data_25913 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25913 _Entry.PDB_ID 2N9O 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 25913 _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 0 0 SER HA H 0 4.525 4.525 4.850 -0.325 25913 2 1 1 . 1 1 0 0 SER C C 0 174.776 174.776 174.260 0.516 25913 3 1 1 . 1 1 0 0 SER CA C 0 58.364 58.364 58.736 -0.372 25913 4 1 1 . 1 1 0 0 SER CB C 0 64.049 64.049 64.258 -0.209 25913 5 1 1 . 1 1 1 1 MET N N 1 123.174 123.174 120.596 2.578 25913 6 1 1 . 1 1 1 1 MET HA H 1 4.486 4.486 4.451 0.035 25913 7 1 1 . 1 1 1 1 MET C C 1 176.177 176.177 176.274 -0.097 25913 8 1 1 . 1 1 1 1 MET CA C 1 55.804 55.804 56.379 -0.575 25913 9 1 1 . 1 1 1 1 MET CB C 1 32.941 32.941 33.135 -0.194 25913 10 1 1 . 1 1 1 1 MET H H 1 8.592 8.592 7.586 1.006 25913 11 1 1 . 1 1 2 2 ALA N N 2 125.785 125.785 125.427 0.358 25913 12 1 1 . 1 1 2 2 ALA HA H 2 4.293 4.293 3.998 0.295 25913 13 1 1 . 1 1 2 2 ALA C C 2 177.812 177.812 177.969 -0.157 25913 14 1 1 . 1 1 2 2 ALA CA C 2 52.809 52.809 52.357 0.452 25913 15 1 1 . 1 1 2 2 ALA CB C 2 19.224 19.224 17.465 1.759 25913 16 1 1 . 1 1 2 2 ALA H H 2 8.337 8.337 8.950 -0.613 25913 17 1 1 . 1 1 3 3 GLU N N 3 120.731 120.731 117.468 3.263 25913 18 1 1 . 1 1 3 3 GLU HA H 3 4.256 4.256 3.857 0.399 25913 19 1 1 . 1 1 3 3 GLU C C 3 176.186 176.186 175.901 0.285 25913 20 1 1 . 1 1 3 3 GLU CA C 3 56.377 56.377 58.918 -2.541 25913 21 1 1 . 1 1 3 3 GLU CB C 3 30.549 30.549 29.327 1.222 25913 22 1 1 . 1 1 3 3 GLU H H 3 8.274 8.274 8.451 -0.177 25913 23 1 1 . 1 1 4 4 ALA N N 4 125.716 125.716 119.613 6.103 25913 24 1 1 . 1 1 4 4 ALA HA H 4 4.345 4.345 3.969 0.376 25913 25 1 1 . 1 1 4 4 ALA C C 4 177.530 177.530 177.748 -0.218 25913 26 1 1 . 1 1 4 4 ALA CA C 4 52.413 52.413 52.652 -0.239 25913 27 1 1 . 1 1 4 4 ALA CB C 4 19.466 19.466 17.975 1.491 25913 28 1 1 . 1 1 4 4 ALA H H 4 8.271 8.271 7.998 0.273 25913 29 1 1 . 1 1 5 5 SER N N 5 117.161 117.161 115.096 2.065 25913 30 1 1 . 1 1 5 5 SER HA H 5 4.724 4.724 4.421 0.303 25913 31 1 1 . 1 1 5 5 SER C C 5 172.661 172.661 174.705 -2.044 25913 32 1 1 . 1 1 5 5 SER CA C 5 56.354 56.354 61.653 -5.299 25913 33 1 1 . 1 1 5 5 SER CB C 5 63.442 63.442 61.929 1.513 25913 34 1 1 . 1 1 5 5 SER H H 5 8.259 8.259 8.555 -0.296 25913 35 1 1 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.764 -0.350 25913 36 1 1 . 1 1 6 6 PRO C C 6 176.523 176.523 175.752 0.771 25913 37 1 1 . 1 1 6 6 PRO CA C 6 63.385 63.385 62.296 1.089 25913 38 1 1 . 1 1 6 6 PRO CB C 6 32.187 32.187 29.491 2.696 25913 39 1 1 . 1 1 7 7 HIS N N 7 120.170 120.170 120.113 0.057 25913 40 1 1 . 1 1 7 7 HIS HA H 7 4.980 4.980 5.132 -0.152 25913 41 1 1 . 1 1 7 7 HIS C C 7 172.577 172.577 174.264 -1.687 25913 42 1 1 . 1 1 7 7 HIS CA C 7 53.492 53.492 53.940 -0.448 25913 43 1 1 . 1 1 7 7 HIS CB C 7 29.133 29.133 29.296 -0.163 25913 44 1 1 . 1 1 7 7 HIS H H 7 8.489 8.489 8.358 0.131 25913 45 1 1 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.359 0.187 25913 46 1 1 . 1 1 8 8 PRO C C 8 177.382 177.382 175.953 1.429 25913 47 1 1 . 1 1 8 8 PRO CA C 8 63.443 63.443 62.924 0.519 25913 48 1 1 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.455 -0.078 25913 49 1 1 . 1 1 9 9 GLY N N 9 110.263 110.263 106.500 3.763 25913 50 1 1 . 1 1 9 9 GLY C C 9 172.859 172.859 173.351 -0.492 25913 51 1 1 . 1 1 9 9 GLY CA C 9 45.211 45.211 45.823 -0.612 25913 52 1 1 . 1 1 9 9 GLY H H 9 8.635 8.635 8.768 -0.133 25913 53 1 1 . 1 1 10 10 ARG N N 10 121.025 121.025 123.257 -2.232 25913 54 1 1 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.495 0.287 25913 55 1 1 . 1 1 10 10 ARG C C 10 175.125 175.125 174.802 0.323 25913 56 1 1 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.474 -1.118 25913 57 1 1 . 1 1 10 10 ARG CB C 10 32.982 32.982 28.792 4.190 25913 58 1 1 . 1 1 10 10 ARG H H 10 8.229 8.229 7.915 0.314 25913 59 1 1 . 1 1 11 11 TYR N N 11 121.353 121.353 123.913 -2.560 25913 60 1 1 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.758 -0.430 25913 61 1 1 . 1 1 11 11 TYR C C 11 174.229 174.229 174.930 -0.701 25913 62 1 1 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.032 1.017 25913 63 1 1 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.095 -0.044 25913 64 1 1 . 1 1 11 11 TYR H H 11 8.692 8.692 9.279 -0.587 25913 65 1 1 . 1 1 12 12 PHE N N 12 122.456 122.456 122.280 0.176 25913 66 1 1 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.327 -0.443 25913 67 1 1 . 1 1 12 12 PHE C C 12 174.224 174.224 174.843 -0.619 25913 68 1 1 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.419 0.600 25913 69 1 1 . 1 1 12 12 PHE CB C 12 44.078 44.078 41.979 2.099 25913 70 1 1 . 1 1 12 12 PHE H H 12 9.415 9.415 9.070 0.345 25913 71 1 1 . 1 1 13 13 CYS N N 13 128.438 128.438 128.508 -0.070 25913 72 1 1 . 1 1 13 13 CYS HA H 13 4.653 4.653 5.034 -0.381 25913 73 1 1 . 1 1 13 13 CYS C C 13 176.686 176.686 175.422 1.264 25913 74 1 1 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.538 0.790 25913 75 1 1 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.037 3.183 25913 76 1 1 . 1 1 13 13 CYS H H 13 7.942 7.942 8.842 -0.900 25913 77 1 1 . 1 1 14 14 HIS N N 14 126.467 126.467 125.948 0.519 25913 78 1 1 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.529 -0.206 25913 79 1 1 . 1 1 14 14 HIS C C 14 175.452 175.452 176.348 -0.896 25913 80 1 1 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.510 0.226 25913 81 1 1 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.610 -1.419 25913 82 1 1 . 1 1 14 14 HIS H H 14 8.971 8.971 9.480 -0.509 25913 83 1 1 . 1 1 15 15 CYS N N 15 123.882 123.882 118.778 5.104 25913 84 1 1 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.284 0.158 25913 85 1 1 . 1 1 15 15 CYS C C 15 176.939 176.939 176.187 0.752 25913 86 1 1 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.040 0.664 25913 87 1 1 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.165 0.176 25913 88 1 1 . 1 1 15 15 CYS H H 15 9.195 9.195 8.268 0.927 25913 89 1 1 . 1 1 16 16 CYS N N 16 124.898 124.898 120.637 4.261 25913 90 1 1 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.462 -0.464 25913 91 1 1 . 1 1 16 16 CYS C C 16 175.557 175.557 174.730 0.827 25913 92 1 1 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.265 3.696 25913 93 1 1 . 1 1 16 16 CYS H H 16 9.794 9.794 7.960 1.834 25913 94 1 1 . 1 1 17 17 SER N N 17 114.055 114.055 113.331 0.724 25913 95 1 1 . 1 1 17 17 SER HA H 17 3.755 3.755 4.093 -0.338 25913 96 1 1 . 1 1 17 17 SER C C 17 173.790 173.790 173.311 0.479 25913 97 1 1 . 1 1 17 17 SER CA C 17 58.868 58.868 59.339 -0.471 25913 98 1 1 . 1 1 17 17 SER CB C 17 61.703 61.703 60.583 1.120 25913 99 1 1 . 1 1 17 17 SER H H 17 7.950 7.950 8.039 -0.089 25913 100 1 1 . 1 1 18 18 VAL N N 18 111.916 111.916 112.840 -0.924 25913 101 1 1 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.296 0.162 25913 102 1 1 . 1 1 18 18 VAL C C 18 173.765 173.765 173.509 0.256 25913 103 1 1 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.324 -0.292 25913 104 1 1 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.362 1.305 25913 105 1 1 . 1 1 18 18 VAL H H 18 6.438 6.438 7.045 -0.607 25913 106 1 1 . 1 1 19 19 GLU N N 19 123.431 123.431 122.508 0.923 25913 107 1 1 . 1 1 19 19 GLU HA H 19 5.023 5.023 5.070 -0.047 25913 108 1 1 . 1 1 19 19 GLU C C 19 176.506 176.506 175.963 0.543 25913 109 1 1 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.258 0.560 25913 110 1 1 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.710 -0.545 25913 111 1 1 . 1 1 19 19 GLU H H 19 8.346 8.346 8.320 0.026 25913 112 1 1 . 1 1 20 20 ILE N N 20 117.751 117.751 121.732 -3.981 25913 113 1 1 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.629 0.112 25913 114 1 1 . 1 1 20 20 ILE C C 20 175.511 175.511 173.909 1.602 25913 115 1 1 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.526 -0.581 25913 116 1 1 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.899 2.768 25913 117 1 1 . 1 1 20 20 ILE H H 20 8.537 8.537 9.033 -0.496 25913 118 1 1 . 1 1 21 21 VAL N N 21 124.220 124.220 122.166 2.054 25913 119 1 1 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.051 -0.465 25913 120 1 1 . 1 1 21 21 VAL C C 21 174.640 174.640 174.174 0.466 25913 121 1 1 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.865 1.853 25913 122 1 1 . 1 1 21 21 VAL CB C 21 32.503 32.503 33.019 -0.516 25913 123 1 1 . 1 1 21 21 VAL H H 21 8.203 8.203 8.304 -0.101 25913 124 1 1 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.605 -0.546 25913 125 1 1 . 1 1 22 22 PRO C C 22 175.352 175.352 176.129 -0.777 25913 126 1 1 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.457 0.204 25913 127 1 1 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.459 -0.445 25913 128 1 1 . 1 1 23 23 ARG N N 23 121.370 121.370 122.842 -1.472 25913 129 1 1 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.195 0.060 25913 130 1 1 . 1 1 23 23 ARG C C 23 175.759 175.759 176.682 -0.923 25913 131 1 1 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.120 -0.068 25913 132 1 1 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.186 1.700 25913 133 1 1 . 1 1 23 23 ARG H H 23 8.635 8.635 8.067 0.568 25913 134 1 1 . 1 1 24 24 LEU N N 24 127.914 127.914 127.365 0.549 25913 135 1 1 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.703 0.470 25913 136 1 1 . 1 1 24 24 LEU C C 24 175.774 175.774 175.917 -0.143 25913 137 1 1 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.445 -5.507 25913 138 1 1 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.233 2.187 25913 139 1 1 . 1 1 24 24 LEU H H 24 8.521 8.521 8.604 -0.083 25913 140 1 1 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.194 0.146 25913 141 1 1 . 1 1 25 25 PRO C C 25 176.386 176.386 176.946 -0.560 25913 142 1 1 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.434 -0.767 25913 143 1 1 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.750 2.926 25913 144 1 1 . 1 1 26 26 ASP N N 26 122.078 122.078 115.630 6.448 25913 145 1 1 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.672 -0.285 25913 146 1 1 . 1 1 26 26 ASP C C 26 175.321 175.321 176.145 -0.824 25913 147 1 1 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.353 2.002 25913 148 1 1 . 1 1 26 26 ASP CB C 26 41.066 41.066 43.321 -2.255 25913 149 1 1 . 1 1 26 26 ASP H H 26 8.752 8.752 7.763 0.989 25913 150 1 1 . 1 1 27 27 TYR N N 27 117.607 117.607 117.652 -0.045 25913 151 1 1 . 1 1 27 27 TYR HA H 27 3.449 3.449 4.005 -0.556 25913 152 1 1 . 1 1 27 27 TYR C C 27 173.074 173.074 174.303 -1.229 25913 153 1 1 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.460 0.977 25913 154 1 1 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.843 -0.783 25913 155 1 1 . 1 1 27 27 TYR H H 27 8.666 8.666 8.253 0.413 25913 156 1 1 . 1 1 28 28 ILE N N 28 111.804 111.804 112.544 -0.740 25913 157 1 1 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.495 0.280 25913 158 1 1 . 1 1 28 28 ILE C C 28 175.083 175.083 174.339 0.744 25913 159 1 1 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.043 -0.474 25913 160 1 1 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.472 0.635 25913 161 1 1 . 1 1 28 28 ILE H H 28 6.761 6.761 7.304 -0.543 25913 162 1 1 . 1 1 29 29 CYS N N 29 126.875 126.875 118.639 8.236 25913 163 1 1 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.776 -0.368 25913 164 1 1 . 1 1 29 29 CYS C C 29 175.932 175.932 175.102 0.830 25913 165 1 1 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.672 0.730 25913 166 1 1 . 1 1 29 29 CYS CB C 29 32.214 32.214 28.080 4.134 25913 167 1 1 . 1 1 29 29 CYS H H 29 8.783 8.783 8.699 0.084 25913 168 1 1 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.442 -0.060 25913 169 1 1 . 1 1 30 30 PRO C C 30 176.824 176.824 177.336 -0.512 25913 170 1 1 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.454 -0.414 25913 171 1 1 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.903 0.441 25913 172 1 1 . 1 1 31 31 ARG N N 31 124.131 124.131 117.389 6.742 25913 173 1 1 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.459 -0.158 25913 174 1 1 . 1 1 31 31 ARG C C 31 177.721 177.721 177.186 0.535 25913 175 1 1 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.721 0.469 25913 176 1 1 . 1 1 31 31 ARG CB C 31 31.682 31.682 31.011 0.671 25913 177 1 1 . 1 1 31 31 ARG H H 31 9.604 9.604 7.685 1.919 25913 178 1 1 . 1 1 32 32 CYS N N 32 119.758 119.758 114.155 5.603 25913 179 1 1 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.849 -0.010 25913 180 1 1 . 1 1 32 32 CYS C C 32 176.450 176.450 174.430 2.020 25913 181 1 1 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.626 1.084 25913 182 1 1 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.364 3.866 25913 183 1 1 . 1 1 32 32 CYS H H 32 8.549 8.549 7.770 0.779 25913 184 1 1 . 1 1 33 33 GLU N N 33 118.109 118.109 119.835 -1.726 25913 185 1 1 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.080 -0.002 25913 186 1 1 . 1 1 33 33 GLU C C 33 174.739 174.739 176.042 -1.303 25913 187 1 1 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.447 1.071 25913 188 1 1 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.346 -0.654 25913 189 1 1 . 1 1 33 33 GLU H H 33 7.868 7.868 8.133 -0.265 25913 190 1 1 . 1 1 34 34 SER N N 34 117.224 117.224 114.961 2.263 25913 191 1 1 . 1 1 34 34 SER HA H 34 4.437 4.437 4.521 -0.084 25913 192 1 1 . 1 1 34 34 SER C C 34 175.392 175.392 175.600 -0.208 25913 193 1 1 . 1 1 34 34 SER CA C 34 59.277 59.277 59.546 -0.269 25913 194 1 1 . 1 1 34 34 SER CB C 34 65.429 65.429 64.374 1.055 25913 195 1 1 . 1 1 34 34 SER H H 34 8.786 8.786 8.018 0.768 25913 196 1 1 . 1 1 35 35 GLY N N 35 111.095 111.095 107.555 3.540 25913 197 1 1 . 1 1 35 35 GLY C C 35 175.730 175.730 174.363 1.367 25913 198 1 1 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.686 0.555 25913 199 1 1 . 1 1 35 35 GLY H H 35 8.511 8.511 8.537 -0.026 25913 200 1 1 . 1 1 36 36 PHE N N 36 126.409 126.409 125.145 1.264 25913 201 1 1 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.387 0.764 25913 202 1 1 . 1 1 36 36 PHE C C 36 174.098 174.098 174.706 -0.608 25913 203 1 1 . 1 1 36 36 PHE CA C 36 55.269 55.269 59.038 -3.769 25913 204 1 1 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.521 -1.494 25913 205 1 1 . 1 1 36 36 PHE H H 36 8.850 8.850 7.680 1.170 25913 206 1 1 . 1 1 37 37 ILE N N 37 117.377 117.377 115.720 1.657 25913 207 1 1 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.349 0.007 25913 208 1 1 . 1 1 37 37 ILE C C 37 175.508 175.508 174.806 0.702 25913 209 1 1 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.651 0.036 25913 210 1 1 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.596 -1.448 25913 211 1 1 . 1 1 37 37 ILE H H 37 7.972 7.972 7.827 0.145 25913 212 1 1 . 1 1 38 38 GLU N N 38 124.869 124.869 122.841 2.028 25913 213 1 1 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.571 0.314 25913 214 1 1 . 1 1 38 38 GLU C C 38 174.300 174.300 175.282 -0.982 25913 215 1 1 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.900 -0.244 25913 216 1 1 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.273 2.316 25913 217 1 1 . 1 1 38 38 GLU H H 38 9.131 9.131 8.760 0.371 25913 218 1 1 . 1 1 39 39 GLU N N 39 127.840 127.840 127.119 0.721 25913 219 1 1 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.199 0.649 25913 220 1 1 . 1 1 39 39 GLU C C 39 175.507 175.507 175.518 -0.011 25913 221 1 1 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.643 0.862 25913 222 1 1 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.846 1.403 25913 223 1 1 . 1 1 39 39 GLU H H 39 8.844 8.844 8.653 0.191 25913 224 1 2 . 1 1 0 0 SER HA H 0 4.525 4.525 4.599 -0.074 25913 225 1 2 . 1 1 0 0 SER C C 0 174.776 174.776 174.278 0.498 25913 226 1 2 . 1 1 0 0 SER CA C 0 58.364 58.364 58.285 0.079 25913 227 1 2 . 1 1 0 0 SER CB C 0 64.049 64.049 63.804 0.245 25913 228 1 2 . 1 1 1 1 MET N N 1 123.174 123.174 119.457 3.717 25913 229 1 2 . 1 1 1 1 MET HA H 1 4.486 4.486 4.139 0.347 25913 230 1 2 . 1 1 1 1 MET C C 1 176.177 176.177 175.344 0.833 25913 231 1 2 . 1 1 1 1 MET CA C 1 55.804 55.804 56.158 -0.354 25913 232 1 2 . 1 1 1 1 MET CB C 1 32.941 32.941 30.981 1.960 25913 233 1 2 . 1 1 1 1 MET H H 1 8.592 8.592 8.728 -0.136 25913 234 1 2 . 1 1 2 2 ALA N N 2 125.785 125.785 120.779 5.006 25913 235 1 2 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.471 -0.178 25913 236 1 2 . 1 1 2 2 ALA C C 2 177.812 177.812 177.812 0.000 25913 237 1 2 . 1 1 2 2 ALA CA C 2 52.809 52.809 53.887 -1.078 25913 238 1 2 . 1 1 2 2 ALA CB C 2 19.224 19.224 19.597 -0.373 25913 239 1 2 . 1 1 2 2 ALA H H 2 8.337 8.337 7.987 0.350 25913 240 1 2 . 1 1 3 3 GLU N N 3 120.731 120.731 118.511 2.220 25913 241 1 2 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.323 -0.067 25913 242 1 2 . 1 1 3 3 GLU C C 3 176.186 176.186 176.680 -0.494 25913 243 1 2 . 1 1 3 3 GLU CA C 3 56.377 56.377 56.369 0.008 25913 244 1 2 . 1 1 3 3 GLU CB C 3 30.549 30.549 28.834 1.715 25913 245 1 2 . 1 1 3 3 GLU H H 3 8.274 8.274 8.607 -0.333 25913 246 1 2 . 1 1 4 4 ALA N N 4 125.716 125.716 124.242 1.474 25913 247 1 2 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.326 0.019 25913 248 1 2 . 1 1 4 4 ALA C C 4 177.530 177.530 176.849 0.681 25913 249 1 2 . 1 1 4 4 ALA CA C 4 52.413 52.413 52.697 -0.284 25913 250 1 2 . 1 1 4 4 ALA CB C 4 19.466 19.466 18.205 1.261 25913 251 1 2 . 1 1 4 4 ALA H H 4 8.271 8.271 7.821 0.450 25913 252 1 2 . 1 1 5 5 SER N N 5 117.161 117.161 116.798 0.363 25913 253 1 2 . 1 1 5 5 SER HA H 5 4.724 4.724 4.314 0.410 25913 254 1 2 . 1 1 5 5 SER C C 5 172.661 172.661 172.018 0.643 25913 255 1 2 . 1 1 5 5 SER CA C 5 56.354 56.354 57.919 -1.565 25913 256 1 2 . 1 1 5 5 SER CB C 5 63.442 63.442 62.072 1.370 25913 257 1 2 . 1 1 5 5 SER H H 5 8.259 8.259 8.565 -0.306 25913 258 1 2 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.257 0.157 25913 259 1 2 . 1 1 6 6 PRO C C 6 176.523 176.523 176.338 0.185 25913 260 1 2 . 1 1 6 6 PRO CA C 6 63.385 63.385 63.502 -0.117 25913 261 1 2 . 1 1 6 6 PRO CB C 6 32.187 32.187 32.165 0.022 25913 262 1 2 . 1 1 7 7 HIS N N 7 120.170 120.170 123.064 -2.894 25913 263 1 2 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.961 0.019 25913 264 1 2 . 1 1 7 7 HIS C C 7 172.577 172.577 173.578 -1.001 25913 265 1 2 . 1 1 7 7 HIS CA C 7 53.492 53.492 53.574 -0.082 25913 266 1 2 . 1 1 7 7 HIS CB C 7 29.133 29.133 30.498 -1.365 25913 267 1 2 . 1 1 7 7 HIS H H 7 8.489 8.489 8.088 0.401 25913 268 1 2 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.731 -0.185 25913 269 1 2 . 1 1 8 8 PRO C C 8 177.382 177.382 176.305 1.077 25913 270 1 2 . 1 1 8 8 PRO CA C 8 63.443 63.443 62.971 0.472 25913 271 1 2 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.893 -0.516 25913 272 1 2 . 1 1 9 9 GLY N N 9 110.263 110.263 108.250 2.013 25913 273 1 2 . 1 1 9 9 GLY C C 9 172.859 172.859 173.388 -0.529 25913 274 1 2 . 1 1 9 9 GLY CA C 9 45.211 45.211 46.376 -1.165 25913 275 1 2 . 1 1 9 9 GLY H H 9 8.635 8.635 9.000 -0.365 25913 276 1 2 . 1 1 10 10 ARG N N 10 121.025 121.025 122.795 -1.770 25913 277 1 2 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.835 -0.053 25913 278 1 2 . 1 1 10 10 ARG C C 10 175.125 175.125 174.726 0.399 25913 279 1 2 . 1 1 10 10 ARG CA C 10 55.356 55.356 55.814 -0.458 25913 280 1 2 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.500 3.482 25913 281 1 2 . 1 1 10 10 ARG H H 10 8.229 8.229 7.977 0.252 25913 282 1 2 . 1 1 11 11 TYR N N 11 121.353 121.353 123.868 -2.515 25913 283 1 2 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.647 -0.319 25913 284 1 2 . 1 1 11 11 TYR C C 11 174.229 174.229 174.656 -0.427 25913 285 1 2 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.084 0.965 25913 286 1 2 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.404 -0.353 25913 287 1 2 . 1 1 11 11 TYR H H 11 8.692 8.692 9.381 -0.689 25913 288 1 2 . 1 1 12 12 PHE N N 12 122.456 122.456 122.541 -0.085 25913 289 1 2 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.336 -0.452 25913 290 1 2 . 1 1 12 12 PHE C C 12 174.224 174.224 174.935 -0.711 25913 291 1 2 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.353 0.666 25913 292 1 2 . 1 1 12 12 PHE CB C 12 44.078 44.078 41.797 2.281 25913 293 1 2 . 1 1 12 12 PHE H H 12 9.415 9.415 9.140 0.275 25913 294 1 2 . 1 1 13 13 CYS N N 13 128.438 128.438 128.575 -0.137 25913 295 1 2 . 1 1 13 13 CYS HA H 13 4.653 4.653 4.976 -0.323 25913 296 1 2 . 1 1 13 13 CYS C C 13 176.686 176.686 175.218 1.468 25913 297 1 2 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.754 0.574 25913 298 1 2 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.062 3.158 25913 299 1 2 . 1 1 13 13 CYS H H 13 7.942 7.942 9.002 -1.060 25913 300 1 2 . 1 1 14 14 HIS N N 14 126.467 126.467 126.126 0.341 25913 301 1 2 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.676 -0.353 25913 302 1 2 . 1 1 14 14 HIS C C 14 175.452 175.452 176.003 -0.551 25913 303 1 2 . 1 1 14 14 HIS CA C 14 58.736 58.736 57.657 1.079 25913 304 1 2 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.676 -1.485 25913 305 1 2 . 1 1 14 14 HIS H H 14 8.971 8.971 9.513 -0.542 25913 306 1 2 . 1 1 15 15 CYS N N 15 123.882 123.882 117.635 6.247 25913 307 1 2 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.409 0.033 25913 308 1 2 . 1 1 15 15 CYS C C 15 176.939 176.939 175.717 1.222 25913 309 1 2 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.433 0.271 25913 310 1 2 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.525 -0.184 25913 311 1 2 . 1 1 15 15 CYS H H 15 9.195 9.195 8.238 0.957 25913 312 1 2 . 1 1 16 16 CYS N N 16 124.898 124.898 119.482 5.416 25913 313 1 2 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.580 -0.582 25913 314 1 2 . 1 1 16 16 CYS C C 16 175.557 175.557 174.550 1.007 25913 315 1 2 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.820 3.141 25913 316 1 2 . 1 1 16 16 CYS H H 16 9.794 9.794 7.952 1.842 25913 317 1 2 . 1 1 17 17 SER N N 17 114.055 114.055 114.137 -0.082 25913 318 1 2 . 1 1 17 17 SER HA H 17 3.755 3.755 4.128 -0.373 25913 319 1 2 . 1 1 17 17 SER C C 17 173.790 173.790 173.279 0.511 25913 320 1 2 . 1 1 17 17 SER CA C 17 58.868 58.868 59.449 -0.581 25913 321 1 2 . 1 1 17 17 SER CB C 17 61.703 61.703 60.581 1.122 25913 322 1 2 . 1 1 17 17 SER H H 17 7.950 7.950 8.124 -0.174 25913 323 1 2 . 1 1 18 18 VAL N N 18 111.916 111.916 112.672 -0.756 25913 324 1 2 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.263 0.195 25913 325 1 2 . 1 1 18 18 VAL C C 18 173.765 173.765 173.405 0.360 25913 326 1 2 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.421 -0.389 25913 327 1 2 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.508 1.159 25913 328 1 2 . 1 1 18 18 VAL H H 18 6.438 6.438 7.083 -0.645 25913 329 1 2 . 1 1 19 19 GLU N N 19 123.431 123.431 122.078 1.353 25913 330 1 2 . 1 1 19 19 GLU HA H 19 5.023 5.023 5.149 -0.126 25913 331 1 2 . 1 1 19 19 GLU C C 19 176.506 176.506 175.797 0.709 25913 332 1 2 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.025 0.793 25913 333 1 2 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.577 -0.412 25913 334 1 2 . 1 1 19 19 GLU H H 19 8.346 8.346 8.329 0.017 25913 335 1 2 . 1 1 20 20 ILE N N 20 117.751 117.751 120.620 -2.869 25913 336 1 2 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.716 0.025 25913 337 1 2 . 1 1 20 20 ILE C C 20 175.511 175.511 174.029 1.482 25913 338 1 2 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.361 -0.416 25913 339 1 2 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.517 3.150 25913 340 1 2 . 1 1 20 20 ILE H H 20 8.537 8.537 8.895 -0.358 25913 341 1 2 . 1 1 21 21 VAL N N 21 124.220 124.220 122.231 1.989 25913 342 1 2 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.188 -0.602 25913 343 1 2 . 1 1 21 21 VAL C C 21 174.640 174.640 174.137 0.503 25913 344 1 2 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.820 1.898 25913 345 1 2 . 1 1 21 21 VAL CB C 21 32.503 32.503 32.675 -0.172 25913 346 1 2 . 