -0.679 18463 12 1 1 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.446 2.937 18463 13 1 1 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.897 1.697 18463 14 1 1 . 1 1 6 6 GLY H H 6 8.907 8.907 8.427 0.480 18463 15 1 1 . 1 1 7 7 ASP HA H 7 5.007 5.007 5.010 -0.003 18463 16 1 1 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.675 -0.199 18463 17 1 1 . 1 1 7 7 ASP CB C 7 40.265 40.265 42.478 -2.213 18463 18 1 1 . 1 1 7 7 ASP H H 7 8.466 8.466 8.292 0.174 18463 19 1 1 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.348 -0.351 18463 20 1 1 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.178 -0.279 18463 21 1 1 . 1 1 8 8 ALA H H 8 8.560 8.560 8.785 -0.225 18463 22 1 1 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.058 0.252 18463 23 1 1 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.730 -1.251 18463 24 1 1 . 1 1 9 9 TYR H H 9 8.432 8.432 8.863 -0.431 18463 25 1 1 . 1 1 10 10 GLN HA H 10 3.944 3.944 3.871 0.073 18463 26 1 1 . 1 1 10 10 GLN CA C 10 58.635 58.635 59.033 -0.399 18463 27 1 1 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.412 -0.053 18463 28 1 1 . 1 1 10 10 GLN H H 10 7.861 7.861 8.782 -0.921 18463 29 1 1 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.258 0.629 18463 30 1 1 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.648 -3.090 18463 31 1 1 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.399 10.475 18463 32 1 1 . 1 1 11 11 CYS H H 11 7.341 7.341 7.963 -0.622 18463 33 1 1 . 1 1 12 12 SER N N 12 117.382 117.382 116.569 0.813 18463 34 1 1 . 1 1 12 12 SER HA H 12 3.692 3.692 3.910 -0.218 18463 35 1 1 . 1 1 12 12 SER CB C 12 62.945 62.945 62.666 0.279 18463 36 1 1 . 1 1 12 12 SER H H 12 8.513 8.513 8.190 0.323 18463 37 1 1 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.732 0.098 18463 38 1 1 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.407 -0.307 18463 39 1 1 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.475 -0.175 18463 40 1 1 . 1 1 13 13 GLU H H 13 8.199 8.199 8.038 0.161 18463 41 1 1 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.116 0.151 18463 42 1 1 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.321 -0.686 18463 43 1 1 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.337 -2.262 18463 44 1 1 . 1 1 14 14 HIS H H 14 8.250 8.250 8.099 0.151 18463 45 1 1 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.705 0.039 18463 46 1 1 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.514 -2.607 18463 47 1 1 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.619 13.740 18463 48 1 1 . 1 1 15 15 CYS H H 15 8.419 8.419 7.821 0.598 18463 49 1 1 . 1 1 16 16 ARG HA H 16 3.595 3.595 4.033 -0.438 18463 50 1 1 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.873 1.316 18463 51 1 1 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.880 0.428 18463 52 1 1 . 1 1 16 16 ARG H H 16 8.081 8.081 8.234 -0.153 18463 53 1 1 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.092 -0.013 18463 54 1 1 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.372 -0.212 18463 55 1 1 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.212 -0.440 18463 56 1 1 . 1 1 17 17 ALA H H 17 7.763 7.763 7.850 -0.087 18463 57 1 1 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.005 0.002 18463 58 1 1 . 1 1 18 18 LEU CB C 18 42.373 42.373 41.979 0.394 18463 59 1 1 . 1 1 18 18 LEU H H 18 7.265 7.265 6.992 0.273 18463 60 1 1 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.323 0.751 18463 61 1 1 . 1 1 20 20 GLY H H 20 9.107 9.107 8.714 0.393 18463 62 1 1 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.816 -0.285 18463 63 1 1 . 1 1 21 21 GLY H H 21 8.671 8.671 8.094 0.577 18463 64 1 1 . 1 1 22 22 ARG N N 22 119.872 119.872 121.742 -1.870 18463 65 1 1 . 1 1 22 22 ARG HA H 22 3.993 3.993 3.881 0.112 18463 66 1 1 . 1 1 22 22 ARG CA C 22 56.615 56.615 56.009 0.606 18463 67 1 1 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.726 0.998 18463 68 1 1 . 1 1 22 22 ARG H H 22 6.965 6.965 7.539 -0.574 18463 69 1 1 . 1 1 23 23 THR HA H 23 4.277 4.277 4.337 -0.060 18463 70 1 1 . 1 1 23 23 THR CB C 23 70.344 70.344 69.682 0.662 18463 71 1 1 . 1 1 23 23 THR H H 23 8.837 8.837 8.128 0.709 18463 72 1 1 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.198 -0.041 18463 73 1 1 . 1 1 24 24 GLY H H 24 7.354 7.354 7.284 0.070 18463 74 1 1 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.116 1.685 18463 75 1 1 . 1 1 25 25 GLY H H 25 8.054 8.054 7.666 0.388 18463 76 1 1 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.947 -0.173 18463 77 1 1 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.390 -2.669 18463 78 1 1 . 1 1 26 26 TYR H H 26 8.932 8.932 8.929 0.003 18463 79 1 1 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.514 -0.326 18463 80 1 1 . 1 1 27 27 CYS CA C 27 52.852 52.852 58.127 -5.275 18463 81 1 1 . 1 1 27 27 CYS CB C 27 37.300 37.300 28.175 9.125 18463 82 1 1 . 1 1 27 27 CYS H H 27 8.753 8.753 8.795 -0.042 18463 83 1 1 . 1 1 28 28 ALA HA H 28 4.654 4.654 5.001 -0.347 18463 84 1 1 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.518 0.085 18463 85 1 1 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.161 -1.403 18463 86 1 1 . 1 1 28 28 ALA H H 28 9.122 9.122 9.061 0.061 18463 87 1 1 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.262 0.446 18463 88 1 1 . 1 1 29 29 GLY H H 29 8.548 8.548 8.284 0.264 18463 89 1 1 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.017 0.331 18463 90 1 1 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.033 -0.193 18463 91 1 1 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.447 0.353 18463 92 1 1 . 1 1 31 31 TRP CB C 31 27.706 27.706 28.965 -1.258 18463 93 1 1 . 1 1 31 31 TRP H H 31 9.002 9.002 8.000 1.002 18463 94 1 1 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.770 -0.888 18463 95 1 1 . 1 1 32 32 TYR CA C 32 58.010 58.010 55.303 2.707 18463 96 1 1 . 1 1 32 32 TYR CB C 32 35.410 35.410 40.036 -4.626 18463 97 1 1 . 1 1 32 32 TYR H H 32 6.367 6.367 6.722 -0.355 18463 98 1 1 . 1 1 33 33 LEU HA H 33 4.450 4.450 4.009 0.441 18463 99 1 1 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.149 -1.461 18463 100 1 1 . 1 1 33 33 LEU CB C 33 42.778 42.778 42.018 0.760 18463 101 1 1 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.398 0.413 18463 102 1 1 . 1 1 34 34 GLY H H 34 7.632 7.632 8.328 -0.696 18463 103 1 1 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.983 -1.278 18463 104 1 1 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.735 -3.971 18463 105 1 1 . 1 1 35 35 HIS H H 35 7.334 7.334 8.448 -1.114 18463 106 1 1 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.594 -0.720 18463 107 1 1 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.486 0.586 18463 108 1 1 . 1 1 37 37 THR HA H 37 4.356 4.356 4.454 -0.098 18463 109 1 1 . 1 1 37 37 THR CB C 37 69.525 69.525 69.286 0.239 18463 110 1 1 . 1 1 37 37 THR H H 37 8.185 8.185 8.214 -0.029 18463 111 1 1 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.919 0.107 18463 112 1 1 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.792 -1.742 18463 113 1 1 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.245 6.676 18463 114 1 1 . 1 1 38 38 CYS H H 38 9.046 9.046 9.161 -0.115 18463 115 1 1 . 1 1 39 39 THR HA H 39 4.277 4.277 4.634 -0.357 18463 116 1 1 . 1 1 39 39 THR CB C 39 70.474 70.474 70.424 0.050 18463 117 1 1 . 1 1 39 39 THR H H 39 9.272 9.272 9.048 0.224 18463 118 1 1 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.464 1.003 18463 119 1 1 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.701 -5.636 18463 120 1 1 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.888 6.198 18463 121 1 1 . 1 1 40 40 CYS H H 40 8.658 8.658 8.804 -0.146 18463 122 1 1 . 1 1 41 41 SER HA H 41 4.771 4.771 4.975 -0.204 18463 123 1 1 . 1 1 41 41 SER CB C 41 66.158 66.158 64.498 1.660 18463 124 1 1 . 1 1 41 41 SER H H 41 8.680 8.680 8.503 0.177 18463 125 1 2 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.241 -0.270 18463 126 1 2 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.679 0.363 18463 127 1 2 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.705 0.615 18463 128 1 2 . 1 1 2 2 PHE H H 2 8.600 8.600 8.465 0.135 18463 129 1 2 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.158 -0.285 18463 130 1 2 . 1 1 3 3 GLY H H 3 8.004 8.004 8.365 -0.361 18463 131 1 2 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.196 -0.423 18463 132 1 2 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.460 9.327 18463 133 1 2 . 1 1 4 4 CYS H H 4 7.575 7.575 7.707 -0.132 18463 134 1 2 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.469 0.220 18463 135 1 2 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.633 -0.524 18463 136 1 2 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.551 2.832 18463 137 1 2 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.829 1.765 18463 138 1 2 . 1 1 6 6 GLY H H 6 8.907 8.907 8.462 0.445 18463 139 1 2 . 1 1 7 7 ASP HA H 7 5.007 5.007 4.995 0.012 18463 140 1 2 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.601 -0.125 18463 141 1 2 . 1 1 7 7 ASP CB C 7 40.265 40.265 42.565 -2.300 18463 142 1 2 . 1 1 7 7 ASP H H 7 8.466 8.466 8.296 0.170 18463 143 1 2 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.408 -0.411 18463 144 1 2 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.308 -0.409 18463 145 1 2 . 1 1 8 8 ALA H H 8 8.560 8.560 8.735 -0.175 18463 146 1 2 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.049 0.261 18463 147 1 2 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.828 -1.349 18463 148 1 2 . 1 1 9 9 TYR H H 9 8.432 8.432 8.772 -0.340 18463 149 1 2 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.258 -0.314 18463 150 1 2 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.946 -0.311 18463 151 1 2 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.499 -0.140 18463 152 1 2 . 1 1 10 10 GLN H H 10 7.861 7.861 9.069 -1.208 18463 153 1 2 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.309 0.578 18463 154 1 2 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.500 -2.942 18463 155 1 2 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.411 10.463 18463 156 1 2 . 1 1 11 11 CYS H H 11 7.341 7.341 8.256 -0.915 18463 157 1 2 . 1 1 12 12 SER N N 12 117.382 117.382 116.685 0.697 18463 158 1 2 . 1 1 12 12 SER HA H 12 3.692 3.692 3.931 -0.239 18463 159 1 2 . 1 1 12 12 SER CB C 12 62.945 62.945 62.670 0.274 18463 160 1 2 . 1 1 12 12 SER H H 12 8.513 8.513 8.286 0.227 18463 161 1 2 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.727 0.103 18463 162 1 2 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.383 -0.283 18463 163 1 2 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.476 -0.176 18463 164 1 2 . 1 1 13 13 GLU H H 13 8.199 8.199 8.048 0.151 18463 165 1 2 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.023 0.244 18463 166 1 2 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.161 -0.526 18463 167 1 2 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.174 -2.099 18463 168 1 2 . 1 1 14 14 HIS H H 14 8.250 8.250 8.007 0.243 18463 169 1 2 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.748 -0.004 18463 170 1 2 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.628 -2.720 18463 171 1 2 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.657 13.702 18463 172 1 2 . 1 1 15 15 CYS H H 15 8.419 8.419 7.869 0.550 18463 173 1 2 . 1 1 16 16 ARG HA H 16 3.595 3.595 4.043 -0.448 18463 174 1 2 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.862 1.327 18463 175 1 2 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.881 0.426 18463 176 1 2 . 1 1 16 16 ARG H H 16 8.081 8.081 8.321 -0.240 18463 177 1 2 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.099 -0.020 18463 178 1 2 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.392 -0.232 18463 179 1 2 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.223 -0.451 18463 180 1 2 . 1 1 17 17 ALA H H 17 7.763 7.763 7.781 -0.018 18463 181 1 2 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.007 0.000 18463 182 1 2 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.065 0.308 18463 183 1 2 . 1 1 18 18 LEU H H 18 7.265 7.265 7.094 0.171 18463 184 1 2 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.345 0.729 18463 185 1 2 . 1 1 20 20 GLY H H 20 9.107 9.107 8.692 0.415 18463 186 1 2 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.767 -0.236 18463 187 1 2 . 1 1 21 21 GLY H H 21 8.671 8.671 8.119 0.552 18463 188 1 2 . 1 1 22 22 ARG N N 22 119.872 119.872 121.790 -1.918 18463 189 1 2 . 1 1 22 22 ARG HA H 22 3.993 3.993 3.892 0.101 18463 190 1 2 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.795 0.820 18463 191 1 2 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.698 1.026 18463 192 1 2 . 1 1 22 22 ARG H H 22 6.965 6.965 7.460 -0.495 18463 193 1 2 . 1 1 23 23 THR HA H 23 4.277 4.277 4.292 -0.015 18463 194 1 2 . 1 1 23 23 THR CB C 23 70.344 70.344 69.673 0.671 18463 195 1 2 . 1 1 23 23 THR H H 23 8.837 8.837 8.243 0.594 18463 196 1 2 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.181 -0.024 18463 197 1 2 . 1 1 24 24 GLY H H 24 7.354 7.354 7.188 0.166 18463 198 1 2 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.096 1.704 18463 199 1 2 . 1 1 25 25 GLY H H 25 8.054 8.054 7.747 0.307 18463 200 1 2 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.952 -0.178 18463 201 1 2 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.143 -2.422 18463 202 1 2 . 1 1 26 26 TYR H H 26 8.932 8.932 8.973 -0.041 18463 203 1 2 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.645 -0.457 18463 204 1 2 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.837 -4.985 18463 205 1 2 . 1 1 27 27 CYS CB C 27 37.300 37.300 29.275 8.025 18463 206 1 2 . 1 1 27 27 CYS H H 27 8.753 8.753 8.663 0.090 18463 207 1 2 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.795 -0.141 18463 208 1 2 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.324 0.279 18463 209 1 2 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.117 -1.359 18463 210 1 2 . 1 1 28 28 ALA H H 28 9.122 9.122 9.149 -0.027 18463 211 1 2 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.431 0.277 18463 212 1 2 . 1 1 29 29 GLY H H 29 8.548 8.548 8.348 0.200 18463 213 1 2 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.140 0.208 18463 214 1 2 . 1 1 30 30 PRO CB C 30 31.840 31.840 31.978 -0.138 18463 215 1 2 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.360 0.440 18463 216 1 2 . 1 1 31 31 TRP CB C 31 27.706 27.706 28.763 -1.057 18463 217 1 2 . 1 1 31 31 TRP H H 31 9.002 9.002 8.124 0.878 18463 218 1 2 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.762 -0.880 18463 219 1 2 . 1 1 32 32 TYR CA C 32 58.010 58.010 55.276 2.734 18463 220 1 2 . 1 1 32 32 TYR CB C 32 35.410 35.410 40.019 -4.609 18463 221 1 2 . 1 1 32 32 TYR H H 32 6.367 6.367 6.773 -0.406 18463 222 1 2 . 1 1 33 33 LEU HA H 33 4.450 4.450 4.017 0.433 18463 223 1 2 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.140 -1.452 18463 224 1 2 . 1 1 33 33 LEU CB C 33 42.778 42.778 42.087 0.692 18463 225 1 2 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.306 0.505 18463 226 1 2 . 1 1 34 34 GLY H H 34 7.632 7.632 8.335 -0.703 18463 227 1 2 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.978 -1.273 18463 228 1 2 . 1 1 35 35 HIS CB C 35 25.764 25.764 30.014 -4.250 18463 229 1 2 . 1 1 35 35 HIS H H 35 7.334 7.334 8.364 -1.030 18463 230 1 2 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.566 -0.692 18463 231 1 2 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.582 0.490 18463 232 1 2 . 1 1 37 37 THR HA H 37 4.356 4.356 4.447 -0.091 18463 233 1 2 . 1 1 37 37 THR CB C 37 69.525 69.525 69.290 0.235 18463 234 1 2 . 1 1 37 37 THR H H 37 8.185 8.185 8.255 -0.070 18463 235 1 2 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.877 0.149 18463 236 1 2 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.960 -1.910 18463 237 1 2 . 1 1 38 38 CYS CB C 38 34.921 34.921 27.610 7.311 18463 238 1 2 . 1 1 38 38 CYS H H 38 9.046 9.046 9.136 -0.090 18463 239 1 2 . 1 1 39 39 THR HA H 39 4.277 4.277 4.698 -0.421 18463 240 1 2 . 1 1 39 39 THR CB C 39 70.474 70.474 71.450 -0.976 18463 241 1 2 . 1 1 39 39 THR H H 39 9.272 9.272 9.224 0.048 18463 242 1 2 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.609 0.858 18463 243 1 2 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.902 -5.837 18463 244 1 2 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.725 6.361 18463 245 1 2 . 1 1 40 40 CYS H H 40 8.658 8.658 8.926 -0.268 18463 246 1 2 . 1 1 41 41 SER HA H 41 4.771 4.771 4.988 -0.217 18463 247 1 2 . 1 1 41 41 SER CB C 41 66.158 66.158 64.333 1.825 18463 248 1 2 . 1 1 41 41 SER H H 41 8.680 8.680 8.502 0.178 18463 249 1 3 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.013 -0.042 18463 250 1 3 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.044 0.998 18463 251 1 3 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.412 0.908 18463 252 1 3 . 1 1 2 2 PHE H H 2 8.600 8.600 8.093 0.507 18463 253 1 3 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.169 -0.296 18463 254 1 3 . 1 1 3 3 GLY H H 3 8.004 8.004 8.277 -0.273 18463 255 1 3 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.071 -0.298 18463 256 1 3 . 1 1 4 4 CYS CB C 4 37.787 37.787 27.898 9.889 18463 257 1 3 . 1 1 4 4 CYS H H 4 7.575 7.575 7.724 -0.149 18463 258 1 3 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.397 0.292 18463 259 1 3 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.950 -0.841 18463 260 1 3 . 1 1 5 5 PRO CB C 5 35.383 35.383 31.508 3.875 18463 261 1 3 . 1 1 6 6 GLY CA C 6 46.594 46.594 45.377 1.217 18463 262 1 3 . 1 1 6 6 GLY H H 6 8.907 8.907 8.260 0.647 18463 263 1 3 . 1 1 7 7 ASP HA H 7 5.007 5.007 4.953 0.054 18463 264 1 3 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.561 -0.085 18463 265 1 3 . 1 1 7 7 ASP CB C 7 40.265 40.265 40.221 0.043 18463 266 1 3 . 1 1 7 7 ASP H H 7 8.466 8.466 8.071 0.395 18463 267 1 3 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.171 -0.174 18463 268 1 3 . 1 1 8 8 ALA CB C 8 18.899 18.899 18.981 -0.082 18463 269 1 3 . 1 1 8 8 ALA H H 8 8.560 8.560 8.151 0.409 18463 270 1 3 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.075 0.235 18463 271 1 3 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.556 -1.077 18463 272 1 3 . 1 1 9 9 TYR H H 9 8.432 8.432 8.157 0.275 18463 273 1 3 . 1 1 10 10 GLN HA H 10 3.944 3.944 3.869 0.075 18463 274 1 3 . 1 1 10 10 GLN CA C 10 58.635 58.635 59.051 -0.416 18463 275 1 3 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.514 -0.155 18463 276 1 3 . 1 1 10 10 GLN H H 10 7.861 7.861 8.741 -0.880 18463 277 1 3 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.263 0.624 18463 278 1 3 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.835 -3.277 18463 279 1 3 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.420 10.454 18463 280 1 3 . 1 1 11 11 CYS H H 11 7.341 7.341 7.845 -0.504 18463 281 1 3 . 1 1 12 12 SER N N 12 117.382 117.382 116.561 0.821 18463 282 1 3 . 1 1 12 12 SER HA H 12 3.692 3.692 3.929 -0.237 18463 283 1 3 . 1 1 12 12 SER CB C 12 62.945 62.945 62.664 0.281 18463 284 1 3 . 1 1 12 12 SER H H 12 8.513 8.513 8.075 0.438 18463 285 1 3 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.725 0.105 18463 286 1 3 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.308 -0.208 18463 287 1 3 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.439 -0.140 18463 288 1 3 . 1 1 13 13 GLU H H 13 8.199 8.199 8.008 0.191 18463 289 1 3 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.152 0.115 18463 290 1 3 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.396 -0.761 18463 291 1 3 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.477 -2.402 18463 292 1 3 . 1 1 14 14 HIS H H 14 8.250 8.250 8.251 -0.001 18463 293 1 3 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.670 0.074 18463 294 1 3 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.569 -2.661 18463 295 1 3 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.624 13.735 18463 296 1 3 . 1 1 15 15 CYS H H 15 8.419 8.419 7.919 0.500 18463 297 1 3 . 1 1 16 16 ARG HA H 16 3.595 3.595 3.865 -0.270 18463 298 1 3 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.905 1.284 18463 299 1 3 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.844 0.464 18463 300 1 3 . 1 1 16 16 ARG H H 16 8.081 8.081 8.229 -0.148 18463 301 1 3 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.101 -0.022 18463 302 1 3 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.310 -0.150 18463 303 1 3 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.243 -0.471 18463 304 1 3 . 1 1 17 17 ALA H H 17 7.763 7.763 7.872 -0.109 18463 305 1 3 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.022 -0.015 18463 306 1 3 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.020 0.353 18463 307 1 3 . 1 1 18 18 LEU H H 18 7.265 7.265 7.111 0.154 18463 308 1 3 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.310 0.764 18463 309 1 3 . 1 1 20 20 GLY H H 20 9.107 9.107 8.716 0.391 18463 310 1 3 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.773 -0.242 18463 311 1 3 . 1 1 21 21 GLY H H 21 8.671 8.671 8.072 0.599 18463 312 1 3 . 1 1 22 22 ARG N N 22 119.872 119.872 121.755 -1.883 18463 313 1 3 . 1 1 22 22 ARG HA H 22 3.993 3.993 3.782 0.211 18463 314 1 3 . 1 1 22 22 ARG CA C 22 56.615 56.615 56.081 0.534 18463 315 1 3 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.706 1.018 18463 316 1 3 . 1 1 22 22 ARG H H 22 6.965 6.965 7.551 -0.586 18463 317 1 3 . 1 1 23 23 THR HA H 23 4.277 4.277 4.277 -0.000 18463 318 1 3 . 1 1 23 23 THR CB C 23 70.344 70.344 69.594 0.750 18463 319 1 3 . 1 1 23 23 THR H H 23 8.837 8.837 8.149 0.688 18463 320 1 3 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.199 -0.042 18463 321 1 3 . 1 1 24 24 GLY H H 24 7.354 7.354 7.290 0.064 18463 322 1 3 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.099 1.702 18463 323 1 3 . 1 1 25 25 GLY H H 25 8.054 8.054 7.699 0.355 18463 324 1 3 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.965 -0.191 18463 325 1 3 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.515 -2.794 18463 326 1 3 . 1 1 26 26 TYR H H 26 8.932 8.932 8.967 -0.035 18463 327 1 3 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.608 -0.420 18463 328 1 3 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.958 -5.106 18463 329 1 3 . 1 1 27 27 CYS CB C 27 37.300 37.300 28.664 8.636 18463 330 1 3 . 1 1 27 27 CYS H H 27 8.753 8.753 8.723 0.030 18463 331 1 3 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.915 -0.261 18463 332 1 3 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.465 0.139 18463 333 1 3 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.050 -1.292 18463 334 1 3 . 1 1 28 28 ALA H H 28 9.122 9.122 9.133 -0.011 18463 335 1 3 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.430 0.278 18463 336 1 3 . 1 1 29 29 GLY H H 29 8.548 8.548 8.308 0.240 18463 337 1 3 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.061 0.287 18463 338 1 3 . 1 1 30 30 PRO CB C 30 31.840 31.840 31.791 0.049 18463 339 1 3 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.439 0.361 18463 340 1 3 . 1 1 31 31 TRP CB C 31 27.706 27.706 28.887 -1.181 18463 341 1 3 . 1 1 31 31 TRP H H 31 9.002 9.002 7.704 1.298 18463 342 1 3 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.707 -0.825 18463 343 1 3 . 1 1 32 32 TYR CA C 32 58.010 58.010 56.170 1.840 18463 344 1 3 . 1 1 32 32 TYR CB C 32 35.410 35.410 39.374 -3.964 18463 345 1 3 . 1 1 32 32 TYR H H 32 6.367 6.367 7.040 -0.673 18463 346 1 3 . 1 1 33 33 LEU HA H 33 4.450 4.450 3.997 0.453 18463 347 1 3 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.072 -1.384 18463 348 1 3 . 1 1 33 33 LEU CB C 33 42.778 42.778 42.135 0.643 18463 349 1 3 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.418 0.392 18463 350 1 3 . 1 1 34 34 GLY H H 34 7.632 7.632 8.355 -0.723 18463 351 1 3 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.957 -1.252 18463 352 1 3 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.821 -4.057 18463 353 1 3 . 