1 1 21 21 VAL H H 21 8.203 8.203 8.376 -0.173 25913 347 1 2 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.649 -0.590 25913 348 1 2 . 1 1 22 22 PRO C C 22 175.352 175.352 176.118 -0.766 25913 349 1 2 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.693 -0.032 25913 350 1 2 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.331 -0.317 25913 351 1 2 . 1 1 23 23 ARG N N 23 121.370 121.370 122.467 -1.097 25913 352 1 2 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.224 0.031 25913 353 1 2 . 1 1 23 23 ARG C C 23 175.759 175.759 176.691 -0.932 25913 354 1 2 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.030 0.022 25913 355 1 2 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.226 1.660 25913 356 1 2 . 1 1 23 23 ARG H H 23 8.635 8.635 8.101 0.534 25913 357 1 2 . 1 1 24 24 LEU N N 24 127.914 127.914 127.183 0.731 25913 358 1 2 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.786 0.387 25913 359 1 2 . 1 1 24 24 LEU C C 24 175.774 175.774 176.001 -0.227 25913 360 1 2 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.573 -5.635 25913 361 1 2 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.161 2.259 25913 362 1 2 . 1 1 24 24 LEU H H 24 8.521 8.521 8.692 -0.171 25913 363 1 2 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.159 0.181 25913 364 1 2 . 1 1 25 25 PRO C C 25 176.386 176.386 177.078 -0.692 25913 365 1 2 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.524 -0.857 25913 366 1 2 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.737 2.939 25913 367 1 2 . 1 1 26 26 ASP N N 26 122.078 122.078 114.403 7.675 25913 368 1 2 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.662 -0.275 25913 369 1 2 . 1 1 26 26 ASP C C 26 175.321 175.321 175.939 -0.618 25913 370 1 2 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.426 1.929 25913 371 1 2 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.983 -1.917 25913 372 1 2 . 1 1 26 26 ASP H H 26 8.752 8.752 7.712 1.040 25913 373 1 2 . 1 1 27 27 TYR N N 27 117.607 117.607 118.002 -0.395 25913 374 1 2 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.954 -0.505 25913 375 1 2 . 1 1 27 27 TYR C C 27 173.074 173.074 174.375 -1.301 25913 376 1 2 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.316 1.121 25913 377 1 2 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.621 -0.561 25913 378 1 2 . 1 1 27 27 TYR H H 27 8.666 8.666 8.086 0.580 25913 379 1 2 . 1 1 28 28 ILE N N 28 111.804 111.804 112.502 -0.698 25913 380 1 2 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.518 0.257 25913 381 1 2 . 1 1 28 28 ILE C C 28 175.083 175.083 174.742 0.341 25913 382 1 2 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.656 -1.087 25913 383 1 2 . 1 1 28 28 ILE CB C 28 42.107 42.107 40.970 1.137 25913 384 1 2 . 1 1 28 28 ILE H H 28 6.761 6.761 7.252 -0.491 25913 385 1 2 . 1 1 29 29 CYS N N 29 126.875 126.875 118.827 8.048 25913 386 1 2 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.755 -0.347 25913 387 1 2 . 1 1 29 29 CYS C C 29 175.932 175.932 175.004 0.928 25913 388 1 2 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.887 0.515 25913 389 1 2 . 1 1 29 29 CYS CB C 29 32.214 32.214 27.994 4.220 25913 390 1 2 . 1 1 29 29 CYS H H 29 8.783 8.783 8.715 0.068 25913 391 1 2 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.486 -0.104 25913 392 1 2 . 1 1 30 30 PRO C C 30 176.824 176.824 177.310 -0.486 25913 393 1 2 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.320 -0.280 25913 394 1 2 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.873 0.471 25913 395 1 2 . 1 1 31 31 ARG N N 31 124.131 124.131 117.587 6.544 25913 396 1 2 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.462 -0.161 25913 397 1 2 . 1 1 31 31 ARG C C 31 177.721 177.721 177.132 0.589 25913 398 1 2 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.804 0.386 25913 399 1 2 . 1 1 31 31 ARG CB C 31 31.682 31.682 31.121 0.561 25913 400 1 2 . 1 1 31 31 ARG H H 31 9.604 9.604 7.676 1.928 25913 401 1 2 . 1 1 32 32 CYS N N 32 119.758 119.758 114.060 5.698 25913 402 1 2 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.838 0.001 25913 403 1 2 . 1 1 32 32 CYS C C 32 176.450 176.450 174.470 1.980 25913 404 1 2 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.628 1.082 25913 405 1 2 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.395 3.835 25913 406 1 2 . 1 1 32 32 CYS H H 32 8.549 8.549 7.764 0.785 25913 407 1 2 . 1 1 33 33 GLU N N 33 118.109 118.109 120.023 -1.914 25913 408 1 2 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.047 0.031 25913 409 1 2 . 1 1 33 33 GLU C C 33 174.739 174.739 176.045 -1.306 25913 410 1 2 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.516 1.002 25913 411 1 2 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.064 -0.372 25913 412 1 2 . 1 1 33 33 GLU H H 33 7.868 7.868 8.167 -0.299 25913 413 1 2 . 1 1 34 34 SER N N 34 117.224 117.224 114.820 2.404 25913 414 1 2 . 1 1 34 34 SER HA H 34 4.437 4.437 4.500 -0.063 25913 415 1 2 . 1 1 34 34 SER C C 34 175.392 175.392 175.474 -0.082 25913 416 1 2 . 1 1 34 34 SER CA C 34 59.277 59.277 59.517 -0.240 25913 417 1 2 . 1 1 34 34 SER CB C 34 65.429 65.429 64.393 1.036 25913 418 1 2 . 1 1 34 34 SER H H 34 8.786 8.786 8.063 0.723 25913 419 1 2 . 1 1 35 35 GLY N N 35 111.095 111.095 108.104 2.991 25913 420 1 2 . 1 1 35 35 GLY C C 35 175.730 175.730 174.345 1.385 25913 421 1 2 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.620 0.621 25913 422 1 2 . 1 1 35 35 GLY H H 35 8.511 8.511 8.444 0.067 25913 423 1 2 . 1 1 36 36 PHE N N 36 126.409 126.409 125.185 1.224 25913 424 1 2 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.427 0.724 25913 425 1 2 . 1 1 36 36 PHE C C 36 174.098 174.098 174.706 -0.608 25913 426 1 2 . 1 1 36 36 PHE CA C 36 55.269 55.269 59.112 -3.843 25913 427 1 2 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.550 -1.522 25913 428 1 2 . 1 1 36 36 PHE H H 36 8.850 8.850 7.673 1.177 25913 429 1 2 . 1 1 37 37 ILE N N 37 117.377 117.377 115.787 1.590 25913 430 1 2 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.362 -0.006 25913 431 1 2 . 1 1 37 37 ILE C C 37 175.508 175.508 174.821 0.687 25913 432 1 2 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.692 -0.005 25913 433 1 2 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.538 -1.390 25913 434 1 2 . 1 1 37 37 ILE H H 37 7.972 7.972 7.918 0.054 25913 435 1 2 . 1 1 38 38 GLU N N 38 124.869 124.869 123.286 1.583 25913 436 1 2 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.550 0.335 25913 437 1 2 . 1 1 38 38 GLU C C 38 174.300 174.300 175.410 -1.110 25913 438 1 2 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.885 -0.229 25913 439 1 2 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.059 2.530 25913 440 1 2 . 1 1 38 38 GLU H H 38 9.131 9.131 8.837 0.294 25913 441 1 2 . 1 1 39 39 GLU N N 39 127.840 127.840 127.452 0.388 25913 442 1 2 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.096 0.752 25913 443 1 2 . 1 1 39 39 GLU C C 39 175.507 175.507 175.675 -0.168 25913 444 1 2 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.847 0.658 25913 445 1 2 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.641 1.608 25913 446 1 2 . 1 1 39 39 GLU H H 39 8.844 8.844 8.665 0.179 25913 447 1 3 . 1 1 0 0 SER HA H 0 4.525 4.525 4.692 -0.167 25913 448 1 3 . 1 1 0 0 SER C C 0 174.776 174.776 174.733 0.043 25913 449 1 3 . 1 1 0 0 SER CA C 0 58.364 58.364 57.347 1.017 25913 450 1 3 . 1 1 0 0 SER CB C 0 64.049 64.049 65.074 -1.025 25913 451 1 3 . 1 1 1 1 MET N N 1 123.174 123.174 118.752 4.422 25913 452 1 3 . 1 1 1 1 MET HA H 1 4.486 4.486 4.043 0.443 25913 453 1 3 . 1 1 1 1 MET C C 1 176.177 176.177 175.912 0.265 25913 454 1 3 . 1 1 1 1 MET CA C 1 55.804 55.804 58.053 -2.249 25913 455 1 3 . 1 1 1 1 MET CB C 1 32.941 32.941 31.453 1.488 25913 456 1 3 . 1 1 1 1 MET H H 1 8.592 8.592 8.687 -0.095 25913 457 1 3 . 1 1 2 2 ALA N N 2 125.785 125.785 121.173 4.612 25913 458 1 3 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.514 -0.221 25913 459 1 3 . 1 1 2 2 ALA C C 2 177.812 177.812 177.654 0.158 25913 460 1 3 . 1 1 2 2 ALA CA C 2 52.809 52.809 51.844 0.965 25913 461 1 3 . 1 1 2 2 ALA CB C 2 19.224 19.224 19.556 -0.332 25913 462 1 3 . 1 1 2 2 ALA H H 2 8.337 8.337 8.076 0.261 25913 463 1 3 . 1 1 3 3 GLU N N 3 120.731 120.731 121.053 -0.322 25913 464 1 3 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.365 -0.109 25913 465 1 3 . 1 1 3 3 GLU C C 3 176.186 176.186 176.071 0.115 25913 466 1 3 . 1 1 3 3 GLU CA C 3 56.377 56.377 55.434 0.943 25913 467 1 3 . 1 1 3 3 GLU CB C 3 30.549 30.549 31.056 -0.507 25913 468 1 3 . 1 1 3 3 GLU H H 3 8.274 8.274 7.523 0.751 25913 469 1 3 . 1 1 4 4 ALA N N 4 125.716 125.716 125.651 0.065 25913 470 1 3 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.256 0.089 25913 471 1 3 . 1 1 4 4 ALA C C 4 177.530 177.530 177.186 0.344 25913 472 1 3 . 1 1 4 4 ALA CA C 4 52.413 52.413 52.373 0.040 25913 473 1 3 . 1 1 4 4 ALA CB C 4 19.466 19.466 19.236 0.230 25913 474 1 3 . 1 1 4 4 ALA H H 4 8.271 8.271 8.240 0.031 25913 475 1 3 . 1 1 5 5 SER N N 5 117.161 117.161 118.590 -1.429 25913 476 1 3 . 1 1 5 5 SER HA H 5 4.724 4.724 4.429 0.295 25913 477 1 3 . 1 1 5 5 SER C C 5 172.661 172.661 173.631 -0.970 25913 478 1 3 . 1 1 5 5 SER CA C 5 56.354 56.354 57.893 -1.539 25913 479 1 3 . 1 1 5 5 SER CB C 5 63.442 63.442 63.185 0.257 25913 480 1 3 . 1 1 5 5 SER H H 5 8.259 8.259 8.306 -0.047 25913 481 1 3 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.455 -0.041 25913 482 1 3 . 1 1 6 6 PRO C C 6 176.523 176.523 175.768 0.755 25913 483 1 3 . 1 1 6 6 PRO CA C 6 63.385 63.385 62.812 0.573 25913 484 1 3 . 1 1 6 6 PRO CB C 6 32.187 32.187 30.342 1.845 25913 485 1 3 . 1 1 7 7 HIS N N 7 120.170 120.170 120.989 -0.819 25913 486 1 3 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.780 0.200 25913 487 1 3 . 1 1 7 7 HIS C C 7 172.577 172.577 173.555 -0.978 25913 488 1 3 . 1 1 7 7 HIS CA C 7 53.492 53.492 53.433 0.059 25913 489 1 3 . 1 1 7 7 HIS CB C 7 29.133 29.133 30.088 -0.955 25913 490 1 3 . 1 1 7 7 HIS H H 7 8.489 8.489 8.100 0.389 25913 491 1 3 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.495 0.051 25913 492 1 3 . 1 1 8 8 PRO C C 8 177.382 177.382 176.731 0.651 25913 493 1 3 . 1 1 8 8 PRO CA C 8 63.443 63.443 63.654 -0.211 25913 494 1 3 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.391 -0.014 25913 495 1 3 . 1 1 9 9 GLY N N 9 110.263 110.263 111.452 -1.189 25913 496 1 3 . 1 1 9 9 GLY C C 9 172.859 172.859 173.271 -0.412 25913 497 1 3 . 1 1 9 9 GLY CA C 9 45.211 45.211 45.970 -0.759 25913 498 1 3 . 1 1 9 9 GLY H H 9 8.635 8.635 8.959 -0.324 25913 499 1 3 . 1 1 10 10 ARG N N 10 121.025 121.025 122.952 -1.927 25913 500 1 3 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.834 -0.052 25913 501 1 3 . 1 1 10 10 ARG C C 10 175.125 175.125 174.906 0.219 25913 502 1 3 . 1 1 10 10 ARG CA C 10 55.356 55.356 55.930 -0.574 25913 503 1 3 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.658 3.324 25913 504 1 3 . 1 1 10 10 ARG H H 10 8.229 8.229 8.021 0.208 25913 505 1 3 . 1 1 11 11 TYR N N 11 121.353 121.353 123.434 -2.081 25913 506 1 3 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.486 -0.158 25913 507 1 3 . 1 1 11 11 TYR C C 11 174.229 174.229 174.628 -0.399 25913 508 1 3 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.140 0.909 25913 509 1 3 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.593 -0.541 25913 510 1 3 . 1 1 11 11 TYR H H 11 8.692 8.692 9.373 -0.681 25913 511 1 3 . 1 1 12 12 PHE N N 12 122.456 122.456 122.086 0.370 25913 512 1 3 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.287 -0.403 25913 513 1 3 . 1 1 12 12 PHE C C 12 174.224 174.224 174.834 -0.610 25913 514 1 3 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.477 0.542 25913 515 1 3 . 1 1 12 12 PHE CB C 12 44.078 44.078 41.934 2.144 25913 516 1 3 . 1 1 12 12 PHE H H 12 9.415 9.415 8.921 0.494 25913 517 1 3 . 1 1 13 13 CYS N N 13 128.438 128.438 128.532 -0.094 25913 518 1 3 . 1 1 13 13 CYS HA H 13 4.653 4.653 4.949 -0.296 25913 519 1 3 . 1 1 13 13 CYS C C 13 176.686 176.686 175.168 1.518 25913 520 1 3 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.842 0.486 25913 521 1 3 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.007 3.213 25913 522 1 3 . 1 1 13 13 CYS H H 13 7.942 7.942 8.967 -1.025 25913 523 1 3 . 1 1 14 14 HIS N N 14 126.467 126.467 126.549 -0.082 25913 524 1 3 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.670 -0.347 25913 525 1 3 . 1 1 14 14 HIS C C 14 175.452 175.452 176.313 -0.861 25913 526 1 3 . 1 1 14 14 HIS CA C 14 58.736 58.736 57.721 1.014 25913 527 1 3 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.407 -1.216 25913 528 1 3 . 1 1 14 14 HIS H H 14 8.971 8.971 9.565 -0.594 25913 529 1 3 . 1 1 15 15 CYS N N 15 123.882 123.882 117.831 6.051 25913 530 1 3 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.419 0.023 25913 531 1 3 . 1 1 15 15 CYS C C 15 176.939 176.939 175.767 1.172 25913 532 1 3 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.360 0.344 25913 533 1 3 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.401 -0.059 25913 534 1 3 . 1 1 15 15 CYS H H 15 9.195 9.195 8.230 0.965 25913 535 1 3 . 1 1 16 16 CYS N N 16 124.898 124.898 119.790 5.108 25913 536 1 3 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.576 -0.578 25913 537 1 3 . 1 1 16 16 CYS C C 16 175.557 175.557 174.635 0.922 25913 538 1 3 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.685 3.276 25913 539 1 3 . 1 1 16 16 CYS H H 16 9.794 9.794 7.971 1.823 25913 540 1 3 . 1 1 17 17 SER N N 17 114.055 114.055 114.005 0.050 25913 541 1 3 . 1 1 17 17 SER HA H 17 3.755 3.755 4.113 -0.358 25913 542 1 3 . 1 1 17 17 SER C C 17 173.790 173.790 173.263 0.527 25913 543 1 3 . 1 1 17 17 SER CA C 17 58.868 58.868 59.664 -0.796 25913 544 1 3 . 1 1 17 17 SER CB C 17 61.703 61.703 60.371 1.331 25913 545 1 3 . 1 1 17 17 SER H H 17 7.950 7.950 8.175 -0.225 25913 546 1 3 . 1 1 18 18 VAL N N 18 111.916 111.916 112.019 -0.103 25913 547 1 3 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.294 0.164 25913 548 1 3 . 1 1 18 18 VAL C C 18 173.765 173.765 173.665 0.100 25913 549 1 3 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.039 -0.007 25913 550 1 3 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.351 1.316 25913 551 1 3 . 1 1 18 18 VAL H H 18 6.438 6.438 7.003 -0.565 25913 552 1 3 . 1 1 19 19 GLU N N 19 123.431 123.431 123.104 0.327 25913 553 1 3 . 1 1 19 19 GLU HA H 19 5.023 5.023 4.892 0.131 25913 554 1 3 . 1 1 19 19 GLU C C 19 176.506 176.506 175.908 0.598 25913 555 1 3 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.487 0.331 25913 556 1 3 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.629 -0.464 25913 557 1 3 . 1 1 19 19 GLU H H 19 8.346 8.346 8.385 -0.039 25913 558 1 3 . 1 1 20 20 ILE N N 20 117.751 117.751 121.912 -4.161 25913 559 1 3 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.640 0.101 25913 560 1 3 . 1 1 20 20 ILE C C 20 175.511 175.511 173.940 1.571 25913 561 1 3 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.484 -0.539 25913 562 1 3 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.906 2.761 25913 563 1 3 . 1 1 20 20 ILE H H 20 8.537 8.537 8.998 -0.461 25913 564 1 3 . 1 1 21 21 VAL N N 21 124.220 124.220 122.022 2.198 25913 565 1 3 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.157 -0.571 25913 566 1 3 . 1 1 21 21 VAL C C 21 174.640 174.640 174.022 0.618 25913 567 1 3 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.803 1.915 25913 568 1 3 . 1 1 21 21 VAL CB C 21 32.503 32.503 32.976 -0.473 25913 569 1 3 . 1 1 21 21 VAL H H 21 8.203 8.203 8.364 -0.161 25913 570 1 3 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.676 -0.617 25913 571 1 3 . 1 1 22 22 PRO C C 22 175.352 175.352 176.156 -0.804 25913 572 1 3 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.623 0.038 25913 573 1 3 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.282 -0.268 25913 574 1 3 . 1 1 23 23 ARG N N 23 121.370 121.370 122.896 -1.526 25913 575 1 3 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.208 0.047 25913 576 1 3 . 1 1 23 23 ARG C C 23 175.759 175.759 176.674 -0.915 25913 577 1 3 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.080 -0.028 25913 578 1 3 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.147 1.739 25913 579 1 3 . 1 1 23 23 ARG H H 23 8.635 8.635 8.084 0.551 25913 580 1 3 . 1 1 24 24 LEU N N 24 127.914 127.914 127.247 0.667 25913 581 1 3 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.729 0.444 25913 582 1 3 . 1 1 24 24 LEU C C 24 175.774 175.774 175.881 -0.107 25913 583 1 3 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.557 -5.619 25913 584 1 3 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.237 2.183 25913 585 1 3 . 1 1 24 24 LEU H H 24 8.521 8.521 8.598 -0.077 25913 586 1 3 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.169 0.171 25913 587 1 3 . 1 1 25 25 PRO C C 25 176.386 176.386 177.027 -0.641 25913 588 1 3 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.442 -0.775 25913 589 1 3 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.741 2.935 25913 590 1 3 . 1 1 26 26 ASP N N 26 122.078 122.078 115.751 6.327 25913 591 1 3 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.662 -0.275 25913 592 1 3 . 1 1 26 26 ASP C C 26 175.321 175.321 176.057 -0.736 25913 593 1 3 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.450 1.905 25913 594 1 3 . 1 1 26 26 ASP CB C 26 41.066 41.066 43.121 -2.055 25913 595 1 3 . 1 1 26 26 ASP H H 26 8.752 8.752 7.717 1.035 25913 596 1 3 . 1 1 27 27 TYR N N 27 117.607 117.607 117.511 0.096 25913 597 1 3 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.992 -0.543 25913 598 1 3 . 1 1 27 27 TYR C C 27 173.074 173.074 174.286 -1.212 25913 599 1 3 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.381 1.056 25913 600 1 3 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.813 -0.753 25913 601 1 3 . 1 1 27 27 TYR H H 27 8.666 8.666 8.089 0.577 25913 602 1 3 . 1 1 28 28 ILE N N 28 111.804 111.804 112.434 -0.630 25913 603 1 3 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.482 0.293 25913 604 1 3 . 1 1 28 28 ILE C C 28 175.083 175.083 174.348 0.735 25913 605 1 3 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.017 -0.448 25913 606 1 3 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.494 0.613 25913 607 1 3 . 1 1 28 28 ILE H H 28 6.761 6.761 7.297 -0.536 25913 608 1 3 . 1 1 29 29 CYS N N 29 126.875 126.875 118.705 8.170 25913 609 1 3 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.774 -0.366 25913 610 1 3 . 1 1 29 29 CYS C C 29 175.932 175.932 175.151 0.781 25913 611 1 3 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.668 0.734 25913 612 1 3 . 1 1 29 29 CYS CB C 29 32.214 32.214 28.087 4.127 25913 613 1 3 . 1 1 29 29 CYS H H 29 8.783 8.783 8.705 0.078 25913 614 1 3 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.403 -0.021 25913 615 1 3 . 1 1 30 30 PRO C C 30 176.824 176.824 177.727 -0.903 25913 616 1 3 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.715 -0.675 25913 617 1 3 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.967 0.377 25913 618 1 3 . 1 1 31 31 ARG N N 31 124.131 124.131 117.183 6.948 25913 619 1 3 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.420 -0.119 25913 620 1 3 . 1 1 31 31 ARG C C 31 177.721 177.721 177.293 0.428 25913 621 1 3 . 1 1 31 31 ARG CA C 31 58.190 58.190 58.099 0.091 25913 622 1 3 . 1 1 31 31 ARG CB C 31 31.682 31.682 30.740 0.942 25913 623 1 3 . 1 1 31 31 ARG H H 31 9.604 9.604 7.766 1.838 25913 624 1 3 . 1 1 32 32 CYS N N 32 119.758 119.758 113.533 6.225 25913 625 1 3 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.853 -0.014 25913 626 1 3 . 1 1 32 32 CYS C C 32 176.450 176.450 174.421 2.029 25913 627 1 3 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.574 1.136 25913 628 1 3 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.330 3.900 25913 629 1 3 . 1 1 32 32 CYS H H 32 8.549 8.549 7.759 0.790 25913 630 1 3 . 1 1 33 33 GLU N N 33 118.109 118.109 119.751 -1.642 25913 631 1 3 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.033 0.045 25913 632 1 3 . 1 1 33 33 GLU C C 33 174.739 174.739 176.072 -1.333 25913 633 1 3 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.570 0.948 25913 634 1 3 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.087 -0.395 25913 635 1 3 . 1 1 33 33 GLU H H 33 7.868 7.868 8.235 -0.367 25913 636 1 3 . 1 1 34 34 SER N N 34 117.224 117.224 114.781 2.443 25913 637 1 3 . 1 1 34 34 SER HA H 34 4.437 4.437 4.465 -0.028 25913 638 1 3 . 1 1 34 34 SER C C 34 175.392 175.392 175.512 -0.120 25913 639 1 3 . 1 1 34 34 SER CA C 34 59.277 59.277 59.826 -0.549 25913 640 1 3 . 1 1 34 34 SER CB C 34 65.429 65.429 64.332 1.097 25913 641 1 3 . 1 1 34 34 SER H H 34 8.786 8.786 7.997 0.789 25913 642 1 3 . 1 1 35 35 GLY N N 35 111.095 111.095 107.662 3.433 25913 643 1 3 . 1 1 35 35 GLY C C 35 175.730 175.730 174.256 1.474 25913 644 1 3 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.603 0.638 25913 645 1 3 . 1 1 35 35 GLY H H 35 8.511 8.511 8.485 0.026 25913 646 1 3 . 1 1 36 36 PHE N N 36 126.409 126.409 125.354 1.055 25913 647 1 3 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.432 0.719 25913 648 1 3 . 1 1 36 36 PHE C C 36 174.098 174.098 174.318 -0.220 25913 649 1 3 . 1 1 36 36 PHE CA C 36 55.269 55.269 59.528 -4.259 25913 650 1 3 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.674 -1.647 25913 651 1 3 . 1 1 36 36 PHE H H 36 8.850 8.850 7.608 1.242 25913 652 1 3 . 1 1 37 37 ILE N N 37 117.377 117.377 116.280 1.097 25913 653 1 3 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.277 0.079 25913 654 1 3 . 1 1 37 37 ILE C C 37 175.508 175.508 174.838 0.670 25913 655 1 3 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.715 -0.028 25913 656 1 3 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.483 -1.335 25913 657 1 3 . 1 1 37 37 ILE H H 37 7.972 7.972 7.900 0.072 25913 658 1 3 . 1 1 38 38 GLU N N 38 124.869 124.869 123.210 1.659 25913 659 1 3 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.554 0.331 25913 660 1 3 . 1 1 38 38 GLU C C 38 174.300 174.300 175.488 -1.188 25913 661 1 3 . 1 1 38 38 GLU CA C 38 54.656 54.656 53.941 0.715 25913 662 1 3 . 1 1 38 38 GLU CB C 38 34.589 34.589 31.087 3.502 25913 663 1 3 . 1 1 38 38 GLU H H 38 9.131 9.131 8.886 0.245 25913 664 1 3 . 1 1 39 39 GLU N N 39 127.840 127.840 127.263 0.577 25913 665 1 3 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.256 0.592 25913 666 1 3 . 1 1 39 39 GLU C C 39 175.507 175.507 175.695 -0.188 25913 667 1 3 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.898 0.608 25913 668 1 3 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.896 1.353 25913 669 1 3 . 1 1 39 39 GLU H H 39 8.844 8.844 8.607 0.237 25913 670 1 4 . 1 1 0 0 SER HA H 0 4.525 4.525 4.774 -0.249 25913 671 1 4 . 1 1 0 0 SER C C 0 174.776 174.776 173.176 1.600 25913 672 1 4 . 1 1 0 0 SER CA C 0 58.364 58.364 58.008 0.356 25913 673 1 4 . 1 1 0 0 SER CB C 0 64.049 64.049 64.281 -0.232 25913 674 1 4 . 1 1 1 1 MET N N 1 123.174 123.174 124.196 -1.022 25913 675 1 4 . 1 1 1 1 MET HA H 1 4.486 4.486 4.635 -0.149 25913 676 1 4 . 1 1 1 1 MET C C 1 176.177 176.177 176.759 -0.582 25913 677 1 4 . 1 1 1 1 MET CA C 1 55.804 55.804 55.121 0.683 25913 678 1 4 . 1 1 1 1 MET CB C 1 32.941 32.941 33.226 -0.285 25913 679 1 4 . 1 1 1 1 MET H H 1 8.592 8.592 8.598 -0.007 25913 680 1 4 . 1 1 2 2 ALA N N 2 125.785 125.785 126.945 -1.160 25913 681 1 4 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.404 -0.111 25913 682 1 4 . 1 1 2 2 ALA C C 2 177.812 177.812 177.550 0.262 25913 683 1 4 . 1 1 2 2 ALA CA C 2 52.809 52.809 52.528 0.281 25913 684 1 4 . 1 1 2 2 ALA CB C 2 19.224 19.224 18.763 0.461 25913 685 1 4 . 1 1 2 2 ALA H H 2 8.337 8.337 8.629 -0.292 25913 686 1 4 . 1 1 3 3 GLU N N 3 120.731 120.731 119.005 1.726 25913 687 1 4 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.163 0.093 25913 688 1 4 . 1 1 3 3 GLU C C 3 176.186 176.186 176.455 -0.269 25913 689 1 4 . 1 1 3 3 GLU CA C 3 56.377 56.377 57.491 -1.114 25913 690 1 4 . 1 1 3 3 GLU CB C 3 30.549 30.549 29.723 0.826 25913 691 1 4 . 1 1 3 3 GLU H H 3 8.274 8.274 8.397 -0.123 25913 692 1 4 . 1 1 4 4 ALA N N 4 125.716 125.716 123.062 2.654 25913 693 1 4 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.501 -0.156 25913 694 1 4 . 1 1 4 4 ALA C C 4 177.530 177.530 177.229 0.301 25913 695 1 4 . 1 1 4 4 ALA CA C 4 52.413 52.413 51.746 0.667 25913 696 1 4 . 1 1 4 4 ALA CB C 4 19.466 19.466 19.427 0.039 25913 697 1 4 . 1 1 4 4 ALA H H 4 8.271 8.271 7.684 0.587 25913 698 1 4 . 1 1 5 5 SER N N 5 117.161 117.161 119.305 -2.144 25913 699 1 4 . 1 1 5 5 SER HA H 5 4.724 4.724 4.747 -0.023 25913 700 1 4 . 1 1 5 5 SER C C 5 172.661 172.661 173.921 -1.260 25913 701 1 4 . 1 1 5 5 SER CA C 5 56.354 56.354 56.472 -0.118 25913 702 1 4 . 1 1 5 5 SER CB C 5 63.442 63.442 63.182 0.260 25913 703 1 4 . 1 1 5 5 SER H H 5 8.259 8.259 8.540 -0.281 25913 704 1 4 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.452 -0.038 25913 705 1 4 . 1 1 6 6 PRO C C 6 176.523 176.523 175.991 0.532 25913 706 1 4 . 1 1 6 6 PRO CA C 6 63.385 63.385 63.323 0.062 25913 707 1 4 . 1 1 6 6 PRO CB C 6 32.187 32.187 31.924 0.263 25913 708 1 4 . 1 1 7 7 HIS N N 7 120.170 120.170 117.424 2.746 25913 709 1 4 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.383 0.597 25913 710 1 4 . 1 1 7 7 HIS C C 7 172.577 172.577 172.732 -0.155 25913 711 1 4 . 1 1 7 7 HIS CA C 7 53.492 53.492 55.285 -1.792 25913 712 1 4 . 1 1 7 7 HIS CB C 7 29.133 29.133 29.537 -0.404 25913 713 1 4 . 1 1 7 7 HIS H H 7 8.489 8.489 7.860 0.629 25913 714 1 4 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.471 0.075 25913 715 1 4 . 1 1 8 8 PRO C C 8 177.382 177.382 176.202 1.180 25913 716 1 4 . 1 1 8 8 PRO CA C 8 63.443 63.443 63.390 0.053 25913 717 1 4 . 1 1 8 8 PRO CB C 8 32.377 32.377 31.951 0.425 25913 718 1 4 . 1 1 9 9 GLY N N 9 110.263 110.263 108.815 1.448 25913 719 1 4 . 1 1 9 9 GLY C C 9 172.859 172.859 173.258 -0.399 25913 720 1 4 . 1 1 9 9 GLY CA C 9 45.211 45.211 45.804 -0.593 25913 721 1 4 . 1 1 9 9 GLY H H 9 8.635 8.635 8.881 -0.246 25913 722 1 4 . 1 1 10 10 ARG N N 10 121.025 121.025 122.782 -1.757 25913 723 1 4 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.636 0.146 25913 724 1 4 . 1 1 10 10 ARG C C 10 175.125 175.125 174.843 0.282 25913 725 1 4 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.132 -0.776 25913 726 1 4 . 1 1 10 10 ARG CB C 10 32.982 32.982 28.847 4.135 25913 727 1 4 . 1 1 10 10 ARG H H 10 8.229 8.229 7.913 0.316 25913 728 1 4 . 1 1 11 11 TYR N N 11 121.353 121.353 123.832 -2.479 25913 729 1 4 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.600 -0.272 25913 730 1 4 . 1 1 11 11 TYR C C 11 174.229 174.229 174.809 -0.580 25913 731 1 4 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.238 0.811 25913 732 1 4 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.348 -0.297 25913 733 1 4 . 1 1 11 11 TYR H H 11 8.692 8.692 9.356 -0.664 25913 734 1 4 . 1 1 12 12 PHE N N 12 122.456 122.456 122.195 0.261 25913 735 1 4 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.304 -0.420 25913 736 1 4 . 1 1 12 12 PHE C C 12 174.224 174.224 174.646 -0.422 25913 737 1 4 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.363 0.656 25913 738 1 4 . 1 1 12 12 PHE CB C 12 44.078 44.078 41.971 2.107 25913 739 1 4 . 1 1 12 12 PHE H H 12 9.415 9.415 9.232 0.183 25913 740 1 4 . 1 1 13 13 CYS N N 13 128.438 128.438 128.509 -0.071 25913 741 1 4 . 1 1 13 13 CYS HA H 13 4.653 4.653 5.066 -0.413 25913 742 1 4 . 1 1 13 13 CYS C C 13 176.686 176.686 175.260 1.426 25913 743 1 4 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.525 0.803 25913 744 1 4 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.317 2.903 25913 745 1 4 . 1 1 13 13 CYS H H 13 7.942 7.942 8.934 -0.992 25913 746 1 4 . 1 1 14 14 HIS N N 14 126.467 126.467 126.018 0.449 25913 747 1 4 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.642 -0.319 25913 748 1 4 . 1 1 14 14 HIS C C 14 175.452 175.452 176.043 -0.591 25913 749 1 4 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.294 0.442 25913 750 1 4 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.559 -1.368 25913 751 1 4 . 1 1 14 14 HIS H H 14 8.971 8.971 9.468 -0.497 25913 752 1 4 . 1 1 15 15 CYS N N 15 123.882 123.882 117.373 6.509 25913 753 1 4 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.433 0.009 25913 754 1 4 . 1 1 15 15 CYS C C 15 176.939 176.939 175.730 1.209 25913 755 1 4 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.225 0.479 25913 756 1 4 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.380 -0.039 25913 757 1 4 . 1 1 15 15 CYS H H 15 9.195 9.195 8.220 0.975 25913 758 1 4 . 1 1 16 16 CYS N N 16 124.898 124.898 119.446 5.452 25913 759 1 4 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.577 -0.579 25913 760 1 4 . 1 1 16 16 CYS C C 16 175.557 175.557 174.592 0.965 25913 761 1 4 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.939 3.022 25913 762 1 4 . 1 1 16 16 CYS H H 16 9.794 9.794 7.923 1.871 25913 763 1 4 . 1 1 17 17 SER N N 17 114.055 114.055 114.576 -0.521 25913 764 1 4 . 1 1 17 17 SER HA H 17 3.755 3.755 3.996 -0.241 25913 765 1 4 . 1 1 17 17 SER C C 17 173.790 173.790 173.176 0.614 25913 766 1 4 . 1 1 17 17 SER CA C 17 58.868 58.868 59.678 -0.810 25913 767 1 4 . 1 1 17 17 SER CB C 17 61.703 61.703 60.372 1.331 25913 768 1 4 . 1 1 17 17 SER H H 17 7.950 7.950 8.261 -0.311 25913 769 1 4 . 1 1 18 18 VAL N N 18 111.916 111.916 111.956 -0.040 25913 770 1 4 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.295 0.163 25913 771 1 4 . 1 1 18 18 VAL C C 18 173.765 173.765 173.698 0.067 25913 772 1 4 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.151 -0.119 25913 773 1 4 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.457 1.210 25913 774 1 4 . 1 1 18 18 VAL H H 18 6.438 6.438 7.008 -0.570 25913 775 1 4 . 1 1 19 19 GLU N N 19 123.431 123.431 122.229 1.202 25913 776 1 4 . 1 1 19 19 GLU HA H 19 5.023 5.023 5.155 -0.132 25913 777 1 4 . 1 1 19 19 GLU C C 19 176.506 176.506 176.021 0.485 25913 778 1 4 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.150 0.668 25913 779 1 4 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.552 -0.387 25913 780 1 4 . 1 1 19 19 GLU H H 19 8.346 8.346 8.416 -0.070 25913 781 1 4 . 1 1 20 20 ILE N N 20 117.751 117.751 121.131 -3.380 25913 782 1 4 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.786 -0.045 25913 783 1 4 . 1 1 20 20 ILE C C 20 175.511 175.511 173.903 1.608 25913 784 1 4 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.327 -0.382 25913 785 1 4 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.842 2.825 25913 786 1 4 . 1 1 20 20 ILE H H 20 8.537 8.537 8.803 -0.266 25913 787 1 4 . 1 1 21 21 VAL N N 21 124.220 124.220 121.407 2.813 25913 788 1 4 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.200 -0.614 25913 789 1 4 . 1 1 21 21 VAL C C 21 174.640 174.640 174.111 0.529 25913 790 1 4 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.864 1.854 25913 791 1 4 . 1 1 21 21 VAL CB C 21 32.503 32.503 34.069 -1.566 25913 792 1 4 . 1 1 21 21 VAL H H 21 8.203 8.203 8.349 -0.146 25913 793 1 4 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.654 -0.595 25913 794 1 4 . 1 1 22 22 PRO C C 22 175.352 175.352 176.139 -0.787 25913 795 1 4 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.850 -0.189 25913 796 1 4 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.223 -0.209 25913 797 1 4 . 1 1 23 23 ARG N N 23 121.370 121.370 123.365 -1.995 25913 798 1 4 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.194 0.061 25913 799 1 4 . 1 1 23 23 ARG C C 23 175.759 175.759 176.708 -0.949 25913 800 1 4 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.106 -0.054 25913 801 1 4 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.368 1.518 25913 802 1 4 . 1 1 23 23 ARG H H 23 8.635 8.635 8.200 0.435 25913 803 1 4 . 1 1 24 24 LEU N N 24 127.914 127.914 126.154 1.760 25913 804 1 4 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.639 0.534 25913 805 1 4 . 1 1 24 24 LEU C C 24 175.774 175.774 176.153 -0.379 25913 806 1 4 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.434 -5.496 25913 807 1 4 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.276 2.144 25913 808 1 4 . 1 1 24 24 LEU H H 24 8.521 8.521 8.696 -0.175 25913 809 1 4 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.168 0.172 25913 810 1 4 . 1 1 25 25 PRO C C 25 176.386 176.386 176.995 -0.609 25913 811 1 4 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.935 -1.268 25913 812 1 4 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.683 2.993 25913 813 1 4 . 1 1 26 26 ASP N N 26 122.078 122.078 113.826 8.252 25913 814 1 4 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.692 -0.305 25913 815 1 4 . 1 1 26 26 ASP C C 26 175.321 175.321 175.570 -0.249 25913 816 1 4 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.347 2.007 25913 817 1 4 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.135 -1.069 25913 818 1 4 . 1 1 26 26 ASP H H 26 8.752 8.752 7.640 1.112 25913 819 1 4 . 1 1 27 27 TYR N N 27 117.607 117.607 117.449 0.158 25913 820 1 4 . 1 1 27 27 TYR HA H 27 3.449 3.449 4.031 -0.582 25913 821 1 4 . 1 1 27 27 TYR C C 27 173.074 173.074 174.574 -1.500 25913 822 1 4 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.318 1.119 25913 823 1 4 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.631 -0.571 25913 824 1 4 . 1 1 27 27 TYR H H 27 8.666 8.666 7.987 0.679 25913 825 1 4 . 1 1 28 28 ILE N N 28 111.804 111.804 112.757 -0.953 25913 826 1 4 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.531 0.244 25913 827 1 4 . 1 1 28 28 ILE C C 28 175.083 175.083 174.869 0.214 25913 828 1 4 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.638 -1.069 25913 829 1 4 . 1 1 28 28 ILE CB C 28 42.107 42.107 40.830 1.277 25913 830 1 4 . 1 1 28 28 ILE H H 28 6.761 6.761 7.332 -0.571 25913 831 1 4 . 1 1 29 29 CYS N N 29 126.875 126.875 118.808 8.067 25913 832 1 4 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.763 -0.355 25913 833 1 4 . 1 1 29 29 CYS C C 29 175.932 175.932 175.060 0.872 25913 834 1 4 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.895 0.507 25913 835 1 4 . 1 1 29 29 CYS CB C 29 32.214 32.214 27.950 4.264 25913 836 1 4 . 1 1 29 29 CYS H H 29 8.783 8.783 8.706 0.077 25913 837 1 4 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.472 -0.090 25913 838 1 4 . 1 1 30 30 PRO C C 30 176.824 176.824 177.205 -0.381 25913 839 1 4 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.429 -0.389 25913 840 1 4 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.958 0.386 25913 841 1 4 . 1 1 31 31 ARG N N 31 124.131 124.131 116.890 7.241 25913 842 1 4 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.424 -0.123 25913 843 1 4 . 1 1 31 31 ARG C C 31 177.721 177.721 177.182 0.539 25913 844 1 4 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.751 0.439 25913 845 1 4 . 1 1 31 31 ARG CB C 31 31.682 31.682 30.990 0.692 25913 846 1 4 . 1 1 31 31 ARG H H 31 9.604 9.604 7.671 1.933 25913 847 1 4 . 1 1 32 32 CYS N N 32 119.758 119.758 113.910 5.848 25913 848 1 4 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.841 -0.002 25913 849 1 4 . 1 1 32 32 CYS C C 32 176.450 176.450 174.485 1.965 25913 850 1 4 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.633 1.077 25913 851 1 4 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.296 3.934 25913 852 1 4 . 1 1 32 32 CYS H H 32 8.549 8.549 7.782 0.767 25913 853 1 4 . 1 1 33 33 GLU N N 33 118.109 118.109 119.856 -1.747 25913 854 1 4 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.056 0.022 25913 855 1 4 . 1 1 33 33 GLU C C 33 174.739 174.739 176.086 -1.347 25913 856 1 4 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.558 0.960 25913 857 1 4 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.150 -0.458 25913 858 1 4 . 1 1 33 33 GLU H H 33 7.868 7.868 8.188 -0.320 25913 859 1 4 . 1 1 34 34 SER N N 34 117.224 117.224 114.843 2.381 25913 860 1 4 . 1 1 34 34 SER HA H 34 4.437 4.437 4.487 -0.050 25913 861 1 4 . 1 1 34 34 SER C C 34 175.392 175.392 175.521 -0.129 25913 862 1 4 . 1 1 34 34 SER CA C 34 59.277 59.277 59.758 -0.481 25913 863 1 4 . 1 1 34 34 SER CB C 34 65.429 65.429 64.376 1.053 25913 864 1 4 . 1 1 34 34 SER H H 34 8.786 8.786 8.028 0.758 25913 865 1 4 . 1 1 35 35 GLY N N 35 111.095 111.095 107.855 3.240 25913 866 1 4 . 1 1 35 35 GLY C C 35 175.730 175.730 174.337 1.393 25913 867 1 4 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.609 0.632 25913 868 1 4 . 1 1 35 35 GLY H H 35 8.511 8.511 8.451 0.060 25913 869 1 4 . 1 1 36 36 PHE N N 36 126.409 126.409 125.141 1.268 25913 870 1 4 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.465 0.686 25913 871 1 4 . 1 1 36 36 PHE C C 36 174.098 174.098 174.737 -0.639 25913 872 1 4 . 1 1 36 36 PHE CA C 36 55.269 55.269 59.129 -3.860 25913 873 1 4 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.680 -1.653 25913 874 1 4 . 1 1 36 36 PHE H H 36 8.850 8.850 7.653 1.197 25913 875 1 4 . 1 1 37 37 ILE N N 37 117.377 117.377 116.261 1.116 25913 876 1 4 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.456 -0.100 25913 877 1 4 . 1 1 37 37 ILE C C 37 175.508 175.508 174.863 0.645 25913 878 1 4 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.768 -0.081 25913 879 1 4 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.543 -1.395 25913 880 1 4 . 1 1 37 37 ILE H H 37 7.972 7.972 7.906 0.066 25913 881 1 4 . 1 1 38 38 GLU N N 38 124.869 124.869 123.507 1.362 25913 882 1 4 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.649 0.236 25913 883 1 4 . 1 1 38 38 GLU C C 38 174.300 174.300 175.313 -1.013 25913 884 1 4 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.906 -0.250 25913 885 1 4 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.598 1.991 25913 886 1 4 . 1 1 38 38 GLU H H 38 9.131 9.131 8.983 0.148 25913 887 1 4 . 1 1 39 39 GLU N N 39 127.840 127.840 126.537 1.303 25913 888 1 4 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.262 0.586 25913 889 1 4 . 1 1 39 39 GLU C C 39 175.507 175.507 175.480 0.027 25913 890 1 4 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.759 0.746 25913 891 1 4 . 1 1 39 39 GLU CB C 39 30.249 30.249 29.229 1.020 25913 892 1 4 . 1 1 39 39 GLU H H 39 8.844 8.844 8.622 0.222 25913 893 1 5 . 1 1 0 0 SER HA H 0 4.525 4.525 4.434 0.091 25913 894 1 5 . 1 1 0 0 SER C C 0 174.776 174.776 174.181 0.595 25913 895 1 5 . 1 1 0 0 SER CA C 0 58.364 58.364 59.158 -0.794 25913 896 1 5 . 1 1 0 0 SER CB C 0 64.049 64.049 63.366 0.683 25913 897 1 5 . 1 1 1 1 MET N N 1 123.174 123.174 126.454 -3.280 25913 898 1 5 . 1 1 1 1 MET HA H 1 4.486 4.486 4.645 -0.159 25913 899 1 5 . 1 1 1 1 MET C C 1 176.177 176.177 175.128 1.049 25913 900 1 5 . 1 1 1 1 MET CA C 1 55.804 55.804 55.452 0.352 25913 901 1 5 . 1 1 1 1 MET CB C 1 32.941 32.941 33.904 -0.963 25913 902 1 5 . 1 1 1 1 MET H H 1 8.592 8.592 8.426 0.166 25913 903 1 5 . 1 1 2 2 ALA N N 2 125.785 125.785 124.352 1.433 25913 904 1 5 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.377 -0.084 25913 905 1 5 . 1 1 2 2 ALA C C 2 177.812 177.812 177.763 0.049 25913 906 1 5 . 1 1 2 2 ALA CA C 2 52.809 52.809 52.995 -0.186 25913 907 1 5 . 1 1 2 2 ALA CB C 2 19.224 19.224 18.558 0.666 25913 908 1 5 . 1 1 2 2 ALA H H 2 8.337 8.337 8.359 -0.022 25913 909 1 5 . 1 1 3 3 GLU N N 3 120.731 120.731 119.335 1.396 25913 910 1 5 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.161 0.095 25913 911 1 5 . 1 1 3 3 GLU C C 3 176.186 176.186 176.845 -0.659 25913 912 1 5 . 1 1 3 3 GLU CA C 3 56.377 56.377 57.486 -1.109 25913 913 1 5 . 1 1 3 3 GLU CB C 3 30.549 30.549 28.657 1.892 25913 914 1 5 . 1 1 3 3 GLU H H 3 8.274 8.274 8.279 -0.005 25913 915 1 5 . 1 1 4 4 ALA N N 4 125.716 125.716 120.841 4.875 25913 916 1 5 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.509 -0.164 25913 917 1 5 . 1 1 4 4 ALA C C 4 177.530 177.530 177.318 0.212 25913 918 1 5 . 1 1 4 4 ALA CA C 4 52.413 52.413 52.210 0.203 25913 919 1 5 . 1 1 4 4 ALA CB C 4 19.466 19.466 20.344 -0.878 25913 920 1 5 . 1 1 4 4 ALA H H 4 8.271 8.271 7.860 0.411 25913 921 1 5 . 1 1 5 5 SER N N 5 117.161 117.161 115.788 1.373 25913 922 1 5 . 1 1 5 5 SER HA H 5 4.724 4.724 4.943 -0.219 25913 923 1 5 . 1 1 5 5 SER C C 5 172.661 172.661 171.796 0.865 25913 924 1 5 . 1 1 5 5 SER CA C 5 56.354 56.354 55.967 0.387 25913 925 1 5 . 1 1 5 5 SER CB C 5 63.442 63.442 64.088 -0.645 25913 926 1 5 . 1 1 5 5 SER H H 5 8.259 8.259 8.015 0.244 25913 927 1 5 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.809 -0.395 25913 928 1 5 . 1 1 6 6 PRO C C 6 176.523 176.523 175.903 0.620 25913 929 1 5 . 1 1 6 6 PRO CA C 6 63.385 63.385 63.044 0.341 25913 930 1 5 . 1 1 6 6 PRO CB C 6 32.187 32.187 32.377 -0.190 25913 931 1 5 . 1 1 7 7 HIS N N 7 120.170 120.170 119.542 0.628 25913 932 1 5 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.932 0.048 25913 933 1 5 . 1 1 7 7 HIS C C 7 172.577 172.577 173.193 -0.616 25913 934 1 5 . 1 1 7 7 HIS CA C 7 53.492 53.492 52.664 0.828 25913 935 1 5 . 1 1 7 7 HIS CB C 7 29.133 29.133 30.114 -0.981 25913 936 1 5 . 1 1 7 7 HIS H H 7 8.489 8.489 7.915 0.574 25913 937 1 5 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.535 0.011 25913 938 1 5 . 1 1 8 8 PRO C C 8 177.382 177.382 176.232 1.150 25913 939 1 5 . 1 1 8 8 PRO CA C 8 63.443 63.443 63.100 0.343 25913 940 1 5 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.760 -0.383 25913 941 1 5 . 1 1 9 9 GLY N N 9 110.263 110.263 109.527 0.736 25913 942 1 5 . 1 1 9 9 GLY C C 9 172.859 172.859 173.384 -0.525 25913 943 1 5 . 1 1 9 9 GLY CA C 9 45.211 45.211 46.259 -1.048 25913 944 1 5 . 1 1 9 9 GLY H H 9 8.635 8.635 8.994 -0.359 25913 945 1 5 . 1 1 10 10 ARG N N 10 121.025 121.025 122.946 -1.921 25913 946 1 5 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.775 0.007 25913 947 1 5 . 1 1 10 10 ARG C C 10 175.125 175.125 174.799 0.326 25913 948 1 5 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.070 -0.714 25913 949 1 5 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.545 3.437 25913 950 1 5 . 1 1 10 10 ARG H H 10 8.229 8.229 7.964 0.265 25913 951 1 5 . 1 1 11 11 TYR N N 11 121.353 121.353 123.459 -2.106 25913 952 1 5 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.689 -0.361 25913 953 1 5 . 1 1 11 11 TYR C C 11 174.229 174.229 174.639 -0.410 25913 954 1 5 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.068 0.981 25913 955 1 5 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.653 -0.602 25913 956 1 5 . 1 1 11 11 TYR H H 11 8.692 8.692 9.334 -0.642 25913 957 1 5 . 1 1 12 12 PHE N N 12 122.456 122.456 122.065 0.391 25913 958 1 5 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.281 -0.397 25913 959 1 5 . 1 1 12 12 PHE C C 12 174.224 174.224 174.735 -0.511 25913 960 1 5 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.465 0.554 25913 961 1 5 . 1 1 12 12 PHE CB C 12 44.078 44.078 41.976 2.102 25913 962 1 5 . 1 1 12 12 PHE H H 12 9.415 9.415 9.101 0.314 25913 963 1 5 . 1 1 13 13 CYS N N 13 128.438 128.438 128.421 0.017 25913 964 1 5 . 1 1 13 13 CYS HA H 13 4.653 4.653 5.015 -0.362 25913 965 1 5 . 1 1 13 13 CYS C C 13 176.686 176.686 175.353 1.333 25913 966 1 5 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.722 0.606 25913 967 1 5 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.237 2.983 25913 968 1 5 . 1 1 13 13 CYS H H 13 7.942 7.942 8.908 -0.966 25913 969 1 5 . 1 1 14 14 HIS N N 14 126.467 126.467 125.453 1.014 25913 970 1 5 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.588 -0.265 25913 971 1 5 . 1 1 14 14 HIS C C 14 175.452 175.452 176.640 -1.188 25913 972 1 5 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.594 0.142 25913 973 1 5 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.649 -1.458 25913 974 1 5 . 1 1 14 14 HIS H H 14 8.971 8.971 9.556 -0.585 25913 975 1 5 . 1 1 15 15 CYS N N 15 123.882 123.882 118.021 5.861 25913 976 1 5 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.243 0.199 25913 977 1 5 . 1 1 15 15 CYS C C 15 176.939 176.939 175.968 0.971 25913 978 1 5 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.970 -0.266 25913 979 1 5 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.397 -0.056 25913 980 1 5 . 1 1 15 15 CYS H H 15 9.195 9.195 8.544 0.651 25913 981 1 5 . 1 1 16 16 CYS N N 16 124.898 124.898 118.956 5.942 25913 982 1 5 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.548 -0.550 25913 983 1 5 . 1 1 16 16 CYS C C 16 175.557 175.557 174.734 0.823 25913 984 1 5 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.618 3.343 25913 985 1 5 . 1 1 16 16 CYS H H 16 9.794 9.794 8.145 1.649 25913 986 1 5 . 1 1 17 17 SER N N 17 114.055 114.055 113.749 0.306 25913 987 1 5 . 1 1 17 17 SER HA H 17 3.755 3.755 4.130 -0.375 25913 988 1 5 . 1 1 17 17 SER C C 17 173.790 173.790 173.280 0.510 25913 989 1 5 . 1 1 17 17 SER CA C 17 58.868 58.868 59.601 -0.733 25913 990 1 5 . 1 1 17 17 SER CB C 17 61.703 61.703 60.402 1.301 25913 991 1 5 . 1 1 17 17 SER H H 17 7.950 7.950 7.977 -0.027 25913 992 1 5 . 1 1 18 18 VAL N N 18 111.916 111.916 111.914 0.002 25913 993 1 5 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.275 0.183 25913 994 1 5 . 1 1 18 18 VAL C C 18 173.765 173.765 173.605 0.160 25913 995 1 5 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.015 0.017 25913 996 1 5 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.368 1.298 25913 997 1 5 . 1 1 18 18 VAL H H 18 6.438 6.438 7.009 -0.571 25913 998 1 5 . 1 1 19 19 GLU N N 19 123.431 123.431 121.456 1.975 25913 999 1 5 . 1 1 19 19 GLU HA H 19 5.023 5.023 4.912 0.111 25913 1000 1 5 . 1 1 19 19 GLU C C 19 176.506 176.506 176.174 0.332 25913 1001 1 5 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.504 0.314 25913 1002 1 5 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.547 -0.382 25913 1003 1 5 . 1 1 19 19 GLU H H 19 8.346 8.346 8.399 -0.053 25913 1004 1 5 . 1 1 20 20 ILE N N 20 117.751 117.751 120.717 -2.966 25913 1005 1 5 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.774 -0.033 25913 1006 1 5 . 1 1 20 20 ILE C C 20 175.511 175.511 173.768 1.743 25913 1007 1 5 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.430 -0.485 25913 1008 1 5 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.812 2.855 25913 1009 1 5 . 1 1 20 20 ILE H H 20 8.537 8.537 8.842 -0.305 25913 1010 1 5 . 1 1 21 21 VAL N N 21 124.220 124.220 121.419 2.801 25913 1011 1 5 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.188 -0.602 25913 1012 1 5 . 1 1 21 21 VAL C C 21 174.640 174.640 174.051 0.589 25913 1013 1 5 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.828 1.890 25913 1014 1 5 . 1 1 21 21 VAL CB C 21 32.503 32.503 34.265 -1.762 25913 1015 1 5 . 1 1 21 21 VAL H H 21 8.203 8.203 8.339 -0.136 25913 1016 1 5 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.715 -0.656 25913 1017 1 5 . 1 1 22 22 PRO C C 22 175.352 175.352 176.107 -0.755 25913 1018 1 5 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.619 0.042 25913 1019 1 5 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.349 -0.335 25913 1020 1 5 . 1 1 23 23 ARG N N 23 121.370 121.370 122.570 -1.200 25913 1021 1 5 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.261 -0.006 25913 1022 1 5 . 1 1 23 23 ARG C C 23 175.759 175.759 176.704 -0.945 25913 1023 1 5 . 1 1 23 23 ARG CA C 23 56.052 56.052 55.923 0.128 25913 1024 1 5 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.228 1.658 25913 1025 1 5 . 1 1 23 23 ARG H H 23 8.635 8.635 8.230 0.405 25913 1026 1 5 . 1 1 24 24 LEU N N 24 127.914 127.914 126.927 0.987 25913 1027 1 5 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.666 0.507 25913 1028 1 5 . 1 1 24 24 LEU C C 24 175.774 175.774 175.965 -0.191 25913 1029 1 5 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.686 -5.748 25913 1030 1 5 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.035 2.385 25913 1031 1 5 . 1 1 24 24 LEU H H 24 8.521 8.521 8.680 -0.159 25913 1032 1 5 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.133 0.207 25913 1033 1 5 . 