1 1 35 35 HIS H H 35 7.334 7.334 8.267 -0.933 18463 354 1 3 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.356 -0.482 18463 355 1 3 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.712 0.360 18463 356 1 3 . 1 1 37 37 THR HA H 37 4.356 4.356 4.511 -0.155 18463 357 1 3 . 1 1 37 37 THR CB C 37 69.525 69.525 69.410 0.115 18463 358 1 3 . 1 1 37 37 THR H H 37 8.185 8.185 8.307 -0.122 18463 359 1 3 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.948 0.078 18463 360 1 3 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.852 -1.802 18463 361 1 3 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.236 6.685 18463 362 1 3 . 1 1 38 38 CYS H H 38 9.046 9.046 9.185 -0.139 18463 363 1 3 . 1 1 39 39 THR HA H 39 4.277 4.277 4.636 -0.359 18463 364 1 3 . 1 1 39 39 THR CB C 39 70.474 70.474 70.522 -0.049 18463 365 1 3 . 1 1 39 39 THR H H 39 9.272 9.272 9.077 0.195 18463 366 1 3 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.561 0.906 18463 367 1 3 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.735 -5.670 18463 368 1 3 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.705 6.381 18463 369 1 3 . 1 1 40 40 CYS H H 40 8.658 8.658 8.777 -0.119 18463 370 1 3 . 1 1 41 41 SER HA H 41 4.771 4.771 4.968 -0.197 18463 371 1 3 . 1 1 41 41 SER CB C 41 66.158 66.158 64.354 1.804 18463 372 1 3 . 1 1 41 41 SER H H 41 8.680 8.680 8.438 0.242 18463 373 1 4 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.205 -0.234 18463 374 1 4 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.424 0.618 18463 375 1 4 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.272 1.048 18463 376 1 4 . 1 1 2 2 PHE H H 2 8.600 8.600 8.389 0.211 18463 377 1 4 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.191 -0.317 18463 378 1 4 . 1 1 3 3 GLY H H 3 8.004 8.004 8.388 -0.384 18463 379 1 4 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.196 -0.423 18463 380 1 4 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.586 9.201 18463 381 1 4 . 1 1 4 4 CYS H H 4 7.575 7.575 7.750 -0.175 18463 382 1 4 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.456 0.233 18463 383 1 4 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.705 -0.596 18463 384 1 4 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.519 2.864 18463 385 1 4 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.846 1.748 18463 386 1 4 . 1 1 6 6 GLY H H 6 8.907 8.907 8.457 0.450 18463 387 1 4 . 1 1 7 7 ASP HA H 7 5.007 5.007 5.006 0.001 18463 388 1 4 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.589 -0.112 18463 389 1 4 . 1 1 7 7 ASP CB C 7 40.265 40.265 42.394 -2.129 18463 390 1 4 . 1 1 7 7 ASP H H 7 8.466 8.466 8.278 0.188 18463 391 1 4 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.387 -0.390 18463 392 1 4 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.221 -0.322 18463 393 1 4 . 1 1 8 8 ALA H H 8 8.560 8.560 8.785 -0.225 18463 394 1 4 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.030 0.280 18463 395 1 4 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.830 -1.351 18463 396 1 4 . 1 1 9 9 TYR H H 9 8.432 8.432 8.875 -0.443 18463 397 1 4 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.190 -0.246 18463 398 1 4 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.989 -0.354 18463 399 1 4 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.474 -0.115 18463 400 1 4 . 1 1 10 10 GLN H H 10 7.861 7.861 8.979 -1.118 18463 401 1 4 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.300 0.587 18463 402 1 4 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.691 -3.133 18463 403 1 4 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.395 10.479 18463 404 1 4 . 1 1 11 11 CYS H H 11 7.341 7.341 8.134 -0.793 18463 405 1 4 . 1 1 12 12 SER N N 12 117.382 117.382 116.602 0.780 18463 406 1 4 . 1 1 12 12 SER HA H 12 3.692 3.692 3.914 -0.222 18463 407 1 4 . 1 1 12 12 SER CB C 12 62.945 62.945 62.659 0.286 18463 408 1 4 . 1 1 12 12 SER H H 12 8.513 8.513 8.252 0.261 18463 409 1 4 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.739 0.091 18463 410 1 4 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.369 -0.269 18463 411 1 4 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.508 -0.208 18463 412 1 4 . 1 1 13 13 GLU H H 13 8.199 8.199 8.067 0.132 18463 413 1 4 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.131 0.136 18463 414 1 4 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.315 -0.680 18463 415 1 4 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.305 -2.230 18463 416 1 4 . 1 1 14 14 HIS H H 14 8.250 8.250 8.180 0.070 18463 417 1 4 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.582 0.162 18463 418 1 4 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.481 -2.573 18463 419 1 4 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.567 13.792 18463 420 1 4 . 1 1 15 15 CYS H H 15 8.419 8.419 7.863 0.556 18463 421 1 4 . 1 1 16 16 ARG HA H 16 3.595 3.595 4.039 -0.444 18463 422 1 4 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.825 1.364 18463 423 1 4 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.884 0.424 18463 424 1 4 . 1 1 16 16 ARG H H 16 8.081 8.081 8.305 -0.224 18463 425 1 4 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.096 -0.017 18463 426 1 4 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.364 -0.204 18463 427 1 4 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.219 -0.447 18463 428 1 4 . 1 1 17 17 ALA H H 17 7.763 7.763 7.876 -0.113 18463 429 1 4 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.027 -0.020 18463 430 1 4 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.044 0.329 18463 431 1 4 . 1 1 18 18 LEU H H 18 7.265 7.265 7.045 0.220 18463 432 1 4 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.377 0.697 18463 433 1 4 . 1 1 20 20 GLY H H 20 9.107 9.107 8.702 0.405 18463 434 1 4 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.798 -0.267 18463 435 1 4 . 1 1 21 21 GLY H H 21 8.671 8.671 8.104 0.567 18463 436 1 4 . 1 1 22 22 ARG N N 22 119.872 119.872 121.551 -1.679 18463 437 1 4 . 1 1 22 22 ARG HA H 22 3.993 3.993 3.875 0.118 18463 438 1 4 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.975 0.640 18463 439 1 4 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.804 0.920 18463 440 1 4 . 1 1 22 22 ARG H H 22 6.965 6.965 7.541 -0.576 18463 441 1 4 . 1 1 23 23 THR HA H 23 4.277 4.277 4.395 -0.118 18463 442 1 4 . 1 1 23 23 THR CB C 23 70.344 70.344 69.859 0.485 18463 443 1 4 . 1 1 23 23 THR H H 23 8.837 8.837 8.263 0.574 18463 444 1 4 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.170 -0.013 18463 445 1 4 . 1 1 24 24 GLY H H 24 7.354 7.354 7.236 0.118 18463 446 1 4 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.112 1.689 18463 447 1 4 . 1 1 25 25 GLY H H 25 8.054 8.054 7.678 0.376 18463 448 1 4 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.945 -0.171 18463 449 1 4 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.399 -2.678 18463 450 1 4 . 1 1 26 26 TYR H H 26 8.932 8.932 8.956 -0.024 18463 451 1 4 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.593 -0.405 18463 452 1 4 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.958 -5.106 18463 453 1 4 . 1 1 27 27 CYS CB C 27 37.300 37.300 28.779 8.521 18463 454 1 4 . 1 1 27 27 CYS H H 27 8.753 8.753 8.757 -0.004 18463 455 1 4 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.905 -0.251 18463 456 1 4 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.518 0.085 18463 457 1 4 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.089 -1.331 18463 458 1 4 . 1 1 28 28 ALA H H 28 9.122 9.122 9.156 -0.034 18463 459 1 4 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.401 0.307 18463 460 1 4 . 1 1 29 29 GLY H H 29 8.548 8.548 8.317 0.231 18463 461 1 4 . 1 1 30 30 PRO HA H 30 4.348 4.348 3.963 0.385 18463 462 1 4 . 1 1 30 30 PRO CB C 30 31.840 31.840 31.995 -0.155 18463 463 1 4 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.522 0.278 18463 464 1 4 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.081 -1.375 18463 465 1 4 . 1 1 31 31 TRP H H 31 9.002 9.002 7.563 1.439 18463 466 1 4 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.691 -0.809 18463 467 1 4 . 1 1 32 32 TYR CA C 32 58.010 58.010 56.166 1.845 18463 468 1 4 . 1 1 32 32 TYR CB C 32 35.410 35.410 39.330 -3.920 18463 469 1 4 . 1 1 32 32 TYR H H 32 6.367 6.367 7.019 -0.652 18463 470 1 4 . 1 1 33 33 LEU HA H 33 4.450 4.450 3.996 0.454 18463 471 1 4 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.122 -1.434 18463 472 1 4 . 1 1 33 33 LEU CB C 33 42.778 42.778 42.057 0.721 18463 473 1 4 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.407 0.403 18463 474 1 4 . 1 1 34 34 GLY H H 34 7.632 7.632 8.331 -0.699 18463 475 1 4 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.964 -1.259 18463 476 1 4 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.889 -4.125 18463 477 1 4 . 1 1 35 35 HIS H H 35 7.334 7.334 8.338 -1.004 18463 478 1 4 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.530 -0.656 18463 479 1 4 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.593 0.478 18463 480 1 4 . 1 1 37 37 THR HA H 37 4.356 4.356 4.485 -0.129 18463 481 1 4 . 1 1 37 37 THR CB C 37 69.525 69.525 69.280 0.245 18463 482 1 4 . 1 1 37 37 THR H H 37 8.185 8.185 8.256 -0.071 18463 483 1 4 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.895 0.131 18463 484 1 4 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.837 -1.787 18463 485 1 4 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.332 6.589 18463 486 1 4 . 1 1 38 38 CYS H H 38 9.046 9.046 9.163 -0.117 18463 487 1 4 . 1 1 39 39 THR HA H 39 4.277 4.277 4.645 -0.368 18463 488 1 4 . 1 1 39 39 THR CB C 39 70.474 70.474 70.431 0.043 18463 489 1 4 . 1 1 39 39 THR H H 39 9.272 9.272 9.089 0.183 18463 490 1 4 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.554 0.913 18463 491 1 4 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.673 -5.608 18463 492 1 4 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.854 6.232 18463 493 1 4 . 1 1 40 40 CYS H H 40 8.658 8.658 8.811 -0.153 18463 494 1 4 . 1 1 41 41 SER HA H 41 4.771 4.771 4.990 -0.219 18463 495 1 4 . 1 1 41 41 SER CB C 41 66.158 66.158 64.432 1.726 18463 496 1 4 . 1 1 41 41 SER H H 41 8.680 8.680 8.523 0.157 18463 497 1 5 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.084 -0.113 18463 498 1 5 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.026 1.016 18463 499 1 5 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.232 1.088 18463 500 1 5 . 1 1 2 2 PHE H H 2 8.600 8.600 8.120 0.480 18463 501 1 5 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.313 -0.440 18463 502 1 5 . 1 1 3 3 GLY H H 3 8.004 8.004 8.312 -0.308 18463 503 1 5 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.217 -0.444 18463 504 1 5 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.803 8.984 18463 505 1 5 . 1 1 4 4 CYS H H 4 7.575 7.575 7.804 -0.229 18463 506 1 5 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.458 0.231 18463 507 1 5 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.723 -0.614 18463 508 1 5 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.536 2.847 18463 509 1 5 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.928 1.666 18463 510 1 5 . 1 1 6 6 GLY H H 6 8.907 8.907 8.441 0.466 18463 511 1 5 . 1 1 7 7 ASP HA H 7 5.007 5.007 5.027 -0.020 18463 512 1 5 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.634 -0.158 18463 513 1 5 . 1 1 7 7 ASP CB C 7 40.265 40.265 42.437 -2.171 18463 514 1 5 . 1 1 7 7 ASP H H 7 8.466 8.466 8.329 0.137 18463 515 1 5 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.281 -0.284 18463 516 1 5 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.077 -0.178 18463 517 1 5 . 1 1 8 8 ALA H H 8 8.560 8.560 8.832 -0.272 18463 518 1 5 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.065 0.245 18463 519 1 5 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.686 -1.207 18463 520 1 5 . 1 1 9 9 TYR H H 9 8.432 8.432 8.786 -0.354 18463 521 1 5 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.011 -0.067 18463 522 1 5 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.984 -0.350 18463 523 1 5 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.449 -0.090 18463 524 1 5 . 1 1 10 10 GLN H H 10 7.861 7.861 8.817 -0.956 18463 525 1 5 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.337 0.550 18463 526 1 5 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.660 -3.102 18463 527 1 5 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.439 10.435 18463 528 1 5 . 1 1 11 11 CYS H H 11 7.341 7.341 7.917 -0.576 18463 529 1 5 . 1 1 12 12 SER N N 12 117.382 117.382 116.692 0.690 18463 530 1 5 . 1 1 12 12 SER HA H 12 3.692 3.692 3.929 -0.237 18463 531 1 5 . 1 1 12 12 SER CB C 12 62.945 62.945 62.697 0.248 18463 532 1 5 . 1 1 12 12 SER H H 12 8.513 8.513 8.257 0.256 18463 533 1 5 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.732 0.098 18463 534 1 5 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.461 -0.361 18463 535 1 5 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.480 -0.180 18463 536 1 5 . 1 1 13 13 GLU H H 13 8.199 8.199 8.007 0.192 18463 537 1 5 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.135 0.132 18463 538 1 5 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.290 -0.655 18463 539 1 5 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.385 -2.310 18463 540 1 5 . 1 1 14 14 HIS H H 14 8.250 8.250 8.102 0.148 18463 541 1 5 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.611 0.134 18463 542 1 5 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.522 -2.614 18463 543 1 5 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.598 13.761 18463 544 1 5 . 1 1 15 15 CYS H H 15 8.419 8.419 7.933 0.486 18463 545 1 5 . 1 1 16 16 ARG HA H 16 3.595 3.595 3.896 -0.301 18463 546 1 5 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.865 1.324 18463 547 1 5 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.882 0.426 18463 548 1 5 . 1 1 16 16 ARG H H 16 8.081 8.081 8.212 -0.131 18463 549 1 5 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.101 -0.022 18463 550 1 5 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.330 -0.170 18463 551 1 5 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.233 -0.461 18463 552 1 5 . 1 1 17 17 ALA H H 17 7.763 7.763 7.841 -0.078 18463 553 1 5 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.032 -0.025 18463 554 1 5 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.057 0.316 18463 555 1 5 . 1 1 18 18 LEU H H 18 7.265 7.265 7.095 0.170 18463 556 1 5 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.256 0.818 18463 557 1 5 . 1 1 20 20 GLY H H 20 9.107 9.107 8.701 0.406 18463 558 1 5 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.813 -0.282 18463 559 1 5 . 1 1 21 21 GLY H H 21 8.671 8.671 8.099 0.572 18463 560 1 5 . 1 1 22 22 ARG N N 22 119.872 119.872 121.592 -1.720 18463 561 1 5 . 1 1 22 22 ARG HA H 22 3.993 3.993 3.947 0.046 18463 562 1 5 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.915 0.700 18463 563 1 5 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.816 0.908 18463 564 1 5 . 1 1 22 22 ARG H H 22 6.965 6.965 7.513 -0.548 18463 565 1 5 . 1 1 23 23 THR HA H 23 4.277 4.277 4.328 -0.051 18463 566 1 5 . 1 1 23 23 THR CB C 23 70.344 70.344 69.689 0.655 18463 567 1 5 . 1 1 23 23 THR H H 23 8.837 8.837 8.187 0.650 18463 568 1 5 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.185 -0.028 18463 569 1 5 . 1 1 24 24 GLY H H 24 7.354 7.354 7.250 0.103 18463 570 1 5 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.076 1.725 18463 571 1 5 . 1 1 25 25 GLY H H 25 8.054 8.054 7.752 0.302 18463 572 1 5 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.961 -0.187 18463 573 1 5 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.242 -2.522 18463 574 1 5 . 1 1 26 26 TYR H H 26 8.932 8.932 8.921 0.011 18463 575 1 5 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.637 -0.449 18463 576 1 5 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.822 -4.970 18463 577 1 5 . 1 1 27 27 CYS CB C 27 37.300 37.300 29.272 8.028 18463 578 1 5 . 1 1 27 27 CYS H H 27 8.753 8.753 8.664 0.089 18463 579 1 5 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.923 -0.269 18463 580 1 5 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.354 0.249 18463 581 1 5 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.140 -1.382 18463 582 1 5 . 1 1 28 28 ALA H H 28 9.122 9.122 9.177 -0.055 18463 583 1 5 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.380 0.327 18463 584 1 5 . 1 1 29 29 GLY H H 29 8.548 8.548 8.311 0.237 18463 585 1 5 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.120 0.228 18463 586 1 5 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.102 -0.262 18463 587 1 5 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.539 0.261 18463 588 1 5 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.265 -1.559 18463 589 1 5 . 1 1 31 31 TRP H H 31 9.002 9.002 7.927 1.075 18463 590 1 5 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.677 -0.795 18463 591 1 5 . 1 1 32 32 TYR CA C 32 58.010 58.010 56.158 1.852 18463 592 1 5 . 1 1 32 32 TYR CB C 32 35.410 35.410 39.300 -3.890 18463 593 1 5 . 1 1 32 32 TYR H H 32 6.367 6.367 7.073 -0.706 18463 594 1 5 . 1 1 33 33 LEU HA H 33 4.450 4.450 4.002 0.448 18463 595 1 5 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.148 -1.460 18463 596 1 5 . 1 1 33 33 LEU CB C 33 42.778 42.778 42.108 0.670 18463 597 1 5 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.373 0.437 18463 598 1 5 . 1 1 34 34 GLY H H 34 7.632 7.632 8.330 -0.698 18463 599 1 5 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.968 -1.263 18463 600 1 5 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.898 -4.133 18463 601 1 5 . 1 1 35 35 HIS H H 35 7.334 7.334 8.350 -1.016 18463 602 1 5 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.582 -0.708 18463 603 1 5 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.514 0.558 18463 604 1 5 . 1 1 37 37 THR HA H 37 4.356 4.356 4.486 -0.130 18463 605 1 5 . 1 1 37 37 THR CB C 37 69.525 69.525 69.313 0.212 18463 606 1 5 . 1 1 37 37 THR H H 37 8.185 8.185 8.285 -0.100 18463 607 1 5 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.967 0.059 18463 608 1 5 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.757 -1.707 18463 609 1 5 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.172 6.749 18463 610 1 5 . 1 1 38 38 CYS H H 38 9.046 9.046 9.184 -0.138 18463 611 1 5 . 1 1 39 39 THR HA H 39 4.277 4.277 4.632 -0.355 18463 612 1 5 . 1 1 39 39 THR CB C 39 70.474 70.474 70.317 0.157 18463 613 1 5 . 1 1 39 39 THR H H 39 9.272 9.272 9.084 0.188 18463 614 1 5 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.536 0.931 18463 615 1 5 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.640 -5.575 18463 616 1 5 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.740 6.346 18463 617 1 5 . 1 1 40 40 CYS H H 40 8.658 8.658 8.778 -0.120 18463 618 1 5 . 1 1 41 41 SER HA H 41 4.771 4.771 4.925 -0.154 18463 619 1 5 . 1 1 41 41 SER CB C 41 66.158 66.158 64.202 1.956 18463 620 1 5 . 1 1 41 41 SER H H 41 8.680 8.680 8.347 0.333 18463 621 1 6 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.005 -0.034 18463 622 1 6 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.132 0.910 18463 623 1 6 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.516 0.804 18463 624 1 6 . 1 1 2 2 PHE H H 2 8.600 8.600 8.122 0.478 18463 625 1 6 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.236 -0.363 18463 626 1 6 . 1 1 3 3 GLY H H 3 8.004 8.004 8.279 -0.275 18463 627 1 6 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.177 -0.404 18463 628 1 6 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.469 9.318 18463 629 1 6 . 1 1 4 4 CYS H H 4 7.575 7.575 7.780 -0.205 18463 630 1 6 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.433 0.256 18463 631 1 6 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.690 -0.581 18463 632 1 6 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.245 3.138 18463 633 1 6 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.992 1.602 18463 634 1 6 . 1 1 6 6 GLY H H 6 8.907 8.907 8.137 0.770 18463 635 1 6 . 1 1 7 7 ASP HA H 7 5.007 5.007 5.001 0.006 18463 636 1 6 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.398 0.078 18463 637 1 6 . 1 1 7 7 ASP CB C 7 40.265 40.265 40.463 -0.198 18463 638 1 6 . 1 1 7 7 ASP H H 7 8.466 8.466 8.216 0.250 18463 639 1 6 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.184 -0.187 18463 640 1 6 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.041 -0.142 18463 641 1 6 . 1 1 8 8 ALA H H 8 8.560 8.560 8.357 0.203 18463 642 1 6 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.059 0.251 18463 643 1 6 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.510 -1.031 18463 644 1 6 . 1 1 9 9 TYR H H 9 8.432 8.432 8.199 0.233 18463 645 1 6 . 1 1 10 10 GLN HA H 10 3.944 3.944 3.820 0.124 18463 646 1 6 . 1 1 10 10 GLN CA C 10 58.635 58.635 59.009 -0.374 18463 647 1 6 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.459 -0.100 18463 648 1 6 . 1 1 10 10 GLN H H 10 7.861 7.861 8.690 -0.829 18463 649 1 6 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.315 0.572 18463 650 1 6 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.771 -3.213 18463 651 1 6 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.423 10.451 18463 652 1 6 . 1 1 11 11 CYS H H 11 7.341 7.341 7.761 -0.420 18463 653 1 6 . 1 1 12 12 SER N N 12 117.382 117.382 116.502 0.880 18463 654 1 6 . 1 1 12 12 SER HA H 12 3.692 3.692 3.928 -0.236 18463 655 1 6 . 1 1 12 12 SER CB C 12 62.945 62.945 62.636 0.309 18463 656 1 6 . 1 1 12 12 SER H H 12 8.513 8.513 7.984 0.529 18463 657 1 6 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.733 0.097 18463 658 1 6 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.389 -0.289 18463 659 1 6 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.466 -0.166 18463 660 1 6 . 1 1 13 13 GLU H H 13 8.199 8.199 7.991 0.208 18463 661 1 6 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.130 0.137 18463 662 1 6 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.333 -0.698 18463 663 1 6 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.377 -2.302 18463 664 1 6 . 1 1 14 14 HIS H H 14 8.250 8.250 8.183 0.067 18463 665 1 6 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.632 0.112 18463 666 1 6 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.206 -2.298 18463 667 1 6 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.408 13.951 18463 668 1 6 . 1 1 15 15 CYS H H 15 8.419 8.419 7.872 0.547 18463 669 1 6 . 1 1 16 16 ARG HA H 16 3.595 3.595 3.913 -0.318 18463 670 1 6 . 1 1 16 16 ARG CA C 16 60.189 60.189 59.006 1.183 18463 671 1 6 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.826 0.482 18463 672 1 6 . 1 1 16 16 ARG H H 16 8.081 8.081 8.322 -0.241 18463 673 1 6 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.101 -0.022 18463 674 1 6 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.349 -0.189 18463 675 1 6 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.236 -0.464 18463 676 1 6 . 1 1 17 17 ALA H H 17 7.763 7.763 7.978 -0.215 18463 677 1 6 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.044 -0.037 18463 678 1 6 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.104 0.269 18463 679 1 6 . 1 1 18 18 LEU H H 18 7.265 7.265 7.132 0.133 18463 680 1 6 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.156 0.918 18463 681 1 6 . 1 1 20 20 GLY H H 20 9.107 9.107 8.692 0.415 18463 682 1 6 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.832 -0.301 18463 683 1 6 . 1 1 21 21 GLY H H 21 8.671 8.671 8.120 0.551 18463 684 1 6 . 1 1 22 22 ARG N N 22 119.872 119.872 121.776 -1.904 18463 685 1 6 . 1 1 22 22 ARG HA H 22 3.993 3.993 4.062 -0.069 18463 686 1 6 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.719 0.896 18463 687 1 6 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.817 0.907 18463 688 1 6 . 1 1 22 22 ARG H H 22 6.965 6.965 7.519 -0.554 18463 689 1 6 . 1 1 23 23 THR HA H 23 4.277 4.277 4.182 0.095 18463 690 1 6 . 1 1 23 23 THR CB C 23 70.344 70.344 69.500 0.844 18463 691 1 6 . 1 1 23 23 THR H H 23 8.837 8.837 8.165 0.672 18463 692 1 6 . 