1 1 25 25 PRO C C 25 176.386 176.386 177.146 -0.760 25913 1034 1 5 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.567 -0.900 25913 1035 1 5 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.733 2.943 25913 1036 1 5 . 1 1 26 26 ASP N N 26 122.078 122.078 114.156 7.922 25913 1037 1 5 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.673 -0.286 25913 1038 1 5 . 1 1 26 26 ASP C C 26 175.321 175.321 175.898 -0.577 25913 1039 1 5 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.359 1.996 25913 1040 1 5 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.959 -1.893 25913 1041 1 5 . 1 1 26 26 ASP H H 26 8.752 8.752 7.719 1.033 25913 1042 1 5 . 1 1 27 27 TYR N N 27 117.607 117.607 117.737 -0.130 25913 1043 1 5 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.956 -0.507 25913 1044 1 5 . 1 1 27 27 TYR C C 27 173.074 173.074 174.471 -1.397 25913 1045 1 5 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.382 1.055 25913 1046 1 5 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.515 -0.455 25913 1047 1 5 . 1 1 27 27 TYR H H 27 8.666 8.666 8.071 0.595 25913 1048 1 5 . 1 1 28 28 ILE N N 28 111.804 111.804 112.547 -0.743 25913 1049 1 5 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.529 0.246 25913 1050 1 5 . 1 1 28 28 ILE C C 28 175.083 175.083 174.868 0.215 25913 1051 1 5 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.756 -1.187 25913 1052 1 5 . 1 1 28 28 ILE CB C 28 42.107 42.107 40.921 1.186 25913 1053 1 5 . 1 1 28 28 ILE H H 28 6.761 6.761 7.246 -0.485 25913 1054 1 5 . 1 1 29 29 CYS N N 29 126.875 126.875 118.996 7.879 25913 1055 1 5 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.771 -0.363 25913 1056 1 5 . 1 1 29 29 CYS C C 29 175.932 175.932 175.126 0.806 25913 1057 1 5 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.823 0.579 25913 1058 1 5 . 1 1 29 29 CYS CB C 29 32.214 32.214 28.077 4.137 25913 1059 1 5 . 1 1 29 29 CYS H H 29 8.783 8.783 8.747 0.036 25913 1060 1 5 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.438 -0.056 25913 1061 1 5 . 1 1 30 30 PRO C C 30 176.824 176.824 177.388 -0.564 25913 1062 1 5 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.523 -0.483 25913 1063 1 5 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.957 0.387 25913 1064 1 5 . 1 1 31 31 ARG N N 31 124.131 124.131 117.050 7.081 25913 1065 1 5 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.427 -0.126 25913 1066 1 5 . 1 1 31 31 ARG C C 31 177.721 177.721 177.157 0.564 25913 1067 1 5 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.705 0.485 25913 1068 1 5 . 1 1 31 31 ARG CB C 31 31.682 31.682 30.989 0.693 25913 1069 1 5 . 1 1 31 31 ARG H H 31 9.604 9.604 7.723 1.881 25913 1070 1 5 . 1 1 32 32 CYS N N 32 119.758 119.758 113.931 5.827 25913 1071 1 5 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.845 -0.006 25913 1072 1 5 . 1 1 32 32 CYS C C 32 176.450 176.450 174.313 2.137 25913 1073 1 5 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.626 1.084 25913 1074 1 5 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.453 3.777 25913 1075 1 5 . 1 1 32 32 CYS H H 32 8.549 8.549 7.734 0.815 25913 1076 1 5 . 1 1 33 33 GLU N N 33 118.109 118.109 119.817 -1.708 25913 1077 1 5 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.109 -0.031 25913 1078 1 5 . 1 1 33 33 GLU C C 33 174.739 174.739 176.015 -1.276 25913 1079 1 5 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.563 0.955 25913 1080 1 5 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.206 -0.514 25913 1081 1 5 . 1 1 33 33 GLU H H 33 7.868 7.868 8.267 -0.399 25913 1082 1 5 . 1 1 34 34 SER N N 34 117.224 117.224 115.000 2.224 25913 1083 1 5 . 1 1 34 34 SER HA H 34 4.437 4.437 4.502 -0.065 25913 1084 1 5 . 1 1 34 34 SER C C 34 175.392 175.392 175.580 -0.188 25913 1085 1 5 . 1 1 34 34 SER CA C 34 59.277 59.277 59.739 -0.461 25913 1086 1 5 . 1 1 34 34 SER CB C 34 65.429 65.429 64.482 0.947 25913 1087 1 5 . 1 1 34 34 SER H H 34 8.786 8.786 7.915 0.871 25913 1088 1 5 . 1 1 35 35 GLY N N 35 111.095 111.095 107.746 3.349 25913 1089 1 5 . 1 1 35 35 GLY C C 35 175.730 175.730 174.424 1.306 25913 1090 1 5 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.701 0.540 25913 1091 1 5 . 1 1 35 35 GLY H H 35 8.511 8.511 8.541 -0.030 25913 1092 1 5 . 1 1 36 36 PHE N N 36 126.409 126.409 124.869 1.540 25913 1093 1 5 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.507 0.644 25913 1094 1 5 . 1 1 36 36 PHE C C 36 174.098 174.098 174.579 -0.481 25913 1095 1 5 . 1 1 36 36 PHE CA C 36 55.269 55.269 58.256 -2.987 25913 1096 1 5 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.460 -1.433 25913 1097 1 5 . 1 1 36 36 PHE H H 36 8.850 8.850 7.715 1.135 25913 1098 1 5 . 1 1 37 37 ILE N N 37 117.377 117.377 115.846 1.531 25913 1099 1 5 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.415 -0.059 25913 1100 1 5 . 1 1 37 37 ILE C C 37 175.508 175.508 174.891 0.617 25913 1101 1 5 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.714 -0.027 25913 1102 1 5 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.553 -1.405 25913 1103 1 5 . 1 1 37 37 ILE H H 37 7.972 7.972 7.831 0.141 25913 1104 1 5 . 1 1 38 38 GLU N N 38 124.869 124.869 123.244 1.625 25913 1105 1 5 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.596 0.289 25913 1106 1 5 . 1 1 38 38 GLU C C 38 174.300 174.300 175.355 -1.055 25913 1107 1 5 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.902 -0.246 25913 1108 1 5 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.196 2.393 25913 1109 1 5 . 1 1 38 38 GLU H H 38 9.131 9.131 8.939 0.192 25913 1110 1 5 . 1 1 39 39 GLU N N 39 127.840 127.840 127.197 0.643 25913 1111 1 5 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.352 0.496 25913 1112 1 5 . 1 1 39 39 GLU C C 39 175.507 175.507 175.690 -0.183 25913 1113 1 5 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.924 0.581 25913 1114 1 5 . 1 1 39 39 GLU CB C 39 30.249 30.249 29.132 1.117 25913 1115 1 5 . 1 1 39 39 GLU H H 39 8.844 8.844 8.614 0.230 25913 1116 1 6 . 1 1 0 0 SER HA H 0 4.525 4.525 4.644 -0.119 25913 1117 1 6 . 1 1 0 0 SER C C 0 174.776 174.776 174.125 0.651 25913 1118 1 6 . 1 1 0 0 SER CA C 0 58.364 58.364 58.617 -0.253 25913 1119 1 6 . 1 1 0 0 SER CB C 0 64.049 64.049 64.272 -0.223 25913 1120 1 6 . 1 1 1 1 MET N N 1 123.174 123.174 124.867 -1.693 25913 1121 1 6 . 1 1 1 1 MET HA H 1 4.486 4.486 4.478 0.008 25913 1122 1 6 . 1 1 1 1 MET C C 1 176.177 176.177 176.026 0.151 25913 1123 1 6 . 1 1 1 1 MET CA C 1 55.804 55.804 55.057 0.747 25913 1124 1 6 . 1 1 1 1 MET CB C 1 32.941 32.941 30.116 2.825 25913 1125 1 6 . 1 1 1 1 MET H H 1 8.592 8.592 8.765 -0.173 25913 1126 1 6 . 1 1 2 2 ALA N N 2 125.785 125.785 125.928 -0.143 25913 1127 1 6 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.437 -0.144 25913 1128 1 6 . 1 1 2 2 ALA C C 2 177.812 177.812 177.676 0.136 25913 1129 1 6 . 1 1 2 2 ALA CA C 2 52.809 52.809 52.562 0.247 25913 1130 1 6 . 1 1 2 2 ALA CB C 2 19.224 19.224 19.756 -0.532 25913 1131 1 6 . 1 1 2 2 ALA H H 2 8.337 8.337 8.076 0.261 25913 1132 1 6 . 1 1 3 3 GLU N N 3 120.731 120.731 119.639 1.092 25913 1133 1 6 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.472 -0.216 25913 1134 1 6 . 1 1 3 3 GLU C C 3 176.186 176.186 175.410 0.776 25913 1135 1 6 . 1 1 3 3 GLU CA C 3 56.377 56.377 56.236 0.141 25913 1136 1 6 . 1 1 3 3 GLU CB C 3 30.549 30.549 29.616 0.933 25913 1137 1 6 . 1 1 3 3 GLU H H 3 8.274 8.274 8.388 -0.114 25913 1138 1 6 . 1 1 4 4 ALA N N 4 125.716 125.716 127.898 -2.182 25913 1139 1 6 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.656 -0.311 25913 1140 1 6 . 1 1 4 4 ALA C C 4 177.530 177.530 177.722 -0.192 25913 1141 1 6 . 1 1 4 4 ALA CA C 4 52.413 52.413 52.541 -0.128 25913 1142 1 6 . 1 1 4 4 ALA CB C 4 19.466 19.466 19.358 0.108 25913 1143 1 6 . 1 1 4 4 ALA H H 4 8.271 8.271 8.505 -0.234 25913 1144 1 6 . 1 1 5 5 SER N N 5 117.161 117.161 116.060 1.101 25913 1145 1 6 . 1 1 5 5 SER HA H 5 4.724 4.724 4.842 -0.118 25913 1146 1 6 . 1 1 5 5 SER C C 5 172.661 172.661 171.984 0.677 25913 1147 1 6 . 1 1 5 5 SER CA C 5 56.354 56.354 56.207 0.147 25913 1148 1 6 . 1 1 5 5 SER CB C 5 63.442 63.442 63.649 -0.207 25913 1149 1 6 . 1 1 5 5 SER H H 5 8.259 8.259 8.098 0.161 25913 1150 1 6 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.408 0.006 25913 1151 1 6 . 1 1 6 6 PRO C C 6 176.523 176.523 175.917 0.606 25913 1152 1 6 . 1 1 6 6 PRO CA C 6 63.385 63.385 63.438 -0.053 25913 1153 1 6 . 1 1 6 6 PRO CB C 6 32.187 32.187 31.383 0.804 25913 1154 1 6 . 1 1 7 7 HIS N N 7 120.170 120.170 125.921 -5.751 25913 1155 1 6 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.783 0.197 25913 1156 1 6 . 1 1 7 7 HIS C C 7 172.577 172.577 173.691 -1.114 25913 1157 1 6 . 1 1 7 7 HIS CA C 7 53.492 53.492 53.708 -0.216 25913 1158 1 6 . 1 1 7 7 HIS CB C 7 29.133 29.133 30.956 -1.823 25913 1159 1 6 . 1 1 7 7 HIS H H 7 8.489 8.489 8.069 0.420 25913 1160 1 6 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.566 -0.020 25913 1161 1 6 . 1 1 8 8 PRO C C 8 177.382 177.382 175.802 1.580 25913 1162 1 6 . 1 1 8 8 PRO CA C 8 63.443 63.443 62.544 0.899 25913 1163 1 6 . 1 1 8 8 PRO CB C 8 32.377 32.377 33.127 -0.750 25913 1164 1 6 . 1 1 9 9 GLY N N 9 110.263 110.263 109.750 0.513 25913 1165 1 6 . 1 1 9 9 GLY C C 9 172.859 172.859 173.429 -0.570 25913 1166 1 6 . 1 1 9 9 GLY CA C 9 45.211 45.211 46.028 -0.817 25913 1167 1 6 . 1 1 9 9 GLY H H 9 8.635 8.635 8.653 -0.018 25913 1168 1 6 . 1 1 10 10 ARG N N 10 121.025 121.025 123.474 -2.449 25913 1169 1 6 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.531 0.251 25913 1170 1 6 . 1 1 10 10 ARG C C 10 175.125 175.125 175.004 0.121 25913 1171 1 6 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.425 -1.069 25913 1172 1 6 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.087 3.894 25913 1173 1 6 . 1 1 10 10 ARG H H 10 8.229 8.229 8.130 0.099 25913 1174 1 6 . 1 1 11 11 TYR N N 11 121.353 121.353 123.629 -2.276 25913 1175 1 6 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.683 -0.355 25913 1176 1 6 . 1 1 11 11 TYR C C 11 174.229 174.229 174.885 -0.656 25913 1177 1 6 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.121 0.928 25913 1178 1 6 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.336 -0.285 25913 1179 1 6 . 1 1 11 11 TYR H H 11 8.692 8.692 9.281 -0.589 25913 1180 1 6 . 1 1 12 12 PHE N N 12 122.456 122.456 122.068 0.388 25913 1181 1 6 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.353 -0.469 25913 1182 1 6 . 1 1 12 12 PHE C C 12 174.224 174.224 174.680 -0.456 25913 1183 1 6 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.383 0.636 25913 1184 1 6 . 1 1 12 12 PHE CB C 12 44.078 44.078 42.183 1.895 25913 1185 1 6 . 1 1 12 12 PHE H H 12 9.415 9.415 9.053 0.362 25913 1186 1 6 . 1 1 13 13 CYS N N 13 128.438 128.438 128.339 0.099 25913 1187 1 6 . 1 1 13 13 CYS HA H 13 4.653 4.653 5.102 -0.449 25913 1188 1 6 . 1 1 13 13 CYS C C 13 176.686 176.686 175.377 1.309 25913 1189 1 6 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.281 1.048 25913 1190 1 6 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.475 2.745 25913 1191 1 6 . 1 1 13 13 CYS H H 13 7.942 7.942 8.794 -0.852 25913 1192 1 6 . 1 1 14 14 HIS N N 14 126.467 126.467 125.653 0.814 25913 1193 1 6 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.539 -0.216 25913 1194 1 6 . 1 1 14 14 HIS C C 14 175.452 175.452 176.457 -1.005 25913 1195 1 6 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.724 0.012 25913 1196 1 6 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.627 -1.435 25913 1197 1 6 . 1 1 14 14 HIS H H 14 8.971 8.971 9.469 -0.498 25913 1198 1 6 . 1 1 15 15 CYS N N 15 123.882 123.882 118.366 5.516 25913 1199 1 6 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.288 0.154 25913 1200 1 6 . 1 1 15 15 CYS C C 15 176.939 176.939 176.160 0.779 25913 1201 1 6 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.630 0.074 25913 1202 1 6 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.956 -0.615 25913 1203 1 6 . 1 1 15 15 CYS H H 15 9.195 9.195 8.188 1.008 25913 1204 1 6 . 1 1 16 16 CYS N N 16 124.898 124.898 121.222 3.676 25913 1205 1 6 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.489 -0.491 25913 1206 1 6 . 1 1 16 16 CYS C C 16 175.557 175.557 174.769 0.788 25913 1207 1 6 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.185 3.776 25913 1208 1 6 . 1 1 16 16 CYS H H 16 9.794 9.794 8.077 1.717 25913 1209 1 6 . 1 1 17 17 SER N N 17 114.055 114.055 113.802 0.253 25913 1210 1 6 . 1 1 17 17 SER HA H 17 3.755 3.755 4.018 -0.263 25913 1211 1 6 . 1 1 17 17 SER C C 17 173.790 173.790 173.269 0.521 25913 1212 1 6 . 1 1 17 17 SER CA C 17 58.868 58.868 59.471 -0.603 25913 1213 1 6 . 1 1 17 17 SER CB C 17 61.703 61.703 60.643 1.060 25913 1214 1 6 . 1 1 17 17 SER H H 17 7.950 7.950 8.167 -0.217 25913 1215 1 6 . 1 1 18 18 VAL N N 18 111.916 111.916 113.068 -1.152 25913 1216 1 6 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.347 0.111 25913 1217 1 6 . 1 1 18 18 VAL C C 18 173.765 173.765 173.777 -0.012 25913 1218 1 6 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.583 -0.551 25913 1219 1 6 . 1 1 18 18 VAL CB C 18 36.667 36.667 34.889 1.778 25913 1220 1 6 . 1 1 18 18 VAL H H 18 6.438 6.438 6.996 -0.558 25913 1221 1 6 . 1 1 19 19 GLU N N 19 123.431 123.431 122.174 1.257 25913 1222 1 6 . 1 1 19 19 GLU HA H 19 5.023 5.023 5.138 -0.115 25913 1223 1 6 . 1 1 19 19 GLU C C 19 176.506 176.506 175.831 0.675 25913 1224 1 6 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.377 0.441 25913 1225 1 6 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.366 -0.201 25913 1226 1 6 . 1 1 19 19 GLU H H 19 8.346 8.346 8.408 -0.062 25913 1227 1 6 . 1 1 20 20 ILE N N 20 117.751 117.751 119.711 -1.960 25913 1228 1 6 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.722 0.019 25913 1229 1 6 . 1 1 20 20 ILE C C 20 175.511 175.511 174.025 1.486 25913 1230 1 6 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.076 -0.131 25913 1231 1 6 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.629 3.038 25913 1232 1 6 . 1 1 20 20 ILE H H 20 8.537 8.537 9.030 -0.493 25913 1233 1 6 . 1 1 21 21 VAL N N 21 124.220 124.220 122.417 1.803 25913 1234 1 6 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.069 -0.483 25913 1235 1 6 . 1 1 21 21 VAL C C 21 174.640 174.640 174.192 0.448 25913 1236 1 6 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.739 1.980 25913 1237 1 6 . 1 1 21 21 VAL CB C 21 32.503 32.503 33.057 -0.554 25913 1238 1 6 . 1 1 21 21 VAL H H 21 8.203 8.203 8.410 -0.207 25913 1239 1 6 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.608 -0.549 25913 1240 1 6 . 1 1 22 22 PRO C C 22 175.352 175.352 176.137 -0.785 25913 1241 1 6 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.489 0.172 25913 1242 1 6 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.438 -0.424 25913 1243 1 6 . 1 1 23 23 ARG N N 23 121.370 121.370 122.987 -1.617 25913 1244 1 6 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.176 0.079 25913 1245 1 6 . 1 1 23 23 ARG C C 23 175.759 175.759 176.781 -1.022 25913 1246 1 6 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.217 -0.165 25913 1247 1 6 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.163 1.723 25913 1248 1 6 . 1 1 23 23 ARG H H 23 8.635 8.635 8.156 0.479 25913 1249 1 6 . 1 1 24 24 LEU N N 24 127.914 127.914 127.403 0.511 25913 1250 1 6 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.788 0.385 25913 1251 1 6 . 1 1 24 24 LEU C C 24 175.774 175.774 175.960 -0.186 25913 1252 1 6 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.511 -5.573 25913 1253 1 6 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.220 2.200 25913 1254 1 6 . 1 1 24 24 LEU H H 24 8.521 8.521 8.534 -0.013 25913 1255 1 6 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.179 0.161 25913 1256 1 6 . 1 1 25 25 PRO C C 25 176.386 176.386 176.937 -0.551 25913 1257 1 6 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.422 -0.755 25913 1258 1 6 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.766 2.910 25913 1259 1 6 . 1 1 26 26 ASP N N 26 122.078 122.078 115.452 6.626 25913 1260 1 6 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.677 -0.290 25913 1261 1 6 . 1 1 26 26 ASP C C 26 175.321 175.321 175.999 -0.678 25913 1262 1 6 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.318 2.037 25913 1263 1 6 . 1 1 26 26 ASP CB C 26 41.066 41.066 43.601 -2.535 25913 1264 1 6 . 1 1 26 26 ASP H H 26 8.752 8.752 7.803 0.949 25913 1265 1 6 . 1 1 27 27 TYR N N 27 117.607 117.607 117.487 0.120 25913 1266 1 6 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.989 -0.540 25913 1267 1 6 . 1 1 27 27 TYR C C 27 173.074 173.074 174.347 -1.273 25913 1268 1 6 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.383 1.054 25913 1269 1 6 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.840 -0.780 25913 1270 1 6 . 1 1 27 27 TYR H H 27 8.666 8.666 8.224 0.442 25913 1271 1 6 . 1 1 28 28 ILE N N 28 111.804 111.804 113.103 -1.299 25913 1272 1 6 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.467 0.308 25913 1273 1 6 . 1 1 28 28 ILE C C 28 175.083 175.083 174.683 0.400 25913 1274 1 6 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.146 -0.577 25913 1275 1 6 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.147 0.960 25913 1276 1 6 . 1 1 28 28 ILE H H 28 6.761 6.761 7.314 -0.553 25913 1277 1 6 . 1 1 29 29 CYS N N 29 126.875 126.875 118.931 7.944 25913 1278 1 6 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.758 -0.350 25913 1279 1 6 . 1 1 29 29 CYS C C 29 175.932 175.932 175.050 0.882 25913 1280 1 6 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.842 0.560 25913 1281 1 6 . 1 1 29 29 CYS CB C 29 32.214 32.214 27.958 4.256 25913 1282 1 6 . 1 1 29 29 CYS H H 29 8.783 8.783 8.712 0.071 25913 1283 1 6 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.459 -0.077 25913 1284 1 6 . 1 1 30 30 PRO C C 30 176.824 176.824 177.408 -0.584 25913 1285 1 6 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.446 -0.406 25913 1286 1 6 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.923 0.421 25913 1287 1 6 . 1 1 31 31 ARG N N 31 124.131 124.131 117.025 7.106 25913 1288 1 6 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.457 -0.156 25913 1289 1 6 . 1 1 31 31 ARG C C 31 177.721 177.721 177.064 0.657 25913 1290 1 6 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.639 0.551 25913 1291 1 6 . 1 1 31 31 ARG CB C 31 31.682 31.682 31.179 0.503 25913 1292 1 6 . 1 1 31 31 ARG H H 31 9.604 9.604 7.684 1.920 25913 1293 1 6 . 1 1 32 32 CYS N N 32 119.758 119.758 113.952 5.806 25913 1294 1 6 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.835 0.004 25913 1295 1 6 . 1 1 32 32 CYS C C 32 176.450 176.450 174.289 2.161 25913 1296 1 6 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.682 1.028 25913 1297 1 6 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.512 3.718 25913 1298 1 6 . 1 1 32 32 CYS H H 32 8.549 8.549 7.723 0.826 25913 1299 1 6 . 1 1 33 33 GLU N N 33 118.109 118.109 119.905 -1.796 25913 1300 1 6 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.063 0.015 25913 1301 1 6 . 1 1 33 33 GLU C C 33 174.739 174.739 176.061 -1.322 25913 1302 1 6 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.485 1.033 25913 1303 1 6 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.188 -0.496 25913 1304 1 6 . 1 1 33 33 GLU H H 33 7.868 7.868 8.232 -0.364 25913 1305 1 6 . 1 1 34 34 SER N N 34 117.224 117.224 115.079 2.145 25913 1306 1 6 . 1 1 34 34 SER HA H 34 4.437 4.437 4.504 -0.067 25913 1307 1 6 . 1 1 34 34 SER C C 34 175.392 175.392 175.675 -0.283 25913 1308 1 6 . 1 1 34 34 SER CA C 34 59.277 59.277 59.816 -0.539 25913 1309 1 6 . 1 1 34 34 SER CB C 34 65.429 65.429 64.357 1.072 25913 1310 1 6 . 1 1 34 34 SER H H 34 8.786 8.786 7.998 0.788 25913 1311 1 6 . 1 1 35 35 GLY N N 35 111.095 111.095 107.666 3.429 25913 1312 1 6 . 1 1 35 35 GLY C C 35 175.730 175.730 174.587 1.143 25913 1313 1 6 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.693 0.548 25913 1314 1 6 . 1 1 35 35 GLY H H 35 8.511 8.511 8.468 0.043 25913 1315 1 6 . 1 1 36 36 PHE N N 36 126.409 126.409 125.138 1.271 25913 1316 1 6 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.400 0.751 25913 1317 1 6 . 1 1 36 36 PHE C C 36 174.098 174.098 174.665 -0.567 25913 1318 1 6 . 1 1 36 36 PHE CA C 36 55.269 55.269 58.886 -3.616 25913 1319 1 6 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.332 -1.305 25913 1320 1 6 . 1 1 36 36 PHE H H 36 8.850 8.850 7.760 1.090 25913 1321 1 6 . 1 1 37 37 ILE N N 37 117.377 117.377 115.572 1.805 25913 1322 1 6 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.464 -0.108 25913 1323 1 6 . 1 1 37 37 ILE C C 37 175.508 175.508 174.922 0.586 25913 1324 1 6 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.554 0.133 25913 1325 1 6 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.546 -1.398 25913 1326 1 6 . 1 1 37 37 ILE H H 37 7.972 7.972 7.884 0.088 25913 1327 1 6 . 1 1 38 38 GLU N N 38 124.869 124.869 122.936 1.933 25913 1328 1 6 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.591 0.294 25913 1329 1 6 . 1 1 38 38 GLU C C 38 174.300 174.300 175.322 -1.022 25913 1330 1 6 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.901 -0.245 25913 1331 1 6 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.327 2.262 25913 1332 1 6 . 1 1 38 38 GLU H H 38 9.131 9.131 8.894 0.237 25913 1333 1 6 . 1 1 39 39 GLU N N 39 127.840 127.840 127.073 0.767 25913 1334 1 6 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.179 0.669 25913 1335 1 6 . 1 1 39 39 GLU C C 39 175.507 175.507 175.498 0.009 25913 1336 1 6 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.767 0.737 25913 1337 1 6 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.821 1.428 25913 1338 1 6 . 1 1 39 39 GLU H H 39 8.844 8.844 8.644 0.200 25913 1339 1 7 . 1 1 0 0 SER HA H 0 4.525 4.525 4.006 0.519 25913 1340 1 7 . 1 1 0 0 SER C C 0 174.776 174.776 176.009 -1.233 25913 1341 1 7 . 1 1 0 0 SER CA C 0 58.364 58.364 60.882 -2.518 25913 1342 1 7 . 1 1 0 0 SER CB C 0 64.049 64.049 62.238 1.811 25913 1343 1 7 . 1 1 1 1 MET N N 1 123.174 123.174 121.535 1.639 25913 1344 1 7 . 1 1 1 1 MET HA H 1 4.486 4.486 4.434 0.052 25913 1345 1 7 . 1 1 1 1 MET C C 1 176.177 176.177 176.608 -0.431 25913 1346 1 7 . 1 1 1 1 MET CA C 1 55.804 55.804 56.657 -0.853 25913 1347 1 7 . 1 1 1 1 MET CB C 1 32.941 32.941 33.097 -0.156 25913 1348 1 7 . 1 1 1 1 MET H H 1 8.592 8.592 7.982 0.610 25913 1349 1 7 . 1 1 2 2 ALA N N 2 125.785 125.785 120.406 5.379 25913 1350 1 7 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.474 -0.181 25913 1351 1 7 . 1 1 2 2 ALA C C 2 177.812 177.812 177.909 -0.097 25913 1352 1 7 . 1 1 2 2 ALA CA C 2 52.809 52.809 52.145 0.664 25913 1353 1 7 . 1 1 2 2 ALA CB C 2 19.224 19.224 18.740 0.484 25913 1354 1 7 . 1 1 2 2 ALA H H 2 8.337 8.337 7.410 0.927 25913 1355 1 7 . 1 1 3 3 GLU N N 3 120.731 120.731 118.880 1.851 25913 1356 1 7 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.479 -0.223 25913 1357 1 7 . 1 1 3 3 GLU C C 3 176.186 176.186 176.040 0.146 25913 1358 1 7 . 1 1 3 3 GLU CA C 3 56.377 56.377 56.191 0.187 25913 1359 1 7 . 1 1 3 3 GLU CB C 3 30.549 30.549 29.846 0.703 25913 1360 1 7 . 1 1 3 3 GLU H H 3 8.274 8.274 7.662 0.612 25913 1361 1 7 . 1 1 4 4 ALA N N 4 125.716 125.716 122.089 3.627 25913 1362 1 7 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.511 -0.166 25913 1363 1 7 . 1 1 4 4 ALA C C 4 177.530 177.530 177.560 -0.030 25913 1364 1 7 . 1 1 4 4 ALA CA C 4 52.413 52.413 51.828 0.584 25913 1365 1 7 . 1 1 4 4 ALA CB C 4 19.466 19.466 19.063 0.403 25913 1366 1 7 . 1 1 4 4 ALA H H 4 8.271 8.271 8.007 0.264 25913 1367 1 7 . 1 1 5 5 SER N N 5 117.161 117.161 116.544 0.617 25913 1368 1 7 . 1 1 5 5 SER HA H 5 4.724 4.724 4.411 0.313 25913 1369 1 7 . 1 1 5 5 SER C C 5 172.661 172.661 173.688 -1.027 25913 1370 1 7 . 1 1 5 5 SER CA C 5 56.354 56.354 59.457 -3.103 25913 1371 1 7 . 1 1 5 5 SER CB C 5 63.442 63.442 62.275 1.167 25913 1372 1 7 . 1 1 5 5 SER H H 5 8.259 8.259 8.394 -0.135 25913 1373 1 7 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.457 -0.043 25913 1374 1 7 . 1 1 6 6 PRO C C 6 176.523 176.523 176.017 0.506 25913 1375 1 7 . 1 1 6 6 PRO CA C 6 63.385 63.385 63.225 0.160 25913 1376 1 7 . 1 1 6 6 PRO CB C 6 32.187 32.187 32.165 0.022 25913 1377 1 7 . 1 1 7 7 HIS N N 7 120.170 120.170 122.661 -2.491 25913 1378 1 7 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.812 0.168 25913 1379 1 7 . 1 1 7 7 HIS C C 7 172.577 172.577 174.355 -1.778 25913 1380 1 7 . 1 1 7 7 HIS CA C 7 53.492 53.492 53.378 0.114 25913 1381 1 7 . 1 1 7 7 HIS CB C 7 29.133 29.133 29.505 -0.372 25913 1382 1 7 . 1 1 7 7 HIS H H 7 8.489 8.489 8.164 0.325 25913 1383 1 7 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.565 -0.019 25913 1384 1 7 . 1 1 8 8 PRO C C 8 177.382 177.382 176.381 1.001 25913 1385 1 7 . 1 1 8 8 PRO CA C 8 63.443 63.443 62.901 0.542 25913 1386 1 7 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.700 -0.323 25913 1387 1 7 . 1 1 9 9 GLY N N 9 110.263 110.263 107.359 2.904 25913 1388 1 7 . 1 1 9 9 GLY C C 9 172.859 172.859 173.259 -0.400 25913 1389 1 7 . 1 1 9 9 GLY CA C 9 45.211 45.211 46.066 -0.856 25913 1390 1 7 . 1 1 9 9 GLY H H 9 8.635 8.635 8.961 -0.326 25913 1391 1 7 . 1 1 10 10 ARG N N 10 121.025 121.025 122.875 -1.850 25913 1392 1 7 . 1 1 10 10 ARG HA H 10 4.782 4.782 5.109 -0.327 25913 1393 1 7 . 1 1 10 10 ARG C C 10 175.125 175.125 174.852 0.273 25913 1394 1 7 . 1 1 10 10 ARG CA C 10 55.356 55.356 55.831 -0.475 25913 1395 1 7 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.427 3.555 25913 1396 1 7 . 1 1 10 10 ARG H H 10 8.229 8.229 7.957 0.272 25913 1397 1 7 . 1 1 11 11 TYR N N 11 121.353 121.353 123.673 -2.320 25913 1398 1 7 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.699 -0.371 25913 1399 1 7 . 1 1 11 11 TYR C C 11 174.229 174.229 174.738 -0.509 25913 1400 1 7 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.020 1.029 25913 1401 1 7 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.478 -0.427 25913 1402 1 7 . 1 1 11 11 TYR H H 11 8.692 8.692 9.442 -0.750 25913 1403 1 7 . 1 1 12 12 PHE N N 12 122.456 122.456 122.256 0.200 25913 1404 1 7 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.319 -0.435 25913 1405 1 7 . 1 1 12 12 PHE C C 12 174.224 174.224 174.979 -0.755 25913 1406 1 7 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.419 0.600 25913 1407 1 7 . 1 1 12 12 PHE CB C 12 44.078 44.078 41.859 2.219 25913 1408 1 7 . 1 1 12 12 PHE H H 12 9.415 9.415 9.057 0.358 25913 1409 1 7 . 1 1 13 13 CYS N N 13 128.438 128.438 128.510 -0.072 25913 1410 1 7 . 1 1 13 13 CYS HA H 13 4.653 4.653 4.936 -0.283 25913 1411 1 7 . 1 1 13 13 CYS C C 13 176.686 176.686 175.936 0.750 25913 1412 1 7 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.906 0.422 25913 1413 1 7 . 1 1 13 13 CYS CB C 13 31.220 31.220 27.448 3.772 25913 1414 1 7 . 1 1 13 13 CYS H H 13 7.942 7.942 8.989 -1.047 25913 1415 1 7 . 1 1 14 14 HIS N N 14 126.467 126.467 126.528 -0.061 25913 1416 1 7 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.500 -0.177 25913 1417 1 7 . 1 1 14 14 HIS C C 14 175.452 175.452 176.577 -1.125 25913 1418 1 7 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.636 0.100 25913 1419 1 7 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.248 -1.058 25913 1420 1 7 . 1 1 14 14 HIS H H 14 8.971 8.971 9.619 -0.648 25913 1421 1 7 . 1 1 15 15 CYS N N 15 123.882 123.882 117.415 6.467 25913 1422 1 7 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.315 0.127 25913 1423 1 7 . 1 1 15 15 CYS C C 15 176.939 176.939 175.771 1.168 25913 1424 1 7 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.517 0.187 25913 1425 1 7 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.905 -0.564 25913 1426 1 7 . 1 1 15 15 CYS H H 15 9.195 9.195 8.298 0.897 25913 1427 1 7 . 1 1 16 16 CYS N N 16 124.898 124.898 119.374 5.524 25913 1428 1 7 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.582 -0.584 25913 1429 1 7 . 1 1 16 16 CYS C C 16 175.557 175.557 174.676 0.881 25913 1430 1 7 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.757 3.204 25913 1431 1 7 . 1 1 16 16 CYS H H 16 9.794 9.794 8.107 1.687 25913 1432 1 7 . 1 1 17 17 SER N N 17 114.055 114.055 114.566 -0.511 25913 1433 1 7 . 1 1 17 17 SER HA H 17 3.755 3.755 4.153 -0.398 25913 1434 1 7 . 1 1 17 17 SER C C 17 173.790 173.790 173.253 0.537 25913 1435 1 7 . 1 1 17 17 SER CA C 17 58.868 58.868 59.576 -0.708 25913 1436 1 7 . 1 1 17 17 SER CB C 17 61.703 61.703 60.605 1.098 25913 1437 1 7 . 1 1 17 17 SER H H 17 7.950 7.950 8.280 -0.330 25913 1438 1 7 . 1 1 18 18 VAL N N 18 111.916 111.916 112.503 -0.587 25913 1439 1 7 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.206 0.252 25913 1440 1 7 . 1 1 18 18 VAL C C 18 173.765 173.765 173.433 0.332 25913 1441 1 7 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.623 -0.591 25913 1442 1 7 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.120 1.547 25913 1443 1 7 . 1 1 18 18 VAL H H 18 6.438 6.438 7.085 -0.647 25913 1444 1 7 . 1 1 19 19 GLU N N 19 123.431 123.431 122.083 1.348 25913 1445 1 7 . 1 1 19 19 GLU HA H 19 5.023 5.023 5.201 -0.178 25913 1446 1 7 . 1 1 19 19 GLU C C 19 176.506 176.506 176.031 0.475 25913 1447 1 7 . 1 1 19 19 GLU CA C 19 56.818 56.818 55.695 1.123 25913 1448 1 7 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.479 -0.314 25913 1449 1 7 . 1 1 19 19 GLU H H 19 8.346 8.346 8.352 -0.006 25913 1450 1 7 . 1 1 20 20 ILE N N 20 117.751 117.751 121.256 -3.505 25913 1451 1 7 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.793 -0.052 25913 1452 1 7 . 1 1 20 20 ILE C C 20 175.511 175.511 173.781 1.730 25913 1453 1 7 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.460 -0.515 25913 1454 1 7 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.642 3.025 25913 1455 1 7 . 1 1 20 20 ILE H H 20 8.537 8.537 8.838 -0.301 25913 1456 1 7 . 1 1 21 21 VAL N N 21 124.220 124.220 121.986 2.234 25913 1457 1 7 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.185 -0.599 25913 1458 1 7 . 1 1 21 21 VAL C C 21 174.640 174.640 174.159 0.481 25913 1459 1 7 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.908 1.810 25913 1460 1 7 . 1 1 21 21 VAL CB C 21 32.503 32.503 33.224 -0.721 25913 1461 1 7 . 1 1 21 21 VAL H H 21 8.203 8.203 8.382 -0.179 25913 1462 1 7 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.679 -0.620 25913 1463 1 7 . 1 1 22 22 PRO C C 22 175.352 175.352 176.138 -0.786 25913 1464 1 7 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.583 0.078 25913 1465 1 7 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.316 -0.302 25913 1466 1 7 . 1 1 23 23 ARG N N 23 121.370 121.370 122.319 -0.949 25913 1467 1 7 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.220 0.035 25913 1468 1 7 . 1 1 23 23 ARG C C 23 175.759 175.759 176.553 -0.794 25913 1469 1 7 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.022 0.030 25913 1470 1 7 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.194 1.692 25913 1471 1 7 . 1 1 23 23 ARG H H 23 8.635 8.635 8.109 0.526 25913 1472 1 7 . 1 1 24 24 LEU N N 24 127.914 127.914 127.213 0.701 25913 1473 1 7 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.762 0.411 25913 1474 1 7 . 1 1 24 24 LEU C C 24 175.774 175.774 175.880 -0.106 25913 1475 1 7 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.469 -5.531 25913 1476 1 7 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.266 2.154 25913 1477 1 7 . 1 1 24 24 LEU H H 24 8.521 8.521 8.651 -0.130 25913 1478 1 7 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.167 0.173 25913 1479 1 7 . 1 1 25 25 PRO C C 25 176.386 176.386 176.976 -0.590 25913 1480 1 7 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.470 -0.803 25913 1481 1 7 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.712 2.963 25913 1482 1 7 . 1 1 26 26 ASP N N 26 122.078 122.078 115.559 6.519 25913 1483 1 7 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.668 -0.281 25913 1484 1 7 . 1 1 26 26 ASP C C 26 175.321 175.321 176.029 -0.708 25913 1485 1 7 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.340 2.015 25913 1486 1 7 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.902 -1.836 25913 1487 1 7 . 1 1 26 26 ASP H H 26 8.752 8.752 7.624 1.128 25913 1488 1 7 . 1 1 27 27 TYR N N 27 117.607 117.607 117.329 0.278 25913 1489 1 7 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.986 -0.537 25913 1490 1 7 . 1 1 27 27 TYR C C 27 173.074 173.074 174.304 -1.230 25913 1491 1 7 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.370 1.067 25913 1492 1 7 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.839 -0.779 25913 1493 1 7 . 1 1 27 27 TYR H H 27 8.666 8.666 8.082 0.584 25913 1494 1 7 . 1 1 28 28 ILE N N 28 111.804 111.804 112.551 -0.747 25913 1495 1 7 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.565 0.210 25913 1496 1 7 . 1 1 28 28 ILE C C 28 175.083 175.083 174.497 0.586 25913 1497 1 7 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.535 -0.966 25913 1498 1 7 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.209 0.898 25913 1499 1 7 . 1 1 28 28 ILE H H 28 6.761 6.761 7.268 -0.507 25913 1500 1 7 . 1 1 29 29 CYS N N 29 126.875 126.875 118.994 7.881 25913 1501 1 7 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.784 -0.376 25913 1502 1 7 . 1 1 29 29 CYS C C 29 175.932 175.932 175.048 0.884 25913 1503 1 7 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.827 0.575 25913 1504 1 7 . 1 1 29 29 CYS CB C 29 32.214 32.214 28.126 4.088 25913 1505 1 7 . 1 1 29 29 CYS H H 29 8.783 8.783 8.764 0.019 25913 1506 1 7 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.477 -0.095 25913 1507 1 7 . 1 1 30 30 PRO C C 30 176.824 176.824 177.158 -0.334 25913 1508 1 7 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.402 -0.362 25913 1509 1 7 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.868 0.476 25913 1510 1 7 . 1 1 31 31 ARG N N 31 124.131 124.131 117.007 7.124 25913 1511 1 7 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.424 -0.123 25913 1512 1 7 . 1 1 31 31 ARG C C 31 177.721 177.721 177.153 0.568 25913 1513 1 7 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.623 0.567 25913 1514 1 7 . 1 1 31 31 ARG CB C 31 31.682 31.682 31.004 0.678 25913 1515 1 7 . 1 1 31 31 ARG H H 31 9.604 9.604 7.709 1.895 25913 1516 1 7 . 1 1 32 32 CYS N N 32 119.758 119.758 113.896 5.862 25913 1517 1 7 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.832 0.007 25913 1518 1 7 . 1 1 32 32 CYS C C 32 176.450 176.450 174.381 2.069 25913 1519 1 7 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.672 1.038 25913 1520 1 7 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.561 3.669 25913 1521 1 7 . 1 1 32 32 CYS H H 32 8.549 8.549 7.744 0.805 25913 1522 1 7 . 1 1 33 33 GLU N N 33 118.109 118.109 120.086 -1.977 25913 1523 1 7 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.130 -0.052 25913 1524 1 7 . 1 1 33 33 GLU C C 33 174.739 174.739 176.075 -1.336 25913 1525 1 7 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.508 1.010 25913 1526 1 7 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.435 -0.743 25913 1527 1 7 . 1 1 33 33 GLU H H 33 7.868 7.868 8.200 -0.332 25913 1528 1 7 . 1 1 34 34 SER N N 34 117.224 117.224 115.026 2.198 25913 1529 1 7 . 1 1 34 34 SER HA H 34 4.437 4.437 4.503 -0.066 25913 1530 1 7 . 1 1 34 34 SER C C 34 175.392 175.392 175.610 -0.218 25913 1531 1 7 . 1 1 34 34 SER CA C 34 59.277 59.277 59.755 -0.478 25913 1532 1 7 . 1 1 34 34 SER CB C 34 65.429 65.429 64.404 1.025 25913 1533 1 7 . 1 1 34 34 SER H H 34 8.786 8.786 7.928 0.858 25913 1534 1 7 . 1 1 35 35 GLY N N 35 111.095 111.095 107.528 3.567 25913 1535 1 7 . 1 1 35 35 GLY C C 35 175.730 175.730 174.368 1.362 25913 1536 1 7 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.702 0.539 25913 1537 1 7 . 1 1 35 35 GLY H H 35 8.511 8.511 8.571 -0.060 25913 1538 1 7 . 1 1 36 36 PHE N N 36 126.409 126.409 124.996 1.413 25913 1539 1 7 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.461 0.690 25913 1540 1 7 . 1 1 36 36 PHE C C 36 174.098 174.098 174.228 -0.130 25913 1541 1 7 . 1 1 36 36 PHE CA C 36 55.269 55.269 59.207 -3.938 25913 1542 1 7 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.417 -1.391 25913 1543 1 7 . 1 1 36 36 PHE H H 36 8.850 8.850 7.657 1.193 25913 1544 1 7 . 1 1 37 37 ILE N N 37 117.377 117.377 115.677 1.700 25913 1545 1 7 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.249 0.107 25913 1546 1 7 . 1 1 37 37 ILE C C 37 175.508 175.508 174.882 0.626 25913 1547 1 7 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.530 0.157 25913 1548 1 7 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.565 -1.417 25913 1549 1 7 . 1 1 37 37 ILE H H 37 7.972 7.972 7.799 0.173 25913 1550 1 7 . 1 1 38 38 GLU N N 38 124.869 124.869 122.426 2.443 25913 1551 1 7 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.591 0.294 25913 1552 1 7 . 1 1 38 38 GLU C C 38 174.300 174.300 175.410 -1.110 25913 1553 1 7 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.245 0.411 25913 1554 1 7 . 1 1 38 38 GLU CB C 38 34.589 34.589 31.663 2.926 25913 1555 1 7 . 1 1 38 38 GLU H H 38 9.131 9.131 8.727 0.404 25913 1556 1 7 . 1 1 39 39 GLU N N 39 127.840 127.840 127.313 0.527 25913 1557 1 7 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.132 0.716 25913 1558 1 7 . 1 1 39 39 GLU C C 39 175.507 175.507 175.608 -0.101 25913 1559 1 7 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.715 0.790 25913 1560 1 7 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.820 1.429 25913 1561 1 7 . 1 1 39 39 GLU H H 39 8.844 8.844 8.682 0.162 25913 1562 1 8 . 1 1 0 0 SER HA H 0 4.525 4.525 4.789 -0.264 25913 1563 1 8 . 1 1 0 0 SER C C 0 174.776 174.776 174.947 -0.171 25913 1564 1 8 . 1 1 0 0 SER CA C 0 58.364 58.364 57.180 1.184 25913 1565 1 8 . 1 1 0 0 SER CB C 0 64.049 64.049 65.377 -1.328 25913 1566 1 8 . 1 1 1 1 MET N N 1 123.174 123.174 125.062 -1.888 25913 1567 1 8 . 1 1 1 1 MET HA H 1 4.486 4.486 4.566 -0.080 25913 1568 1 8 . 1 1 1 1 MET C C 1 176.177 176.177 175.633 0.544 25913 1569 1 8 . 1 1 1 1 MET CA C 1 55.804 55.804 55.804 -0.000 25913 1570 1 8 . 1 1 1 1 MET CB C 1 32.941 32.941 29.991 2.950 25913 1571 1 8 . 1 1 1 1 MET H H 1 8.592 8.592 9.183 -0.591 25913 1572 1 8 . 1 1 2 2 ALA N N 2 125.785 125.785 125.087 0.698 25913 1573 1 8 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.451 -0.158 25913 1574 1 8 . 1 1 2 2 ALA C C 2 177.812 177.812 178.380 -0.568 25913 1575 1 8 . 1 1 2 2 ALA CA C 2 52.809 52.809 53.632 -0.823 25913 1576 1 8 . 1 1 2 2 ALA CB C 2 19.224 19.224 19.585 -0.361 25913 1577 1 8 . 1 1 2 2 ALA H H 2 8.337 8.337 8.567 -0.230 25913 1578 1 8 . 1 1 3 3 GLU N N 3 120.731 120.731 120.478 0.253 25913 1579 1 8 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.176 0.080 25913 1580 1 8 . 1 1 3 3 GLU C C 3 176.186 176.186 177.273 -1.087 25913 1581 1 8 . 1 1 3 3 GLU CA C 3 56.377 56.377 58.233 -1.856 25913 1582 1 8 . 1 1 3 3 GLU CB C 3 30.549 30.549 30.081 0.469 25913 1583 1 8 . 1 1 3 3 GLU H H 3 8.274 8.274 8.039 0.235 25913 1584 1 8 . 1 1 4 4 ALA N N 4 125.716 125.716 123.283 2.433 25913 1585 1 8 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.580 -0.235 25913 1586 1 8 . 1 1 4 4 ALA C C 4 177.530 177.530 176.030 1.500 25913 1587 1 8 . 1 1 4 4 ALA CA C 4 52.413 52.413 51.595 0.818 25913 1588 1 8 . 1 1 4 4 ALA CB C 4 19.466 19.466 18.737 0.729 25913 1589 1 8 . 1 1 4 4 ALA H H 4 8.271 8.271 7.707 0.564 25913 1590 1 8 . 1 1 5 5 SER N N 5 117.161 117.161 116.768 0.393 25913 1591 1 8 . 1 1 5 5 SER HA H 5 4.724 4.724 4.366 0.358 25913 1592 1 8 . 1 1 5 5 SER C C 5 172.661 172.661 173.493 -0.832 25913 1593 1 8 . 1 1 5 5 SER CA C 5 56.354 56.354 57.850 -1.496 25913 1594 1 8 . 1 1 5 5 SER CB C 5 63.442 63.442 64.346 -0.904 25913 1595 1 8 . 1 1 5 5 SER H H 5 8.259 8.259 8.262 -0.003 25913 1596 1 8 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.684 -0.270 25913 1597 1 8 . 1 1 6 6 PRO C C 6 176.523 176.523 175.957 0.566 25913 1598 1 8 . 1 1 6 6 PRO CA C 6 63.385 63.385 62.436 0.949 25913 1599 1 8 . 1 1 6 6 PRO CB C 6 32.187 32.187 31.108 1.079 25913 1600 1 8 . 1 1 7 7 HIS N N 7 120.170 120.170 118.384 1.786 25913 1601 1 8 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.335 0.645 25913 1602 1 8 . 1 1 7 7 HIS C C 7 172.577 172.577 172.778 -0.201 25913 1603 1 8 . 1 1 7 7 HIS CA C 7 53.492 53.492 55.766 -2.274 25913 1604 1 8 . 1 1 7 7 HIS CB C 7 29.133 29.133 29.633 -0.500 25913 1605 1 8 . 1 1 7 7 HIS H H 7 8.489 8.489 7.902 0.587 25913 1606 1 8 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.490 0.056 25913 1607 1 8 . 1 1 8 8 PRO C C 8 177.382 177.382 176.452 0.930 25913 1608 1 8 . 1 1 8 8 PRO CA C 8 63.443 63.443 63.160 0.283 25913 1609 1 8 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.373 0.004 25913 1610 1 8 . 1 1 9 9 GLY N N 9 110.263 110.263 109.656 0.607 25913 1611 1 8 . 1 1 9 9 GLY C C 9 172.859 172.859 173.296 -0.437 25913 1612 1 8 . 1 1 9 9 GLY CA C 9 45.211 45.211 46.169 -0.958 25913 1613 1 8 . 1 1 9 9 GLY H H 9 8.635 8.635 8.929 -0.294 25913 1614 1 8 . 1 1 10 10 ARG N N 10 121.025 121.025 123.209 -2.184 25913 1615 1 8 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.786 -0.004 25913 1616 1 8 . 1 1 10 10 ARG C C 10 175.125 175.125 174.809 0.316 25913 1617 1 8 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.068 -0.712 25913 1618 1 8 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.165 3.817 25913 1619 1 8 . 1 1 10 10 ARG H H 10 8.229 8.229 8.063 0.166 25913 1620 1 8 . 1 1 11 11 TYR N N 11 121.353 121.353 123.660 -2.307 25913 1621 1 8 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.711 -0.383 25913 1622 1 8 . 1 1 11 11 TYR C C 11 174.229 174.229 174.736 -0.507 25913 1623 1 8 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.058 0.991 25913 1624 1 8 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.541 -0.490 25913 1625 1 8 . 1 1 11 11 TYR H H 11 8.692 8.692 9.386 -0.694 25913 1626 1 8 . 1 1 12 12 PHE N N 12 122.456 122.456 122.098 0.358 25913 1627 1 8 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.303 -0.419 25913 1628 1 8 . 1 1 12 12 PHE C C 12 174.224 174.224 174.839 -0.615 25913 1629 1 8 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.417 0.602 25913 1630 1 8 . 1 1 12 12 PHE CB C 12 44.078 44.078 41.842 2.236 25913 1631 1 8 . 1 1 12 12 PHE H H 12 9.415 9.415 9.102 0.313 25913 1632 1 8 . 1 1 13 13 CYS N N 13 128.438 128.438 128.579 -0.141 25913 1633 1 8 . 1 1 13 13 CYS HA H 13 4.653 4.653 4.990 -0.337 25913 1634 1 8 . 1 1 13 13 CYS C C 13 176.686 176.686 175.314 1.372 25913 1635 1 8 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.699 0.629 25913 1636 1 8 . 1 1 13 13 CYS CB C 13 31.220 31.220 27.974 3.246 25913 1637 1 8 . 1 1 13 13 CYS H H 13 7.942 7.942 8.921 -0.979 25913 1638 1 8 . 1 1 14 14 HIS N N 14 126.467 126.467 126.421 0.046 25913 1639 1 8 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.635 -0.312 25913 1640 1 8 . 1 1 14 14 HIS C C 14 175.452 175.452 175.913 -0.461 25913 1641 1 8 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.098 0.638 25913 1642 1 8 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.518 -1.327 25913 1643 1 8 . 1 1 14 14 HIS H H 14 8.971 8.971 9.449 -0.478 25913 1644 1 8 . 1 1 15 15 CYS N N 15 123.882 123.882 117.727 6.155 25913 1645 1 8 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.407 0.035 25913 1646 1 8 . 1 1 15 15 CYS C C 15 176.939 176.939 175.838 1.101 25913 1647 1 8 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.259 0.445 25913 1648 1 8 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.200 0.141 25913 1649 1 8 . 1 1 15 15 CYS H H 15 9.195 9.195 8.224 0.971 25913 1650 1 8 . 1 1 16 16 CYS N N 16 124.898 124.898 119.934 4.964 25913 1651 1 8 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.563 -0.565 25913 1652 1 8 . 1 1 16 16 CYS C C 16 175.557 175.557 174.636 0.921 25913 1653 1 8 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.695 3.266 25913 1654 1 8 . 1 1 16 16 CYS H H 16 9.794 9.794 7.949 1.845 25913 1655 1 8 . 1 1 17 17 SER N N 17 114.055 114.055 114.086 -0.031 25913 1656 1 8 . 1 1 17 17 SER HA H 17 3.755 3.755 4.069 -0.314 25913 1657 1 8 . 1 1 17 17 SER C C 17 173.790 173.790 173.230 0.560 25913 1658 1 8 . 1 1 17 17 SER CA C 17 58.868 58.868 59.678 -0.810 25913 1659 1 8 . 1 1 17 17 SER CB C 17 61.703 61.703 60.336 1.367 25913 1660 1 8 . 1 1 17 17 SER H H 17 7.950 7.950 8.170 -0.220 25913 1661 1 8 . 1 1 18 18 VAL N N 18 111.916 111.916 111.958 -0.042 25913 1662 1 8 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.246 0.212 25913 1663 1 8 . 1 1 18 18 VAL C C 18 173.765 173.765 173.606 0.159 25913 1664 1 8 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.049 -0.017 25913 1665 1 8 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.446 1.222 25913 1666 1 8 . 1 1 18 18 VAL H H 18 6.438 6.438 7.021 -0.583 25913 1667 1 8 . 1 1 19 19 GLU N N 19 123.431 123.431 123.251 0.180 25913 1668 1 8 . 1 1 19 19 GLU HA H 19 5.023 5.023 4.990 0.033 25913 1669 1 8 . 1 1 19 19 GLU C C 19 176.506 176.506 175.635 0.871 25913 1670 1 8 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.347 0.471 25913 1671 1 8 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.595 -0.430 25913 1672 1 8 . 1 1 19 19 GLU H H 19 8.346 8.346 8.333 0.013 25913 1673 1 8 . 1 1 20 20 ILE N N 20 117.751 117.751 119.922 -2.171 25913 1674 1 8 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.578 0.163 25913 1675 1 8 . 1 1 20 20 ILE C C 20 175.511 175.511 173.734 1.777 25913 1676 1 8 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.142 -0.197 25913 1677 1 8 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.896 2.771 25913 1678 1 8 . 1 1 20 20 ILE H H 20 8.537 8.537 9.236 -0.699 25913 1679 1 8 . 1 1 21 21 VAL N N 21 124.220 124.220 121.785 2.435 25913 1680 1 8 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.317 -0.731 25913 1681 1 8 . 1 1 21 21 VAL C C 21 174.640 174.640 173.814 0.826 25913 1682 1 8 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.785 1.933 25913 1683 1 8 . 1 1 21 21 VAL CB C 21 32.503 32.503 33.982 -1.479 25913 1684 1 8 . 1 1 21 21 VAL H H 21 8.203 8.203 8.384 -0.181 25913 1685 1 8 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.630 -0.571 25913 1686 1 8 . 1 1 22 22 PRO C C 22 175.352 175.352 176.048 -0.696 25913 1687 1 8 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.654 0.007 25913 1688 1 8 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.294 -0.280 25913 1689 1 8 . 1 1 23 23 ARG N N 23 121.370 121.370 121.950 -0.580 25913 1690 1 8 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.299 -0.044 25913 1691 1 8 . 1 1 23 23 ARG C C 23 175.759 175.759 176.589 -0.830 25913 1692 1 8 . 1 1 23 23 ARG CA C 23 56.052 56.052 55.819 0.233 25913 1693 1 8 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.269 1.617 25913 1694 1 8 . 1 1 23 23 ARG H H 23 8.635 8.635 8.156 0.479 25913 1695 1 8 . 1 1 24 24 LEU N N 24 127.914 127.914 127.195 0.719 25913 1696 1 8 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.748 0.425 25913 1697 1 8 . 1 1 24 24 LEU C C 24 175.774 175.774 175.905 -0.131 25913 1698 1 8 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.505 -5.567 25913 1699 1 8 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.268 2.152 25913 1700 1 8 . 1 1 24 24 LEU H H 24 8.521 8.521 8.699 -0.178 25913 1701 1 8 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.188 0.152 25913 1702 1 8 . 1 1 25 25 PRO C C 25 176.386 176.386 176.999 -0.613 25913 1703 1 8 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.440 -0.773 25913 1704 1 8 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.748 2.928 25913 1705 1 8 . 1 1 26 26 ASP N N 26 122.078 122.078 115.603 6.475 25913 1706 1 8 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.668 -0.281 25913 1707 1 8 . 1 1 26 26 ASP C C 26 175.321 175.321 176.082 -0.761 25913 1708 1 8 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.415 1.940 25913 1709 1 8 . 