1 1 24 24 GLY CA C 24 45.157 45.157 44.972 0.185 18463 693 1 6 . 1 1 24 24 GLY H H 24 7.354 7.354 7.202 0.151 18463 694 1 6 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.002 1.799 18463 695 1 6 . 1 1 25 25 GLY H H 25 8.054 8.054 7.267 0.787 18463 696 1 6 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.935 -0.161 18463 697 1 6 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.856 -3.135 18463 698 1 6 . 1 1 26 26 TYR H H 26 8.932 8.932 8.994 -0.062 18463 699 1 6 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.490 -0.302 18463 700 1 6 . 1 1 27 27 CYS CA C 27 52.852 52.852 58.101 -5.249 18463 701 1 6 . 1 1 27 27 CYS CB C 27 37.300 37.300 27.780 9.520 18463 702 1 6 . 1 1 27 27 CYS H H 27 8.753 8.753 8.800 -0.047 18463 703 1 6 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.746 -0.092 18463 704 1 6 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.180 0.423 18463 705 1 6 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.198 -1.440 18463 706 1 6 . 1 1 28 28 ALA H H 28 9.122 9.122 9.103 0.019 18463 707 1 6 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.419 0.289 18463 708 1 6 . 1 1 29 29 GLY H H 29 8.548 8.548 8.289 0.259 18463 709 1 6 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.041 0.307 18463 710 1 6 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.007 -0.167 18463 711 1 6 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.481 0.319 18463 712 1 6 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.091 -1.385 18463 713 1 6 . 1 1 31 31 TRP H H 31 9.002 9.002 8.071 0.931 18463 714 1 6 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.806 -0.924 18463 715 1 6 . 1 1 32 32 TYR CA C 32 58.010 58.010 55.355 2.655 18463 716 1 6 . 1 1 32 32 TYR CB C 32 35.410 35.410 40.131 -4.721 18463 717 1 6 . 1 1 32 32 TYR H H 32 6.367 6.367 6.772 -0.405 18463 718 1 6 . 1 1 33 33 LEU HA H 33 4.450 4.450 3.996 0.454 18463 719 1 6 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.178 -1.490 18463 720 1 6 . 1 1 33 33 LEU CB C 33 42.778 42.778 42.000 0.778 18463 721 1 6 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.234 0.576 18463 722 1 6 . 1 1 34 34 GLY H H 34 7.632 7.632 8.298 -0.666 18463 723 1 6 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.967 -1.262 18463 724 1 6 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.910 -4.146 18463 725 1 6 . 1 1 35 35 HIS H H 35 7.334 7.334 8.327 -0.993 18463 726 1 6 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.548 -0.674 18463 727 1 6 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.567 0.505 18463 728 1 6 . 1 1 37 37 THR HA H 37 4.356 4.356 4.431 -0.075 18463 729 1 6 . 1 1 37 37 THR CB C 37 69.525 69.525 69.142 0.383 18463 730 1 6 . 1 1 37 37 THR H H 37 8.185 8.185 8.143 0.042 18463 731 1 6 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.845 0.181 18463 732 1 6 . 1 1 38 38 CYS CA C 38 57.050 57.050 59.030 -1.980 18463 733 1 6 . 1 1 38 38 CYS CB C 38 34.921 34.921 27.396 7.524 18463 734 1 6 . 1 1 38 38 CYS H H 38 9.046 9.046 9.165 -0.119 18463 735 1 6 . 1 1 39 39 THR HA H 39 4.277 4.277 4.699 -0.422 18463 736 1 6 . 1 1 39 39 THR CB C 39 70.474 70.474 71.408 -0.934 18463 737 1 6 . 1 1 39 39 THR H H 39 9.272 9.272 9.195 0.077 18463 738 1 6 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.590 0.877 18463 739 1 6 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.970 -5.905 18463 740 1 6 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.324 6.762 18463 741 1 6 . 1 1 40 40 CYS H H 40 8.658 8.658 8.927 -0.269 18463 742 1 6 . 1 1 41 41 SER HA H 41 4.771 4.771 4.960 -0.189 18463 743 1 6 . 1 1 41 41 SER CB C 41 66.158 66.158 64.414 1.744 18463 744 1 6 . 1 1 41 41 SER H H 41 8.680 8.680 8.514 0.166 18463 745 1 7 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.113 -0.142 18463 746 1 7 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.131 0.911 18463 747 1 7 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.360 0.960 18463 748 1 7 . 1 1 2 2 PHE H H 2 8.600 8.600 8.113 0.487 18463 749 1 7 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.194 -0.321 18463 750 1 7 . 1 1 3 3 GLY H H 3 8.004 8.004 8.311 -0.307 18463 751 1 7 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.196 -0.423 18463 752 1 7 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.712 9.075 18463 753 1 7 . 1 1 4 4 CYS H H 4 7.575 7.575 7.757 -0.182 18463 754 1 7 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.446 0.243 18463 755 1 7 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.669 -0.560 18463 756 1 7 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.615 2.768 18463 757 1 7 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.873 1.721 18463 758 1 7 . 1 1 6 6 GLY H H 6 8.907 8.907 8.486 0.421 18463 759 1 7 . 1 1 7 7 ASP HA H 7 5.007 5.007 5.010 -0.003 18463 760 1 7 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.725 -0.249 18463 761 1 7 . 1 1 7 7 ASP CB C 7 40.265 40.265 42.457 -2.192 18463 762 1 7 . 1 1 7 7 ASP H H 7 8.466 8.466 8.335 0.131 18463 763 1 7 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.319 -0.322 18463 764 1 7 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.114 -0.215 18463 765 1 7 . 1 1 8 8 ALA H H 8 8.560 8.560 8.782 -0.222 18463 766 1 7 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.063 0.247 18463 767 1 7 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.664 -1.185 18463 768 1 7 . 1 1 9 9 TYR H H 9 8.432 8.432 8.822 -0.390 18463 769 1 7 . 1 1 10 10 GLN HA H 10 3.944 3.944 3.816 0.128 18463 770 1 7 . 1 1 10 10 GLN CA C 10 58.635 58.635 59.025 -0.390 18463 771 1 7 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.370 -0.011 18463 772 1 7 . 1 1 10 10 GLN H H 10 7.861 7.861 8.804 -0.943 18463 773 1 7 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.260 0.627 18463 774 1 7 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.659 -3.101 18463 775 1 7 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.390 10.484 18463 776 1 7 . 1 1 11 11 CYS H H 11 7.341 7.341 7.935 -0.594 18463 777 1 7 . 1 1 12 12 SER N N 12 117.382 117.382 116.635 0.747 18463 778 1 7 . 1 1 12 12 SER HA H 12 3.692 3.692 3.912 -0.220 18463 779 1 7 . 1 1 12 12 SER CB C 12 62.945 62.945 62.674 0.271 18463 780 1 7 . 1 1 12 12 SER H H 12 8.513 8.513 8.123 0.390 18463 781 1 7 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.725 0.105 18463 782 1 7 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.419 -0.319 18463 783 1 7 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.453 -0.153 18463 784 1 7 . 1 1 13 13 GLU H H 13 8.199 8.199 8.044 0.155 18463 785 1 7 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.114 0.153 18463 786 1 7 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.333 -0.698 18463 787 1 7 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.351 -2.276 18463 788 1 7 . 1 1 14 14 HIS H H 14 8.250 8.250 8.198 0.052 18463 789 1 7 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.632 0.112 18463 790 1 7 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.527 -2.619 18463 791 1 7 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.598 13.761 18463 792 1 7 . 1 1 15 15 CYS H H 15 8.419 8.419 7.849 0.570 18463 793 1 7 . 1 1 16 16 ARG HA H 16 3.595 3.595 4.025 -0.430 18463 794 1 7 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.865 1.324 18463 795 1 7 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.892 0.416 18463 796 1 7 . 1 1 16 16 ARG H H 16 8.081 8.081 8.205 -0.124 18463 797 1 7 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.102 -0.023 18463 798 1 7 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.329 -0.169 18463 799 1 7 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.230 -0.458 18463 800 1 7 . 1 1 17 17 ALA H H 17 7.763 7.763 7.905 -0.142 18463 801 1 7 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.019 -0.012 18463 802 1 7 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.030 0.343 18463 803 1 7 . 1 1 18 18 LEU H H 18 7.265 7.265 7.100 0.165 18463 804 1 7 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.363 0.711 18463 805 1 7 . 1 1 20 20 GLY H H 20 9.107 9.107 8.715 0.392 18463 806 1 7 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.816 -0.285 18463 807 1 7 . 1 1 21 21 GLY H H 21 8.671 8.671 8.108 0.563 18463 808 1 7 . 1 1 22 22 ARG N N 22 119.872 119.872 121.640 -1.768 18463 809 1 7 . 1 1 22 22 ARG HA H 22 3.993 3.993 4.051 -0.058 18463 810 1 7 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.959 0.657 18463 811 1 7 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.865 0.859 18463 812 1 7 . 1 1 22 22 ARG H H 22 6.965 6.965 7.599 -0.634 18463 813 1 7 . 1 1 23 23 THR HA H 23 4.277 4.277 4.388 -0.111 18463 814 1 7 . 1 1 23 23 THR CB C 23 70.344 70.344 69.759 0.585 18463 815 1 7 . 1 1 23 23 THR H H 23 8.837 8.837 8.180 0.657 18463 816 1 7 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.285 -0.128 18463 817 1 7 . 1 1 24 24 GLY H H 24 7.354 7.354 7.330 0.024 18463 818 1 7 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.140 1.661 18463 819 1 7 . 1 1 25 25 GLY H H 25 8.054 8.054 7.224 0.830 18463 820 1 7 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.962 -0.188 18463 821 1 7 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.600 -2.879 18463 822 1 7 . 1 1 26 26 TYR H H 26 8.932 8.932 8.980 -0.048 18463 823 1 7 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.617 -0.429 18463 824 1 7 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.959 -5.107 18463 825 1 7 . 1 1 27 27 CYS CB C 27 37.300 37.300 28.965 8.335 18463 826 1 7 . 1 1 27 27 CYS H H 27 8.753 8.753 8.736 0.017 18463 827 1 7 . 1 1 28 28 ALA HA H 28 4.654 4.654 5.052 -0.398 18463 828 1 7 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.572 0.032 18463 829 1 7 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.110 -1.352 18463 830 1 7 . 1 1 28 28 ALA H H 28 9.122 9.122 9.082 0.040 18463 831 1 7 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.439 0.269 18463 832 1 7 . 1 1 29 29 GLY H H 29 8.548 8.548 8.272 0.276 18463 833 1 7 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.010 0.338 18463 834 1 7 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.002 -0.162 18463 835 1 7 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.497 0.303 18463 836 1 7 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.070 -1.363 18463 837 1 7 . 1 1 31 31 TRP H H 31 9.002 9.002 7.631 1.371 18463 838 1 7 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.683 -0.801 18463 839 1 7 . 1 1 32 32 TYR CA C 32 58.010 58.010 56.123 1.887 18463 840 1 7 . 1 1 32 32 TYR CB C 32 35.410 35.410 39.261 -3.852 18463 841 1 7 . 1 1 32 32 TYR H H 32 6.367 6.367 6.996 -0.629 18463 842 1 7 . 1 1 33 33 LEU HA H 33 4.450 4.450 4.011 0.439 18463 843 1 7 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.134 -1.446 18463 844 1 7 . 1 1 33 33 LEU CB C 33 42.778 42.778 42.057 0.721 18463 845 1 7 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.541 0.269 18463 846 1 7 . 1 1 34 34 GLY H H 34 7.632 7.632 8.350 -0.718 18463 847 1 7 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.979 -1.274 18463 848 1 7 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.722 -3.958 18463 849 1 7 . 1 1 35 35 HIS H H 35 7.334 7.334 8.436 -1.102 18463 850 1 7 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.527 -0.652 18463 851 1 7 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.608 0.464 18463 852 1 7 . 1 1 37 37 THR HA H 37 4.356 4.356 4.480 -0.124 18463 853 1 7 . 1 1 37 37 THR CB C 37 69.525 69.525 69.260 0.266 18463 854 1 7 . 1 1 37 37 THR H H 37 8.185 8.185 8.304 -0.119 18463 855 1 7 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.890 0.136 18463 856 1 7 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.889 -1.839 18463 857 1 7 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.432 6.489 18463 858 1 7 . 1 1 38 38 CYS H H 38 9.046 9.046 9.150 -0.104 18463 859 1 7 . 1 1 39 39 THR HA H 39 4.277 4.277 4.639 -0.362 18463 860 1 7 . 1 1 39 39 THR CB C 39 70.474 70.474 70.570 -0.096 18463 861 1 7 . 1 1 39 39 THR H H 39 9.272 9.272 9.045 0.227 18463 862 1 7 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.467 1.000 18463 863 1 7 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.688 -5.623 18463 864 1 7 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.892 6.194 18463 865 1 7 . 1 1 40 40 CYS H H 40 8.658 8.658 8.807 -0.149 18463 866 1 7 . 1 1 41 41 SER HA H 41 4.771 4.771 4.967 -0.196 18463 867 1 7 . 1 1 41 41 SER CB C 41 66.158 66.158 64.460 1.698 18463 868 1 7 . 1 1 41 41 SER H H 41 8.680 8.680 8.466 0.214 18463 869 1 8 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.106 -0.135 18463 870 1 8 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.206 0.836 18463 871 1 8 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.523 0.797 18463 872 1 8 . 1 1 2 2 PHE H H 2 8.600 8.600 8.090 0.510 18463 873 1 8 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.141 -0.268 18463 874 1 8 . 1 1 3 3 GLY H H 3 8.004 8.004 8.300 -0.296 18463 875 1 8 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.128 -0.355 18463 876 1 8 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.096 9.691 18463 877 1 8 . 1 1 4 4 CYS H H 4 7.575 7.575 7.724 -0.149 18463 878 1 8 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.402 0.287 18463 879 1 8 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.988 -0.879 18463 880 1 8 . 1 1 5 5 PRO CB C 5 35.383 35.383 31.569 3.814 18463 881 1 8 . 1 1 6 6 GLY CA C 6 46.594 46.594 45.370 1.224 18463 882 1 8 . 1 1 6 6 GLY H H 6 8.907 8.907 8.391 0.516 18463 883 1 8 . 1 1 7 7 ASP HA H 7 5.007 5.007 4.999 0.008 18463 884 1 8 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.410 0.067 18463 885 1 8 . 1 1 7 7 ASP CB C 7 40.265 40.265 40.794 -0.529 18463 886 1 8 . 1 1 7 7 ASP H H 7 8.466 8.466 8.215 0.251 18463 887 1 8 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.172 -0.175 18463 888 1 8 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.032 -0.133 18463 889 1 8 . 1 1 8 8 ALA H H 8 8.560 8.560 8.619 -0.059 18463 890 1 8 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.075 0.235 18463 891 1 8 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.624 -1.145 18463 892 1 8 . 1 1 9 9 TYR H H 9 8.432 8.432 8.622 -0.190 18463 893 1 8 . 1 1 10 10 GLN HA H 10 3.944 3.944 3.966 -0.022 18463 894 1 8 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.835 -0.200 18463 895 1 8 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.429 -0.070 18463 896 1 8 . 1 1 10 10 GLN H H 10 7.861 7.861 8.365 -0.504 18463 897 1 8 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.268 0.619 18463 898 1 8 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.684 -3.126 18463 899 1 8 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.470 10.405 18463 900 1 8 . 1 1 11 11 CYS H H 11 7.341 7.341 7.718 -0.377 18463 901 1 8 . 1 1 12 12 SER N N 12 117.382 117.382 116.668 0.714 18463 902 1 8 . 1 1 12 12 SER HA H 12 3.692 3.692 3.898 -0.206 18463 903 1 8 . 1 1 12 12 SER CB C 12 62.945 62.945 62.612 0.333 18463 904 1 8 . 1 1 12 12 SER H H 12 8.513 8.513 8.051 0.462 18463 905 1 8 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.735 0.095 18463 906 1 8 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.401 -0.302 18463 907 1 8 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.441 -0.141 18463 908 1 8 . 1 1 13 13 GLU H H 13 8.199 8.199 7.922 0.277 18463 909 1 8 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.085 0.182 18463 910 1 8 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.275 -0.640 18463 911 1 8 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.328 -2.253 18463 912 1 8 . 1 1 14 14 HIS H H 14 8.250 8.250 8.052 0.198 18463 913 1 8 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.739 0.005 18463 914 1 8 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.699 -2.791 18463 915 1 8 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.638 13.721 18463 916 1 8 . 1 1 15 15 CYS H H 15 8.419 8.419 8.048 0.371 18463 917 1 8 . 1 1 16 16 ARG HA H 16 3.595 3.595 4.041 -0.446 18463 918 1 8 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.881 1.308 18463 919 1 8 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.893 0.415 18463 920 1 8 . 1 1 16 16 ARG H H 16 8.081 8.081 8.273 -0.192 18463 921 1 8 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.100 -0.021 18463 922 1 8 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.373 -0.213 18463 923 1 8 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.222 -0.450 18463 924 1 8 . 1 1 17 17 ALA H H 17 7.763 7.763 7.806 -0.043 18463 925 1 8 . 1 1 18 18 LEU HA H 18 4.007 4.007 3.976 0.031 18463 926 1 8 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.010 0.363 18463 927 1 8 . 1 1 18 18 LEU H H 18 7.265 7.265 7.144 0.121 18463 928 1 8 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.316 0.759 18463 929 1 8 . 1 1 20 20 GLY H H 20 9.107 9.107 8.711 0.396 18463 930 1 8 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.817 -0.286 18463 931 1 8 . 1 1 21 21 GLY H H 21 8.671 8.671 8.106 0.565 18463 932 1 8 . 1 1 22 22 ARG N N 22 119.872 119.872 121.618 -1.746 18463 933 1 8 . 1 1 22 22 ARG HA H 22 3.993 3.993 4.016 -0.023 18463 934 1 8 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.837 0.778 18463 935 1 8 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.855 0.870 18463 936 1 8 . 1 1 22 22 ARG H H 22 6.965 6.965 7.547 -0.582 18463 937 1 8 . 1 1 23 23 THR HA H 23 4.277 4.277 4.384 -0.107 18463 938 1 8 . 1 1 23 23 THR CB C 23 70.344 70.344 69.721 0.623 18463 939 1 8 . 1 1 23 23 THR H H 23 8.837 8.837 8.277 0.560 18463 940 1 8 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.341 -0.184 18463 941 1 8 . 1 1 24 24 GLY H H 24 7.354 7.354 7.480 -0.126 18463 942 1 8 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.257 1.544 18463 943 1 8 . 1 1 25 25 GLY H H 25 8.054 8.054 7.163 0.891 18463 944 1 8 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.972 -0.198 18463 945 1 8 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.521 -2.800 18463 946 1 8 . 1 1 26 26 TYR H H 26 8.932 8.932 9.005 -0.073 18463 947 1 8 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.715 -0.527 18463 948 1 8 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.789 -4.937 18463 949 1 8 . 1 1 27 27 CYS CB C 27 37.300 37.300 29.966 7.334 18463 950 1 8 . 1 1 27 27 CYS H H 27 8.753 8.753 8.677 0.076 18463 951 1 8 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.803 -0.149 18463 952 1 8 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.785 -0.181 18463 953 1 8 . 1 1 28 28 ALA CB C 28 20.758 20.758 21.800 -1.042 18463 954 1 8 . 1 1 28 28 ALA H H 28 9.122 9.122 9.092 0.030 18463 955 1 8 . 1 1 29 29 GLY CA C 29 44.708 44.708 43.986 0.722 18463 956 1 8 . 1 1 29 29 GLY H H 29 8.548 8.548 8.317 0.231 18463 957 1 8 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.207 0.141 18463 958 1 8 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.004 -0.164 18463 959 1 8 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.450 0.350 18463 960 1 8 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.120 -1.415 18463 961 1 8 . 1 1 31 31 TRP H H 31 9.002 9.002 8.008 0.994 18463 962 1 8 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.684 -0.802 18463 963 1 8 . 1 1 32 32 TYR CA C 32 58.010 58.010 56.164 1.846 18463 964 1 8 . 1 1 32 32 TYR CB C 32 35.410 35.410 39.358 -3.948 18463 965 1 8 . 1 1 32 32 TYR H H 32 6.367 6.367 7.072 -0.705 18463 966 1 8 . 1 1 33 33 LEU HA H 33 4.450 4.450 4.002 0.448 18463 967 1 8 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.095 -1.407 18463 968 1 8 . 1 1 33 33 LEU CB C 33 42.778 42.778 42.100 0.678 18463 969 1 8 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.396 0.414 18463 970 1 8 . 1 1 34 34 GLY H H 34 7.632 7.632 8.358 -0.726 18463 971 1 8 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.976 -1.271 18463 972 1 8 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.824 -4.060 18463 973 1 8 . 1 1 35 35 HIS H H 35 7.334 7.334 8.356 -1.022 18463 974 1 8 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.552 -0.678 18463 975 1 8 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.497 0.575 18463 976 1 8 . 1 1 37 37 THR HA H 37 4.356 4.356 4.407 -0.051 18463 977 1 8 . 1 1 37 37 THR CB C 37 69.525 69.525 69.312 0.213 18463 978 1 8 . 1 1 37 37 THR H H 37 8.185 8.185 8.096 0.089 18463 979 1 8 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.817 0.209 18463 980 1 8 . 1 1 38 38 CYS CA C 38 57.050 57.050 59.083 -2.033 18463 981 1 8 . 1 1 38 38 CYS CB C 38 34.921 34.921 27.594 7.327 18463 982 1 8 . 1 1 38 38 CYS H H 38 9.046 9.046 9.158 -0.112 18463 983 1 8 . 1 1 39 39 THR HA H 39 4.277 4.277 4.695 -0.418 18463 984 1 8 . 1 1 39 39 THR CB C 39 70.474 70.474 71.108 -0.634 18463 985 1 8 . 1 1 39 39 THR H H 39 9.272 9.272 9.270 0.002 18463 986 1 8 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.603 0.864 18463 987 1 8 . 1 1 40 40 CYS CA C 40 52.065 52.065 58.120 -6.055 18463 988 1 8 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.589 6.497 18463 989 1 8 . 1 1 40 40 CYS H H 40 8.658 8.658 8.865 -0.207 18463 990 1 8 . 1 1 41 41 SER HA H 41 4.771 4.771 4.924 -0.153 18463 991 1 8 . 1 1 41 41 SER CB C 41 66.158 66.158 64.838 1.320 18463 992 1 8 . 1 1 41 41 SER H H 41 8.680 8.680 8.616 0.064 18463 993 1 9 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.011 -0.040 18463 994 1 9 . 1 1 2 2 PHE CA C 2 59.042 59.042 57.980 1.062 18463 995 1 9 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.491 0.829 18463 996 1 9 . 1 1 2 2 PHE H H 2 8.600 8.600 8.107 0.493 18463 997 1 9 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.206 -0.333 18463 998 1 9 . 1 1 3 3 GLY H H 3 8.004 8.004 8.256 -0.252 18463 999 1 9 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.113 -0.340 18463 1000 1 9 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.093 9.694 18463 1001 1 9 . 1 1 4 4 CYS H H 4 7.575 7.575 7.729 -0.154 18463 1002 1 9 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.375 0.314 18463 1003 1 9 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.986 -0.877 18463 1004 1 9 . 1 1 5 5 PRO CB C 5 35.383 35.383 31.555 3.828 18463 1005 1 9 . 1 1 6 6 GLY CA C 6 46.594 46.594 45.324 1.270 18463 1006 1 9 . 1 1 6 6 GLY H H 6 8.907 8.907 8.457 0.450 18463 1007 1 9 . 1 1 7 7 ASP HA H 7 5.007 5.007 4.990 0.017 18463 1008 1 9 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.435 0.041 18463 1009 1 9 . 1 1 7 7 ASP CB C 7 40.265 40.265 40.395 -0.130 18463 1010 1 9 . 1 1 7 7 ASP H H 7 8.466 8.466 8.171 0.295 18463 1011 1 9 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.188 -0.191 18463 1012 1 9 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.018 -0.119 18463 1013 1 9 . 1 1 8 8 ALA H H 8 8.560 8.560 8.306 0.254 18463 1014 1 9 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.031 0.279 18463 1015 1 9 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.617 -1.139 18463 1016 1 9 . 1 1 9 9 TYR H H 9 8.432 8.432 8.185 0.247 18463 1017 1 9 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.154 -0.210 18463 1018 1 9 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.995 -0.360 18463 1019 1 9 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.547 -0.188 18463 1020 1 9 . 1 1 10 10 GLN H H 10 7.861 7.861 8.740 -0.879 18463 1021 1 9 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.326 0.561 18463 1022 1 9 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.759 -3.201 18463 1023 1 9 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.438 10.437 18463 1024 1 9 . 1 1 11 11 CYS H H 11 7.341 7.341 7.812 -0.471 18463 1025 1 9 . 1 1 12 12 SER N N 12 117.382 117.382 116.654 0.728 18463 1026 1 9 . 1 1 12 12 SER HA H 12 3.692 3.692 3.920 -0.228 18463 1027 1 9 . 1 1 12 12 SER CB C 12 62.945 62.945 62.609 0.336 18463 1028 1 9 . 1 1 12 12 SER H H 12 8.513 8.513 8.149 0.364 18463 1029 1 9 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.763 0.067 18463 1030 1 9 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.361 -0.261 18463 1031 1 9 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.523 -0.223 18463 1032 1 9 . 1 1 13 13 GLU H H 13 8.199 8.199 8.104 0.095 18463 1033 1 9 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.184 0.083 18463 1034 1 9 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.452 -0.817 18463 1035 1 9 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.560 -2.485 18463 1036 1 9 . 1 1 14 14 HIS H H 14 8.250 8.250 8.279 -0.029 18463 1037 1 9 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.765 -0.021 18463 1038 1 9 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.750 -2.842 18463 1039 1 9 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.645 13.714 18463 1040 1 9 . 1 1 15 15 CYS H H 15 8.419 8.419 8.066 0.353 18463 1041 1 9 . 1 1 16 16 ARG HA H 16 3.595 3.595 3.902 -0.307 18463 1042 1 9 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.916 1.273 18463 1043 1 9 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.871 0.437 18463 1044 1 9 . 1 1 16 16 ARG H H 16 8.081 8.081 8.228 -0.147 18463 1045 1 9 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.105 -0.026 18463 1046 1 9 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.395 -0.235 18463 1047 1 9 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.216 -0.444 18463 1048 1 9 . 1 1 17 17 ALA H H 17 7.763 7.763 7.811 -0.048 18463 1049 1 9 . 1 1 18 18 LEU HA H 18 4.007 4.007 3.986 0.021 18463 1050 1 9 . 1 1 18 18 LEU CB C 18 42.373 42.373 41.995 0.378 18463 1051 1 9 . 1 1 18 18 LEU H H 18 7.265 7.265 7.124 0.141 18463 1052 1 9 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.218 0.856 18463 1053 1 9 . 1 1 20 20 GLY H H 20 9.107 9.107 8.717 0.390 18463 1054 1 9 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.820 -0.289 18463 1055 1 9 . 1 1 21 21 GLY H H 21 8.671 8.671 8.089 0.582 18463 1056 1 9 . 1 1 22 22 ARG N N 22 119.872 119.872 121.778 -1.906 18463 1057 1 9 . 1 1 22 22 ARG HA H 22 3.993 3.993 4.059 -0.066 18463 1058 1 9 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.970 0.645 18463 1059 1 9 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.866 0.858 18463 1060 1 9 . 1 1 22 22 ARG H H 22 6.965 6.965 7.598 -0.633 18463 1061 1 9 . 1 1 23 23 THR HA H 23 4.277 4.277 4.239 0.038 18463 1062 1 9 . 1 1 23 23 THR CB C 23 70.344 70.344 69.561 0.783 18463 1063 1 9 . 1 1 23 23 THR H H 23 8.837 8.837 8.241 0.596 18463 1064 1 9 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.115 0.042 18463 1065 1 9 . 1 1 24 24 GLY H H 24 7.354 7.354 7.295 0.059 18463 1066 1 9 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.126 1.675 18463 1067 1 9 . 1 1 25 25 GLY H H 25 8.054 8.054 7.188 0.866 18463 1068 1 9 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.890 -0.116 18463 1069 1 9 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.732 -3.011 18463 1070 1 9 . 1 1 26 26 TYR H H 26 8.932 8.932 9.022 -0.090 18463 1071 1 9 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.638 -0.450 18463 1072 1 9 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.795 -4.943 18463 1073 1 9 . 1 1 27 27 CYS CB C 27 37.300 37.300 29.319 7.981 18463 1074 1 9 . 1 1 27 27 CYS H H 27 8.753 8.753 8.706 0.047 18463 1075 1 9 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.552 0.102 18463 1076 1 9 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.737 -0.134 18463 1077 1 9 . 1 1 28 28 ALA CB C 28 20.758 20.758 21.538 -0.780 18463 1078 1 9 . 1 1 28 28 ALA H H 28 9.122 9.122 9.198 -0.076 18463 1079 1 9 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.697 0.011 18463 1080 1 9 . 1 1 29 29 GLY H H 29 8.548 8.548 8.060 0.488 18463 1081 1 9 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.280 0.068 18463 1082 1 9 . 1 1 30 30 PRO CB C 30 31.840 31.840 31.965 -0.125 18463 1083 1 9 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.469 0.331 18463 1084 1 9 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.142 -1.436 18463 1085 1 9 . 1 1 31 31 TRP H H 31 9.002 9.002 8.111 0.891 18463 1086 1 9 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.718 -0.836 18463 1087 1 9 . 1 1 32 32 TYR CA C 32 58.010 58.010 56.209 1.801 18463 1088 1 9 . 1 1 32 32 TYR CB C 32 35.410 35.410 39.449 -4.038 18463 1089 1 9 . 1 1 32 32 TYR H H 32 6.367 6.367 7.107 -0.740 18463 1090 1 9 . 1 1 33 33 LEU HA H 33 4.450 4.450 4.018 0.432 18463 1091 1 9 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.016 -1.328 18463 1092 1 9 . 1 1 33 33 LEU CB C 33 42.778 42.778 42.173 0.605 18463 1093 1 9 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.341 0.469 18463 1094 1 9 . 1 1 34 34 GLY H H 34 7.632 7.632 8.361 -0.729 18463 1095 1 9 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.936 -1.231 18463 1096 1 9 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.936 -4.172 18463 1097 1 9 . 1 1 35 35 HIS H H 35 7.334 7.334 8.271 -0.937 18463 1098 1 9 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.344 -0.470 18463 1099 1 9 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.732 0.340 18463 1100 1 9 . 1 1 37 37 THR HA H 37 4.356 4.356 4.488 -0.132 18463 1101 1 9 . 1 1 37 37 THR CB C 37 69.525 69.525 69.136 0.389 18463 1102 1 9 . 1 1 37 37 THR H H 37 8.185 8.185 8.221 -0.036 18463 1103 1 9 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.896 0.130 18463 1104 1 9 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.852 -1.802 18463 1105 1 9 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.265 6.656 18463 1106 1 9 . 1 1 38 38 CYS H H 38 9.046 9.046 9.170 -0.124 18463 1107 1 9 . 1 1 39 39 THR HA H 39 4.277 4.277 4.638 -0.361 18463 1108 1 9 . 1 1 39 39 THR CB C 39 70.474 70.474 70.456 0.018 18463 1109 1 9 . 1 1 39 39 THR H H 39 9.272 9.272 9.097 0.175 18463 1110 1 9 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.570 0.897 18463 1111 1 9 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.650 -5.585 18463 1112 1 9 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.915 6.171 18463 1113 1 9 . 1 1 40 40 CYS H H 40 8.658 8.658 8.805 -0.147 18463 1114 1 9 . 1 1 41 41 SER HA H 41 4.771 4.771 4.952 -0.181 18463 1115 1 9 . 1 1 41 41 SER CB C 41 66.158 66.158 64.513 1.645 18463 1116 1 9 . 1 1 41 41 SER H H 41 8.680 8.680 8.533 0.147 18463 1117 1 10 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.184 -0.213 18463 1118 1 10 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.374 0.668 18463 1119 1 10 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.505 0.815 18463 1120 1 10 . 1 1 2 2 PHE H H 2 8.600 8.600 8.409 0.191 18463 1121 1 10 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.098 -0.225 18463 1122 1 10 . 1 1 3 3 GLY H H 3 8.004 8.004 8.414 -0.410 18463 1123 1 10 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.108 -0.335 18463 1124 1 10 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.045 9.742 18463 1125 1 10 . 1 1 4 4 CYS H H 4 7.575 7.575 7.709 -0.134 18463 1126 1 10 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.457 0.232 18463 1127 1 10 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.635 -0.526 18463 1128 1 10 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.318 3.065 18463 1129 1 10 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.929 1.665 18463 1130 1 10 . 1 1 6 6 GLY H H 6 8.907 8.907 8.343 0.564 18463 1131 1 10 . 1 1 7 7 ASP HA H 7 5.007 5.007 4.982 0.025 18463 1132 1 10 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.415 0.061 18463 1133 1 10 . 1 1 7 7 ASP CB C 7 40.265 40.265 40.344 -0.079 18463 1134 1 10 . 1 1 7 7 ASP H H 7 8.466 8.466 8.141 0.325 18463 1135 1 10 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.223 -0.226 18463 1136 1 10 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.062 -0.163 18463 1137 1 10 . 1 1 8 8 ALA H H 8 8.560 8.560 8.309 0.251 18463 1138 1 10 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.084 0.226 18463 1139 1 10 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.654 -1.175 18463 1140 1 10 . 1 1 9 9 TYR H H 9 8.432 8.432 8.316 0.116 18463 1141 1 10 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.086 -0.142 18463 1142 1 10 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.975 -0.340 18463 1143 1 10 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.474 -0.115 18463 1144 1 10 . 1 1 10 10 GLN H H 10 7.861 7.861 8.697 -0.836 18463 1145 1 10 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.278 0.609 18463 1146 1 10 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.744 -3.186 18463 1147 1 10 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.448 10.426 18463 1148 1 10 . 1 1 11 11 CYS H H 11 7.341 7.341 7.762 -0.421 18463 1149 1 10 . 1 1 12 12 SER N N 12 117.382 117.382 116.579 0.803 18463 1150 1 10 . 1 1 12 12 SER HA H 12 3.692 3.692 3.931 -0.239 18463 1151 1 10 . 1 1 12 12 SER CB C 12 62.945 62.945 62.664 0.281 18463 1152 1 10 . 1 1 12 12 SER H H 12 8.513 8.513 8.032 0.481 18463 1153 1 10 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.732 0.098 18463 1154 1 10 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.436 -0.336 18463 1155 1 10 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.494 -0.194 18463 1156 1 10 . 1 1 13 13 GLU H H 13 8.199 8.199 8.046 0.153 18463 1157 1 10 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.082 0.185 18463 1158 1 10 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.272 -0.637 18463 1159 1 10 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.225 -2.150 18463 1160 1 10 . 1 1 14 14 HIS H H 14 8.250 8.250 8.131 0.119 18463 1161 1 10 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.646 0.098 18463 1162 1 10 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.186 -2.278 18463 1163 1 10 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.419 13.940 18463 1164 1 10 . 1 1 15 15 CYS H H 15 8.419 8.419 7.817 0.602 18463 1165 1 10 . 1 1 16 16 ARG HA H 16 3.595 3.595 3.910 -0.315 18463 1166 1 10 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.984 1.205 18463 1167 1 10 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.816 0.492 18463 1168 1 10 . 1 1 16 16 ARG H H 16 8.081 8.081 8.323 -0.242 18463 1169 1 10 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.097 -0.018 18463 1170 1 10 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.359 -0.200 18463 1171 1 10 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.242 -0.470 18463 1172 1 10 . 1 1 17 17 ALA H H 17 7.763 7.763 7.961 -0.198 18463 1173 1 10 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.046 -0.039 18463 1174 1 10 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.066 0.307 18463 1175 1 10 . 1 1 18 18 LEU H H 18 7.265 7.265 7.131 0.134 18463 1176 1 10 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.164 0.910 18463 1177 1 10 . 1 1 20 20 GLY H H 20 9.107 9.107 8.690 0.417 18463 1178 1 10 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.802 -0.271 18463 1179 1 10 . 1 1 21 21 GLY H H 21 8.671 8.671 8.123 0.548 18463 1180 1 10 . 1 1 22 22 ARG N N 22 119.872 119.872 121.832 -1.960 18463 1181 1 10 . 1 1 22 22 ARG HA H 22 3.993 3.993 4.069 -0.076 18463 1182 1 10 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.751 0.864 18463 1183 1 10 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.796 0.928 18463 1184 1 10 . 1 1 22 22 ARG H H 22 6.965 6.965 7.497 -0.532 18463 1185 1 10 . 1 1 23 23 THR HA H 23 4.277 4.277 4.201 0.076 18463 1186 1 10 . 1 1 23 23 THR CB C 23 70.344 70.344 69.511 0.833 18463 1187 1 10 . 1 1 23 23 THR H H 23 8.837 8.837 8.100 0.737 18463 1188 1 10 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.071 0.086 18463 1189 1 10 . 1 1 24 24 GLY H H 24 7.354 7.354 7.150 0.204 18463 1190 1 10 . 1 1 25 25 GLY CA C 25 46.801 46.801 44.975 1.825 18463 1191 1 10 . 1 1 25 25 GLY H H 25 8.054 8.054 7.772 0.281 18463 1192 1 10 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.966 -0.192 18463 1193 1 10 . 1 1 26 26 TYR CB C 26 39.721 39.721 41.997 -2.276 18463 1194 1 10 . 1 1 26 26 TYR H H 26 8.932 8.932 8.886 0.046 18463 1195 1 10 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.701 -0.513 18463 1196 1 10 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.744 -4.892 18463 1197 1 10 . 1 1 27 27 CYS CB C 27 37.300 37.300 29.952 7.348 18463 1198 1 10 . 1 1 27 27 CYS H H 27 8.753 8.753 8.619 0.134 18463 1199 1 10 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.630 0.024 18463 1200 1 10 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.614 -0.011 18463 1201 1 10 . 1 1 28 28 ALA CB C 28 20.758 20.758 21.704 -0.947 18463 1202 1 10 . 1 1 28 28 ALA H H 28 9.122 9.122 9.236 -0.114 18463 1203 1 10 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.602 0.106 18463 1204 1 10 . 1 1 29 29 GLY H H 29 8.548 8.548 8.090 0.458 18463 1205 1 10 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.179 0.169 18463 1206 1 10 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.104 -0.264 18463 1207 1 10 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.543 0.257 18463 1208 1 10 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.258 -1.552 18463 1209 1 10 . 1 1 31 31 TRP H H 31 9.002 9.002 8.006 0.996 18463 1210 1 10 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.678 -0.796 18463 1211 1 10 . 1 1 32 32 TYR CA C 32 58.010 58.010 56.106 1.904 18463 1212 1 10 . 1 1 32 32 TYR CB C 32 35.410 35.410 39.245 -3.835 18463 1213 1 10 . 1 1 32 32 TYR H H 32 6.367 6.367 7.075 -0.708 18463 1214 1 10 . 1 1 33 33 LEU HA H 33 4.450 4.450 4.002 0.448 18463 1215 1 10 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.180 -1.492 18463 1216 1 10 . 1 1 33 33 LEU CB C 33 42.778 42.778 42.055 0.723 18463 1217 1 10 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.321 0.489 18463 1218 1 10 . 1 1 34 34 GLY H H 34 7.632 7.632 8.330 -0.698 18463 1219 1 10 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.964 -1.259 18463 1220 1 10 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.960 -4.196 18463 1221 1 10 . 1 1 35 35 HIS H H 35 7.334 7.334 8.296 -0.962 18463 1222 1 10 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.559 -0.685 18463 1223 1 10 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.606 0.466 18463 1224 1 10 . 1 1 37 37 THR HA H 37 4.356 4.356 4.466 -0.110 18463 1225 1 10 . 1 1 37 37 THR CB C 37 69.525 69.525 69.305 0.220 18463 1226 1 10 . 1 1 37 37 THR H H 37 8.185 8.185 8.264 -0.079 18463 1227 1 10 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.980 0.046 18463 1228 1 10 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.757 -1.707 18463 1229 1 10 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.579 6.342 18463 1230 1 10 . 1 1 38 38 CYS H H 38 9.046 9.046 9.136 -0.090 18463 1231 1 10 . 1 1 39 39 THR HA H 39 4.277 4.277 4.630 -0.353 18463 1232 1 10 . 1 1 39 39 THR CB C 39 70.474 70.474 70.578 -0.104 18463 1233 1 10 . 1 1 39 39 THR H H 39 9.272 9.272 9.043 0.229 18463 1234 1 10 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.499 0.968 18463 1235 1 10 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.664 -5.599 18463 1236 1 10 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.614 6.472 18463 1237 1 10 . 1 1 40 40 CYS H H 40 8.658 8.658 8.810 -0.152 18463 1238 1 10 . 1 1 41 41 SER HA H 41 4.771 4.771 4.889 -0.118 18463 1239 1 10 . 1 1 41 41 SER CB C 41 66.158 66.158 64.135 2.023 18463 1240 1 10 . 1 1 41 41 SER H H 41 8.680 8.680 8.400 0.280 18463 1241 1 11 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.221 -0.250 18463 1242 1 11 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.311 0.731 18463 1243 1 11 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.587 0.733 18463 1244 1 11 . 1 1 2 2 PHE H H 2 8.600 8.600 8.099 0.501 18463 1245 1 11 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.103 -0.230 18463 1246 1 11 . 1 1 3 3 GLY H H 3 8.004 8.004 8.417 -0.413 18463 1247 1 11 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.197 -0.424 18463 1248 1 11 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.555 9.232 18463 1249 1 11 . 1 1 4 4 CYS H H 4 7.575 7.575 7.691 -0.116 18463 1250 1 11 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.437 0.252 18463 1251 1 11 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.721 -0.612 18463 1252 1 11 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.314 3.069 18463 1253 1 11 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.858 1.736 18463 1254 1 11 . 1 1 6 6 GLY H H 6 8.907 8.907 8.359 0.548 18463 1255 1 11 . 1 1 7 7 ASP HA H 7 5.007 5.007 4.987 0.020 18463 1256 1 11 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.584 -0.108 18463 1257 1 11 . 1 1 7 7 ASP CB C 7 40.265 40.265 42.621 -2.357 18463 1258 1 11 . 1 1 7 7 ASP H H 7 8.466 8.466 8.301 0.165 18463 1259 1 11 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.451 -0.454 18463 1260 1 11 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.337 -0.438 18463 1261 1 11 . 1 1 8 8 ALA H H 8 8.560 8.560 8.733 -0.173 18463 1262 1 11 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.039 0.271 18463 1263 1 11 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.893 -1.414 18463 1264 1 11 . 1 1 9 9 TYR H H 9 8.432 8.432 8.890 -0.458 18463 1265 1 11 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.282 -0.338 18463 1266 1 11 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.896 -0.261 18463 1267 1 11 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.498 -0.139 18463 1268 1 11 . 1 1 10 10 GLN H H 10 7.861 7.861 9.116 -1.255 18463 1269 1 11 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.309 0.578 18463 1270 1 11 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.559 -3.001 18463 1271 1 11 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.386 10.488 18463 1272 1 11 . 1 1 11 11 CYS H H 11 7.341 7.341 8.332 -0.991 18463 1273 1 11 . 1 1 12 12 SER N N 12 117.382 117.382 116.645 0.737 18463 1274 1 11 . 1 1 12 12 SER HA H 12 3.692 3.692 3.933 -0.241 18463 1275 1 11 . 1 1 12 12 SER CB C 12 62.945 62.945 62.651 0.294 18463 1276 1 11 . 1 1 12 12 SER H H 12 8.513 8.513 8.252 0.261 18463 1277 1 11 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.747 0.083 18463 1278 1 11 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.398 -0.298 18463 1279 1 11 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.520 -0.220 18463 1280 1 11 . 1 1 13 13 GLU H H 13 8.199 8.199 7.950 0.249 18463 1281 1 11 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.098 0.169 18463 1282 1 11 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.316 -0.681 18463 1283 1 11 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.344 -2.269 18463 1284 1 11 . 1 1 14 14 HIS H H 14 8.250 8.250 8.183 0.067 18463 1285 1 11 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.795 -0.051 18463 1286 1 11 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.715 -2.807 18463 1287 1 11 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.660 13.699 18463 1288 1 11 . 1 1 15 15 CYS H H 15 8.419 8.419 7.916 0.503 18463 1289 1 11 . 1 1 16 16 ARG HA H 16 3.595 3.595 4.023 -0.428 18463 1290 1 11 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.902 1.287 18463 1291 1 11 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.888 0.420 18463 1292 1 11 . 1 1 16 16 ARG H H 16 8.081 8.081 8.306 -0.225 18463 1293 1 11 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.092 -0.013 18463 1294 1 11 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.389 -0.229 18463 1295 1 11 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.203 -0.431 18463 1296 1 11 . 1 1 17 17 ALA H H 17 7.763 7.763 7.730 0.033 18463 1297 1 11 . 1 1 18 18 LEU HA H 18 4.007 4.007 3.990 0.017 18463 1298 1 11 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.019 0.354 18463 1299 1 11 . 1 1 18 18 LEU H H 18 7.265 7.265 7.083 0.182 18463 1300 1 11 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.316 0.758 18463 1301 1 11 . 1 1 20 20 GLY H H 20 9.107 9.107 8.699 0.408 18463 1302 1 11 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.807 -0.276 18463 1303 1 11 . 1 1 21 21 GLY H H 21 8.671 8.671 8.112 0.559 18463 1304 1 11 . 1 1 22 22 ARG N N 22 119.872 119.872 121.536 -1.664 18463 1305 1 11 . 1 1 22 22 ARG HA H 22 3.993 3.993 3.973 0.020 18463 1306 1 11 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.791 0.824 18463 1307 1 11 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.853 0.871 18463 1308 1 11 . 1 1 22 22 ARG H H 22 6.965 6.965 7.500 -0.535 18463 1309 1 11 . 1 1 23 23 THR HA H 23 4.277 4.277 4.328 -0.051 18463 1310 1 11 . 1 1 23 23 THR CB C 23 70.344 70.344 69.725 0.619 18463 1311 1 11 . 1 1 23 23 THR H H 23 8.837 8.837 8.339 0.498 18463 1312 1 11 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.214 -0.056 18463 1313 1 11 . 1 1 24 24 GLY H H 24 7.354 7.354 7.200 0.154 18463 1314 1 11 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.107 1.694 18463 1315 1 11 . 1 1 25 25 GLY H H 25 8.054 8.054 7.702 0.351 18463 1316 1 11 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.950 -0.176 18463 1317 1 11 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.207 -2.486 18463 1318 1 11 . 1 1 26 26 TYR H H 26 8.932 8.932 8.918 0.014 18463 1319 1 11 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.614 -0.426 18463 1320 1 11 . 1 1 27 27 CYS CA C 27 52.852 52.852 58.054 -5.202 18463 1321 1 11 . 1 1 27 27 CYS CB C 27 37.300 37.300 28.694 8.606 18463 1322 1 11 . 1 1 27 27 CYS H H 27 8.753 8.753 8.771 -0.018 18463 1323 1 11 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.720 -0.066 18463 1324 1 11 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.677 -0.074 18463 1325 1 11 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.000 -1.242 18463 1326 1 11 . 1 1 28 28 ALA H H 28 9.122 9.122 9.136 -0.014 18463 1327 1 11 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.371 0.337 18463 1328 1 11 . 1 1 29 29 GLY H H 29 8.548 8.548 8.364 0.184 18463 1329 1 11 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.385 -0.037 18463 1330 1 11 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.039 -0.199 18463 1331 1 11 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.454 0.346 18463 1332 1 11 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.120 -1.414 18463 1333 1 11 . 1 1 31 31 TRP H H 31 9.002 9.002 8.232 0.770 18463 1334 1 11 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.678 -0.796 18463 1335 1 11 . 1 1 32 32 TYR CA C 32 58.010 58.010 56.067 1.943 18463 1336 1 11 . 1 1 32 32 TYR CB C 32 35.410 35.410 39.248 -3.838 18463 1337 1 11 . 1 1 32 32 TYR H H 32 6.367 6.367 7.069 -0.702 18463 1338 1 11 . 1 1 33 33 LEU HA H 33 4.450 4.450 4.003 0.447 18463 1339 1 11 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.161 -1.473 18463 1340 1 11 . 1 1 33 33 LEU CB C 33 42.778 42.778 42.039 0.739 18463 1341 1 11 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.320 0.490 18463 1342 1 11 . 1 1 34 34 GLY H H 34 7.632 7.632 8.331 -0.699 18463 1343 1 11 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.983 -1.278 18463 1344 1 11 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.992 -4.228 18463 1345 1 11 . 1 1 35 35 HIS H H 35 7.334 7.334 8.336 -1.002 18463 1346 1 11 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.387 -0.513 18463 1347 1 11 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.614 0.458 18463 1348 1 11 . 1 1 37 37 THR HA H 37 4.356 4.356 4.468 -0.112 18463 1349 1 11 . 1 1 37 37 THR CB C 37 69.525 69.525 69.694 -0.168 18463 1350 1 11 . 1 1 37 37 THR H H 37 8.185 8.185 8.173 0.012 18463 1351 1 11 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.941 0.085 18463 1352 1 11 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.774 -1.724 18463 1353 1 11 . 1 1 38 38 CYS CB C 38 34.921 34.921 27.639 7.282 18463 1354 1 11 . 1 1 38 38 CYS H H 38 9.046 9.046 9.168 -0.121 18463 1355 1 11 . 1 1 39 39 THR HA H 39 4.277 4.277 4.701 -0.424 18463 1356 1 11 . 1 1 39 39 THR CB C 39 70.474 70.474 71.141 -0.667 18463 1357 1 11 . 1 1 39 39 THR H H 39 9.272 9.272 9.229 0.043 18463 1358 1 11 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.617 0.850 18463 1359 1 11 . 1 1 40 40 CYS CA C 40 52.065 52.065 58.045 -5.980 18463 1360 1 11 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.461 6.625 18463 1361 1 11 . 1 1 40 40 CYS H H 40 8.658 8.658 8.835 -0.177 18463 1362 1 11 . 1 1 41 41 SER HA H 41 4.771 4.771 4.866 -0.095 18463 1363 1 11 . 