1 1 26 26 ASP CB C 26 41.066 41.066 43.167 -2.101 25913 1710 1 8 . 1 1 26 26 ASP H H 26 8.752 8.752 7.698 1.054 25913 1711 1 8 . 1 1 27 27 TYR N N 27 117.607 117.607 117.210 0.397 25913 1712 1 8 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.979 -0.530 25913 1713 1 8 . 1 1 27 27 TYR C C 27 173.074 173.074 174.365 -1.291 25913 1714 1 8 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.331 1.107 25913 1715 1 8 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.849 -0.789 25913 1716 1 8 . 1 1 27 27 TYR H H 27 8.666 8.666 8.128 0.538 25913 1717 1 8 . 1 1 28 28 ILE N N 28 111.804 111.804 113.001 -1.197 25913 1718 1 8 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.522 0.253 25913 1719 1 8 . 1 1 28 28 ILE C C 28 175.083 175.083 174.642 0.441 25913 1720 1 8 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.637 -1.068 25913 1721 1 8 . 1 1 28 28 ILE CB C 28 42.107 42.107 40.923 1.184 25913 1722 1 8 . 1 1 28 28 ILE H H 28 6.761 6.761 7.251 -0.490 25913 1723 1 8 . 1 1 29 29 CYS N N 29 126.875 126.875 119.079 7.796 25913 1724 1 8 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.760 -0.352 25913 1725 1 8 . 1 1 29 29 CYS C C 29 175.932 175.932 175.201 0.731 25913 1726 1 8 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.741 0.661 25913 1727 1 8 . 1 1 29 29 CYS CB C 29 32.214 32.214 28.003 4.211 25913 1728 1 8 . 1 1 29 29 CYS H H 29 8.783 8.783 8.735 0.048 25913 1729 1 8 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.392 -0.010 25913 1730 1 8 . 1 1 30 30 PRO C C 30 176.824 176.824 177.769 -0.945 25913 1731 1 8 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.730 -0.689 25913 1732 1 8 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.968 0.376 25913 1733 1 8 . 1 1 31 31 ARG N N 31 124.131 124.131 117.555 6.576 25913 1734 1 8 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.392 -0.091 25913 1735 1 8 . 1 1 31 31 ARG C C 31 177.721 177.721 177.233 0.488 25913 1736 1 8 . 1 1 31 31 ARG CA C 31 58.190 58.190 58.074 0.116 25913 1737 1 8 . 1 1 31 31 ARG CB C 31 31.682 31.682 30.648 1.034 25913 1738 1 8 . 1 1 31 31 ARG H H 31 9.604 9.604 7.756 1.848 25913 1739 1 8 . 1 1 32 32 CYS N N 32 119.758 119.758 113.553 6.205 25913 1740 1 8 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.854 -0.015 25913 1741 1 8 . 1 1 32 32 CYS C C 32 176.450 176.450 174.569 1.881 25913 1742 1 8 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.572 1.138 25913 1743 1 8 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.344 3.886 25913 1744 1 8 . 1 1 32 32 CYS H H 32 8.549 8.549 7.767 0.782 25913 1745 1 8 . 1 1 33 33 GLU N N 33 118.109 118.109 119.773 -1.664 25913 1746 1 8 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.029 0.049 25913 1747 1 8 . 1 1 33 33 GLU C C 33 174.739 174.739 176.082 -1.343 25913 1748 1 8 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.563 0.955 25913 1749 1 8 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.149 -0.457 25913 1750 1 8 . 1 1 33 33 GLU H H 33 7.868 7.868 8.236 -0.368 25913 1751 1 8 . 1 1 34 34 SER N N 34 117.224 117.224 114.798 2.426 25913 1752 1 8 . 1 1 34 34 SER HA H 34 4.437 4.437 4.468 -0.032 25913 1753 1 8 . 1 1 34 34 SER C C 34 175.392 175.392 175.514 -0.122 25913 1754 1 8 . 1 1 34 34 SER CA C 34 59.277 59.277 59.871 -0.594 25913 1755 1 8 . 1 1 34 34 SER CB C 34 65.429 65.429 64.332 1.097 25913 1756 1 8 . 1 1 34 34 SER H H 34 8.786 8.786 7.982 0.804 25913 1757 1 8 . 1 1 35 35 GLY N N 35 111.095 111.095 107.649 3.446 25913 1758 1 8 . 1 1 35 35 GLY C C 35 175.730 175.730 174.207 1.523 25913 1759 1 8 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.593 0.648 25913 1760 1 8 . 1 1 35 35 GLY H H 35 8.511 8.511 8.472 0.039 25913 1761 1 8 . 1 1 36 36 PHE N N 36 126.409 126.409 125.114 1.295 25913 1762 1 8 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.449 0.702 25913 1763 1 8 . 1 1 36 36 PHE C C 36 174.098 174.098 174.801 -0.703 25913 1764 1 8 . 1 1 36 36 PHE CA C 36 55.269 55.269 59.130 -3.861 25913 1765 1 8 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.810 -1.783 25913 1766 1 8 . 1 1 36 36 PHE H H 36 8.850 8.850 7.640 1.210 25913 1767 1 8 . 1 1 37 37 ILE N N 37 117.377 117.377 116.230 1.147 25913 1768 1 8 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.365 -0.009 25913 1769 1 8 . 1 1 37 37 ILE C C 37 175.508 175.508 174.748 0.760 25913 1770 1 8 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.758 -0.070 25913 1771 1 8 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.686 -1.538 25913 1772 1 8 . 1 1 37 37 ILE H H 37 7.972 7.972 7.833 0.139 25913 1773 1 8 . 1 1 38 38 GLU N N 38 124.869 124.869 122.695 2.174 25913 1774 1 8 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.615 0.270 25913 1775 1 8 . 1 1 38 38 GLU C C 38 174.300 174.300 175.353 -1.053 25913 1776 1 8 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.914 -0.258 25913 1777 1 8 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.417 2.171 25913 1778 1 8 . 1 1 38 38 GLU H H 38 9.131 9.131 8.814 0.317 25913 1779 1 8 . 1 1 39 39 GLU N N 39 127.840 127.840 126.934 0.906 25913 1780 1 8 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.146 0.702 25913 1781 1 8 . 1 1 39 39 GLU C C 39 175.507 175.507 175.617 -0.110 25913 1782 1 8 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.695 0.810 25913 1783 1 8 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.884 1.365 25913 1784 1 8 . 1 1 39 39 GLU H H 39 8.844 8.844 8.661 0.183 25913 1785 1 9 . 1 1 0 0 SER HA H 0 4.525 4.525 4.255 0.270 25913 1786 1 9 . 1 1 0 0 SER C C 0 174.776 174.776 174.610 0.166 25913 1787 1 9 . 1 1 0 0 SER CA C 0 58.364 58.364 58.978 -0.614 25913 1788 1 9 . 1 1 0 0 SER CB C 0 64.049 64.049 62.360 1.689 25913 1789 1 9 . 1 1 1 1 MET N N 1 123.174 123.174 112.806 10.368 25913 1790 1 9 . 1 1 1 1 MET HA H 1 4.486 4.486 4.112 0.374 25913 1791 1 9 . 1 1 1 1 MET C C 1 176.177 176.177 174.876 1.301 25913 1792 1 9 . 1 1 1 1 MET CA C 1 55.804 55.804 56.096 -0.291 25913 1793 1 9 . 1 1 1 1 MET CB C 1 32.941 32.941 30.985 1.956 25913 1794 1 9 . 1 1 1 1 MET H H 1 8.592 8.592 8.263 0.329 25913 1795 1 9 . 1 1 2 2 ALA N N 2 125.785 125.785 121.912 3.873 25913 1796 1 9 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.474 -0.181 25913 1797 1 9 . 1 1 2 2 ALA C C 2 177.812 177.812 176.354 1.458 25913 1798 1 9 . 1 1 2 2 ALA CA C 2 52.809 52.809 52.131 0.678 25913 1799 1 9 . 1 1 2 2 ALA CB C 2 19.224 19.224 19.750 -0.526 25913 1800 1 9 . 1 1 2 2 ALA H H 2 8.337 8.337 7.551 0.786 25913 1801 1 9 . 1 1 3 3 GLU N N 3 120.731 120.731 117.750 2.981 25913 1802 1 9 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.057 0.199 25913 1803 1 9 . 1 1 3 3 GLU C C 3 176.186 176.186 175.499 0.687 25913 1804 1 9 . 1 1 3 3 GLU CA C 3 56.377 56.377 56.786 -0.409 25913 1805 1 9 . 1 1 3 3 GLU CB C 3 30.549 30.549 29.830 0.719 25913 1806 1 9 . 1 1 3 3 GLU H H 3 8.274 8.274 8.301 -0.027 25913 1807 1 9 . 1 1 4 4 ALA N N 4 125.716 125.716 128.594 -2.878 25913 1808 1 9 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.624 -0.279 25913 1809 1 9 . 1 1 4 4 ALA C C 4 177.530 177.530 176.483 1.047 25913 1810 1 9 . 1 1 4 4 ALA CA C 4 52.413 52.413 52.205 0.208 25913 1811 1 9 . 1 1 4 4 ALA CB C 4 19.466 19.466 18.565 0.901 25913 1812 1 9 . 1 1 4 4 ALA H H 4 8.271 8.271 8.434 -0.163 25913 1813 1 9 . 1 1 5 5 SER N N 5 117.161 117.161 117.360 -0.199 25913 1814 1 9 . 1 1 5 5 SER HA H 5 4.724 4.724 4.965 -0.241 25913 1815 1 9 . 1 1 5 5 SER C C 5 172.661 172.661 173.287 -0.626 25913 1816 1 9 . 1 1 5 5 SER CA C 5 56.354 56.354 56.341 0.013 25913 1817 1 9 . 1 1 5 5 SER CB C 5 63.442 63.442 63.775 -0.333 25913 1818 1 9 . 1 1 5 5 SER H H 5 8.259 8.259 7.829 0.430 25913 1819 1 9 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.319 0.095 25913 1820 1 9 . 1 1 6 6 PRO C C 6 176.523 176.523 175.989 0.534 25913 1821 1 9 . 1 1 6 6 PRO CA C 6 63.385 63.385 64.763 -1.378 25913 1822 1 9 . 1 1 6 6 PRO CB C 6 32.187 32.187 31.625 0.562 25913 1823 1 9 . 1 1 7 7 HIS N N 7 120.170 120.170 117.109 3.061 25913 1824 1 9 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.402 0.578 25913 1825 1 9 . 1 1 7 7 HIS C C 7 172.577 172.577 173.022 -0.445 25913 1826 1 9 . 1 1 7 7 HIS CA C 7 53.492 53.492 55.043 -1.551 25913 1827 1 9 . 1 1 7 7 HIS CB C 7 29.133 29.133 29.590 -0.457 25913 1828 1 9 . 1 1 7 7 HIS H H 7 8.489 8.489 8.295 0.194 25913 1829 1 9 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.708 -0.163 25913 1830 1 9 . 1 1 8 8 PRO C C 8 177.382 177.382 175.527 1.855 25913 1831 1 9 . 1 1 8 8 PRO CA C 8 63.443 63.443 62.057 1.386 25913 1832 1 9 . 1 1 8 8 PRO CB C 8 32.377 32.377 33.010 -0.633 25913 1833 1 9 . 1 1 9 9 GLY N N 9 110.263 110.263 106.949 3.314 25913 1834 1 9 . 1 1 9 9 GLY C C 9 172.859 172.859 173.511 -0.652 25913 1835 1 9 . 1 1 9 9 GLY CA C 9 45.211 45.211 45.721 -0.510 25913 1836 1 9 . 1 1 9 9 GLY H H 9 8.635 8.635 8.797 -0.162 25913 1837 1 9 . 1 1 10 10 ARG N N 10 121.025 121.025 122.682 -1.657 25913 1838 1 9 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.590 0.192 25913 1839 1 9 . 1 1 10 10 ARG C C 10 175.125 175.125 174.887 0.238 25913 1840 1 9 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.336 -0.980 25913 1841 1 9 . 1 1 10 10 ARG CB C 10 32.982 32.982 28.884 4.098 25913 1842 1 9 . 1 1 10 10 ARG H H 10 8.229 8.229 7.898 0.331 25913 1843 1 9 . 1 1 11 11 TYR N N 11 121.353 121.353 123.735 -2.382 25913 1844 1 9 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.625 -0.297 25913 1845 1 9 . 1 1 11 11 TYR C C 11 174.229 174.229 174.820 -0.591 25913 1846 1 9 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.081 0.968 25913 1847 1 9 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.409 -0.358 25913 1848 1 9 . 1 1 11 11 TYR H H 11 8.692 8.692 9.364 -0.672 25913 1849 1 9 . 1 1 12 12 PHE N N 12 122.456 122.456 121.800 0.656 25913 1850 1 9 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.291 -0.407 25913 1851 1 9 . 1 1 12 12 PHE C C 12 174.224 174.224 174.598 -0.374 25913 1852 1 9 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.480 0.539 25913 1853 1 9 . 1 1 12 12 PHE CB C 12 44.078 44.078 42.156 1.922 25913 1854 1 9 . 1 1 12 12 PHE H H 12 9.415 9.415 8.977 0.438 25913 1855 1 9 . 1 1 13 13 CYS N N 13 128.438 128.438 128.426 0.012 25913 1856 1 9 . 1 1 13 13 CYS HA H 13 4.653 4.653 5.046 -0.393 25913 1857 1 9 . 1 1 13 13 CYS C C 13 176.686 176.686 175.338 1.348 25913 1858 1 9 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.507 0.821 25913 1859 1 9 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.192 3.028 25913 1860 1 9 . 1 1 13 13 CYS H H 13 7.942 7.942 8.909 -0.967 25913 1861 1 9 . 1 1 14 14 HIS N N 14 126.467 126.467 125.931 0.536 25913 1862 1 9 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.564 -0.241 25913 1863 1 9 . 1 1 14 14 HIS C C 14 175.452 175.452 176.321 -0.869 25913 1864 1 9 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.503 0.233 25913 1865 1 9 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.541 -1.350 25913 1866 1 9 . 1 1 14 14 HIS H H 14 8.971 8.971 9.589 -0.618 25913 1867 1 9 . 1 1 15 15 CYS N N 15 123.882 123.882 117.633 6.249 25913 1868 1 9 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.350 0.092 25913 1869 1 9 . 1 1 15 15 CYS C C 15 176.939 176.939 175.897 1.042 25913 1870 1 9 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.884 -0.180 25913 1871 1 9 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.299 0.042 25913 1872 1 9 . 1 1 15 15 CYS H H 15 9.195 9.195 8.322 0.873 25913 1873 1 9 . 1 1 16 16 CYS N N 16 124.898 124.898 117.879 7.019 25913 1874 1 9 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.595 -0.597 25913 1875 1 9 . 1 1 16 16 CYS C C 16 175.557 175.557 173.960 1.597 25913 1876 1 9 . 1 1 16 16 CYS CB C 16 30.961 30.961 28.536 2.425 25913 1877 1 9 . 1 1 16 16 CYS H H 16 9.794 9.794 7.817 1.977 25913 1878 1 9 . 1 1 17 17 SER N N 17 114.055 114.055 114.618 -0.563 25913 1879 1 9 . 1 1 17 17 SER HA H 17 3.755 3.755 4.095 -0.340 25913 1880 1 9 . 1 1 17 17 SER C C 17 173.790 173.790 173.184 0.606 25913 1881 1 9 . 1 1 17 17 SER CA C 17 58.868 58.868 59.338 -0.470 25913 1882 1 9 . 1 1 17 17 SER CB C 17 61.703 61.703 60.863 0.840 25913 1883 1 9 . 1 1 17 17 SER H H 17 7.950 7.950 7.951 -0.001 25913 1884 1 9 . 1 1 18 18 VAL N N 18 111.916 111.916 112.683 -0.767 25913 1885 1 9 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.307 0.151 25913 1886 1 9 . 1 1 18 18 VAL C C 18 173.765 173.765 173.495 0.270 25913 1887 1 9 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.676 -0.644 25913 1888 1 9 . 1 1 18 18 VAL CB C 18 36.667 36.667 34.918 1.749 25913 1889 1 9 . 1 1 18 18 VAL H H 18 6.438 6.438 7.053 -0.615 25913 1890 1 9 . 1 1 19 19 GLU N N 19 123.431 123.431 122.972 0.459 25913 1891 1 9 . 1 1 19 19 GLU HA H 19 5.023 5.023 5.021 0.002 25913 1892 1 9 . 1 1 19 19 GLU C C 19 176.506 176.506 175.895 0.611 25913 1893 1 9 . 1 1 19 19 GLU CA C 19 56.818 56.818 55.908 0.910 25913 1894 1 9 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.687 -0.522 25913 1895 1 9 . 1 1 19 19 GLU H H 19 8.346 8.346 8.356 -0.010 25913 1896 1 9 . 1 1 20 20 ILE N N 20 117.751 117.751 121.987 -4.236 25913 1897 1 9 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.642 0.099 25913 1898 1 9 . 1 1 20 20 ILE C C 20 175.511 175.511 173.902 1.609 25913 1899 1 9 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.487 -0.542 25913 1900 1 9 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.952 2.715 25913 1901 1 9 . 1 1 20 20 ILE H H 20 8.537 8.537 8.991 -0.454 25913 1902 1 9 . 1 1 21 21 VAL N N 21 124.220 124.220 121.949 2.271 25913 1903 1 9 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.163 -0.577 25913 1904 1 9 . 1 1 21 21 VAL C C 21 174.640 174.640 174.072 0.568 25913 1905 1 9 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.822 1.896 25913 1906 1 9 . 1 1 21 21 VAL CB C 21 32.503 32.503 33.049 -0.546 25913 1907 1 9 . 1 1 21 21 VAL H H 21 8.203 8.203 8.350 -0.147 25913 1908 1 9 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.689 -0.630 25913 1909 1 9 . 1 1 22 22 PRO C C 22 175.352 175.352 176.145 -0.793 25913 1910 1 9 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.515 0.146 25913 1911 1 9 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.344 -0.330 25913 1912 1 9 . 1 1 23 23 ARG N N 23 121.370 121.370 122.636 -1.266 25913 1913 1 9 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.243 0.012 25913 1914 1 9 . 1 1 23 23 ARG C C 23 175.759 175.759 176.668 -0.909 25913 1915 1 9 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.039 0.013 25913 1916 1 9 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.184 1.702 25913 1917 1 9 . 1 1 23 23 ARG H H 23 8.635 8.635 8.065 0.570 25913 1918 1 9 . 1 1 24 24 LEU N N 24 127.914 127.914 127.413 0.501 25913 1919 1 9 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.776 0.397 25913 1920 1 9 . 1 1 24 24 LEU C C 24 175.774 175.774 175.892 -0.118 25913 1921 1 9 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.587 -5.649 25913 1922 1 9 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.277 2.143 25913 1923 1 9 . 1 1 24 24 LEU H H 24 8.521 8.521 8.719 -0.198 25913 1924 1 9 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.183 0.157 25913 1925 1 9 . 1 1 25 25 PRO C C 25 176.386 176.386 176.954 -0.568 25913 1926 1 9 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.493 -0.826 25913 1927 1 9 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.780 2.896 25913 1928 1 9 . 1 1 26 26 ASP N N 26 122.078 122.078 115.598 6.480 25913 1929 1 9 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.657 -0.270 25913 1930 1 9 . 1 1 26 26 ASP C C 26 175.321 175.321 176.046 -0.725 25913 1931 1 9 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.608 1.747 25913 1932 1 9 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.024 -0.958 25913 1933 1 9 . 1 1 26 26 ASP H H 26 8.752 8.752 7.628 1.124 25913 1934 1 9 . 1 1 27 27 TYR N N 27 117.607 117.607 116.523 1.084 25913 1935 1 9 . 1 1 27 27 TYR HA H 27 3.449 3.449 4.019 -0.570 25913 1936 1 9 . 1 1 27 27 TYR C C 27 173.074 173.074 174.320 -1.246 25913 1937 1 9 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.277 1.160 25913 1938 1 9 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.763 -0.703 25913 1939 1 9 . 1 1 27 27 TYR H H 27 8.666 8.666 8.174 0.492 25913 1940 1 9 . 1 1 28 28 ILE N N 28 111.804 111.804 112.492 -0.688 25913 1941 1 9 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.502 0.273 25913 1942 1 9 . 1 1 28 28 ILE C C 28 175.083 175.083 174.330 0.753 25913 1943 1 9 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.106 -0.537 25913 1944 1 9 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.500 0.607 25913 1945 1 9 . 1 1 28 28 ILE H H 28 6.761 6.761 7.287 -0.526 25913 1946 1 9 . 1 1 29 29 CYS N N 29 126.875 126.875 118.705 8.170 25913 1947 1 9 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.790 -0.382 25913 1948 1 9 . 1 1 29 29 CYS C C 29 175.932 175.932 175.121 0.811 25913 1949 1 9 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.687 0.715 25913 1950 1 9 . 1 1 29 29 CYS CB C 29 32.214 32.214 28.126 4.088 25913 1951 1 9 . 1 1 29 29 CYS H H 29 8.783 8.783 8.726 0.057 25913 1952 1 9 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.449 -0.067 25913 1953 1 9 . 1 1 30 30 PRO C C 30 176.824 176.824 177.187 -0.363 25913 1954 1 9 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.153 -0.114 25913 1955 1 9 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.980 0.364 25913 1956 1 9 . 1 1 31 31 ARG N N 31 124.131 124.131 117.486 6.645 25913 1957 1 9 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.454 -0.153 25913 1958 1 9 . 1 1 31 31 ARG C C 31 177.721 177.721 177.168 0.553 25913 1959 1 9 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.663 0.527 25913 1960 1 9 . 1 1 31 31 ARG CB C 31 31.682 31.682 30.967 0.715 25913 1961 1 9 . 1 1 31 31 ARG H H 31 9.604 9.604 7.682 1.922 25913 1962 1 9 . 1 1 32 32 CYS N N 32 119.758 119.758 114.363 5.395 25913 1963 1 9 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.856 -0.017 25913 1964 1 9 . 1 1 32 32 CYS C C 32 176.450 176.450 174.434 2.016 25913 1965 1 9 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.637 1.073 25913 1966 1 9 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.324 3.906 25913 1967 1 9 . 1 1 32 32 CYS H H 32 8.549 8.549 7.776 0.773 25913 1968 1 9 . 1 1 33 33 GLU N N 33 118.109 118.109 119.855 -1.746 25913 1969 1 9 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.053 0.025 25913 1970 1 9 . 1 1 33 33 GLU C C 33 174.739 174.739 176.096 -1.357 25913 1971 1 9 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.546 0.972 25913 1972 1 9 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.083 -0.391 25913 1973 1 9 . 1 1 33 33 GLU H H 33 7.868 7.868 8.231 -0.363 25913 1974 1 9 . 1 1 34 34 SER N N 34 117.224 117.224 115.090 2.134 25913 1975 1 9 . 1 1 34 34 SER HA H 34 4.437 4.437 4.486 -0.049 25913 1976 1 9 . 1 1 34 34 SER C C 34 175.392 175.392 175.608 -0.216 25913 1977 1 9 . 1 1 34 34 SER CA C 34 59.277 59.277 59.885 -0.608 25913 1978 1 9 . 1 1 34 34 SER CB C 34 65.429 65.429 64.413 1.016 25913 1979 1 9 . 1 1 34 34 SER H H 34 8.786 8.786 7.991 0.795 25913 1980 1 9 . 1 1 35 35 GLY N N 35 111.095 111.095 108.043 3.052 25913 1981 1 9 . 1 1 35 35 GLY C C 35 175.730 175.730 174.571 1.159 25913 1982 1 9 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.612 0.629 25913 1983 1 9 . 1 1 35 35 GLY H H 35 8.511 8.511 8.406 0.105 25913 1984 1 9 . 1 1 36 36 PHE N N 36 126.409 126.409 125.119 1.290 25913 1985 1 9 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.478 0.673 25913 1986 1 9 . 1 1 36 36 PHE C C 36 174.098 174.098 174.662 -0.564 25913 1987 1 9 . 1 1 36 36 PHE CA C 36 55.269 55.269 58.831 -3.562 25913 1988 1 9 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.440 -1.413 25913 1989 1 9 . 1 1 36 36 PHE H H 36 8.850 8.850 7.802 1.048 25913 1990 1 9 . 1 1 37 37 ILE N N 37 117.377 117.377 115.695 1.682 25913 1991 1 9 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.482 -0.126 25913 1992 1 9 . 1 1 37 37 ILE C C 37 175.508 175.508 175.003 0.505 25913 1993 1 9 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.602 0.084 25913 1994 1 9 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.455 -1.306 25913 1995 1 9 . 1 1 37 37 ILE H H 37 7.972 7.972 7.959 0.013 25913 1996 1 9 . 1 1 38 38 GLU N N 38 124.869 124.869 123.180 1.689 25913 1997 1 9 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.584 0.301 25913 1998 1 9 . 1 1 38 38 GLU C C 38 174.300 174.300 175.310 -1.010 25913 1999 1 9 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.867 -0.211 25913 2000 1 9 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.259 2.330 25913 2001 1 9 . 1 1 38 38 GLU H H 38 9.131 9.131 8.912 0.219 25913 2002 1 9 . 1 1 39 39 GLU N N 39 127.840 127.840 127.169 0.671 25913 2003 1 9 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.089 0.759 25913 2004 1 9 . 1 1 39 39 GLU C C 39 175.507 175.507 175.527 -0.020 25913 2005 1 9 . 1 1 39 39 GLU CA C 39 56.505 56.505 56.123 0.382 25913 2006 1 9 . 1 1 39 39 GLU CB C 39 30.249 30.249 29.034 1.215 25913 2007 1 9 . 1 1 39 39 GLU H H 39 8.844 8.844 8.583 0.261 25913 2008 1 10 . 1 1 0 0 SER HA H 0 4.525 4.525 4.395 0.130 25913 2009 1 10 . 1 1 0 0 SER C C 0 174.776 174.776 175.605 -0.829 25913 2010 1 10 . 1 1 0 0 SER CA C 0 58.364 58.364 58.900 -0.536 25913 2011 1 10 . 1 1 0 0 SER CB C 0 64.049 64.049 63.701 0.348 25913 2012 1 10 . 1 1 1 1 MET N N 1 123.174 123.174 121.729 1.445 25913 2013 1 10 . 1 1 1 1 MET HA H 1 4.486 4.486 4.493 -0.007 25913 2014 1 10 . 1 1 1 1 MET C C 1 176.177 176.177 175.244 0.933 25913 2015 1 10 . 1 1 1 1 MET CA C 1 55.804 55.804 53.774 2.030 25913 2016 1 10 . 1 1 1 1 MET CB C 1 32.941 32.941 30.101 2.840 25913 2017 1 10 . 1 1 1 1 MET H H 1 8.592 8.592 8.150 0.442 25913 2018 1 10 . 1 1 2 2 ALA N N 2 125.785 125.785 122.564 3.221 25913 2019 1 10 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.446 -0.153 25913 2020 1 10 . 1 1 2 2 ALA C C 2 177.812 177.812 177.002 0.810 25913 2021 1 10 . 1 1 2 2 ALA CA C 2 52.809 52.809 52.018 0.791 25913 2022 1 10 . 1 1 2 2 ALA CB C 2 19.224 19.224 19.335 -0.111 25913 2023 1 10 . 1 1 2 2 ALA H H 2 8.337 8.337 7.824 0.513 25913 2024 1 10 . 1 1 3 3 GLU N N 3 120.731 120.731 115.980 4.751 25913 2025 1 10 . 1 1 3 3 GLU HA H 3 4.256 4.256 3.853 0.403 25913 2026 1 10 . 1 1 3 3 GLU C C 3 176.186 176.186 175.610 0.576 25913 2027 1 10 . 1 1 3 3 GLU CA C 3 56.377 56.377 56.868 -0.492 25913 2028 1 10 . 1 1 3 3 GLU CB C 3 30.549 30.549 27.476 3.073 25913 2029 1 10 . 1 1 3 3 GLU H H 3 8.274 8.274 8.475 -0.201 25913 2030 1 10 . 1 1 4 4 ALA N N 4 125.716 125.716 120.989 4.727 25913 2031 1 10 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.530 -0.185 25913 2032 1 10 . 1 1 4 4 ALA C C 4 177.530 177.530 177.277 0.253 25913 2033 1 10 . 1 1 4 4 ALA CA C 4 52.413 52.413 52.899 -0.486 25913 2034 1 10 . 1 1 4 4 ALA CB C 4 19.466 19.466 20.739 -1.273 25913 2035 1 10 . 1 1 4 4 ALA H H 4 8.271 8.271 8.183 0.088 25913 2036 1 10 . 1 1 5 5 SER N N 5 117.161 117.161 114.967 2.194 25913 2037 1 10 . 1 1 5 5 SER HA H 5 4.724 4.724 4.639 0.085 25913 2038 1 10 . 1 1 5 5 SER C C 5 172.661 172.661 172.715 -0.054 25913 2039 1 10 . 1 1 5 5 SER CA C 5 56.354 56.354 55.667 0.687 25913 2040 1 10 . 1 1 5 5 SER CB C 5 63.442 63.442 63.955 -0.513 25913 2041 1 10 . 1 1 5 5 SER H H 5 8.259 8.259 7.701 0.558 25913 2042 1 10 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.712 -0.298 25913 2043 1 10 . 1 1 6 6 PRO C C 6 176.523 176.523 175.668 0.855 25913 2044 1 10 . 1 1 6 6 PRO CA C 6 63.385 63.385 63.042 0.343 25913 2045 1 10 . 1 1 6 6 PRO CB C 6 32.187 32.187 31.794 0.393 25913 2046 1 10 . 1 1 7 7 HIS N N 7 120.170 120.170 116.519 3.651 25913 2047 1 10 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.927 0.053 25913 2048 1 10 . 1 1 7 7 HIS C C 7 172.577 172.577 172.569 0.008 25913 2049 1 10 . 1 1 7 7 HIS CA C 7 53.492 53.492 52.944 0.548 25913 2050 1 10 . 1 1 7 7 HIS CB C 7 29.133 29.133 29.708 -0.575 25913 2051 1 10 . 