1 1 41 41 SER CB C 41 66.158 66.158 64.667 1.491 18463 1364 1 11 . 1 1 41 41 SER H H 41 8.680 8.680 8.567 0.113 18463 1365 1 12 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.179 -0.208 18463 1366 1 12 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.170 0.872 18463 1367 1 12 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.453 0.867 18463 1368 1 12 . 1 1 2 2 PHE H H 2 8.600 8.600 8.161 0.439 18463 1369 1 12 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.069 -0.196 18463 1370 1 12 . 1 1 3 3 GLY H H 3 8.004 8.004 8.345 -0.341 18463 1371 1 12 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.188 -0.415 18463 1372 1 12 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.447 9.340 18463 1373 1 12 . 1 1 4 4 CYS H H 4 7.575 7.575 7.733 -0.158 18463 1374 1 12 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.442 0.247 18463 1375 1 12 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.680 -0.571 18463 1376 1 12 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.355 3.028 18463 1377 1 12 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.906 1.688 18463 1378 1 12 . 1 1 6 6 GLY H H 6 8.907 8.907 8.345 0.562 18463 1379 1 12 . 1 1 7 7 ASP HA H 7 5.007 5.007 4.999 0.008 18463 1380 1 12 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.459 0.017 18463 1381 1 12 . 1 1 7 7 ASP CB C 7 40.265 40.265 41.746 -1.481 18463 1382 1 12 . 1 1 7 7 ASP H H 7 8.466 8.466 8.250 0.216 18463 1383 1 12 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.325 -0.328 18463 1384 1 12 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.118 -0.219 18463 1385 1 12 . 1 1 8 8 ALA H H 8 8.560 8.560 8.831 -0.271 18463 1386 1 12 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.060 0.250 18463 1387 1 12 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.794 -1.315 18463 1388 1 12 . 1 1 9 9 TYR H H 9 8.432 8.432 8.799 -0.367 18463 1389 1 12 . 1 1 10 10 GLN HA H 10 3.944 3.944 3.960 -0.016 18463 1390 1 12 . 1 1 10 10 GLN CA C 10 58.635 58.635 59.007 -0.372 18463 1391 1 12 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.411 -0.052 18463 1392 1 12 . 1 1 10 10 GLN H H 10 7.861 7.861 8.859 -0.998 18463 1393 1 12 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.284 0.603 18463 1394 1 12 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.736 -3.178 18463 1395 1 12 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.411 10.463 18463 1396 1 12 . 1 1 11 11 CYS H H 11 7.341 7.341 8.004 -0.663 18463 1397 1 12 . 1 1 12 12 SER N N 12 117.382 117.382 116.499 0.883 18463 1398 1 12 . 1 1 12 12 SER HA H 12 3.692 3.692 3.951 -0.259 18463 1399 1 12 . 1 1 12 12 SER CB C 12 62.945 62.945 62.688 0.257 18463 1400 1 12 . 1 1 12 12 SER H H 12 8.513 8.513 8.167 0.346 18463 1401 1 12 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.748 0.082 18463 1402 1 12 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.330 -0.230 18463 1403 1 12 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.486 -0.186 18463 1404 1 12 . 1 1 13 13 GLU H H 13 8.199 8.199 8.065 0.134 18463 1405 1 12 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.147 0.120 18463 1406 1 12 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.435 -0.800 18463 1407 1 12 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.438 -2.363 18463 1408 1 12 . 1 1 14 14 HIS H H 14 8.250 8.250 8.267 -0.017 18463 1409 1 12 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.680 0.064 18463 1410 1 12 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.504 -2.596 18463 1411 1 12 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.662 13.697 18463 1412 1 12 . 1 1 15 15 CYS H H 15 8.419 8.419 7.860 0.559 18463 1413 1 12 . 1 1 16 16 ARG HA H 16 3.595 3.595 3.898 -0.303 18463 1414 1 12 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.885 1.304 18463 1415 1 12 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.857 0.451 18463 1416 1 12 . 1 1 16 16 ARG H H 16 8.081 8.081 8.255 -0.174 18463 1417 1 12 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.108 -0.029 18463 1418 1 12 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.303 -0.143 18463 1419 1 12 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.254 -0.482 18463 1420 1 12 . 1 1 17 17 ALA H H 17 7.763 7.763 7.945 -0.182 18463 1421 1 12 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.027 -0.020 18463 1422 1 12 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.078 0.295 18463 1423 1 12 . 1 1 18 18 LEU H H 18 7.265 7.265 7.115 0.150 18463 1424 1 12 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.313 0.761 18463 1425 1 12 . 1 1 20 20 GLY H H 20 9.107 9.107 8.708 0.399 18463 1426 1 12 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.774 -0.243 18463 1427 1 12 . 1 1 21 21 GLY H H 21 8.671 8.671 8.096 0.575 18463 1428 1 12 . 1 1 22 22 ARG N N 22 119.872 119.872 121.739 -1.867 18463 1429 1 12 . 1 1 22 22 ARG HA H 22 3.993 3.993 3.885 0.108 18463 1430 1 12 . 1 1 22 22 ARG CA C 22 56.615 56.615 56.016 0.599 18463 1431 1 12 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.756 0.968 18463 1432 1 12 . 1 1 22 22 ARG H H 22 6.965 6.965 7.543 -0.578 18463 1433 1 12 . 1 1 23 23 THR HA H 23 4.277 4.277 4.305 -0.028 18463 1434 1 12 . 1 1 23 23 THR CB C 23 70.344 70.344 69.652 0.692 18463 1435 1 12 . 1 1 23 23 THR H H 23 8.837 8.837 8.162 0.675 18463 1436 1 12 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.175 -0.018 18463 1437 1 12 . 1 1 24 24 GLY H H 24 7.354 7.354 7.214 0.140 18463 1438 1 12 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.058 1.743 18463 1439 1 12 . 1 1 25 25 GLY H H 25 8.054 8.054 7.756 0.298 18463 1440 1 12 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.952 -0.178 18463 1441 1 12 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.185 -2.464 18463 1442 1 12 . 1 1 26 26 TYR H H 26 8.932 8.932 8.960 -0.028 18463 1443 1 12 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.509 -0.321 18463 1444 1 12 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.988 -5.136 18463 1445 1 12 . 1 1 27 27 CYS CB C 27 37.300 37.300 28.292 9.008 18463 1446 1 12 . 1 1 27 27 CYS H H 27 8.753 8.753 8.734 0.019 18463 1447 1 12 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.664 -0.010 18463 1448 1 12 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.026 0.577 18463 1449 1 12 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.267 -1.509 18463 1450 1 12 . 1 1 28 28 ALA H H 28 9.122 9.122 9.056 0.066 18463 1451 1 12 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.617 0.091 18463 1452 1 12 . 1 1 29 29 GLY H H 29 8.548 8.548 8.334 0.214 18463 1453 1 12 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.103 0.245 18463 1454 1 12 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.033 -0.193 18463 1455 1 12 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.496 0.304 18463 1456 1 12 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.078 -1.371 18463 1457 1 12 . 1 1 31 31 TRP H H 31 9.002 9.002 8.186 0.816 18463 1458 1 12 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.776 -0.894 18463 1459 1 12 . 1 1 32 32 TYR CA C 32 58.010 58.010 55.441 2.568 18463 1460 1 12 . 1 1 32 32 TYR CB C 32 35.410 35.410 39.985 -4.575 18463 1461 1 12 . 1 1 32 32 TYR H H 32 6.367 6.367 6.768 -0.401 18463 1462 1 12 . 1 1 33 33 LEU HA H 33 4.450 4.450 3.991 0.459 18463 1463 1 12 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.306 -1.618 18463 1464 1 12 . 1 1 33 33 LEU CB C 33 42.778 42.778 41.877 0.901 18463 1465 1 12 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.201 0.609 18463 1466 1 12 . 1 1 34 34 GLY H H 34 7.632 7.632 8.253 -0.621 18463 1467 1 12 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.951 -1.246 18463 1468 1 12 . 1 1 35 35 HIS CB C 35 25.764 25.764 30.135 -4.371 18463 1469 1 12 . 1 1 35 35 HIS H H 35 7.334 7.334 8.370 -1.036 18463 1470 1 12 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.588 -0.714 18463 1471 1 12 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.515 0.557 18463 1472 1 12 . 1 1 37 37 THR HA H 37 4.356 4.356 4.495 -0.139 18463 1473 1 12 . 1 1 37 37 THR CB C 37 69.525 69.525 69.519 0.006 18463 1474 1 12 . 1 1 37 37 THR H H 37 8.185 8.185 8.233 -0.048 18463 1475 1 12 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.998 0.028 18463 1476 1 12 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.684 -1.634 18463 1477 1 12 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.247 6.674 18463 1478 1 12 . 1 1 38 38 CYS H H 38 9.046 9.046 9.199 -0.153 18463 1479 1 12 . 1 1 39 39 THR HA H 39 4.277 4.277 4.626 -0.349 18463 1480 1 12 . 1 1 39 39 THR CB C 39 70.474 70.474 70.377 0.097 18463 1481 1 12 . 1 1 39 39 THR H H 39 9.272 9.272 9.068 0.204 18463 1482 1 12 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.441 1.026 18463 1483 1 12 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.624 -5.559 18463 1484 1 12 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.834 6.252 18463 1485 1 12 . 1 1 40 40 CYS H H 40 8.658 8.658 8.798 -0.140 18463 1486 1 12 . 1 1 41 41 SER HA H 41 4.771 4.771 4.920 -0.149 18463 1487 1 12 . 1 1 41 41 SER CB C 41 66.158 66.158 64.278 1.880 18463 1488 1 12 . 1 1 41 41 SER H H 41 8.680 8.680 8.406 0.274 18463 1489 1 13 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.180 -0.209 18463 1490 1 13 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.236 0.806 18463 1491 1 13 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.436 0.884 18463 1492 1 13 . 1 1 2 2 PHE H H 2 8.600 8.600 8.094 0.506 18463 1493 1 13 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.151 -0.278 18463 1494 1 13 . 1 1 3 3 GLY H H 3 8.004 8.004 8.392 -0.388 18463 1495 1 13 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.202 -0.429 18463 1496 1 13 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.552 9.236 18463 1497 1 13 . 1 1 4 4 CYS H H 4 7.575 7.575 7.713 -0.138 18463 1498 1 13 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.441 0.248 18463 1499 1 13 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.714 -0.605 18463 1500 1 13 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.486 2.897 18463 1501 1 13 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.832 1.762 18463 1502 1 13 . 1 1 6 6 GLY H H 6 8.907 8.907 8.446 0.461 18463 1503 1 13 . 1 1 7 7 ASP HA H 7 5.007 5.007 4.986 0.021 18463 1504 1 13 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.587 -0.111 18463 1505 1 13 . 1 1 7 7 ASP CB C 7 40.265 40.265 42.574 -2.309 18463 1506 1 13 . 1 1 7 7 ASP H H 7 8.466 8.466 8.284 0.182 18463 1507 1 13 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.432 -0.435 18463 1508 1 13 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.458 -0.559 18463 1509 1 13 . 1 1 8 8 ALA H H 8 8.560 8.560 8.711 -0.151 18463 1510 1 13 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.041 0.269 18463 1511 1 13 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.769 -1.290 18463 1512 1 13 . 1 1 9 9 TYR H H 9 8.432 8.432 8.863 -0.431 18463 1513 1 13 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.143 -0.199 18463 1514 1 13 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.955 -0.320 18463 1515 1 13 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.379 -0.020 18463 1516 1 13 . 1 1 10 10 GLN H H 10 7.861 7.861 9.088 -1.227 18463 1517 1 13 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.304 0.583 18463 1518 1 13 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.517 -2.959 18463 1519 1 13 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.375 10.499 18463 1520 1 13 . 1 1 11 11 CYS H H 11 7.341 7.341 8.343 -1.002 18463 1521 1 13 . 1 1 12 12 SER N N 12 117.382 117.382 116.572 0.810 18463 1522 1 13 . 1 1 12 12 SER HA H 12 3.692 3.692 3.911 -0.219 18463 1523 1 13 . 1 1 12 12 SER CB C 12 62.945 62.945 62.636 0.309 18463 1524 1 13 . 1 1 12 12 SER H H 12 8.513 8.513 8.132 0.381 18463 1525 1 13 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.734 0.096 18463 1526 1 13 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.483 -0.383 18463 1527 1 13 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.490 -0.190 18463 1528 1 13 . 1 1 13 13 GLU H H 13 8.199 8.199 7.977 0.222 18463 1529 1 13 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.110 0.157 18463 1530 1 13 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.342 -0.707 18463 1531 1 13 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.374 -2.299 18463 1532 1 13 . 1 1 14 14 HIS H H 14 8.250 8.250 8.127 0.123 18463 1533 1 13 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.756 -0.012 18463 1534 1 13 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.666 -2.758 18463 1535 1 13 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.670 13.689 18463 1536 1 13 . 1 1 15 15 CYS H H 15 8.419 8.419 7.880 0.539 18463 1537 1 13 . 1 1 16 16 ARG HA H 16 3.595 3.595 3.900 -0.305 18463 1538 1 13 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.887 1.302 18463 1539 1 13 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.893 0.415 18463 1540 1 13 . 1 1 16 16 ARG H H 16 8.081 8.081 8.321 -0.240 18463 1541 1 13 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.102 -0.023 18463 1542 1 13 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.406 -0.246 18463 1543 1 13 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.248 -0.476 18463 1544 1 13 . 1 1 17 17 ALA H H 17 7.763 7.763 7.982 -0.219 18463 1545 1 13 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.010 -0.003 18463 1546 1 13 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.058 0.315 18463 1547 1 13 . 1 1 18 18 LEU H H 18 7.265 7.265 7.115 0.150 18463 1548 1 13 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.312 0.762 18463 1549 1 13 . 1 1 20 20 GLY H H 20 9.107 9.107 8.694 0.413 18463 1550 1 13 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.761 -0.231 18463 1551 1 13 . 1 1 21 21 GLY H H 21 8.671 8.671 8.118 0.553 18463 1552 1 13 . 1 1 22 22 ARG N N 22 119.872 119.872 121.716 -1.844 18463 1553 1 13 . 1 1 22 22 ARG HA H 22 3.993 3.993 3.977 0.016 18463 1554 1 13 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.873 0.742 18463 1555 1 13 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.792 0.932 18463 1556 1 13 . 1 1 22 22 ARG H H 22 6.965 6.965 7.492 -0.527 18463 1557 1 13 . 1 1 23 23 THR HA H 23 4.277 4.277 4.344 -0.067 18463 1558 1 13 . 1 1 23 23 THR CB C 23 70.344 70.344 69.718 0.626 18463 1559 1 13 . 1 1 23 23 THR H H 23 8.837 8.837 8.264 0.573 18463 1560 1 13 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.181 -0.024 18463 1561 1 13 . 1 1 24 24 GLY H H 24 7.354 7.354 7.285 0.069 18463 1562 1 13 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.142 1.659 18463 1563 1 13 . 1 1 25 25 GLY H H 25 8.054 8.054 7.215 0.839 18463 1564 1 13 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.890 -0.116 18463 1565 1 13 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.639 -2.918 18463 1566 1 13 . 1 1 26 26 TYR H H 26 8.932 8.932 8.980 -0.048 18463 1567 1 13 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.571 -0.383 18463 1568 1 13 . 1 1 27 27 CYS CA C 27 52.852 52.852 58.017 -5.165 18463 1569 1 13 . 1 1 27 27 CYS CB C 27 37.300 37.300 28.878 8.422 18463 1570 1 13 . 1 1 27 27 CYS H H 27 8.753 8.753 8.775 -0.022 18463 1571 1 13 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.766 -0.112 18463 1572 1 13 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.609 -0.006 18463 1573 1 13 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.015 -1.257 18463 1574 1 13 . 1 1 28 28 ALA H H 28 9.122 9.122 9.042 0.080 18463 1575 1 13 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.568 0.140 18463 1576 1 13 . 1 1 29 29 GLY H H 29 8.548 8.548 8.341 0.207 18463 1577 1 13 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.125 0.223 18463 1578 1 13 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.111 -0.271 18463 1579 1 13 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.457 0.343 18463 1580 1 13 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.145 -1.439 18463 1581 1 13 . 1 1 31 31 TRP H H 31 9.002 9.002 8.139 0.863 18463 1582 1 13 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.797 -0.915 18463 1583 1 13 . 1 1 32 32 TYR CA C 32 58.010 58.010 55.340 2.670 18463 1584 1 13 . 1 1 32 32 TYR CB C 32 35.410 35.410 40.062 -4.652 18463 1585 1 13 . 1 1 32 32 TYR H H 32 6.367 6.367 6.741 -0.374 18463 1586 1 13 . 1 1 33 33 LEU HA H 33 4.450 4.450 4.006 0.444 18463 1587 1 13 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.155 -1.467 18463 1588 1 13 . 1 1 33 33 LEU CB C 33 42.778 42.778 41.963 0.815 18463 1589 1 13 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.257 0.554 18463 1590 1 13 . 1 1 34 34 GLY H H 34 7.632 7.632 8.291 -0.659 18463 1591 1 13 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.969 -1.264 18463 1592 1 13 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.965 -4.201 18463 1593 1 13 . 1 1 35 35 HIS H H 35 7.334 7.334 8.381 -1.047 18463 1594 1 13 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.576 -0.702 18463 1595 1 13 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.532 0.540 18463 1596 1 13 . 1 1 37 37 THR HA H 37 4.356 4.356 4.478 -0.121 18463 1597 1 13 . 1 1 37 37 THR CB C 37 69.525 69.525 69.561 -0.036 18463 1598 1 13 . 1 1 37 37 THR H H 37 8.185 8.185 8.191 -0.006 18463 1599 1 13 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.858 0.168 18463 1600 1 13 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.798 -1.748 18463 1601 1 13 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.264 6.657 18463 1602 1 13 . 1 1 38 38 CYS H H 38 9.046 9.046 9.164 -0.118 18463 1603 1 13 . 1 1 39 39 THR HA H 39 4.277 4.277 4.641 -0.364 18463 1604 1 13 . 1 1 39 39 THR CB C 39 70.474 70.474 70.372 0.102 18463 1605 1 13 . 1 1 39 39 THR H H 39 9.272 9.272 9.101 0.171 18463 1606 1 13 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.499 0.968 18463 1607 1 13 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.599 -5.534 18463 1608 1 13 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.979 6.107 18463 1609 1 13 . 1 1 40 40 CYS H H 40 8.658 8.658 8.820 -0.162 18463 1610 1 13 . 1 1 41 41 SER HA H 41 4.771 4.771 4.999 -0.228 18463 1611 1 13 . 1 1 41 41 SER CB C 41 66.158 66.158 64.420 1.738 18463 1612 1 13 . 1 1 41 41 SER H H 41 8.680 8.680 8.523 0.157 18463 1613 1 14 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.133 -0.162 18463 1614 1 14 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.115 0.926 18463 1615 1 14 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.354 0.966 18463 1616 1 14 . 1 1 2 2 PHE H H 2 8.600 8.600 8.146 0.454 18463 1617 1 14 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.173 -0.300 18463 1618 1 14 . 1 1 3 3 GLY H H 3 8.004 8.004 8.317 -0.313 18463 1619 1 14 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.207 -0.434 18463 1620 1 14 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.826 8.961 18463 1621 1 14 . 1 1 4 4 CYS H H 4 7.575 7.575 7.785 -0.210 18463 1622 1 14 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.417 0.272 18463 1623 1 14 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.708 -0.599 18463 1624 1 14 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.314 3.069 18463 1625 1 14 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.901 1.693 18463 1626 1 14 . 1 1 6 6 GLY H H 6 8.907 8.907 8.376 0.531 18463 1627 1 14 . 1 1 7 7 ASP HA H 7 5.007 5.007 5.024 -0.017 18463 1628 1 14 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.617 -0.141 18463 1629 1 14 . 1 1 7 7 ASP CB C 7 40.265 40.265 42.664 -2.399 18463 1630 1 14 . 1 1 7 7 ASP H H 7 8.466 8.466 8.304 0.162 18463 1631 1 14 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.397 -0.400 18463 1632 1 14 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.253 -0.354 18463 1633 1 14 . 1 1 8 8 ALA H H 8 8.560 8.560 8.780 -0.220 18463 1634 1 14 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.052 0.258 18463 1635 1 14 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.734 -1.255 18463 1636 1 14 . 1 1 9 9 TYR H H 9 8.432 8.432 8.835 -0.403 18463 1637 1 14 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.021 -0.077 18463 1638 1 14 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.894 -0.259 18463 1639 1 14 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.425 -0.066 18463 1640 1 14 . 1 1 10 10 GLN H H 10 7.861 7.861 9.031 -1.170 18463 1641 1 14 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.278 0.609 18463 1642 1 14 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.637 -3.079 18463 1643 1 14 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.402 10.472 18463 1644 1 14 . 1 1 11 11 CYS H H 11 7.341 7.341 8.045 -0.704 18463 1645 1 14 . 1 1 12 12 SER N N 12 117.382 117.382 116.563 0.819 18463 1646 1 14 . 1 1 12 12 SER HA H 12 3.692 3.692 3.899 -0.207 18463 1647 1 14 . 1 1 12 12 SER CB C 12 62.945 62.945 62.642 0.302 18463 1648 1 14 . 1 1 12 12 SER H H 12 8.513 8.513 8.172 0.341 18463 1649 1 14 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.729 0.101 18463 1650 1 14 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.407 -0.307 18463 1651 1 14 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.470 -0.170 18463 1652 1 14 . 1 1 13 13 GLU H H 13 8.199 8.199 7.842 0.357 18463 1653 1 14 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.099 0.168 18463 1654 1 14 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.242 -0.607 18463 1655 1 14 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.249 -2.174 18463 1656 1 14 . 1 1 14 14 HIS H H 14 8.250 8.250 8.136 0.114 18463 1657 1 14 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.603 0.141 18463 1658 1 14 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.443 -2.535 18463 1659 1 14 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.580 13.779 18463 1660 1 14 . 1 1 15 15 CYS H H 15 8.419 8.419 7.821 0.598 18463 1661 1 14 . 1 1 16 16 ARG HA H 16 3.595 3.595 3.904 -0.309 18463 1662 1 14 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.858 1.331 18463 1663 1 14 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.871 0.437 18463 1664 1 14 . 1 1 16 16 ARG H H 16 8.081 8.081 8.294 -0.213 18463 1665 1 14 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.095 -0.016 18463 1666 1 14 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.364 -0.204 18463 1667 1 14 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.213 -0.441 18463 1668 1 14 . 1 1 17 17 ALA H H 17 7.763 7.763 7.800 -0.037 18463 1669 1 14 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.033 -0.026 18463 1670 1 14 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.028 0.345 18463 1671 1 14 . 1 1 18 18 LEU H H 18 7.265 7.265 7.054 0.211 18463 1672 1 14 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.210 0.864 18463 1673 1 14 . 1 1 20 20 GLY H H 20 9.107 9.107 8.706 0.401 18463 1674 1 14 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.855 -0.324 18463 1675 1 14 . 1 1 21 21 GLY H H 21 8.671 8.671 8.135 0.536 18463 1676 1 14 . 1 1 22 22 ARG N N 22 119.872 119.872 121.682 -1.810 18463 1677 1 14 . 1 1 22 22 ARG HA H 22 3.993 3.993 4.065 -0.072 18463 1678 1 14 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.895 0.720 18463 1679 1 14 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.815 0.909 18463 1680 1 14 . 1 1 22 22 ARG H H 22 6.965 6.965 7.546 -0.581 18463 1681 1 14 . 1 1 23 23 THR HA H 23 4.277 4.277 4.317 -0.040 18463 1682 1 14 . 1 1 23 23 THR CB C 23 70.344 70.344 69.667 0.677 18463 1683 1 14 . 1 1 23 23 THR H H 23 8.837 8.837 8.207 0.630 18463 1684 1 14 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.174 -0.017 18463 1685 1 14 . 1 1 24 24 GLY H H 24 7.354 7.354 7.330 0.024 18463 1686 1 14 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.120 1.681 18463 1687 1 14 . 1 1 25 25 GLY H H 25 8.054 8.054 7.628 0.426 18463 1688 1 14 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.902 -0.128 18463 1689 1 14 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.618 -2.897 18463 1690 1 14 . 1 1 26 26 TYR H H 26 8.932 8.932 8.976 -0.044 18463 1691 1 14 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.613 -0.425 18463 1692 1 14 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.958 -5.106 18463 1693 1 14 . 1 1 27 27 CYS CB C 27 37.300 37.300 28.870 8.430 18463 1694 1 14 . 1 1 27 27 CYS H H 27 8.753 8.753 8.798 -0.045 18463 1695 1 14 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.448 0.206 18463 1696 1 14 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.473 0.130 18463 1697 1 14 . 1 1 28 28 ALA CB C 28 20.758 20.758 21.881 -1.123 18463 1698 1 14 . 1 1 28 28 ALA H H 28 9.122 9.122 9.085 0.037 18463 1699 1 14 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.336 0.372 18463 1700 1 14 . 1 1 29 29 GLY H H 29 8.548 8.548 8.237 0.311 18463 1701 1 14 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.007 0.341 18463 1702 1 14 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.044 -0.204 18463 1703 1 14 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.549 0.251 18463 1704 1 14 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.160 -1.454 18463 1705 1 14 . 1 1 31 31 TRP H H 31 9.002 9.002 7.695 1.307 18463 1706 1 14 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.717 -0.835 18463 1707 1 14 . 1 1 32 32 TYR CA C 32 58.010 58.010 56.206 1.804 18463 1708 1 14 . 1 1 32 32 TYR CB C 32 35.410 35.410 39.407 -3.997 18463 1709 1 14 . 1 1 32 32 TYR H H 32 6.367 6.367 7.080 -0.713 18463 1710 1 14 . 1 1 33 33 LEU HA H 33 4.450 4.450 3.967 0.483 18463 1711 1 14 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.262 -1.574 18463 1712 1 14 . 1 1 33 33 LEU CB C 33 42.778 42.778 42.254 0.524 18463 1713 1 14 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.200 0.610 18463 1714 1 14 . 1 1 34 34 GLY H H 34 7.632 7.632 8.291 -0.659 18463 1715 1 14 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.937 -1.232 18463 1716 1 14 . 1 1 35 35 HIS CB C 35 25.764 25.764 30.193 -4.429 18463 1717 1 14 . 1 1 35 35 HIS H H 35 7.334 7.334 8.336 -1.002 18463 1718 1 14 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.515 -0.641 18463 1719 1 14 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.680 0.392 18463 1720 1 14 . 1 1 37 37 THR HA H 37 4.356 4.356 4.456 -0.100 18463 1721 1 14 . 1 1 37 37 THR CB C 37 69.525 69.525 69.743 -0.218 18463 1722 1 14 . 1 1 37 37 THR H H 37 8.185 8.185 8.149 0.036 18463 1723 1 14 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.901 0.125 18463 1724 1 14 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.869 -1.819 18463 1725 1 14 . 1 1 38 38 CYS CB C 38 34.921 34.921 27.931 6.990 18463 1726 1 14 . 1 1 38 38 CYS H H 38 9.046 9.046 9.161 -0.115 18463 1727 1 14 . 1 1 39 39 THR HA H 39 4.277 4.277 4.691 -0.414 18463 1728 1 14 . 1 1 39 39 THR CB C 39 70.474 70.474 71.371 -0.897 18463 1729 1 14 . 1 1 39 39 THR H H 39 9.272 9.272 9.220 0.052 18463 1730 1 14 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.573 0.894 18463 1731 1 14 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.817 -5.752 18463 1732 1 14 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.772 6.314 18463 1733 1 14 . 1 1 40 40 CYS H H 40 8.658 8.658 8.888 -0.230 18463 1734 1 14 . 1 1 41 41 SER HA H 41 4.771 4.771 4.942 -0.171 18463 1735 1 14 . 1 1 41 41 SER CB C 41 66.158 66.158 64.489 1.669 18463 1736 1 14 . 1 1 41 41 SER H H 41 8.680 8.680 8.488 0.192 18463 1737 1 15 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.196 -0.225 18463 1738 1 15 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.364 0.678 18463 1739 1 15 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.544 0.776 18463 1740 1 15 . 1 1 2 2 PHE H H 2 8.600 8.600 8.137 0.463 18463 1741 1 15 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.246 -0.373 18463 1742 1 15 . 1 1 3 3 GLY H H 3 8.004 8.004 8.415 -0.411 18463 1743 1 15 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.192 -0.419 18463 1744 1 15 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.610 9.177 18463 1745 1 15 . 1 1 4 4 CYS H H 4 7.575 7.575 7.686 -0.111 18463 1746 1 15 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.442 0.247 18463 1747 1 15 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.662 -0.553 18463 1748 1 15 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.591 2.792 18463 1749 1 15 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.844 1.750 18463 1750 1 15 . 1 1 6 6 GLY H H 6 8.907 8.907 8.468 0.439 18463 1751 1 15 . 1 1 7 7 ASP HA H 7 5.007 5.007 4.976 0.031 18463 1752 1 15 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.786 -0.310 18463 1753 1 15 . 1 1 7 7 ASP CB C 7 40.265 40.265 42.825 -2.560 18463 1754 1 15 . 1 1 7 7 ASP H H 7 8.466 8.466 8.336 0.130 18463 1755 1 15 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.328 -0.331 18463 1756 1 15 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.124 -0.225 18463 1757 1 15 . 1 1 8 8 ALA H H 8 8.560 8.560 8.687 -0.127 18463 1758 1 15 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.031 0.279 18463 1759 1 15 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.782 -1.303 18463 1760 1 15 . 1 1 9 9 TYR H H 9 8.432 8.432 8.938 -0.506 18463 1761 1 15 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.187 -0.243 18463 1762 1 15 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.786 -0.151 18463 1763 1 15 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.442 -0.083 18463 1764 1 15 . 1 1 10 10 GLN H H 10 7.861 7.861 8.315 -0.454 18463 1765 1 15 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.292 0.595 18463 1766 1 15 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.531 -2.973 18463 1767 1 15 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.428 10.446 18463 1768 1 15 . 1 1 11 11 CYS H H 11 7.341 7.341 8.212 -0.871 18463 1769 1 15 . 1 1 12 12 SER N N 12 117.382 117.382 116.777 0.605 18463 1770 1 15 . 1 1 12 12 SER HA H 12 3.692 3.692 3.916 -0.224 18463 1771 1 15 . 1 1 12 12 SER CB C 12 62.945 62.945 62.659 0.286 18463 1772 1 15 . 1 1 12 12 SER H H 12 8.513 8.513 8.311 0.202 18463 1773 1 15 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.717 0.113 18463 1774 1 15 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.327 -0.227 18463 1775 1 15 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.440 -0.140 18463 1776 1 15 . 1 1 13 13 GLU H H 13 8.199 8.199 7.852 0.347 18463 1777 1 15 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.044 0.223 18463 1778 1 15 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.222 -0.587 18463 1779 1 15 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.177 -2.102 18463 1780 1 15 . 1 1 14 14 HIS H H 14 8.250 8.250 8.098 0.152 18463 1781 1 15 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.696 0.048 18463 1782 1 15 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.467 -2.558 18463 1783 1 15 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.661 13.698 18463 1784 1 15 . 1 1 15 15 CYS H H 15 8.419 8.419 7.918 0.501 18463 1785 1 15 . 1 1 16 16 ARG HA H 16 3.595 3.595 4.031 -0.436 18463 1786 1 15 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.830 1.359 18463 1787 1 15 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.878 0.430 18463 1788 1 15 . 1 1 16 16 ARG H H 16 8.081 8.081 8.306 -0.225 18463 1789 1 15 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.095 -0.016 18463 1790 1 15 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.318 -0.158 18463 1791 1 15 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.251 -0.479 18463 1792 1 15 . 1 1 17 17 ALA H H 17 7.763 7.763 7.824 -0.061 18463 1793 1 15 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.044 -0.037 18463 1794 1 15 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.035 0.338 18463 1795 1 15 . 1 1 18 18 LEU H H 18 7.265 7.265 7.040 0.225 18463 1796 1 15 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.254 0.820 18463 1797 1 15 . 1 1 20 20 GLY H H 20 9.107 9.107 8.680 0.427 18463 1798 1 15 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.832 -0.301 18463 1799 1 15 . 1 1 21 21 GLY H H 21 8.671 8.671 8.142 0.529 18463 1800 1 15 . 1 1 22 22 ARG N N 22 119.872 119.872 121.698 -1.826 18463 1801 1 15 . 1 1 22 22 ARG HA H 22 3.993 3.993 3.819 0.174 18463 1802 1 15 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.894 0.721 18463 1803 1 15 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.659 1.065 18463 1804 1 15 . 1 1 22 22 ARG H H 22 6.965 6.965 7.447 -0.482 18463 1805 1 15 . 1 1 23 23 THR HA H 23 4.277 4.277 4.333 -0.056 18463 1806 1 15 . 1 1 23 23 THR CB C 23 70.344 70.344 69.745 0.600 18463 1807 1 15 . 1 1 23 23 THR H H 23 8.837 8.837 8.169 0.668 18463 1808 1 15 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.114 0.043 18463 1809 1 15 . 1 1 24 24 GLY H H 24 7.354 7.354 7.264 0.090 18463 1810 1 15 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.080 1.721 18463 1811 1 15 . 1 1 25 25 GLY H H 25 8.054 8.054 7.673 0.381 18463 1812 1 15 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.961 -0.187 18463 1813 1 15 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.272 -2.551 18463 1814 1 15 . 1 1 26 26 TYR H H 26 8.932 8.932 8.991 -0.059 18463 1815 1 15 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.655 -0.467 18463 1816 1 15 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.834 -4.981 18463 1817 1 15 . 1 1 27 27 CYS CB C 27 37.300 37.300 29.512 7.788 18463 1818 1 15 . 1 1 27 27 CYS H H 27 8.753 8.753 8.698 0.055 18463 1819 1 15 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.951 -0.297 18463 1820 1 15 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.531 0.072 18463 1821 1 15 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.203 -1.445 18463 1822 1 15 . 1 1 28 28 ALA H H 28 9.122 9.122 9.169 -0.047 18463 1823 1 15 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.503 0.205 18463 1824 1 15 . 1 1 29 29 GLY H H 29 8.548 8.548 8.359 0.189 18463 1825 1 15 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.361 -0.013 18463 1826 1 15 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.305 -0.465 18463 1827 1 15 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.455 0.345 18463 1828 1 15 . 1 1 31 31 TRP CB C 31 27.706 27.706 28.906 -1.200 18463 1829 1 15 . 1 1 31 31 TRP H H 31 9.002 9.002 8.539 0.463 18463 1830 1 15 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.708 -0.826 18463 1831 1 15 . 1 1 32 32 TYR CA C 32 58.010 58.010 55.500 2.510 18463 1832 1 15 . 1 1 32 32 TYR CB C 32 35.410 35.410 40.055 -4.645 18463 1833 1 15 . 1 1 32 32 TYR H H 32 6.367 6.367 7.156 -0.789 18463 1834 1 15 . 1 1 33 33 LEU HA H 33 4.450 4.450 3.960 0.490 18463 1835 1 15 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.109 -1.421 18463 1836 1 15 . 1 1 33 33 LEU CB C 33 42.778 42.778 41.760 1.018 18463 1837 1 15 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.190 0.620 18463 1838 1 15 . 1 1 34 34 GLY H H 34 7.632 7.632 8.210 -0.578 18463 1839 1 15 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.972 -1.267 18463 1840 1 15 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.755 -3.991 18463 1841 1 15 . 1 1 35 35 HIS H H 35 7.334 7.334 8.461 -1.127 18463 1842 1 15 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.576 -0.702 18463 1843 1 15 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.430 0.642 18463 1844 1 15 . 1 1 37 37 THR HA H 37 4.356 4.356 4.387 -0.031 18463 1845 1 15 . 1 1 37 37 THR CB C 37 69.525 69.525 69.295 0.230 18463 1846 1 15 . 1 1 37 37 THR H H 37 8.185 8.185 8.071 0.114 18463 1847 1 15 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.926 0.100 18463 1848 1 15 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.733 -1.683 18463 1849 1 15 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.556 6.365 18463 1850 1 15 . 1 1 38 38 CYS H H 38 9.046 9.046 9.091 -0.045 18463 1851 1 15 . 1 1 39 39 THR HA H 39 4.277 4.277 4.649 -0.372 18463 1852 1 15 . 1 1 39 39 THR CB C 39 70.474 70.474 70.490 -0.016 18463 1853 1 15 . 1 1 39 39 THR H H 39 9.272 9.272 9.060 0.212 18463 1854 1 15 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.484 0.983 18463 1855 1 15 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.633 -5.568 18463 1856 1 15 . 1 1 40 40 CYS CB C 40 35.086 35.086 29.023 6.063 18463 1857 1 15 . 1 1 40 40 CYS H H 40 8.658 8.658 8.825 -0.167 18463 1858 1 15 . 1 1 41 41 SER HA H 41 4.771 4.771 4.988 -0.217 18463 1859 1 15 . 1 1 41 41 SER CB C 41 66.158 66.158 64.393 1.765 18463 1860 1 15 . 1 1 41 41 SER H H 41 8.680 8.680 8.482 0.198 18463 1861 1 16 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.163 -0.192 18463 1862 1 16 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.192 0.850 18463 1863 1 16 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.504 0.816 18463 1864 1 16 . 1 1 2 2 PHE H H 2 8.600 8.600 8.161 0.439 18463 1865 1 16 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.084 -0.211 18463 1866 1 16 . 1 1 3 3 GLY H H 3 8.004 8.004 8.259 -0.255 18463 1867 1 16 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.159 -0.386 18463 1868 1 16 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.172 9.614 18463 1869 1 16 . 1 1 4 4 CYS H H 4 7.575 7.575 7.698 -0.123 18463 1870 1 16 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.482 0.207 18463 1871 1 16 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.453 -0.343 18463 1872 1 16 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.600 2.783 18463 1873 1 16 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.822 1.772 18463 1874 1 16 . 1 1 6 6 GLY H H 6 8.907 8.907 8.506 0.401 18463 1875 1 16 . 1 1 7 7 ASP HA H 7 5.007 5.007 5.010 -0.003 18463 1876 1 16 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.609 -0.133 18463 1877 1 16 . 1 1 7 7 ASP CB C 7 40.265 40.265 42.565 -2.300 18463 1878 1 16 . 1 1 7 7 ASP H H 7 8.466 8.466 8.294 0.172 18463 1879 1 16 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.390 -0.393 18463 1880 1 16 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.238 -0.339 18463 1881 1 16 . 1 1 8 8 ALA H H 8 8.560 8.560 8.768 -0.208 18463 1882 1 16 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.062 0.248 18463 1883 1 16 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.764 -1.285 18463 1884 1 16 . 1 1 9 9 TYR H H 9 8.432 8.432 8.838 -0.406 18463 1885 1 16 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.027 -0.083 18463 1886 1 16 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.876 -0.241 18463 1887 1 16 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.428 -0.069 18463 1888 1 16 . 1 1 10 10 GLN H H 10 7.861 7.861 9.078 -1.217 18463 1889 1 16 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.303 0.584 18463 1890 1 16 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.589 -3.030 18463 1891 1 16 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.362 10.512 18463 1892 1 16 . 1 1 11 11 CYS H H 11 7.341 7.341 8.223 -0.882 18463 1893 1 16 . 1 1 12 12 SER N N 12 117.382 117.382 116.636 0.746 18463 1894 1 16 . 1 1 12 12 SER HA H 12 3.692 3.692 3.931 -0.239 18463 1895 1 16 . 1 1 12 12 SER CB C 12 62.945 62.945 62.685 0.260 18463 1896 1 16 . 1 1 12 12 SER H H 12 8.513 8.513 8.192 0.321 18463 1897 1 16 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.732 0.098 18463 1898 1 16 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.437 -0.337 18463 1899 1 16 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.477 -0.177 18463 1900 1 16 . 1 1 13 13 GLU H H 13 8.199 8.199 7.997 0.202 18463 1901 1 16 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.066 0.201 18463 1902 1 16 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.279 -0.644 18463 1903 1 16 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.278 -2.203 18463 1904 1 16 . 1 1 14 14 HIS H H 14 8.250 8.250 8.204 0.046 18463 1905 1 16 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.702 0.042 18463 1906 1 16 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.543 -2.635 18463 1907 1 16 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.652 13.707 18463 1908 1 16 . 1 1 15 15 CYS H H 15 8.419 8.419 7.873 0.546 18463 1909 1 16 . 1 1 16 16 ARG HA H 16 3.595 3.595 4.044 -0.449 18463 1910 1 16 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.877 1.312 18463 1911 1 16 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.874 0.434 18463 1912 1 16 . 1 1 16 16 ARG H H 16 8.081 8.081 8.238 -0.157 18463 1913 1 16 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.087 -0.008 18463 1914 1 16 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.389 -0.229 18463 1915 1 16 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.210 -0.438 18463 1916 1 16 . 1 1 17 17 ALA H H 17 7.763 7.763 7.867 -0.104 18463 1917 1 16 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.019 -0.012 18463 1918 1 16 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.016 0.357 18463 1919 1 16 . 1 1 18 18 LEU H H 18 7.265 7.265 7.005 0.260 18463 1920 1 16 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.307 0.767 18463 1921 1 16 . 1 1 20 20 GLY H H 20 9.107 9.107 8.700 0.407 18463 1922 1 16 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.797 -0.266 18463 1923 1 16 . 1 1 21 21 GLY H H 21 8.671 8.671 8.117 0.554 18463 1924 1 16 . 1 1 22 22 ARG N N 22 119.872 119.872 121.786 -1.914 18463 1925 1 16 . 1 1 22 22 ARG HA H 22 3.993 3.993 4.022 -0.029 18463 1926 1 16 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.850 0.765 18463 1927 1 16 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.767 0.957 18463 1928 1 16 . 1 1 22 22 ARG H H 22 6.965 6.965 7.521 -0.556 18463 1929 1 16 . 1 1 23 23 THR HA H 23 4.277 4.277 4.313 -0.036 18463 1930 1 16 . 1 1 23 23 THR CB C 23 70.344 70.344 69.635 0.709 18463 1931 1 16 . 1 1 23 23 THR H H 23 8.837 8.837 8.127 0.710 18463 1932 1 16 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.182 -0.025 18463 1933 1 16 . 1 1 24 24 GLY H H 24 7.354 7.354 7.205 0.149 18463 1934 1 16 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.059 1.742 18463 1935 1 16 . 1 1 25 25 GLY H H 25 8.054 8.054 7.741 0.313 18463 1936 1 16 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.952 -0.178 18463 1937 1 16 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.332 -2.611 18463 1938 1 16 . 1 1 26 26 TYR H H 26 8.932 8.932 8.962 -0.030 18463 1939 1 16 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.618 -0.430 18463 1940 1 16 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.775 -4.923 18463 1941 1 16 . 1 1 27 27 CYS CB C 27 37.300 37.300 29.333 7.967 18463 1942 1 16 . 1 1 27 27 CYS H H 27 8.753 8.753 8.688 0.065 18463 1943 1 16 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.705 -0.051 18463 1944 1 16 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.207 0.396 18463 1945 1 16 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.153 -1.395 18463 1946 1 16 . 1 1 28 28 ALA H H 28 9.122 9.122 9.130 -0.008 18463 1947 1 16 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.590 0.117 18463 1948 1 16 . 1 1 29 29 GLY H H 29 8.548 8.548 8.340 0.208 18463 1949 1 16 . 1 1 30 30 PRO HA H 30 4.348 4.348 3.990 0.358 18463 1950 1 16 . 1 1 30 30 PRO CB C 30 31.840 31.840 31.968 -0.128 18463 1951 1 16 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.533 0.267 18463 1952 1 16 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.044 -1.338 18463 1953 1 16 . 1 1 31 31 TRP H H 31 9.002 9.002 7.588 1.414 18463 1954 1 16 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.688 -0.806 18463 1955 1 16 . 1 1 32 32 TYR CA C 32 58.010 58.010 56.161 1.849 18463 1956 1 16 . 1 1 32 32 TYR CB C 32 35.410 35.410 39.294 -3.884 18463 1957 1 16 . 1 1 32 32 TYR H H 32 6.367 6.367 7.019 -0.652 18463 1958 1 16 . 1 1 33 33 LEU HA H 33 4.450 4.450 3.994 0.456 18463 1959 1 16 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.222 -1.534 18463 1960 1 16 . 1 1 33 33 LEU CB C 33 42.778 42.778 41.997 0.781 18463 1961 1 16 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.332 0.478 18463 1962 1 16 . 1 1 34 34 GLY H H 34 7.632 7.632 8.299 -0.667 18463 1963 1 16 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.960 -1.255 18463 1964 1 16 . 1 1 35 35 HIS CB C 35 25.764 25.764 30.123 -4.359 18463 1965 1 16 . 1 1 35 35 HIS H H 35 7.334 7.334 8.334 -1.000 18463 1966 1 16 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.498 -0.624 18463 1967 1 16 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.647 0.425 18463 1968 1 16 . 1 1 37 37 THR HA H 37 4.356 4.356 4.465 -0.109 18463 1969 1 16 . 1 1 37 37 THR CB C 37 69.525 69.525 69.116 0.409 18463 1970 1 16 . 1 1 37 37 THR H H 37 8.185 8.185 8.234 -0.049 18463 1971 1 16 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.871 0.155 18463 1972 1 16 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.835 -1.785 18463 1973 1 16 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.232 6.689 18463 1974 1 16 . 1 1 38 38 CYS H H 38 9.046 9.046 9.124 -0.078 18463 1975 1 16 . 1 1 39 39 THR HA H 39 4.277 4.277 4.627 -0.350 18463 1976 1 16 . 1 1 39 39 THR CB C 39 70.474 70.474 70.580 -0.106 18463 1977 1 16 . 1 1 39 39 THR H H 39 9.272 9.272 9.055 0.217 18463 1978 1 16 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.545 0.922 18463 1979 1 16 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.642 -5.577 18463 1980 1 16 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.831 6.255 18463 1981 1 16 . 1 1 40 40 CYS H H 40 8.658 8.658 8.794 -0.136 18463 1982 1 16 . 1 1 41 41 SER HA H 41 4.771 4.771 4.948 -0.177 18463 1983 1 16 . 1 1 41 41 SER CB C 41 66.158 66.158 64.378 1.780 18463 1984 1 16 . 1 1 41 41 SER H H 41 8.680 8.680 8.446 0.234 18463 1985 1 17 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.191 -0.220 18463 1986 1 17 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.217 0.825 18463 1987 1 17 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.420 0.900 18463 1988 1 17 . 1 1 2 2 PHE H H 2 8.600 8.600 8.105 0.495 18463 1989 1 17 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.135 -0.262 18463 1990 1 17 . 1 1 3 3 GLY H H 3 8.004 8.004 8.406 -0.402 18463 1991 1 17 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.198 -0.425 18463 1992 1 17 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.636 9.151 18463 1993 1 17 . 1 1 4 4 CYS H H 4 7.575 7.575 7.750 -0.175 18463 1994 1 17 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.432 0.257 18463 1995 1 17 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.707 -0.598 18463 1996 1 17 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.291 3.092 18463 1997 1 17 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.865 1.729 18463 1998 1 17 . 1 1 6 6 GLY H H 6 8.907 8.907 8.304 0.603 18463 1999 1 17 . 1 1 7 7 ASP HA H 7 5.007 5.007 4.991 0.016 18463 2000 1 17 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.544 -0.067 18463 2001 1 17 . 1 1 7 7 ASP CB C 7 40.265 40.265 42.521 -2.256 18463 2002 1 17 . 1 1 7 7 ASP H H 7 8.466 8.466 8.284 0.182 18463 2003 1 17 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.417 -0.420 18463 2004 1 17 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.320 -0.421 18463 2005 1 17 . 1 1 8 8 ALA H H 8 8.560 8.560 8.747 -0.187 18463 2006 1 17 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.042 0.268 18463 2007 1 17 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.783 -1.304 18463 2008 1 17 . 1 1 9 9 TYR H H 9 8.432 8.432 8.869 -0.437 18463 2009 1 17 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.057 -0.113 18463 2010 1 17 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.849 -0.214 18463 2011 1 17 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.428 -0.069 18463 2012 1 17 . 1 1 10 10 GLN H H 10 7.861 7.861 9.104 -1.243 18463 2013 1 17 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.290 0.597 18463 2014 1 17 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.588 -3.030 18463 2015 1 17 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.355 10.519 18463 2016 1 17 . 1 1 11 11 CYS H H 11 7.341 7.341 8.288 -0.947 18463 2017 1 17 . 1 1 12 12 SER N N 12 117.382 117.382 116.504 0.878 18463 2018 1 17 . 1 1 12 12 SER HA H 12 3.692 3.692 3.932 -0.240 18463 2019 1 17 . 1 1 12 12 SER CB C 12 62.945 62.945 62.678 0.267 18463 2020 1 17 . 