1 1 7 7 HIS H H 7 8.489 8.489 7.351 1.138 25913 2052 1 10 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.441 0.105 25913 2053 1 10 . 1 1 8 8 PRO C C 8 177.382 177.382 176.834 0.548 25913 2054 1 10 . 1 1 8 8 PRO CA C 8 63.443 63.443 63.647 -0.203 25913 2055 1 10 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.297 0.080 25913 2056 1 10 . 1 1 9 9 GLY N N 9 110.263 110.263 109.530 0.733 25913 2057 1 10 . 1 1 9 9 GLY C C 9 172.859 172.859 173.145 -0.286 25913 2058 1 10 . 1 1 9 9 GLY CA C 9 45.211 45.211 46.051 -0.840 25913 2059 1 10 . 1 1 9 9 GLY H H 9 8.635 8.635 8.953 -0.318 25913 2060 1 10 . 1 1 10 10 ARG N N 10 121.025 121.025 123.236 -2.211 25913 2061 1 10 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.974 -0.192 25913 2062 1 10 . 1 1 10 10 ARG C C 10 175.125 175.125 174.896 0.229 25913 2063 1 10 . 1 1 10 10 ARG CA C 10 55.356 55.356 55.943 -0.587 25913 2064 1 10 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.286 3.696 25913 2065 1 10 . 1 1 10 10 ARG H H 10 8.229 8.229 8.039 0.190 25913 2066 1 10 . 1 1 11 11 TYR N N 11 121.353 121.353 123.841 -2.488 25913 2067 1 10 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.665 -0.337 25913 2068 1 10 . 1 1 11 11 TYR C C 11 174.229 174.229 174.658 -0.429 25913 2069 1 10 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.085 0.964 25913 2070 1 10 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.418 -0.367 25913 2071 1 10 . 1 1 11 11 TYR H H 11 8.692 8.692 9.369 -0.677 25913 2072 1 10 . 1 1 12 12 PHE N N 12 122.456 122.456 122.220 0.236 25913 2073 1 10 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.309 -0.425 25913 2074 1 10 . 1 1 12 12 PHE C C 12 174.224 174.224 174.922 -0.698 25913 2075 1 10 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.406 0.613 25913 2076 1 10 . 1 1 12 12 PHE CB C 12 44.078 44.078 41.861 2.217 25913 2077 1 10 . 1 1 12 12 PHE H H 12 9.415 9.415 8.982 0.433 25913 2078 1 10 . 1 1 13 13 CYS N N 13 128.438 128.438 128.447 -0.009 25913 2079 1 10 . 1 1 13 13 CYS HA H 13 4.653 4.653 5.013 -0.360 25913 2080 1 10 . 1 1 13 13 CYS C C 13 176.686 176.686 175.357 1.329 25913 2081 1 10 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.673 0.655 25913 2082 1 10 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.238 2.982 25913 2083 1 10 . 1 1 13 13 CYS H H 13 7.942 7.942 8.844 -0.902 25913 2084 1 10 . 1 1 14 14 HIS N N 14 126.467 126.467 125.942 0.525 25913 2085 1 10 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.596 -0.273 25913 2086 1 10 . 1 1 14 14 HIS C C 14 175.452 175.452 176.408 -0.956 25913 2087 1 10 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.545 0.191 25913 2088 1 10 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.814 -1.623 25913 2089 1 10 . 1 1 14 14 HIS H H 14 8.971 8.971 9.539 -0.568 25913 2090 1 10 . 1 1 15 15 CYS N N 15 123.882 123.882 118.635 5.247 25913 2091 1 10 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.276 0.166 25913 2092 1 10 . 1 1 15 15 CYS C C 15 176.939 176.939 176.153 0.786 25913 2093 1 10 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.760 -0.056 25913 2094 1 10 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.882 -0.541 25913 2095 1 10 . 1 1 15 15 CYS H H 15 9.195 9.195 8.228 0.967 25913 2096 1 10 . 1 1 16 16 CYS N N 16 124.898 124.898 118.657 6.241 25913 2097 1 10 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.554 -0.556 25913 2098 1 10 . 1 1 16 16 CYS C C 16 175.557 175.557 174.226 1.331 25913 2099 1 10 . 1 1 16 16 CYS CB C 16 30.961 30.961 28.316 2.645 25913 2100 1 10 . 1 1 16 16 CYS H H 16 9.794 9.794 7.820 1.974 25913 2101 1 10 . 1 1 17 17 SER N N 17 114.055 114.055 114.216 -0.161 25913 2102 1 10 . 1 1 17 17 SER HA H 17 3.755 3.755 4.173 -0.418 25913 2103 1 10 . 1 1 17 17 SER C C 17 173.790 173.790 173.148 0.642 25913 2104 1 10 . 1 1 17 17 SER CA C 17 58.868 58.868 59.280 -0.412 25913 2105 1 10 . 1 1 17 17 SER CB C 17 61.703 61.703 61.018 0.685 25913 2106 1 10 . 1 1 17 17 SER H H 17 7.950 7.950 8.056 -0.106 25913 2107 1 10 . 1 1 18 18 VAL N N 18 111.916 111.916 113.210 -1.294 25913 2108 1 10 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.162 0.296 25913 2109 1 10 . 1 1 18 18 VAL C C 18 173.765 173.765 173.629 0.136 25913 2110 1 10 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.162 -0.130 25913 2111 1 10 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.123 1.544 25913 2112 1 10 . 1 1 18 18 VAL H H 18 6.438 6.438 6.724 -0.286 25913 2113 1 10 . 1 1 19 19 GLU N N 19 123.431 123.431 122.233 1.198 25913 2114 1 10 . 1 1 19 19 GLU HA H 19 5.023 5.023 4.951 0.072 25913 2115 1 10 . 1 1 19 19 GLU C C 19 176.506 176.506 176.031 0.475 25913 2116 1 10 . 1 1 19 19 GLU CA C 19 56.818 56.818 55.969 0.848 25913 2117 1 10 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.771 -0.606 25913 2118 1 10 . 1 1 19 19 GLU H H 19 8.346 8.346 8.325 0.021 25913 2119 1 10 . 1 1 20 20 ILE N N 20 117.751 117.751 121.702 -3.951 25913 2120 1 10 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.715 0.026 25913 2121 1 10 . 1 1 20 20 ILE C C 20 175.511 175.511 173.894 1.617 25913 2122 1 10 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.502 -0.556 25913 2123 1 10 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.960 2.707 25913 2124 1 10 . 1 1 20 20 ILE H H 20 8.537 8.537 9.076 -0.539 25913 2125 1 10 . 1 1 21 21 VAL N N 21 124.220 124.220 121.901 2.319 25913 2126 1 10 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.323 -0.737 25913 2127 1 10 . 1 1 21 21 VAL C C 21 174.640 174.640 174.255 0.385 25913 2128 1 10 . 1 1 21 21 VAL CA C 21 59.718 59.718 58.025 1.693 25913 2129 1 10 . 1 1 21 21 VAL CB C 21 32.503 32.503 33.975 -1.472 25913 2130 1 10 . 1 1 21 21 VAL H H 21 8.203 8.203 8.337 -0.134 25913 2131 1 10 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.589 -0.530 25913 2132 1 10 . 1 1 22 22 PRO C C 22 175.352 175.352 176.152 -0.800 25913 2133 1 10 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.511 0.150 25913 2134 1 10 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.486 -0.472 25913 2135 1 10 . 1 1 23 23 ARG N N 23 121.370 121.370 122.382 -1.012 25913 2136 1 10 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.172 0.083 25913 2137 1 10 . 1 1 23 23 ARG C C 23 175.759 175.759 176.727 -0.968 25913 2138 1 10 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.230 -0.178 25913 2139 1 10 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.056 1.830 25913 2140 1 10 . 1 1 23 23 ARG H H 23 8.635 8.635 8.090 0.545 25913 2141 1 10 . 1 1 24 24 LEU N N 24 127.914 127.914 127.347 0.567 25913 2142 1 10 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.759 0.414 25913 2143 1 10 . 1 1 24 24 LEU C C 24 175.774 175.774 175.920 -0.146 25913 2144 1 10 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.412 -5.474 25913 2145 1 10 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.203 2.217 25913 2146 1 10 . 1 1 24 24 LEU H H 24 8.521 8.521 8.574 -0.053 25913 2147 1 10 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.152 0.188 25913 2148 1 10 . 1 1 25 25 PRO C C 25 176.386 176.386 177.060 -0.674 25913 2149 1 10 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.525 -0.858 25913 2150 1 10 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.737 2.939 25913 2151 1 10 . 1 1 26 26 ASP N N 26 122.078 122.078 115.279 6.799 25913 2152 1 10 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.661 -0.274 25913 2153 1 10 . 1 1 26 26 ASP C C 26 175.321 175.321 176.163 -0.842 25913 2154 1 10 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.364 1.991 25913 2155 1 10 . 1 1 26 26 ASP CB C 26 41.066 41.066 43.151 -2.085 25913 2156 1 10 . 1 1 26 26 ASP H H 26 8.752 8.752 7.742 1.010 25913 2157 1 10 . 1 1 27 27 TYR N N 27 117.607 117.607 117.402 0.205 25913 2158 1 10 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.984 -0.535 25913 2159 1 10 . 1 1 27 27 TYR C C 27 173.074 173.074 174.197 -1.123 25913 2160 1 10 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.414 1.023 25913 2161 1 10 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.843 -0.783 25913 2162 1 10 . 1 1 27 27 TYR H H 27 8.666 8.666 8.253 0.413 25913 2163 1 10 . 1 1 28 28 ILE N N 28 111.804 111.804 112.386 -0.582 25913 2164 1 10 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.498 0.277 25913 2165 1 10 . 1 1 28 28 ILE C C 28 175.083 175.083 174.324 0.759 25913 2166 1 10 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.022 -0.453 25913 2167 1 10 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.525 0.582 25913 2168 1 10 . 1 1 28 28 ILE H H 28 6.761 6.761 7.285 -0.524 25913 2169 1 10 . 1 1 29 29 CYS N N 29 126.875 126.875 118.896 7.979 25913 2170 1 10 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.767 -0.359 25913 2171 1 10 . 1 1 29 29 CYS C C 29 175.932 175.932 175.174 0.758 25913 2172 1 10 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.727 0.674 25913 2173 1 10 . 1 1 29 29 CYS CB C 29 32.214 32.214 28.000 4.214 25913 2174 1 10 . 1 1 29 29 CYS H H 29 8.783 8.783 8.710 0.073 25913 2175 1 10 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.411 -0.029 25913 2176 1 10 . 1 1 30 30 PRO C C 30 176.824 176.824 177.723 -0.899 25913 2177 1 10 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.614 -0.574 25913 2178 1 10 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.915 0.429 25913 2179 1 10 . 1 1 31 31 ARG N N 31 124.131 124.131 117.515 6.616 25913 2180 1 10 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.415 -0.114 25913 2181 1 10 . 1 1 31 31 ARG C C 31 177.721 177.721 177.166 0.555 25913 2182 1 10 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.963 0.227 25913 2183 1 10 . 1 1 31 31 ARG CB C 31 31.682 31.682 30.774 0.908 25913 2184 1 10 . 1 1 31 31 ARG H H 31 9.604 9.604 7.734 1.870 25913 2185 1 10 . 1 1 32 32 CYS N N 32 119.758 119.758 113.755 6.003 25913 2186 1 10 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.846 -0.007 25913 2187 1 10 . 1 1 32 32 CYS C C 32 176.450 176.450 174.331 2.119 25913 2188 1 10 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.531 1.179 25913 2189 1 10 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.453 3.777 25913 2190 1 10 . 1 1 32 32 CYS H H 32 8.549 8.549 7.734 0.815 25913 2191 1 10 . 1 1 33 33 GLU N N 33 118.109 118.109 120.000 -1.891 25913 2192 1 10 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.031 0.047 25913 2193 1 10 . 1 1 33 33 GLU C C 33 174.739 174.739 175.990 -1.251 25913 2194 1 10 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.476 1.042 25913 2195 1 10 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.087 -0.395 25913 2196 1 10 . 1 1 33 33 GLU H H 33 7.868 7.868 8.276 -0.408 25913 2197 1 10 . 1 1 34 34 SER N N 34 117.224 117.224 115.054 2.170 25913 2198 1 10 . 1 1 34 34 SER HA H 34 4.437 4.437 4.475 -0.038 25913 2199 1 10 . 1 1 34 34 SER C C 34 175.392 175.392 175.687 -0.295 25913 2200 1 10 . 1 1 34 34 SER CA C 34 59.277 59.277 59.948 -0.671 25913 2201 1 10 . 1 1 34 34 SER CB C 34 65.429 65.429 64.315 1.114 25913 2202 1 10 . 1 1 34 34 SER H H 34 8.786 8.786 8.114 0.672 25913 2203 1 10 . 1 1 35 35 GLY N N 35 111.095 111.095 107.836 3.259 25913 2204 1 10 . 1 1 35 35 GLY C C 35 175.730 175.730 174.829 0.901 25913 2205 1 10 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.759 0.482 25913 2206 1 10 . 1 1 35 35 GLY H H 35 8.511 8.511 8.520 -0.009 25913 2207 1 10 . 1 1 36 36 PHE N N 36 126.409 126.409 124.885 1.524 25913 2208 1 10 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.512 0.639 25913 2209 1 10 . 1 1 36 36 PHE C C 36 174.098 174.098 174.614 -0.516 25913 2210 1 10 . 1 1 36 36 PHE CA C 36 55.269 55.269 57.781 -2.512 25913 2211 1 10 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.108 -1.081 25913 2212 1 10 . 1 1 36 36 PHE H H 36 8.850 8.850 7.867 0.983 25913 2213 1 10 . 1 1 37 37 ILE N N 37 117.377 117.377 114.926 2.451 25913 2214 1 10 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.410 -0.054 25913 2215 1 10 . 1 1 37 37 ILE C C 37 175.508 175.508 174.984 0.524 25913 2216 1 10 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.682 0.005 25913 2217 1 10 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.501 -1.353 25913 2218 1 10 . 1 1 37 37 ILE H H 37 7.972 7.972 7.926 0.046 25913 2219 1 10 . 1 1 38 38 GLU N N 38 124.869 124.869 123.049 1.820 25913 2220 1 10 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.661 0.224 25913 2221 1 10 . 1 1 38 38 GLU C C 38 174.300 174.300 175.254 -0.954 25913 2222 1 10 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.881 -0.225 25913 2223 1 10 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.639 1.950 25913 2224 1 10 . 1 1 38 38 GLU H H 38 9.131 9.131 8.875 0.256 25913 2225 1 10 . 1 1 39 39 GLU N N 39 127.840 127.840 127.330 0.510 25913 2226 1 10 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.256 0.592 25913 2227 1 10 . 1 1 39 39 GLU C C 39 175.507 175.507 175.728 -0.221 25913 2228 1 10 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.986 0.519 25913 2229 1 10 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.948 1.301 25913 2230 1 10 . 1 1 39 39 GLU H H 39 8.844 8.844 8.629 0.215 25913 2231 1 11 . 1 1 0 0 SER HA H 0 4.525 4.525 4.307 0.218 25913 2232 1 11 . 1 1 0 0 SER C C 0 174.776 174.776 174.604 0.172 25913 2233 1 11 . 1 1 0 0 SER CA C 0 58.364 58.364 58.556 -0.192 25913 2234 1 11 . 1 1 0 0 SER CB C 0 64.049 64.049 63.113 0.936 25913 2235 1 11 . 1 1 1 1 MET N N 1 123.174 123.174 118.119 5.055 25913 2236 1 11 . 1 1 1 1 MET HA H 1 4.486 4.486 4.638 -0.152 25913 2237 1 11 . 1 1 1 1 MET C C 1 176.177 176.177 175.275 0.902 25913 2238 1 11 . 1 1 1 1 MET CA C 1 55.804 55.804 55.771 0.033 25913 2239 1 11 . 1 1 1 1 MET CB C 1 32.941 32.941 30.870 2.071 25913 2240 1 11 . 1 1 1 1 MET H H 1 8.592 8.592 8.345 0.247 25913 2241 1 11 . 1 1 2 2 ALA N N 2 125.785 125.785 123.619 2.166 25913 2242 1 11 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.537 -0.244 25913 2243 1 11 . 1 1 2 2 ALA C C 2 177.812 177.812 177.418 0.394 25913 2244 1 11 . 1 1 2 2 ALA CA C 2 52.809 52.809 51.895 0.913 25913 2245 1 11 . 1 1 2 2 ALA CB C 2 19.224 19.224 19.668 -0.444 25913 2246 1 11 . 1 1 2 2 ALA H H 2 8.337 8.337 8.143 0.194 25913 2247 1 11 . 1 1 3 3 GLU N N 3 120.731 120.731 119.520 1.211 25913 2248 1 11 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.342 -0.086 25913 2249 1 11 . 1 1 3 3 GLU C C 3 176.186 176.186 177.186 -1.000 25913 2250 1 11 . 1 1 3 3 GLU CA C 3 56.377 56.377 56.082 0.295 25913 2251 1 11 . 1 1 3 3 GLU CB C 3 30.549 30.549 29.473 1.076 25913 2252 1 11 . 1 1 3 3 GLU H H 3 8.274 8.274 8.601 -0.327 25913 2253 1 11 . 1 1 4 4 ALA N N 4 125.716 125.716 122.913 2.803 25913 2254 1 11 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.233 0.112 25913 2255 1 11 . 1 1 4 4 ALA C C 4 177.530 177.530 177.858 -0.328 25913 2256 1 11 . 1 1 4 4 ALA CA C 4 52.413 52.413 53.619 -1.206 25913 2257 1 11 . 1 1 4 4 ALA CB C 4 19.466 19.466 18.958 0.508 25913 2258 1 11 . 1 1 4 4 ALA H H 4 8.271 8.271 7.936 0.335 25913 2259 1 11 . 1 1 5 5 SER N N 5 117.161 117.161 114.282 2.879 25913 2260 1 11 . 1 1 5 5 SER HA H 5 4.724 4.724 4.819 -0.095 25913 2261 1 11 . 1 1 5 5 SER C C 5 172.661 172.661 173.062 -0.401 25913 2262 1 11 . 1 1 5 5 SER CA C 5 56.354 56.354 55.139 1.215 25913 2263 1 11 . 1 1 5 5 SER CB C 5 63.442 63.442 63.119 0.323 25913 2264 1 11 . 1 1 5 5 SER H H 5 8.259 8.259 7.784 0.475 25913 2265 1 11 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.334 0.080 25913 2266 1 11 . 1 1 6 6 PRO C C 6 176.523 176.523 176.136 0.387 25913 2267 1 11 . 1 1 6 6 PRO CA C 6 63.385 63.385 64.599 -1.214 25913 2268 1 11 . 1 1 6 6 PRO CB C 6 32.187 32.187 32.016 0.171 25913 2269 1 11 . 1 1 7 7 HIS N N 7 120.170 120.170 112.953 7.217 25913 2270 1 11 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.817 0.163 25913 2271 1 11 . 1 1 7 7 HIS C C 7 172.577 172.577 172.554 0.023 25913 2272 1 11 . 1 1 7 7 HIS CA C 7 53.492 53.492 52.493 0.999 25913 2273 1 11 . 1 1 7 7 HIS CB C 7 29.133 29.133 29.703 -0.570 25913 2274 1 11 . 1 1 7 7 HIS H H 7 8.489 8.489 7.459 1.030 25913 2275 1 11 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.467 0.079 25913 2276 1 11 . 1 1 8 8 PRO C C 8 177.382 177.382 176.516 0.866 25913 2277 1 11 . 1 1 8 8 PRO CA C 8 63.443 63.443 63.416 0.027 25913 2278 1 11 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.594 -0.217 25913 2279 1 11 . 1 1 9 9 GLY N N 9 110.263 110.263 108.006 2.257 25913 2280 1 11 . 1 1 9 9 GLY C C 9 172.859 172.859 173.335 -0.476 25913 2281 1 11 . 1 1 9 9 GLY CA C 9 45.211 45.211 46.339 -1.128 25913 2282 1 11 . 1 1 9 9 GLY H H 9 8.635 8.635 8.998 -0.363 25913 2283 1 11 . 1 1 10 10 ARG N N 10 121.025 121.025 123.798 -2.773 25913 2284 1 11 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.668 0.114 25913 2285 1 11 . 1 1 10 10 ARG C C 10 175.125 175.125 174.921 0.204 25913 2286 1 11 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.375 -1.019 25913 2287 1 11 . 1 1 10 10 ARG CB C 10 32.982 32.982 28.948 4.034 25913 2288 1 11 . 1 1 10 10 ARG H H 10 8.229 8.229 8.016 0.213 25913 2289 1 11 . 1 1 11 11 TYR N N 11 121.353 121.353 123.712 -2.359 25913 2290 1 11 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.665 -0.337 25913 2291 1 11 . 1 1 11 11 TYR C C 11 174.229 174.229 174.819 -0.590 25913 2292 1 11 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.020 1.028 25913 2293 1 11 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.453 -0.402 25913 2294 1 11 . 1 1 11 11 TYR H H 11 8.692 8.692 9.361 -0.669 25913 2295 1 11 . 1 1 12 12 PHE N N 12 122.456 122.456 122.026 0.430 25913 2296 1 11 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.288 -0.404 25913 2297 1 11 . 1 1 12 12 PHE C C 12 174.224 174.224 174.835 -0.611 25913 2298 1 11 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.471 0.548 25913 2299 1 11 . 1 1 12 12 PHE CB C 12 44.078 44.078 41.975 2.103 25913 2300 1 11 . 1 1 12 12 PHE H H 12 9.415 9.415 8.936 0.479 25913 2301 1 11 . 1 1 13 13 CYS N N 13 128.438 128.438 128.631 -0.193 25913 2302 1 11 . 1 1 13 13 CYS HA H 13 4.653 4.653 4.896 -0.243 25913 2303 1 11 . 1 1 13 13 CYS C C 13 176.686 176.686 175.266 1.420 25913 2304 1 11 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.796 0.532 25913 2305 1 11 . 1 1 13 13 CYS CB C 13 31.220 31.220 27.666 3.554 25913 2306 1 11 . 1 1 13 13 CYS H H 13 7.942 7.942 8.928 -0.987 25913 2307 1 11 . 1 1 14 14 HIS N N 14 126.467 126.467 126.271 0.196 25913 2308 1 11 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.546 -0.223 25913 2309 1 11 . 1 1 14 14 HIS C C 14 175.452 175.452 176.529 -1.077 25913 2310 1 11 . 1 1 14 14 HIS CA C 14 58.736 58.736 57.760 0.977 25913 2311 1 11 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.360 -1.169 25913 2312 1 11 . 1 1 14 14 HIS H H 14 8.971 8.971 9.451 -0.480 25913 2313 1 11 . 1 1 15 15 CYS N N 15 123.882 123.882 118.189 5.693 25913 2314 1 11 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.287 0.155 25913 2315 1 11 . 1 1 15 15 CYS C C 15 176.939 176.939 175.969 0.970 25913 2316 1 11 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.149 0.555 25913 2317 1 11 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.963 -0.622 25913 2318 1 11 . 1 1 15 15 CYS H H 15 9.195 9.195 8.150 1.045 25913 2319 1 11 . 1 1 16 16 CYS N N 16 124.898 124.898 120.662 4.236 25913 2320 1 11 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.549 -0.551 25913 2321 1 11 . 1 1 16 16 CYS C C 16 175.557 175.557 174.691 0.866 25913 2322 1 11 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.358 3.603 25913 2323 1 11 . 1 1 16 16 CYS H H 16 9.794 9.794 8.090 1.704 25913 2324 1 11 . 1 1 17 17 SER N N 17 114.055 114.055 113.645 0.410 25913 2325 1 11 . 1 1 17 17 SER HA H 17 3.755 3.755 4.120 -0.365 25913 2326 1 11 . 1 1 17 17 SER C C 17 173.790 173.790 173.269 0.521 25913 2327 1 11 . 1 1 17 17 SER CA C 17 58.868 58.868 59.597 -0.729 25913 2328 1 11 . 1 1 17 17 SER CB C 17 61.703 61.703 60.416 1.287 25913 2329 1 11 . 1 1 17 17 SER H H 17 7.950 7.950 8.236 -0.286 25913 2330 1 11 . 1 1 18 18 VAL N N 18 111.916 111.916 111.906 0.010 25913 2331 1 11 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.302 0.156 25913 2332 1 11 . 1 1 18 18 VAL C C 18 173.765 173.765 173.574 0.191 25913 2333 1 11 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.090 -0.058 25913 2334 1 11 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.516 1.151 25913 2335 1 11 . 1 1 18 18 VAL H H 18 6.438 6.438 7.025 -0.587 25913 2336 1 11 . 1 1 19 19 GLU N N 19 123.431 123.431 122.135 1.296 25913 2337 1 11 . 1 1 19 19 GLU HA H 19 5.023 5.023 4.989 0.034 25913 2338 1 11 . 1 1 19 19 GLU C C 19 176.506 176.506 176.111 0.395 25913 2339 1 11 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.239 0.579 25913 2340 1 11 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.532 -0.367 25913 2341 1 11 . 1 1 19 19 GLU H H 19 8.346 8.346 8.445 -0.099 25913 2342 1 11 . 1 1 20 20 ILE N N 20 117.751 117.751 120.769 -3.018 25913 2343 1 11 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.736 0.005 25913 2344 1 11 . 1 1 20 20 ILE C C 20 175.511 175.511 173.896 1.615 25913 2345 1 11 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.282 -0.337 25913 2346 1 11 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.786 2.881 25913 2347 1 11 . 1 1 20 20 ILE H H 20 8.537 8.537 9.074 -0.537 25913 2348 1 11 . 1 1 21 21 VAL N N 21 124.220 124.220 122.307 1.913 25913 2349 1 11 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.244 -0.658 25913 2350 1 11 . 1 1 21 21 VAL C C 21 174.640 174.640 174.271 0.369 25913 2351 1 11 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.736 1.982 25913 2352 1 11 . 1 1 21 21 VAL CB C 21 32.503 32.503 33.035 -0.532 25913 2353 1 11 . 1 1 21 21 VAL H H 21 8.203 8.203 8.413 -0.210 25913 2354 1 11 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.600 -0.541 25913 2355 1 11 . 1 1 22 22 PRO C C 22 175.352 175.352 176.077 -0.725 25913 2356 1 11 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.378 0.283 25913 2357 1 11 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.601 -0.587 25913 2358 1 11 . 1 1 23 23 ARG N N 23 121.370 121.370 121.749 -0.379 25913 2359 1 11 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.251 0.004 25913 2360 1 11 . 1 1 23 23 ARG C C 23 175.759 175.759 176.608 -0.849 25913 2361 1 11 . 1 1 23 23 ARG CA C 23 56.052 56.052 55.960 0.092 25913 2362 1 11 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.166 1.720 25913 2363 1 11 . 1 1 23 23 ARG H H 23 8.635 8.635 8.082 0.553 25913 2364 1 11 . 1 1 24 24 LEU N N 24 127.914 127.914 127.177 0.737 25913 2365 1 11 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.843 0.330 25913 2366 1 11 . 1 1 24 24 LEU C C 24 175.774 175.774 176.012 -0.238 25913 2367 1 11 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.493 -5.555 25913 2368 1 11 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.132 2.288 25913 2369 1 11 . 1 1 24 24 LEU H H 24 8.521 8.521 8.702 -0.181 25913 2370 1 11 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.126 0.214 25913 2371 1 11 . 1 1 25 25 PRO C C 25 176.386 176.386 177.204 -0.818 25913 2372 1 11 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.558 -0.891 25913 2373 1 11 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.701 2.975 25913 2374 1 11 . 1 1 26 26 ASP N N 26 122.078 122.078 115.224 6.854 25913 2375 1 11 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.618 -0.231 25913 2376 1 11 . 1 1 26 26 ASP C C 26 175.321 175.321 176.162 -0.841 25913 2377 1 11 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.516 1.839 25913 2378 1 11 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.849 -1.783 25913 2379 1 11 . 1 1 26 26 ASP H H 26 8.752 8.752 7.678 1.074 25913 2380 1 11 . 1 1 27 27 TYR N N 27 117.607 117.607 117.458 0.149 25913 2381 1 11 . 1 1 27 27 TYR HA H 27 3.449 3.449 4.017 -0.568 25913 2382 1 11 . 