1 1 12 12 SER H H 12 8.513 8.513 8.146 0.367 18463 2021 1 17 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.703 0.127 18463 2022 1 17 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.366 -0.266 18463 2023 1 17 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.420 -0.120 18463 2024 1 17 . 1 1 13 13 GLU H H 13 8.199 8.199 7.870 0.329 18463 2025 1 17 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.103 0.164 18463 2026 1 17 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.311 -0.676 18463 2027 1 17 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.317 -2.242 18463 2028 1 17 . 1 1 14 14 HIS H H 14 8.250 8.250 8.233 0.017 18463 2029 1 17 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.693 0.051 18463 2030 1 17 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.569 -2.660 18463 2031 1 17 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.613 13.746 18463 2032 1 17 . 1 1 15 15 CYS H H 15 8.419 8.419 7.774 0.645 18463 2033 1 17 . 1 1 16 16 ARG HA H 16 3.595 3.595 3.900 -0.305 18463 2034 1 17 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.917 1.272 18463 2035 1 17 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.872 0.436 18463 2036 1 17 . 1 1 16 16 ARG H H 16 8.081 8.081 8.331 -0.249 18463 2037 1 17 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.082 -0.003 18463 2038 1 17 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.431 -0.271 18463 2039 1 17 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.205 -0.433 18463 2040 1 17 . 1 1 17 17 ALA H H 17 7.763 7.763 7.877 -0.114 18463 2041 1 17 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.013 -0.006 18463 2042 1 17 . 1 1 18 18 LEU CB C 18 42.373 42.373 41.994 0.379 18463 2043 1 17 . 1 1 18 18 LEU H H 18 7.265 7.265 6.984 0.281 18463 2044 1 17 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.290 0.784 18463 2045 1 17 . 1 1 20 20 GLY H H 20 9.107 9.107 8.700 0.407 18463 2046 1 17 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.790 -0.259 18463 2047 1 17 . 1 1 21 21 GLY H H 21 8.671 8.671 8.113 0.558 18463 2048 1 17 . 1 1 22 22 ARG N N 22 119.872 119.872 121.788 -1.916 18463 2049 1 17 . 1 1 22 22 ARG HA H 22 3.993 3.993 4.069 -0.076 18463 2050 1 17 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.747 0.868 18463 2051 1 17 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.852 0.872 18463 2052 1 17 . 1 1 22 22 ARG H H 22 6.965 6.965 7.555 -0.590 18463 2053 1 17 . 1 1 23 23 THR HA H 23 4.277 4.277 4.257 0.020 18463 2054 1 17 . 1 1 23 23 THR CB C 23 70.344 70.344 69.577 0.767 18463 2055 1 17 . 1 1 23 23 THR H H 23 8.837 8.837 8.228 0.609 18463 2056 1 17 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.132 0.025 18463 2057 1 17 . 1 1 24 24 GLY H H 24 7.354 7.354 7.188 0.166 18463 2058 1 17 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.112 1.689 18463 2059 1 17 . 1 1 25 25 GLY H H 25 8.054 8.054 7.698 0.356 18463 2060 1 17 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.938 -0.164 18463 2061 1 17 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.459 -2.738 18463 2062 1 17 . 1 1 26 26 TYR H H 26 8.932 8.932 8.923 0.009 18463 2063 1 17 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.513 -0.325 18463 2064 1 17 . 1 1 27 27 CYS CA C 27 52.852 52.852 58.142 -5.290 18463 2065 1 17 . 1 1 27 27 CYS CB C 27 37.300 37.300 28.292 9.008 18463 2066 1 17 . 1 1 27 27 CYS H H 27 8.753 8.753 8.809 -0.056 18463 2067 1 17 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.621 0.033 18463 2068 1 17 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.499 0.104 18463 2069 1 17 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.042 -1.284 18463 2070 1 17 . 1 1 28 28 ALA H H 28 9.122 9.122 9.092 0.030 18463 2071 1 17 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.442 0.266 18463 2072 1 17 . 1 1 29 29 GLY H H 29 8.548 8.548 8.306 0.242 18463 2073 1 17 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.235 0.113 18463 2074 1 17 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.193 -0.353 18463 2075 1 17 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.456 0.344 18463 2076 1 17 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.233 -1.527 18463 2077 1 17 . 1 1 31 31 TRP H H 31 9.002 9.002 8.209 0.793 18463 2078 1 17 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.824 -0.942 18463 2079 1 17 . 1 1 32 32 TYR CA C 32 58.010 58.010 55.367 2.643 18463 2080 1 17 . 1 1 32 32 TYR CB C 32 35.410 35.410 40.193 -4.783 18463 2081 1 17 . 1 1 32 32 TYR H H 32 6.367 6.367 6.804 -0.437 18463 2082 1 17 . 1 1 33 33 LEU HA H 33 4.450 4.450 4.007 0.443 18463 2083 1 17 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.037 -1.349 18463 2084 1 17 . 1 1 33 33 LEU CB C 33 42.778 42.778 42.022 0.756 18463 2085 1 17 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.252 0.559 18463 2086 1 17 . 1 1 34 34 GLY H H 34 7.632 7.632 8.318 -0.686 18463 2087 1 17 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.962 -1.257 18463 2088 1 17 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.983 -4.219 18463 2089 1 17 . 1 1 35 35 HIS H H 35 7.334 7.334 8.329 -0.995 18463 2090 1 17 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.550 -0.676 18463 2091 1 17 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.548 0.524 18463 2092 1 17 . 1 1 37 37 THR HA H 37 4.356 4.356 4.445 -0.089 18463 2093 1 17 . 1 1 37 37 THR CB C 37 69.525 69.525 69.201 0.324 18463 2094 1 17 . 1 1 37 37 THR H H 37 8.185 8.185 8.086 0.099 18463 2095 1 17 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.851 0.175 18463 2096 1 17 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.805 -1.755 18463 2097 1 17 . 1 1 38 38 CYS CB C 38 34.921 34.921 27.977 6.944 18463 2098 1 17 . 1 1 38 38 CYS H H 38 9.046 9.046 9.163 -0.117 18463 2099 1 17 . 1 1 39 39 THR HA H 39 4.277 4.277 4.638 -0.361 18463 2100 1 17 . 1 1 39 39 THR CB C 39 70.474 70.474 70.306 0.168 18463 2101 1 17 . 1 1 39 39 THR H H 39 9.272 9.272 9.102 0.170 18463 2102 1 17 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.549 0.918 18463 2103 1 17 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.667 -5.602 18463 2104 1 17 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.757 6.329 18463 2105 1 17 . 1 1 40 40 CYS H H 40 8.658 8.658 8.813 -0.155 18463 2106 1 17 . 1 1 41 41 SER HA H 41 4.771 4.771 4.972 -0.201 18463 2107 1 17 . 1 1 41 41 SER CB C 41 66.158 66.158 64.393 1.765 18463 2108 1 17 . 1 1 41 41 SER H H 41 8.680 8.680 8.515 0.165 18463 2109 1 18 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.141 -0.170 18463 2110 1 18 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.301 0.741 18463 2111 1 18 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.440 0.881 18463 2112 1 18 . 1 1 2 2 PHE H H 2 8.600 8.600 8.091 0.509 18463 2113 1 18 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.068 -0.195 18463 2114 1 18 . 1 1 3 3 GLY H H 3 8.004 8.004 8.420 -0.416 18463 2115 1 18 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.063 -0.290 18463 2116 1 18 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.341 9.446 18463 2117 1 18 . 1 1 4 4 CYS H H 4 7.575 7.575 7.746 -0.171 18463 2118 1 18 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.468 0.221 18463 2119 1 18 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.816 -0.707 18463 2120 1 18 . 1 1 5 5 PRO CB C 5 35.383 35.383 31.781 3.602 18463 2121 1 18 . 1 1 6 6 GLY CA C 6 46.594 46.594 45.439 1.155 18463 2122 1 18 . 1 1 6 6 GLY H H 6 8.907 8.907 8.222 0.685 18463 2123 1 18 . 1 1 7 7 ASP HA H 7 5.007 5.007 4.936 0.071 18463 2124 1 18 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.597 -0.121 18463 2125 1 18 . 1 1 7 7 ASP CB C 7 40.265 40.265 40.462 -0.197 18463 2126 1 18 . 1 1 7 7 ASP H H 7 8.466 8.466 8.050 0.416 18463 2127 1 18 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.146 -0.149 18463 2128 1 18 . 1 1 8 8 ALA CB C 8 18.899 18.899 18.937 -0.038 18463 2129 1 18 . 1 1 8 8 ALA H H 8 8.560 8.560 8.337 0.223 18463 2130 1 18 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.066 0.244 18463 2131 1 18 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.750 -1.271 18463 2132 1 18 . 1 1 9 9 TYR H H 9 8.432 8.432 8.641 -0.209 18463 2133 1 18 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.100 -0.156 18463 2134 1 18 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.815 -0.180 18463 2135 1 18 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.466 -0.107 18463 2136 1 18 . 1 1 10 10 GLN H H 10 7.861 7.861 8.407 -0.546 18463 2137 1 18 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.250 0.637 18463 2138 1 18 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.833 -3.275 18463 2139 1 18 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.445 10.430 18463 2140 1 18 . 1 1 11 11 CYS H H 11 7.341 7.341 7.756 -0.415 18463 2141 1 18 . 1 1 12 12 SER N N 12 117.382 117.382 116.500 0.882 18463 2142 1 18 . 1 1 12 12 SER HA H 12 3.692 3.692 3.875 -0.183 18463 2143 1 18 . 1 1 12 12 SER CB C 12 62.945 62.945 62.587 0.359 18463 2144 1 18 . 1 1 12 12 SER H H 12 8.513 8.513 8.046 0.467 18463 2145 1 18 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.729 0.101 18463 2146 1 18 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.437 -0.337 18463 2147 1 18 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.487 -0.187 18463 2148 1 18 . 1 1 13 13 GLU H H 13 8.199 8.199 7.942 0.257 18463 2149 1 18 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.122 0.145 18463 2150 1 18 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.273 -0.638 18463 2151 1 18 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.361 -2.286 18463 2152 1 18 . 1 1 14 14 HIS H H 14 8.250 8.250 8.076 0.174 18463 2153 1 18 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.685 0.059 18463 2154 1 18 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.545 -2.637 18463 2155 1 18 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.601 13.758 18463 2156 1 18 . 1 1 15 15 CYS H H 15 8.419 8.419 7.955 0.464 18463 2157 1 18 . 1 1 16 16 ARG HA H 16 3.595 3.595 4.061 -0.466 18463 2158 1 18 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.913 1.276 18463 2159 1 18 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.876 0.432 18463 2160 1 18 . 1 1 16 16 ARG H H 16 8.081 8.081 8.312 -0.231 18463 2161 1 18 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.090 -0.011 18463 2162 1 18 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.382 -0.222 18463 2163 1 18 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.215 -0.443 18463 2164 1 18 . 1 1 17 17 ALA H H 17 7.763 7.763 7.750 0.013 18463 2165 1 18 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.024 -0.017 18463 2166 1 18 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.028 0.345 18463 2167 1 18 . 1 1 18 18 LEU H H 18 7.265 7.265 6.997 0.268 18463 2168 1 18 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.327 0.747 18463 2169 1 18 . 1 1 20 20 GLY H H 20 9.107 9.107 8.695 0.412 18463 2170 1 18 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.819 -0.288 18463 2171 1 18 . 1 1 21 21 GLY H H 21 8.671 8.671 8.127 0.544 18463 2172 1 18 . 1 1 22 22 ARG N N 22 119.872 119.872 121.775 -1.903 18463 2173 1 18 . 1 1 22 22 ARG HA H 22 3.993 3.993 4.087 -0.094 18463 2174 1 18 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.813 0.802 18463 2175 1 18 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.819 0.905 18463 2176 1 18 . 1 1 22 22 ARG H H 22 6.965 6.965 7.512 -0.547 18463 2177 1 18 . 1 1 23 23 THR HA H 23 4.277 4.277 4.316 -0.039 18463 2178 1 18 . 1 1 23 23 THR CB C 23 70.344 70.344 69.694 0.650 18463 2179 1 18 . 1 1 23 23 THR H H 23 8.837 8.837 8.165 0.672 18463 2180 1 18 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.191 -0.035 18463 2181 1 18 . 1 1 24 24 GLY H H 24 7.354 7.354 7.262 0.092 18463 2182 1 18 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.227 1.573 18463 2183 1 18 . 1 1 25 25 GLY H H 25 8.054 8.054 7.629 0.425 18463 2184 1 18 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.892 -0.118 18463 2185 1 18 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.808 -3.087 18463 2186 1 18 . 1 1 26 26 TYR H H 26 8.932 8.932 8.924 0.008 18463 2187 1 18 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.687 -0.499 18463 2188 1 18 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.857 -5.005 18463 2189 1 18 . 1 1 27 27 CYS CB C 27 37.300 37.300 29.465 7.835 18463 2190 1 18 . 1 1 27 27 CYS H H 27 8.753 8.753 8.746 0.007 18463 2191 1 18 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.816 -0.162 18463 2192 1 18 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.600 0.003 18463 2193 1 18 . 1 1 28 28 ALA CB C 28 20.758 20.758 21.932 -1.174 18463 2194 1 18 . 1 1 28 28 ALA H H 28 9.122 9.122 9.089 0.033 18463 2195 1 18 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.403 0.305 18463 2196 1 18 . 1 1 29 29 GLY H H 29 8.548 8.548 8.301 0.247 18463 2197 1 18 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.046 0.302 18463 2198 1 18 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.077 -0.237 18463 2199 1 18 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.449 0.351 18463 2200 1 18 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.081 -1.375 18463 2201 1 18 . 1 1 31 31 TRP H H 31 9.002 9.002 7.954 1.048 18463 2202 1 18 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.799 -0.917 18463 2203 1 18 . 1 1 32 32 TYR CA C 32 58.010 58.010 55.382 2.628 18463 2204 1 18 . 1 1 32 32 TYR CB C 32 35.410 35.410 40.172 -4.762 18463 2205 1 18 . 1 1 32 32 TYR H H 32 6.367 6.367 6.776 -0.409 18463 2206 1 18 . 1 1 33 33 LEU HA H 33 4.450 4.450 3.976 0.474 18463 2207 1 18 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.565 -1.877 18463 2208 1 18 . 1 1 33 33 LEU CB C 33 42.778 42.778 41.448 1.330 18463 2209 1 18 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.354 0.456 18463 2210 1 18 . 1 1 34 34 GLY H H 34 7.632 7.632 8.124 -0.492 18463 2211 1 18 . 1 1 35 35 HIS HA H 35 3.705 3.705 5.007 -1.302 18463 2212 1 18 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.788 -4.024 18463 2213 1 18 . 1 1 35 35 HIS H H 35 7.334 7.334 8.329 -0.995 18463 2214 1 18 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.376 -0.502 18463 2215 1 18 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.918 0.154 18463 2216 1 18 . 1 1 37 37 THR HA H 37 4.356 4.356 4.393 -0.037 18463 2217 1 18 . 1 1 37 37 THR CB C 37 69.525 69.525 69.227 0.298 18463 2218 1 18 . 1 1 37 37 THR H H 37 8.185 8.185 8.036 0.149 18463 2219 1 18 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.772 0.254 18463 2220 1 18 . 1 1 38 38 CYS CA C 38 57.050 57.050 59.119 -2.069 18463 2221 1 18 . 1 1 38 38 CYS CB C 38 34.921 34.921 27.811 7.110 18463 2222 1 18 . 1 1 38 38 CYS H H 38 9.046 9.046 9.149 -0.103 18463 2223 1 18 . 1 1 39 39 THR HA H 39 4.277 4.277 4.697 -0.420 18463 2224 1 18 . 1 1 39 39 THR CB C 39 70.474 70.474 71.622 -1.148 18463 2225 1 18 . 1 1 39 39 THR H H 39 9.272 9.272 9.205 0.067 18463 2226 1 18 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.619 0.848 18463 2227 1 18 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.967 -5.902 18463 2228 1 18 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.659 6.427 18463 2229 1 18 . 1 1 40 40 CYS H H 40 8.658 8.658 8.894 -0.236 18463 2230 1 18 . 1 1 41 41 SER HA H 41 4.771 4.771 4.971 -0.200 18463 2231 1 18 . 1 1 41 41 SER CB C 41 66.158 66.158 64.552 1.605 18463 2232 1 18 . 1 1 41 41 SER H H 41 8.680 8.680 8.573 0.107 18463 2233 1 19 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.130 -0.159 18463 2234 1 19 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.209 0.833 18463 2235 1 19 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.294 1.026 18463 2236 1 19 . 1 1 2 2 PHE H H 2 8.600 8.600 8.082 0.518 18463 2237 1 19 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.112 -0.239 18463 2238 1 19 . 1 1 3 3 GLY H H 3 8.004 8.004 8.276 -0.272 18463 2239 1 19 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.153 -0.380 18463 2240 1 19 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.228 9.559 18463 2241 1 19 . 1 1 4 4 CYS H H 4 7.575 7.575 7.709 -0.134 18463 2242 1 19 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.478 0.211 18463 2243 1 19 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.562 -0.453 18463 2244 1 19 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.596 2.787 18463 2245 1 19 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.833 1.761 18463 2246 1 19 . 1 1 6 6 GLY H H 6 8.907 8.907 8.543 0.364 18463 2247 1 19 . 1 1 7 7 ASP HA H 7 5.007 5.007 5.005 0.002 18463 2248 1 19 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.766 -0.289 18463 2249 1 19 . 1 1 7 7 ASP CB C 7 40.265 40.265 42.661 -2.396 18463 2250 1 19 . 1 1 7 7 ASP H H 7 8.466 8.466 8.255 0.211 18463 2251 1 19 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.374 -0.377 18463 2252 1 19 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.137 -0.239 18463 2253 1 19 . 1 1 8 8 ALA H H 8 8.560 8.560 8.768 -0.208 18463 2254 1 19 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.049 0.261 18463 2255 1 19 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.820 -1.341 18463 2256 1 19 . 1 1 9 9 TYR H H 9 8.432 8.432 8.867 -0.435 18463 2257 1 19 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.189 -0.245 18463 2258 1 19 . 1 1 10 10 GLN CA C 10 58.635 58.635 59.052 -0.417 18463 2259 1 19 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.487 -0.128 18463 2260 1 19 . 1 1 10 10 GLN H H 10 7.861 7.861 8.950 -1.089 18463 2261 1 19 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.295 0.592 18463 2262 1 19 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.539 -2.982 18463 2263 1 19 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.398 10.476 18463 2264 1 19 . 1 1 11 11 CYS H H 11 7.341 7.341 8.112 -0.771 18463 2265 1 19 . 1 1 12 12 SER N N 12 117.382 117.382 116.797 0.585 18463 2266 1 19 . 1 1 12 12 SER HA H 12 3.692 3.692 3.931 -0.239 18463 2267 1 19 . 1 1 12 12 SER CB C 12 62.945 62.945 62.650 0.295 18463 2268 1 19 . 1 1 12 12 SER H H 12 8.513 8.513 8.342 0.171 18463 2269 1 19 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.758 0.072 18463 2270 1 19 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.353 -0.253 18463 2271 1 19 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.515 -0.215 18463 2272 1 19 . 1 1 13 13 GLU H H 13 8.199 8.199 8.068 0.131 18463 2273 1 19 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.134 0.133 18463 2274 1 19 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.340 -0.705 18463 2275 1 19 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.410 -2.335 18463 2276 1 19 . 1 1 14 14 HIS H H 14 8.250 8.250 8.106 0.144 18463 2277 1 19 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.768 -0.024 18463 2278 1 19 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.654 -2.747 18463 2279 1 19 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.639 13.720 18463 2280 1 19 . 1 1 15 15 CYS H H 15 8.419 8.419 8.065 0.354 18463 2281 1 19 . 1 1 16 16 ARG HA H 16 3.595 3.595 4.061 -0.466 18463 2282 1 19 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.896 1.293 18463 2283 1 19 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.901 0.407 18463 2284 1 19 . 1 1 16 16 ARG H H 16 8.081 8.081 8.310 -0.229 18463 2285 1 19 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.118 -0.039 18463 2286 1 19 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.335 -0.175 18463 2287 1 19 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.273 -0.501 18463 2288 1 19 . 1 1 17 17 ALA H H 17 7.763 7.763 7.715 0.048 18463 2289 1 19 . 1 1 18 18 LEU HA H 18 4.007 4.007 3.982 0.025 18463 2290 1 19 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.003 0.370 18463 2291 1 19 . 1 1 18 18 LEU H H 18 7.265 7.265 7.139 0.126 18463 2292 1 19 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.301 0.773 18463 2293 1 19 . 1 1 20 20 GLY H H 20 9.107 9.107 8.702 0.405 18463 2294 1 19 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.810 -0.279 18463 2295 1 19 . 1 1 21 21 GLY H H 21 8.671 8.671 8.088 0.583 18463 2296 1 19 . 1 1 22 22 ARG N N 22 119.872 119.872 121.456 -1.584 18463 2297 1 19 . 1 1 22 22 ARG HA H 22 3.993 3.993 4.004 -0.011 18463 2298 1 19 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.722 0.893 18463 2299 1 19 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.887 0.837 18463 2300 1 19 . 1 1 22 22 ARG H H 22 6.965 6.965 7.564 -0.599 18463 2301 1 19 . 1 1 23 23 THR HA H 23 4.277 4.277 4.374 -0.097 18463 2302 1 19 . 1 1 23 23 THR CB C 23 70.344 70.344 69.685 0.659 18463 2303 1 19 . 1 1 23 23 THR H H 23 8.837 8.837 8.133 0.704 18463 2304 1 19 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.113 0.044 18463 2305 1 19 . 1 1 24 24 GLY H H 24 7.354 7.354 7.248 0.106 18463 2306 1 19 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.038 1.763 18463 2307 1 19 . 1 1 25 25 GLY H H 25 8.054 8.054 7.736 0.318 18463 2308 1 19 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.903 -0.129 18463 2309 1 19 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.135 -2.414 18463 2310 1 19 . 1 1 26 26 TYR H H 26 8.932 8.932 8.773 0.159 18463 2311 1 19 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.673 -0.485 18463 2312 1 19 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.469 -4.617 18463 2313 1 19 . 1 1 27 27 CYS CB C 27 37.300 37.300 30.492 6.808 18463 2314 1 19 . 1 1 27 27 CYS H H 27 8.753 8.753 8.576 0.177 18463 2315 1 19 . 1 1 28 28 ALA HA H 28 4.654 4.654 5.019 -0.365 18463 2316 1 19 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.478 0.125 18463 2317 1 19 . 1 1 28 28 ALA CB C 28 20.758 20.758 22.203 -1.446 18463 2318 1 19 . 1 1 28 28 ALA H H 28 9.122 9.122 9.115 0.007 18463 2319 1 19 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.550 0.158 18463 2320 1 19 . 1 1 29 29 GLY H H 29 8.548 8.548 8.338 0.210 18463 2321 1 19 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.164 0.184 18463 2322 1 19 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.130 -0.290 18463 2323 1 19 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.424 0.376 18463 2324 1 19 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.128 -1.422 18463 2325 1 19 . 1 1 31 31 TRP H H 31 9.002 9.002 8.164 0.838 18463 2326 1 19 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.782 -0.900 18463 2327 1 19 . 1 1 32 32 TYR CA C 32 58.010 58.010 55.268 2.742 18463 2328 1 19 . 1 1 32 32 TYR CB C 32 35.410 35.410 40.007 -4.597 18463 2329 1 19 . 1 1 32 32 TYR H H 32 6.367 6.367 6.754 -0.387 18463 2330 1 19 . 1 1 33 33 LEU HA H 33 4.450 4.450 4.014 0.436 18463 2331 1 19 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.143 -1.455 18463 2332 1 19 . 1 1 33 33 LEU CB C 33 42.778 42.778 41.984 0.793 18463 2333 1 19 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.311 0.499 18463 2334 1 19 . 1 1 34 34 GLY H H 34 7.632 7.632 8.313 -0.681 18463 2335 1 19 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.992 -1.287 18463 2336 1 19 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.722 -3.958 18463 2337 1 19 . 1 1 35 35 HIS H H 35 7.334 7.334 8.438 -1.104 18463 2338 1 19 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.531 -0.657 18463 2339 1 19 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.617 0.455 18463 2340 1 19 . 1 1 37 37 THR HA H 37 4.356 4.356 4.474 -0.118 18463 2341 1 19 . 1 1 37 37 THR CB C 37 69.525 69.525 69.076 0.449 18463 2342 1 19 . 1 1 37 37 THR H H 37 8.185 8.185 8.292 -0.107 18463 2343 1 19 . 1 1 38 38 CYS HA H 38 5.026 5.026 5.008 0.018 18463 2344 1 19 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.842 -1.792 18463 2345 1 19 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.992 5.929 18463 2346 1 19 . 1 1 38 38 CYS H H 38 9.046 9.046 9.130 -0.084 18463 2347 1 19 . 1 1 39 39 THR HA H 39 4.277 4.277 4.626 -0.349 18463 2348 1 19 . 1 1 39 39 THR CB C 39 70.474 70.474 70.891 -0.417 18463 2349 1 19 . 1 1 39 39 THR H H 39 9.272 9.272 8.993 0.279 18463 2350 1 19 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.462 1.005 18463 2351 1 19 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.608 -5.543 18463 2352 1 19 . 1 1 40 40 CYS CB C 40 35.086 35.086 29.044 6.042 18463 2353 1 19 . 1 1 40 40 CYS H H 40 8.658 8.658 8.785 -0.127 18463 2354 1 19 . 1 1 41 41 SER HA H 41 4.771 4.771 4.921 -0.150 18463 2355 1 19 . 1 1 41 41 SER CB C 41 66.158 66.158 64.197 1.961 18463 2356 1 19 . 1 1 41 41 SER H H 41 8.680 8.680 8.417 0.263 18463 2357 1 20 . 1 1 2 2 PHE HA H 2 3.971 3.971 4.169 -0.198 18463 2358 1 20 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.220 0.822 18463 2359 1 20 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.520 0.800 18463 2360 1 20 . 1 1 2 2 PHE H H 2 8.600 8.600 8.119 0.481 18463 2361 1 20 . 1 1 3 3 GLY CA C 3 44.873 44.873 44.932 -0.059 18463 2362 1 20 . 1 1 3 3 GLY H H 3 8.004 8.004 8.355 -0.351 18463 2363 1 20 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.132 -0.359 18463 2364 1 20 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.546 9.241 18463 2365 1 20 . 1 1 4 4 CYS H H 4 7.575 7.575 7.761 -0.186 18463 2366 1 20 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.420 0.269 18463 2367 1 20 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.885 -0.775 18463 2368 1 20 . 1 1 5 5 PRO CB C 5 35.383 35.383 31.994 3.389 18463 2369 1 20 . 1 1 6 6 GLY CA C 6 46.594 46.594 45.214 1.381 18463 2370 1 20 . 1 1 6 6 GLY H H 6 8.907 8.907 8.694 0.213 18463 2371 1 20 . 1 1 7 7 ASP HA H 7 5.007 5.007 4.976 0.031 18463 2372 1 20 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.518 -0.042 18463 2373 1 20 . 1 1 7 7 ASP CB C 7 40.265 40.265 42.543 -2.278 18463 2374 1 20 . 1 1 7 7 ASP H H 7 8.466 8.466 8.237 0.229 18463 2375 1 20 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.351 -0.354 18463 2376 1 20 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.159 -0.260 18463 2377 1 20 . 1 1 8 8 ALA H H 8 8.560 8.560 8.744 -0.184 18463 2378 1 20 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.037 0.273 18463 2379 1 20 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.904 -1.425 18463 2380 1 20 . 1 1 9 9 TYR H H 9 8.432 8.432 8.903 -0.471 18463 2381 1 20 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.249 -0.305 18463 2382 1 20 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.941 -0.306 18463 2383 1 20 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.468 -0.109 18463 2384 1 20 . 1 1 10 10 GLN H H 10 7.861 7.861 9.061 -1.200 18463 2385 1 20 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.302 0.585 18463 2386 1 20 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.672 -3.114 18463 2387 1 20 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.373 10.501 18463 2388 1 20 . 1 1 11 11 CYS H H 11 7.341 7.341 8.191 -0.850 18463 2389 1 20 . 1 1 12 12 SER N N 12 117.382 117.382 116.638 0.744 18463 2390 1 20 . 1 1 12 12 SER HA H 12 3.692 3.692 3.900 -0.208 18463 2391 1 20 . 1 1 12 12 SER CB C 12 62.945 62.945 62.616 0.329 18463 2392 1 20 . 1 1 12 12 SER H H 12 8.513 8.513 8.261 0.252 18463 2393 1 20 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.777 0.053 18463 2394 1 20 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.370 -0.270 18463 2395 1 20 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.546 -0.246 18463 2396 1 20 . 1 1 13 13 GLU H H 13 8.199 8.199 7.965 0.234 18463 2397 1 20 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.164 0.103 18463 2398 1 20 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.417 -0.783 18463 2399 1 20 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.504 -2.429 18463 2400 1 20 . 1 1 14 14 HIS H H 14 8.250 8.250 8.199 0.051 18463 2401 1 20 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.834 -0.090 18463 2402 1 20 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.695 -2.787 18463 2403 1 20 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.676 13.683 18463 2404 1 20 . 1 1 15 15 CYS H H 15 8.419 8.419 8.082 0.337 18463 2405 1 20 . 1 1 16 16 ARG HA H 16 3.595 3.595 4.042 -0.447 18463 2406 1 20 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.927 1.262 18463 2407 1 20 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.860 0.448 18463 2408 1 20 . 1 1 16 16 ARG H H 16 8.081 8.081 8.335 -0.254 18463 2409 1 20 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.098 -0.019 18463 2410 1 20 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.377 -0.217 18463 2411 1 20 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.225 -0.453 18463 2412 1 20 . 1 1 17 17 ALA H H 17 7.763 7.763 7.690 0.073 18463 2413 1 20 . 1 1 18 18 LEU HA H 18 4.007 4.007 3.974 0.033 18463 2414 1 20 . 1 1 18 18 LEU CB C 18 42.373 42.373 41.983 0.390 18463 2415 1 20 . 1 1 18 18 LEU H H 18 7.265 7.265 7.116 0.149 18463 2416 1 20 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.328 0.746 18463 2417 1 20 . 1 1 20 20 GLY H H 20 9.107 9.107 8.719 0.388 18463 2418 1 20 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.790 -0.259 18463 2419 1 20 . 1 1 21 21 GLY H H 21 8.671 8.671 8.098 0.573 18463 2420 1 20 . 1 1 22 22 ARG N N 22 119.872 119.872 121.853 -1.981 18463 2421 1 20 . 1 1 22 22 ARG HA H 22 3.993 3.993 3.937 0.056 18463 2422 1 20 . 1 1 22 22 ARG CA C 22 56.615 56.615 56.029 0.586 18463 2423 1 20 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.736 0.988 18463 2424 1 20 . 1 1 22 22 ARG H H 22 6.965 6.965 7.576 -0.611 18463 2425 1 20 . 1 1 23 23 THR HA H 23 4.277 4.277 4.319 -0.042 18463 2426 1 20 . 1 1 23 23 THR CB C 23 70.344 70.344 69.660 0.684 18463 2427 1 20 . 1 1 23 23 THR H H 23 8.837 8.837 8.142 0.695 18463 2428 1 20 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.163 -0.005 18463 2429 1 20 . 1 1 24 24 GLY H H 24 7.354 7.354 7.288 0.066 18463 2430 1 20 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.077 1.724 18463 2431 1 20 . 1 1 25 25 GLY H H 25 8.054 8.054 7.601 0.453 18463 2432 1 20 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.947 -0.173 18463 2433 1 20 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.346 -2.624 18463 2434 1 20 . 1 1 26 26 TYR H H 26 8.932 8.932 9.013 -0.081 18463 2435 1 20 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.732 -0.544 18463 2436 1 20 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.791 -4.939 18463 2437 1 20 . 1 1 27 27 CYS CB C 27 37.300 37.300 30.307 6.993 18463 2438 1 20 . 1 1 27 27 CYS H H 27 8.753 8.753 8.608 0.145 18463 2439 1 20 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.915 -0.261 18463 2440 1 20 . 1 1 28 28 ALA CA C 28 50.603 50.603 51.134 -0.531 18463 2441 1 20 . 1 1 28 28 ALA CB C 28 20.758 20.758 21.289 -0.531 18463 2442 1 20 . 1 1 28 28 ALA H H 28 9.122 9.122 9.193 -0.071 18463 2443 1 20 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.924 -0.216 18463 2444 1 20 . 1 1 29 29 GLY H H 29 8.548 8.548 8.008 0.540 18463 2445 1 20 . 1 1 30 30 PRO HA H 30 4.348 4.348 3.754 0.594 18463 2446 1 20 . 1 1 30 30 PRO CB C 30 31.840 31.840 31.810 0.030 18463 2447 1 20 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.450 0.350 18463 2448 1 20 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.230 -1.524 18463 2449 1 20 . 1 1 31 31 TRP H H 31 9.002 9.002 7.393 1.609 18463 2450 1 20 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.665 -0.783 18463 2451 1 20 . 1 1 32 32 TYR CA C 32 58.010 58.010 56.092 1.918 18463 2452 1 20 . 1 1 32 32 TYR CB C 32 35.410 35.410 38.860 -3.450 18463 2453 1 20 . 1 1 32 32 TYR H H 32 6.367 6.367 6.840 -0.473 18463 2454 1 20 . 1 1 33 33 LEU HA H 33 4.450 4.450 3.933 0.517 18463 2455 1 20 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.158 -1.470 18463 2456 1 20 . 1 1 33 33 LEU CB C 33 42.778 42.778 41.835 0.943 18463 2457 1 20 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.208 0.602 18463 2458 1 20 . 1 1 34 34 GLY H H 34 7.632 7.632 8.348 -0.716 18463 2459 1 20 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.961 -1.256 18463 2460 1 20 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.899 -4.135 18463 2461 1 20 . 1 1 35 35 HIS H H 35 7.334 7.334 8.168 -0.834 18463 2462 1 20 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.303 -0.429 18463 2463 1 20 . 1 1 36 36 PRO CA C 36 64.072 64.072 64.264 -0.192 18463 2464 1 20 . 1 1 37 37 THR HA H 37 4.356 4.356 4.463 -0.107 18463 2465 1 20 . 1 1 37 37 THR CB C 37 69.525 69.525 69.624 -0.099 18463 2466 1 20 . 1 1 37 37 THR H H 37 8.185 8.185 8.315 -0.130 18463 2467 1 20 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.830 0.196 18463 2468 1 20 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.983 -1.933 18463 2469 1 20 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.338 6.583 18463 2470 1 20 . 1 1 38 38 CYS H H 38 9.046 9.046 9.130 -0.084 18463 2471 1 20 . 1 1 39 39 THR HA H 39 4.277 4.277 4.638 -0.361 18463 2472 1 20 . 1 1 39 39 THR CB C 39 70.474 70.474 70.552 -0.078 18463 2473 1 20 . 1 1 39 39 THR H H 39 9.272 9.272 9.062 0.210 18463 2474 1 20 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.567 0.900 18463 2475 1 20 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.755 -5.690 18463 2476 1 20 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.825 6.261 18463 2477 1 20 . 1 1 40 40 CYS H H 40 8.658 8.658 8.819 -0.161 18463 2478 1 20 . 1 1 41 41 SER HA H 41 4.771 4.771 4.983 -0.212 18463 2479 1 20 . 1 1 41 41 SER CB C 41 66.158 66.158 64.561 1.597 18463 2480 1 20 . 1 1 41 41 SER H H 41 8.680 8.680 8.526 0.154 18463 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 2 1.442 0.528 1.897 18463 2 1 1 "Average Difference" HA 47 0.438 -0.009 0.443 18463 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18463 4 1 1 "Average Difference" CA 26 1.955 0.464 1.936 18463 5 1 1 "Average Difference" CB 30 4.550 -1.461 4.382 18463 6 1 1 "Average Difference" HN 35 0.451 -0.004 0.458 18463 7 1 2 "Average Difference" N 2 1.443 0.610 1.849 18463 8 1 2 "Average Difference" HA 47 0.434 0.009 0.439 18463 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18463 10 1 2 "Average Difference" CA 26 1.950 0.438 1.938 18463 11 1 2 "Average Difference" CB 30 4.538 -1.412 4.386 18463 12 1 2 "Average Difference" HN 35 0.454 0.029 0.460 18463 13 1 3 "Average Difference" N 2 1.453 0.531 1.912 18463 14 1 3 "Average Difference" HA 47 0.418 -0.047 0.420 18463 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18463 16 1 3 "Average Difference" CA 26 1.907 0.517 1.872 18463 17 1 3 "Average Difference" CB 30 4.573 -1.614 4.352 18463 18 1 3 "Average Difference" HN 35 0.476 -0.063 0.479 18463 19 1 4 "Average Difference" N 2 1.309 0.449 1.739 18463 20 1 4 "Average Difference" HA 47 0.428 -0.005 0.432 18463 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18463 22 1 4 "Average Difference" CA 26 1.895 0.484 1.869 18463 23 1 4 "Average Difference" CB 30 4.505 -1.451 4.338 18463 24 1 4 "Average Difference" HN 35 0.494 0.019 0.501 18463 25 1 5 "Average Difference" N 2 1.310 0.515 1.704 18463 26 1 5 "Average Difference" HA 47 0.422 -0.006 0.427 18463 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18463 28 1 5 "Average Difference" CA 26 1.886 0.454 1.867 18463 29 1 5 "Average Difference" CB 30 4.469 -1.448 4.301 18463 30 1 5 "Average Difference" HN 35 0.454 -0.000 0.461 18463 31 1 6 "Average Difference" N 2 1.483 0.512 1.969 18463 32 1 6 "Average Difference" HA 47 0.424 -0.025 0.428 18463 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18463 34 1 6 "Average Difference" CA 26 1.991 0.420 1.985 18463 35 1 6 "Average Difference" CB 30 4.693 -1.562 4.501 18463 36 1 6 "Average Difference" HN 35 0.455 -0.063 0.457 18463 37 1 7 "Average Difference" N 2 1.357 0.510 1.778 18463 38 1 7 "Average Difference" HA 47 0.436 -0.017 0.441 18463 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18463 40 1 7 "Average Difference" CA 26 1.903 0.498 1.873 18463 41 1 7 "Average Difference" CB 30 4.469 -1.436 4.305 18463 42 1 7 "Average Difference" HN 35 0.501 -0.016 0.508 18463 43 1 8 "Average Difference" N 2 1.334 0.516 1.739 18463 44 1 8 "Average Difference" HA 47 0.426 -0.009 0.431 18463 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18463 46 1 8 "Average Difference" CA 26 1.943 0.517 1.911 18463 47 1 8 "Average Difference" CB 30 4.507 -1.521 4.316 18463 48 1 8 "Average Difference" HN 35 0.440 -0.036 0.445 18463 49 1 9 "Average Difference" N 2 1.443 0.589 1.863 18463 50 1 9 "Average Difference" HA 47 0.413 -0.037 0.415 18463 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18463 52 1 9 "Average Difference" CA 26 1.889 0.520 1.852 18463 53 1 9 "Average Difference" CB 30 4.512 -1.549 4.310 18463 54 1 9 "Average Difference" HN 35 0.452 -0.041 0.456 18463 55 1 10 "Average Difference" N 2 1.498 0.578 1.954 18463 56 1 10 "Average Difference" HA 47 0.418 -0.019 0.422 18463 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18463 58 1 10 "Average Difference" CA 26 1.866 0.440 1.849 18463 59 1 10 "Average Difference" CB 30 4.464 -1.548 4.259 18463 60 1 10 "Average Difference" HN 35 0.450 -0.048 0.454 18463 61 1 11 "Average Difference" N 2 1.287 0.463 1.698 18463 62 1 11 "Average Difference" HA 47 0.418 0.014 0.422 18463 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18463 64 1 11 "Average Difference" CA 26 1.958 0.490 1.933 18463 65 1 11 "Average Difference" CB 30 4.561 -1.434 4.404 18463 66 1 11 "Average Difference" HN 35 0.474 0.037 0.480 18463 67 1 12 "Average Difference" N 2 1.460 0.492 1.945 18463 68 1 12 "Average Difference" HA 47 0.428 -0.011 0.432 18463 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18463 70 1 12 "Average Difference" CA 26 1.937 0.420 1.929 18463 71 1 12 "Average Difference" CB 30 4.565 -1.476 4.394 18463 72 1 12 "Average Difference" HN 35 0.440 0.003 0.446 18463 73 1 13 "Average Difference" N 2 1.424 0.517 1.877 18463 74 1 13 "Average Difference" HA 47 0.431 0.000 0.436 18463 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18463 76 1 13 "Average Difference" CA 26 1.934 0.446 1.919 18463 77 1 13 "Average Difference" CB 30 4.525 -1.391 4.380 18463 78 1 13 "Average Difference" HN 35 0.489 0.008 0.496 18463 79 1 14 "Average Difference" N 2 1.405 0.495 1.859 18463 80 1 14 "Average Difference" HA 47 0.427 -0.015 0.431 18463 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18463 82 1 14 "Average Difference" CA 26 1.917 0.465 1.896 18463 83 1 14 "Average Difference" CB 30 4.529 -1.392 4.384 18463 84 1 14 "Average Difference" HN 35 0.498 -0.002 0.505 18463 85 1 15 "Average Difference" N 2 1.360 0.610 1.719 18463 86 1 15 "Average Difference" HA 47 0.435 0.004 0.440 18463 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18463 88 1 15 "Average Difference" CA 26 1.899 0.412 1.891 18463 89 1 15 "Average Difference" CB 30 4.450 -1.388 4.300 18463 90 1 15 "Average Difference" HN 35 0.424 0.008 0.430 18463 91 1 16 "Average Difference" N 2 1.453 0.584 1.881 18463 92 1 16 "Average Difference" HA 47 0.423 -0.015 0.427 18463 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18463 94 1 16 "Average Difference" CA 26 1.878 0.440 1.862 18463 95 1 16 "Average Difference" CB 30 4.506 -1.447 4.340 18463 96 1 16 "Average Difference" HN 35 0.505 -0.004 0.512 18463 97 1 17 "Average Difference" N 2 1.490 0.519 1.976 18463 98 1 17 "Average Difference" HA 47 0.426 -0.005 0.430 18463 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18463 100 1 17 "Average Difference" CA 26 1.950 0.424 1.941 18463 101 1 17 "Average Difference" CB 30 4.594 -1.456 4.432 18463 102 1 17 "Average Difference" HN 35 0.481 0.008 0.488 18463 103 1 18 "Average Difference" N 2 1.483 0.510 1.969 18463 104 1 18 "Average Difference" HA 47 0.422 -0.012 0.426 18463 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18463 106 1 18 "Average Difference" CA 26 1.971 0.525 1.938 18463 107 1 18 "Average Difference" CB 30 4.548 -1.503 4.366 18463 108 1 18 "Average Difference" HN 35 0.427 -0.072 0.427 18463 109 1 19 "Average Difference" N 2 1.194 0.499 1.534 18463 110 1 19 "Average Difference" HA 47 0.436 0.015 0.440 18463 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18463 112 1 19 "Average Difference" CA 26 1.891 0.408 1.883 18463 113 1 19 "Average Difference" CB 30 4.407 -1.347 4.268 18463 114 1 19 "Average Difference" HN 35 0.450 0.003 0.457 18463 115 1 20 "Average Difference" N 2 1.496 0.618 1.927 18463 116 1 20 "Average Difference" HA 47 0.438 -0.030 0.442 18463 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18463 118 1 20 "Average Difference" CA 26 1.902 0.560 1.854 18463 119 1 20 "Average Difference" CB 30 4.411 -1.441 4.241 18463 120 1 20 "Average Difference" HN 35 0.514 -0.006 0.521 18463 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 18463 _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 PHE HA H 2 3.971 3.971 4.142 -0.171 18463 2 1 . 1 1 2 2 PHE CA C 2 59.042 59.042 58.239 0.803 18463 3 1 . 1 1 2 2 PHE CB C 2 37.320 37.320 36.446 0.874 18463 4 1 . 1 1 2 2 PHE H H 2 8.600 8.600 8.174 0.426 18463 5 1 . 1 1 3 3 GLY CA C 3 44.873 44.873 45.148 -0.275 18463 6 1 . 1 1 3 3 GLY H H 3 8.004 8.004 8.346 -0.342 18463 7 1 . 1 1 4 4 CYS HA H 4 4.773 4.773 5.165 -0.392 18463 8 1 . 1 1 4 4 CYS CB C 4 37.787 37.787 28.441 9.346 18463 9 1 . 1 1 4 4 CYS H H 4 7.575 7.575 7.737 -0.162 18463 10 1 . 1 1 5 5 PRO HA H 5 4.689 4.689 4.439 0.250 18463 11 1 . 1 1 5 5 PRO CA C 5 63.109 63.109 63.734 -0.625 18463 12 1 . 1 1 5 5 PRO CB C 5 35.383 35.383 32.259 3.124 18463 13 1 . 1 1 6 6 GLY CA C 6 46.594 46.594 44.994 1.600 18463 14 1 . 1 1 6 6 GLY H H 6 8.907 8.907 8.406 0.501 18463 15 1 . 1 1 7 7 ASP HA H 7 5.007 5.007 4.993 0.014 18463 16 1 . 1 1 7 7 ASP CA C 7 52.476 52.476 52.575 -0.099 18463 17 1 . 1 1 7 7 ASP CB C 7 40.265 40.265 41.886 -1.622 18463 18 1 . 1 1 7 7 ASP H H 7 8.466 8.466 8.247 0.219 18463 19 1 . 1 1 8 8 ALA HA H 8 3.997 3.997 4.315 -0.318 18463 20 1 . 1 1 8 8 ALA CB C 8 18.899 18.899 19.156 -0.257 18463 21 1 . 1 1 8 8 ALA H H 8 8.560 8.560 8.638 -0.078 18463 22 1 . 1 1 9 9 TYR HA H 9 4.310 4.310 4.053 0.257 18463 23 1 . 1 1 9 9 TYR CB C 9 37.479 37.479 38.735 -1.256 18463 24 1 . 1 1 9 9 TYR H H 9 8.432 8.432 8.702 -0.270 18463 25 1 . 1 1 10 10 GLN HA H 10 3.944 3.944 4.063 -0.119 18463 26 1 . 1 1 10 10 GLN CA C 10 58.635 58.635 58.946 -0.311 18463 27 1 . 1 1 10 10 GLN CB C 10 28.359 28.359 28.453 -0.094 18463 28 1 . 1 1 10 10 GLN H H 10 7.861 7.861 8.835 -0.974 18463 29 1 . 1 1 11 11 CYS HA H 11 4.887 4.887 4.291 0.596 18463 30 1 . 1 1 11 11 CYS CA C 11 58.558 58.558 61.658 -3.100 18463 31 1 . 1 1 11 11 CYS CB C 11 35.874 35.874 25.408 10.466 18463 32 1 . 1 1 11 11 CYS H H 11 7.341 7.341 8.030 -0.689 18463 33 1 . 1 1 12 12 SER N N 12 117.382 117.382 116.614 0.768 18463 34 1 . 1 1 12 12 SER HA H 12 3.692 3.692 3.919 -0.227 18463 35 1 . 1 1 12 12 SER CB C 12 62.945 62.945 62.652 0.293 18463 36 1 . 1 1 12 12 SER H H 12 8.513 8.513 8.171 0.342 18463 37 1 . 1 1 13 13 GLU HA H 13 3.830 3.830 3.736 0.094 18463 38 1 . 1 1 13 13 GLU CA C 13 59.100 59.100 59.392 -0.292 18463 39 1 . 1 1 13 13 GLU CB C 13 29.300 29.300 29.480 -0.180 18463 40 1 . 1 1 13 13 GLU H H 13 8.199 8.199 7.990 0.209 18463 41 1 . 1 1 14 14 HIS HA H 14 4.267 4.267 4.112 0.155 18463 42 1 . 1 1 14 14 HIS CA C 14 58.635 58.635 59.316 -0.681 18463 43 1 . 1 1 14 14 HIS CB C 14 27.075 27.075 29.349 -2.274 18463 44 1 . 1 1 14 14 HIS H H 14 8.250 8.250 8.156 0.094 18463 45 1 . 1 1 15 15 CYS HA H 15 3.744 3.744 3.697 0.047 18463 46 1 . 1 1 15 15 CYS CA C 15 59.908 59.908 62.544 -2.636 18463 47 1 . 1 1 15 15 CYS CB C 15 39.359 39.359 25.609 13.750 18463 48 1 . 1 1 15 15 CYS H H 15 8.419 8.419 7.910 0.509 18463 49 1 . 1 1 16 16 ARG HA H 16 3.595 3.595 3.977 -0.382 18463 50 1 . 1 1 16 16 ARG CA C 16 60.189 60.189 58.894 1.295 18463 51 1 . 1 1 16 16 ARG CB C 16 30.308 30.308 29.872 0.436 18463 52 1 . 1 1 16 16 ARG H H 16 8.081 8.081 8.283 -0.202 18463 53 1 . 1 1 17 17 ALA HA H 17 4.079 4.079 4.098 -0.019 18463 54 1 . 1 1 17 17 ALA CA C 17 54.160 54.160 54.363 -0.203 18463 55 1 . 1 1 17 17 ALA CB C 17 17.772 17.772 18.229 -0.457 18463 56 1 . 1 1 17 17 ALA H H 17 7.763 7.763 7.843 -0.080 18463 57 1 . 1 1 18 18 LEU HA H 18 4.007 4.007 4.014 -0.007 18463 58 1 . 1 1 18 18 LEU CB C 18 42.373 42.373 42.031 0.342 18463 59 1 . 1 1 18 18 LEU H H 18 7.265 7.265 7.081 0.184 18463 60 1 . 1 1 20 20 GLY CA C 20 47.074 47.074 46.289 0.785 18463 61 1 . 1 1 20 20 GLY H H 20 9.107 9.107 8.703 0.404 18463 62 1 . 1 1 21 21 GLY CA C 21 44.531 44.531 44.804 -0.273 18463 63 1 . 1 1 21 21 GLY H H 21 8.671 8.671 8.109 0.562 18463 64 1 . 1 1 22 22 ARG N N 22 119.872 119.872 121.705 -1.833 18463 65 1 . 1 1 22 22 ARG HA H 22 3.993 3.993 3.974 0.019 18463 66 1 . 1 1 22 22 ARG CA C 22 56.615 56.615 55.882 0.733 18463 67 1 . 1 1 22 22 ARG CB C 22 30.724 30.724 29.794 0.930 18463 68 1 . 1 1 22 22 ARG H H 22 6.965 6.965 7.531 -0.566 18463 69 1 . 1 1 23 23 THR HA H 23 4.277 4.277 4.311 -0.034 18463 70 1 . 1 1 23 23 THR CB C 23 70.344 70.344 69.665 0.679 18463 71 1 . 1 1 23 23 THR H H 23 8.837 8.837 8.193 0.644 18463 72 1 . 1 1 24 24 GLY CA C 24 45.157 45.157 45.168 -0.011 18463 73 1 . 1 1 24 24 GLY H H 24 7.354 7.354 7.259 0.094 18463 74 1 . 1 1 25 25 GLY CA C 25 46.801 46.801 45.101 1.700 18463 75 1 . 1 1 25 25 GLY H H 25 8.054 8.054 7.577 0.477 18463 76 1 . 1 1 26 26 TYR HA H 26 4.774 4.774 4.939 -0.165 18463 77 1 . 1 1 26 26 TYR CB C 26 39.721 39.721 42.420 -2.699 18463 78 1 . 1 1 26 26 TYR H H 26 8.932 8.932 8.953 -0.021 18463 79 1 . 1 1 27 27 CYS HA H 27 5.188 5.188 5.617 -0.429 18463 80 1 . 1 1 27 27 CYS CA C 27 52.852 52.852 57.899 -5.047 18463 81 1 . 1 1 27 27 CYS CB C 27 37.300 37.300 29.114 8.186 18463 82 1 . 1 1 27 27 CYS H H 27 8.753 8.753 8.717 0.036 18463 83 1 . 1 1 28 28 ALA HA H 28 4.654 4.654 4.797 -0.143 18463 84 1 . 1 1 28 28 ALA CA C 28 50.603 50.603 50.515 0.088 18463 85 1 . 1 1 28 28 ALA CB C 28 20.758 20.758 21.995 -1.237 18463 86 1 . 1 1 28 28 ALA H H 28 9.122 9.122 9.125 -0.003 18463 87 1 . 1 1 29 29 GLY CA C 29 44.708 44.708 44.468 0.240 18463 88 1 . 1 1 29 29 GLY H H 29 8.548 8.548 8.276 0.272 18463 89 1 . 1 1 30 30 PRO HA H 30 4.348 4.348 4.109 0.239 18463 90 1 . 1 1 30 30 PRO CB C 30 31.840 31.840 32.035 -0.195 18463 91 1 . 1 1 31 31 TRP HA H 31 4.800 4.800 4.474 0.327 18463 92 1 . 1 1 31 31 TRP CB C 31 27.706 27.706 29.088 -1.382 18463 93 1 . 1 1 31 31 TRP H H 31 9.002 9.002 7.962 1.040 18463 94 1 . 1 1 32 32 TYR HA H 32 3.882 3.882 4.731 -0.849 18463 95 1 . 1 1 32 32 TYR CA C 32 58.010 58.010 55.793 2.217 18463 96 1 . 1 1 32 32 TYR CB C 32 35.410 35.410 39.639 -4.229 18463 97 1 . 1 1 32 32 TYR H H 32 6.367 6.367 6.933 -0.566 18463 98 1 . 1 1 33 33 LEU HA H 33 4.450 4.450 3.995 0.455 18463 99 1 . 1 1 33 33 LEU CA C 33 53.688 53.688 55.168 -1.480 18463 100 1 . 1 1 33 33 LEU CB C 33 42.778 42.778 41.998 0.780 18463 101 1 . 1 1 34 34 GLY CA C 34 45.810 45.810 45.318 0.492 18463 102 1 . 1 1 34 34 GLY H H 34 7.632 7.632 8.308 -0.676 18463 103 1 . 1 1 35 35 HIS HA H 35 3.705 3.705 4.968 -1.263 18463 104 1 . 1 1 35 35 HIS CB C 35 25.764 25.764 29.913 -4.149 18463 105 1 . 1 1 35 35 HIS H H 35 7.334 7.334 8.347 -1.013 18463 106 1 . 1 1 36 36 PRO HA H 36 3.874 3.874 4.503 -0.629 18463 107 1 . 1 1 36 36 PRO CA C 36 64.072 64.072 63.633 0.439 18463 108 1 . 1 1 37 37 THR HA H 37 4.356 4.356 4.459 -0.103 18463 109 1 . 1 1 37 37 THR CB C 37 69.525 69.525 69.340 0.186 18463 110 1 . 1 1 37 37 THR H H 37 8.185 8.185 8.206 -0.021 18463 111 1 . 1 1 38 38 CYS HA H 38 5.026 5.026 4.899 0.127 18463 112 1 . 1 1 38 38 CYS CA C 38 57.050 57.050 58.863 -1.813 18463 113 1 . 1 1 38 38 CYS CB C 38 34.921 34.921 28.142 6.779 18463 114 1 . 1 1 38 38 CYS H H 38 9.046 9.046 9.154 -0.108 18463 115 1 . 1 1 39 39 THR HA H 39 4.277 4.277 4.654 -0.377 18463 116 1 . 1 1 39 39 THR CB C 39 70.474 70.474 70.748 -0.274 18463 117 1 . 1 1 39 39 THR H H 39 9.272 9.272 9.113 0.159 18463 118 1 . 1 1 40 40 CYS HA H 40 5.467 5.467 4.540 0.927 18463 119 1 . 1 1 40 40 CYS CA C 40 52.065 52.065 57.755 -5.690 18463 120 1 . 1 1 40 40 CYS CB C 40 35.086 35.086 28.772 6.314 18463 121 1 . 1 1 40 40 CYS H H 40 8.658 8.658 8.829 -0.171 18463 122 1 . 1 1 41 41 SER HA H 41 4.771 4.771 4.952 -0.181 18463 123 1 . 1 1 41 41 SER CB C 41 66.158 66.158 64.425 1.733 18463 124 1 . 1 1 41 41 SER H H 41 8.680 8.680 8.489 0.191 18463 stop_ save_