1 1 27 27 TYR C C 27 173.074 173.074 174.199 -1.125 25913 2383 1 11 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.140 1.297 25913 2384 1 11 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.825 -0.765 25913 2385 1 11 . 1 1 27 27 TYR H H 27 8.666 8.666 8.158 0.508 25913 2386 1 11 . 1 1 28 28 ILE N N 28 111.804 111.804 112.859 -1.055 25913 2387 1 11 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.490 0.285 25913 2388 1 11 . 1 1 28 28 ILE C C 28 175.083 175.083 174.537 0.546 25913 2389 1 11 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.035 -0.466 25913 2390 1 11 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.414 0.693 25913 2391 1 11 . 1 1 28 28 ILE H H 28 6.761 6.761 7.358 -0.597 25913 2392 1 11 . 1 1 29 29 CYS N N 29 126.875 126.875 119.007 7.868 25913 2393 1 11 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.760 -0.352 25913 2394 1 11 . 1 1 29 29 CYS C C 29 175.932 175.932 175.096 0.836 25913 2395 1 11 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.809 0.593 25913 2396 1 11 . 1 1 29 29 CYS CB C 29 32.214 32.214 27.970 4.244 25913 2397 1 11 . 1 1 29 29 CYS H H 29 8.783 8.783 8.730 0.053 25913 2398 1 11 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.446 -0.064 25913 2399 1 11 . 1 1 30 30 PRO C C 30 176.824 176.824 177.452 -0.628 25913 2400 1 11 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.473 -0.433 25913 2401 1 11 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.878 0.467 25913 2402 1 11 . 1 1 31 31 ARG N N 31 124.131 124.131 117.996 6.135 25913 2403 1 11 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.439 -0.138 25913 2404 1 11 . 1 1 31 31 ARG C C 31 177.721 177.721 177.171 0.550 25913 2405 1 11 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.928 0.262 25913 2406 1 11 . 1 1 31 31 ARG CB C 31 31.682 31.682 30.813 0.869 25913 2407 1 11 . 1 1 31 31 ARG H H 31 9.604 9.604 7.669 1.935 25913 2408 1 11 . 1 1 32 32 CYS N N 32 119.758 119.758 114.125 5.633 25913 2409 1 11 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.841 -0.002 25913 2410 1 11 . 1 1 32 32 CYS C C 32 176.450 176.450 174.557 1.893 25913 2411 1 11 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.576 1.134 25913 2412 1 11 . 1 1 32 32 CYS CB C 32 33.230 33.230 28.990 4.240 25913 2413 1 11 . 1 1 32 32 CYS H H 32 8.549 8.549 7.802 0.747 25913 2414 1 11 . 1 1 33 33 GLU N N 33 118.109 118.109 119.565 -1.456 25913 2415 1 11 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.059 0.019 25913 2416 1 11 . 1 1 33 33 GLU C C 33 174.739 174.739 176.036 -1.297 25913 2417 1 11 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.495 1.023 25913 2418 1 11 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.249 -0.557 25913 2419 1 11 . 1 1 33 33 GLU H H 33 7.868 7.868 8.147 -0.279 25913 2420 1 11 . 1 1 34 34 SER N N 34 117.224 117.224 114.903 2.321 25913 2421 1 11 . 1 1 34 34 SER HA H 34 4.437 4.437 4.499 -0.062 25913 2422 1 11 . 1 1 34 34 SER C C 34 175.392 175.392 175.532 -0.140 25913 2423 1 11 . 1 1 34 34 SER CA C 34 59.277 59.277 59.912 -0.635 25913 2424 1 11 . 1 1 34 34 SER CB C 34 65.429 65.429 64.449 0.980 25913 2425 1 11 . 1 1 34 34 SER H H 34 8.786 8.786 8.002 0.784 25913 2426 1 11 . 1 1 35 35 GLY N N 35 111.095 111.095 107.489 3.606 25913 2427 1 11 . 1 1 35 35 GLY C C 35 175.730 175.730 174.350 1.380 25913 2428 1 11 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.610 0.631 25913 2429 1 11 . 1 1 35 35 GLY H H 35 8.511 8.511 8.448 0.063 25913 2430 1 11 . 1 1 36 36 PHE N N 36 126.409 126.409 125.439 0.970 25913 2431 1 11 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.406 0.745 25913 2432 1 11 . 1 1 36 36 PHE C C 36 174.098 174.098 174.359 -0.261 25913 2433 1 11 . 1 1 36 36 PHE CA C 36 55.269 55.269 59.676 -4.407 25913 2434 1 11 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.514 -1.487 25913 2435 1 11 . 1 1 36 36 PHE H H 36 8.850 8.850 7.585 1.265 25913 2436 1 11 . 1 1 37 37 ILE N N 37 117.377 117.377 115.833 1.544 25913 2437 1 11 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.202 0.154 25913 2438 1 11 . 1 1 37 37 ILE C C 37 175.508 175.508 174.790 0.718 25913 2439 1 11 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.536 0.151 25913 2440 1 11 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.563 -1.415 25913 2441 1 11 . 1 1 37 37 ILE H H 37 7.972 7.972 7.874 0.098 25913 2442 1 11 . 1 1 38 38 GLU N N 38 124.869 124.869 122.386 2.483 25913 2443 1 11 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.520 0.365 25913 2444 1 11 . 1 1 38 38 GLU C C 38 174.300 174.300 175.396 -1.096 25913 2445 1 11 . 1 1 38 38 GLU CA C 38 54.656 54.656 53.975 0.681 25913 2446 1 11 . 1 1 38 38 GLU CB C 38 34.589 34.589 31.347 3.242 25913 2447 1 11 . 1 1 38 38 GLU H H 38 9.131 9.131 8.725 0.406 25913 2448 1 11 . 1 1 39 39 GLU N N 39 127.840 127.840 127.224 0.616 25913 2449 1 11 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.090 0.758 25913 2450 1 11 . 1 1 39 39 GLU C C 39 175.507 175.507 175.728 -0.221 25913 2451 1 11 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.592 0.913 25913 2452 1 11 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.584 1.665 25913 2453 1 11 . 1 1 39 39 GLU H H 39 8.844 8.844 8.635 0.209 25913 2454 1 12 . 1 1 0 0 SER HA H 0 4.525 4.525 4.674 -0.149 25913 2455 1 12 . 1 1 0 0 SER C C 0 174.776 174.776 174.430 0.346 25913 2456 1 12 . 1 1 0 0 SER CA C 0 58.364 58.364 58.043 0.321 25913 2457 1 12 . 1 1 0 0 SER CB C 0 64.049 64.049 64.553 -0.504 25913 2458 1 12 . 1 1 1 1 MET N N 1 123.174 123.174 122.243 0.931 25913 2459 1 12 . 1 1 1 1 MET HA H 1 4.486 4.486 4.264 0.222 25913 2460 1 12 . 1 1 1 1 MET C C 1 176.177 176.177 175.755 0.422 25913 2461 1 12 . 1 1 1 1 MET CA C 1 55.804 55.804 55.761 0.043 25913 2462 1 12 . 1 1 1 1 MET CB C 1 32.941 32.941 31.636 1.305 25913 2463 1 12 . 1 1 1 1 MET H H 1 8.592 8.592 8.660 -0.068 25913 2464 1 12 . 1 1 2 2 ALA N N 2 125.785 125.785 121.207 4.578 25913 2465 1 12 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.377 -0.084 25913 2466 1 12 . 1 1 2 2 ALA C C 2 177.812 177.812 178.343 -0.531 25913 2467 1 12 . 1 1 2 2 ALA CA C 2 52.809 52.809 53.032 -0.223 25913 2468 1 12 . 1 1 2 2 ALA CB C 2 19.224 19.224 19.641 -0.417 25913 2469 1 12 . 1 1 2 2 ALA H H 2 8.337 8.337 8.073 0.264 25913 2470 1 12 . 1 1 3 3 GLU N N 3 120.731 120.731 117.778 2.953 25913 2471 1 12 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.444 -0.188 25913 2472 1 12 . 1 1 3 3 GLU C C 3 176.186 176.186 177.598 -1.412 25913 2473 1 12 . 1 1 3 3 GLU CA C 3 56.377 56.377 56.981 -0.604 25913 2474 1 12 . 1 1 3 3 GLU CB C 3 30.549 30.549 30.082 0.467 25913 2475 1 12 . 1 1 3 3 GLU H H 3 8.274 8.274 8.261 0.013 25913 2476 1 12 . 1 1 4 4 ALA N N 4 125.716 125.716 122.466 3.250 25913 2477 1 12 . 1 1 4 4 ALA HA H 4 4.345 4.345 3.988 0.357 25913 2478 1 12 . 1 1 4 4 ALA C C 4 177.530 177.530 177.546 -0.016 25913 2479 1 12 . 1 1 4 4 ALA CA C 4 52.413 52.413 53.708 -1.294 25913 2480 1 12 . 1 1 4 4 ALA CB C 4 19.466 19.466 17.701 1.765 25913 2481 1 12 . 1 1 4 4 ALA H H 4 8.271 8.271 8.164 0.107 25913 2482 1 12 . 1 1 5 5 SER N N 5 117.161 117.161 115.149 2.012 25913 2483 1 12 . 1 1 5 5 SER HA H 5 4.724 4.724 4.238 0.486 25913 2484 1 12 . 1 1 5 5 SER C C 5 172.661 172.661 172.962 -0.301 25913 2485 1 12 . 1 1 5 5 SER CA C 5 56.354 56.354 57.729 -1.375 25913 2486 1 12 . 1 1 5 5 SER CB C 5 63.442 63.442 63.203 0.239 25913 2487 1 12 . 1 1 5 5 SER H H 5 8.259 8.259 8.370 -0.111 25913 2488 1 12 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.690 -0.276 25913 2489 1 12 . 1 1 6 6 PRO C C 6 176.523 176.523 175.704 0.819 25913 2490 1 12 . 1 1 6 6 PRO CA C 6 63.385 63.385 63.177 0.208 25913 2491 1 12 . 1 1 6 6 PRO CB C 6 32.187 32.187 31.832 0.355 25913 2492 1 12 . 1 1 7 7 HIS N N 7 120.170 120.170 118.689 1.481 25913 2493 1 12 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.906 0.074 25913 2494 1 12 . 1 1 7 7 HIS C C 7 172.577 172.577 173.534 -0.957 25913 2495 1 12 . 1 1 7 7 HIS CA C 7 53.492 53.492 52.710 0.782 25913 2496 1 12 . 1 1 7 7 HIS CB C 7 29.133 29.133 30.499 -1.366 25913 2497 1 12 . 1 1 7 7 HIS H H 7 8.489 8.489 7.427 1.062 25913 2498 1 12 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.585 -0.039 25913 2499 1 12 . 1 1 8 8 PRO C C 8 177.382 177.382 175.991 1.391 25913 2500 1 12 . 1 1 8 8 PRO CA C 8 63.443 63.443 62.878 0.565 25913 2501 1 12 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.986 -0.609 25913 2502 1 12 . 1 1 9 9 GLY N N 9 110.263 110.263 108.062 2.201 25913 2503 1 12 . 1 1 9 9 GLY C C 9 172.859 172.859 173.557 -0.698 25913 2504 1 12 . 1 1 9 9 GLY CA C 9 45.211 45.211 46.133 -0.922 25913 2505 1 12 . 1 1 9 9 GLY H H 9 8.635 8.635 8.965 -0.330 25913 2506 1 12 . 1 1 10 10 ARG N N 10 121.025 121.025 123.716 -2.691 25913 2507 1 12 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.589 0.193 25913 2508 1 12 . 1 1 10 10 ARG C C 10 175.125 175.125 174.915 0.210 25913 2509 1 12 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.456 -1.100 25913 2510 1 12 . 1 1 10 10 ARG CB C 10 32.982 32.982 28.870 4.112 25913 2511 1 12 . 1 1 10 10 ARG H H 10 8.229 8.229 7.985 0.244 25913 2512 1 12 . 1 1 11 11 TYR N N 11 121.353 121.353 123.685 -2.332 25913 2513 1 12 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.713 -0.385 25913 2514 1 12 . 1 1 11 11 TYR C C 11 174.229 174.229 174.838 -0.609 25913 2515 1 12 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.099 0.950 25913 2516 1 12 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.486 -0.435 25913 2517 1 12 . 1 1 11 11 TYR H H 11 8.692 8.692 9.266 -0.574 25913 2518 1 12 . 1 1 12 12 PHE N N 12 122.456 122.456 122.006 0.450 25913 2519 1 12 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.348 -0.464 25913 2520 1 12 . 1 1 12 12 PHE C C 12 174.224 174.224 174.800 -0.576 25913 2521 1 12 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.455 0.564 25913 2522 1 12 . 1 1 12 12 PHE CB C 12 44.078 44.078 42.104 1.974 25913 2523 1 12 . 1 1 12 12 PHE H H 12 9.415 9.415 9.051 0.364 25913 2524 1 12 . 1 1 13 13 CYS N N 13 128.438 128.438 128.450 -0.012 25913 2525 1 12 . 1 1 13 13 CYS HA H 13 4.653 4.653 4.969 -0.316 25913 2526 1 12 . 1 1 13 13 CYS C C 13 176.686 176.686 175.311 1.375 25913 2527 1 12 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.702 0.626 25913 2528 1 12 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.064 3.156 25913 2529 1 12 . 1 1 13 13 CYS H H 13 7.942 7.942 8.908 -0.966 25913 2530 1 12 . 1 1 14 14 HIS N N 14 126.467 126.467 125.825 0.642 25913 2531 1 12 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.608 -0.285 25913 2532 1 12 . 1 1 14 14 HIS C C 14 175.452 175.452 176.262 -0.810 25913 2533 1 12 . 1 1 14 14 HIS CA C 14 58.736 58.736 57.954 0.782 25913 2534 1 12 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.649 -1.458 25913 2535 1 12 . 1 1 14 14 HIS H H 14 8.971 8.971 9.471 -0.500 25913 2536 1 12 . 1 1 15 15 CYS N N 15 123.882 123.882 118.171 5.711 25913 2537 1 12 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.306 0.136 25913 2538 1 12 . 1 1 15 15 CYS C C 15 176.939 176.939 176.087 0.852 25913 2539 1 12 . 1 1 15 15 CYS CA C 15 61.704 61.704 60.982 0.722 25913 2540 1 12 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.929 -0.588 25913 2541 1 12 . 1 1 15 15 CYS H H 15 9.195 9.195 8.139 1.056 25913 2542 1 12 . 1 1 16 16 CYS N N 16 124.898 124.898 120.609 4.289 25913 2543 1 12 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.501 -0.503 25913 2544 1 12 . 1 1 16 16 CYS C C 16 175.557 175.557 174.782 0.775 25913 2545 1 12 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.259 3.702 25913 2546 1 12 . 1 1 16 16 CYS H H 16 9.794 9.794 8.113 1.681 25913 2547 1 12 . 1 1 17 17 SER N N 17 114.055 114.055 113.907 0.148 25913 2548 1 12 . 1 1 17 17 SER HA H 17 3.755 3.755 4.113 -0.358 25913 2549 1 12 . 1 1 17 17 SER C C 17 173.790 173.790 173.277 0.513 25913 2550 1 12 . 1 1 17 17 SER CA C 17 58.868 58.868 59.470 -0.602 25913 2551 1 12 . 1 1 17 17 SER CB C 17 61.703 61.703 60.661 1.042 25913 2552 1 12 . 1 1 17 17 SER H H 17 7.950 7.950 8.156 -0.206 25913 2553 1 12 . 1 1 18 18 VAL N N 18 111.916 111.916 112.800 -0.884 25913 2554 1 12 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.297 0.161 25913 2555 1 12 . 1 1 18 18 VAL C C 18 173.765 173.765 173.554 0.211 25913 2556 1 12 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.575 -0.543 25913 2557 1 12 . 1 1 18 18 VAL CB C 18 36.667 36.667 34.811 1.856 25913 2558 1 12 . 1 1 18 18 VAL H H 18 6.438 6.438 6.984 -0.546 25913 2559 1 12 . 1 1 19 19 GLU N N 19 123.431 123.431 121.801 1.630 25913 2560 1 12 . 1 1 19 19 GLU HA H 19 5.023 5.023 5.070 -0.047 25913 2561 1 12 . 1 1 19 19 GLU C C 19 176.506 176.506 175.818 0.688 25913 2562 1 12 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.286 0.532 25913 2563 1 12 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.497 -0.332 25913 2564 1 12 . 1 1 19 19 GLU H H 19 8.346 8.346 8.380 -0.034 25913 2565 1 12 . 1 1 20 20 ILE N N 20 117.751 117.751 120.156 -2.405 25913 2566 1 12 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.714 0.027 25913 2567 1 12 . 1 1 20 20 ILE C C 20 175.511 175.511 173.926 1.585 25913 2568 1 12 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.422 -0.477 25913 2569 1 12 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.487 3.180 25913 2570 1 12 . 1 1 20 20 ILE H H 20 8.537 8.537 8.846 -0.309 25913 2571 1 12 . 1 1 21 21 VAL N N 21 124.220 124.220 122.151 2.069 25913 2572 1 12 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.166 -0.580 25913 2573 1 12 . 1 1 21 21 VAL C C 21 174.640 174.640 174.075 0.565 25913 2574 1 12 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.811 1.907 25913 2575 1 12 . 1 1 21 21 VAL CB C 21 32.503 32.503 32.853 -0.351 25913 2576 1 12 . 1 1 21 21 VAL H H 21 8.203 8.203 8.374 -0.171 25913 2577 1 12 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.693 -0.634 25913 2578 1 12 . 1 1 22 22 PRO C C 22 175.352 175.352 176.133 -0.781 25913 2579 1 12 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.670 -0.010 25913 2580 1 12 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.385 -0.371 25913 2581 1 12 . 1 1 23 23 ARG N N 23 121.370 121.370 122.616 -1.246 25913 2582 1 12 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.219 0.036 25913 2583 1 12 . 1 1 23 23 ARG C C 23 175.759 175.759 176.704 -0.945 25913 2584 1 12 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.049 0.003 25913 2585 1 12 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.224 1.662 25913 2586 1 12 . 1 1 23 23 ARG H H 23 8.635 8.635 8.133 0.502 25913 2587 1 12 . 1 1 24 24 LEU N N 24 127.914 127.914 127.101 0.813 25913 2588 1 12 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.692 0.481 25913 2589 1 12 . 1 1 24 24 LEU C C 24 175.774 175.774 176.009 -0.235 25913 2590 1 12 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.622 -5.684 25913 2591 1 12 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.038 2.382 25913 2592 1 12 . 1 1 24 24 LEU H H 24 8.521 8.521 8.669 -0.148 25913 2593 1 12 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.147 0.193 25913 2594 1 12 . 1 1 25 25 PRO C C 25 176.386 176.386 177.121 -0.735 25913 2595 1 12 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.544 -0.877 25913 2596 1 12 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.720 2.956 25913 2597 1 12 . 1 1 26 26 ASP N N 26 122.078 122.078 114.402 7.676 25913 2598 1 12 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.652 -0.265 25913 2599 1 12 . 1 1 26 26 ASP C C 26 175.321 175.321 175.979 -0.658 25913 2600 1 12 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.401 1.954 25913 2601 1 12 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.841 -1.775 25913 2602 1 12 . 1 1 26 26 ASP H H 26 8.752 8.752 7.786 0.966 25913 2603 1 12 . 1 1 27 27 TYR N N 27 117.607 117.607 118.259 -0.652 25913 2604 1 12 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.955 -0.506 25913 2605 1 12 . 1 1 27 27 TYR C C 27 173.074 173.074 174.375 -1.301 25913 2606 1 12 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.235 1.202 25913 2607 1 12 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.643 -0.583 25913 2608 1 12 . 1 1 27 27 TYR H H 27 8.666 8.666 8.082 0.584 25913 2609 1 12 . 1 1 28 28 ILE N N 28 111.804 111.804 112.469 -0.665 25913 2610 1 12 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.522 0.253 25913 2611 1 12 . 1 1 28 28 ILE C C 28 175.083 175.083 174.741 0.342 25913 2612 1 12 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.696 -1.127 25913 2613 1 12 . 1 1 28 28 ILE CB C 28 42.107 42.107 40.989 1.117 25913 2614 1 12 . 1 1 28 28 ILE H H 28 6.761 6.761 7.250 -0.489 25913 2615 1 12 . 1 1 29 29 CYS N N 29 126.875 126.875 119.005 7.870 25913 2616 1 12 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.762 -0.354 25913 2617 1 12 . 1 1 29 29 CYS C C 29 175.932 175.932 175.070 0.862 25913 2618 1 12 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.814 0.588 25913 2619 1 12 . 1 1 29 29 CYS CB C 29 32.214 32.214 27.980 4.234 25913 2620 1 12 . 1 1 29 29 CYS H H 29 8.783 8.783 8.716 0.067 25913 2621 1 12 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.463 -0.081 25913 2622 1 12 . 1 1 30 30 PRO C C 30 176.824 176.824 177.191 -0.367 25913 2623 1 12 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.333 -0.293 25913 2624 1 12 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.907 0.437 25913 2625 1 12 . 1 1 31 31 ARG N N 31 124.131 124.131 116.794 7.337 25913 2626 1 12 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.404 -0.103 25913 2627 1 12 . 1 1 31 31 ARG C C 31 177.721 177.721 177.137 0.584 25913 2628 1 12 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.199 0.991 25913 2629 1 12 . 1 1 31 31 ARG CB C 31 31.682 31.682 31.316 0.366 25913 2630 1 12 . 1 1 31 31 ARG H H 31 9.604 9.604 7.664 1.940 25913 2631 1 12 . 1 1 32 32 CYS N N 32 119.758 119.758 114.158 5.600 25913 2632 1 12 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.833 0.006 25913 2633 1 12 . 1 1 32 32 CYS C C 32 176.450 176.450 174.291 2.159 25913 2634 1 12 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.691 1.019 25913 2635 1 12 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.554 3.676 25913 2636 1 12 . 1 1 32 32 CYS H H 32 8.549 8.549 7.744 0.805 25913 2637 1 12 . 1 1 33 33 GLU N N 33 118.109 118.109 120.166 -2.057 25913 2638 1 12 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.054 0.024 25913 2639 1 12 . 1 1 33 33 GLU C C 33 174.739 174.739 175.978 -1.239 25913 2640 1 12 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.481 1.037 25913 2641 1 12 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.353 -0.661 25913 2642 1 12 . 1 1 33 33 GLU H H 33 7.868 7.868 8.223 -0.355 25913 2643 1 12 . 1 1 34 34 SER N N 34 117.224 117.224 114.876 2.348 25913 2644 1 12 . 1 1 34 34 SER HA H 34 4.437 4.437 4.532 -0.095 25913 2645 1 12 . 1 1 34 34 SER C C 34 175.392 175.392 175.515 -0.123 25913 2646 1 12 . 1 1 34 34 SER CA C 34 59.277 59.277 59.562 -0.285 25913 2647 1 12 . 1 1 34 34 SER CB C 34 65.429 65.429 64.449 0.980 25913 2648 1 12 . 1 1 34 34 SER H H 34 8.786 8.786 8.100 0.686 25913 2649 1 12 . 1 1 35 35 GLY N N 35 111.095 111.095 107.656 3.439 25913 2650 1 12 . 1 1 35 35 GLY C C 35 175.730 175.730 174.355 1.375 25913 2651 1 12 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.660 0.581 25913 2652 1 12 . 1 1 35 35 GLY H H 35 8.511 8.511 8.506 0.005 25913 2653 1 12 . 1 1 36 36 PHE N N 36 126.409 126.409 125.168 1.241 25913 2654 1 12 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.408 0.743 25913 2655 1 12 . 1 1 36 36 PHE C C 36 174.098 174.098 174.708 -0.610 25913 2656 1 12 . 1 1 36 36 PHE CA C 36 55.269 55.269 58.984 -3.715 25913 2657 1 12 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.577 -1.550 25913 2658 1 12 . 1 1 36 36 PHE H H 36 8.850 8.850 7.677 1.173 25913 2659 1 12 . 1 1 37 37 ILE N N 37 117.377 117.377 115.900 1.477 25913 2660 1 12 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.324 0.032 25913 2661 1 12 . 1 1 37 37 ILE C C 37 175.508 175.508 174.787 0.721 25913 2662 1 12 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.612 0.075 25913 2663 1 12 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.532 -1.384 25913 2664 1 12 . 1 1 37 37 ILE H H 37 7.972 7.972 7.852 0.120 25913 2665 1 12 . 1 1 38 38 GLU N N 38 124.869 124.869 122.852 2.017 25913 2666 1 12 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.562 0.323 25913 2667 1 12 . 1 1 38 38 GLU C C 38 174.300 174.300 175.321 -1.021 25913 2668 1 12 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.890 -0.234 25913 2669 1 12 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.297 2.292 25913 2670 1 12 . 1 1 38 38 GLU H H 38 9.131 9.131 8.863 0.268 25913 2671 1 12 . 1 1 39 39 GLU N N 39 127.840 127.840 126.956 0.884 25913 2672 1 12 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.227 0.621 25913 2673 1 12 . 1 1 39 39 GLU C C 39 175.507 175.507 175.542 -0.035 25913 2674 1 12 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.772 0.733 25913 2675 1 12 . 1 1 39 39 GLU CB C 39 30.249 30.249 29.025 1.224 25913 2676 1 12 . 1 1 39 39 GLU H H 39 8.844 8.844 8.638 0.206 25913 2677 1 13 . 1 1 0 0 SER HA H 0 4.525 4.525 4.357 0.168 25913 2678 1 13 . 1 1 0 0 SER C C 0 174.776 174.776 175.822 -1.046 25913 2679 1 13 . 1 1 0 0 SER CA C 0 58.364 58.364 58.690 -0.326 25913 2680 1 13 . 1 1 0 0 SER CB C 0 64.049 64.049 63.968 0.081 25913 2681 1 13 . 1 1 1 1 MET N N 1 123.174 123.174 120.807 2.367 25913 2682 1 13 . 1 1 1 1 MET HA H 1 4.486 4.486 4.044 0.442 25913 2683 1 13 . 1 1 1 1 MET C C 1 176.177 176.177 175.165 1.012 25913 2684 1 13 . 1 1 1 1 MET CA C 1 55.804 55.804 57.243 -1.439 25913 2685 1 13 . 1 1 1 1 MET CB C 1 32.941 32.941 31.535 1.406 25913 2686 1 13 . 1 1 1 1 MET H H 1 8.592 8.592 8.076 0.516 25913 2687 1 13 . 1 1 2 2 ALA N N 2 125.785 125.785 120.695 5.090 25913 2688 1 13 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.441 -0.148 25913 2689 1 13 . 1 1 2 2 ALA C C 2 177.812 177.812 177.640 0.172 25913 2690 1 13 . 1 1 2 2 ALA CA C 2 52.809 52.809 51.145 1.664 25913 2691 1 13 . 1 1 2 2 ALA CB C 2 19.224 19.224 18.282 0.942 25913 2692 1 13 . 1 1 2 2 ALA H H 2 8.337 8.337 7.680 0.657 25913 2693 1 13 . 1 1 3 3 GLU N N 3 120.731 120.731 121.821 -1.090 25913 2694 1 13 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.103 0.153 25913 2695 1 13 . 1 1 3 3 GLU C C 3 176.186 176.186 176.715 -0.529 25913 2696 1 13 . 1 1 3 3 GLU CA C 3 56.377 56.377 59.129 -2.752 25913 2697 1 13 . 1 1 3 3 GLU CB C 3 30.549 30.549 29.286 1.263 25913 2698 1 13 . 1 1 3 3 GLU H H 3 8.274 8.274 7.835 0.439 25913 2699 1 13 . 1 1 4 4 ALA N N 4 125.716 125.716 121.493 4.223 25913 2700 1 13 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.518 -0.173 25913 2701 1 13 . 1 1 4 4 ALA C C 4 177.530 177.530 176.557 0.973 25913 2702 1 13 . 1 1 4 4 ALA CA C 4 52.413 52.413 52.042 0.371 25913 2703 1 13 . 1 1 4 4 ALA CB C 4 19.466 19.466 18.728 0.738 25913 2704 1 13 . 1 1 4 4 ALA H H 4 8.271 8.271 8.267 0.004 25913 2705 1 13 . 1 1 5 5 SER N N 5 117.161 117.161 114.844 2.317 25913 2706 1 13 . 1 1 5 5 SER HA H 5 4.724 4.724 4.883 -0.159 25913 2707 1 13 . 1 1 5 5 SER C C 5 172.661 172.661 171.782 0.879 25913 2708 1 13 . 1 1 5 5 SER CA C 5 56.354 56.354 56.089 0.265 25913 2709 1 13 . 1 1 5 5 SER CB C 5 63.442 63.442 64.492 -1.050 25913 2710 1 13 . 1 1 5 5 SER H H 5 8.259 8.259 7.740 0.519 25913 2711 1 13 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.410 0.004 25913 2712 1 13 . 1 1 6 6 PRO C C 6 176.523 176.523 175.312 1.211 25913 2713 1 13 . 1 1 6 6 PRO CA C 6 63.385 63.385 63.549 -0.164 25913 2714 1 13 . 1 1 6 6 PRO CB C 6 32.187 32.187 31.863 0.324 25913 2715 1 13 . 1 1 7 7 HIS N N 7 120.170 120.170 121.327 -1.157 25913 2716 1 13 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.940 0.040 25913 2717 1 13 . 1 1 7 7 HIS C C 7 172.577 172.577 173.119 -0.542 25913 2718 1 13 . 1 1 7 7 HIS CA C 7 53.492 53.492 53.284 0.208 25913 2719 1 13 . 1 1 7 7 HIS CB C 7 29.133 29.133 31.335 -2.202 25913 2720 1 13 . 1 1 7 7 HIS H H 7 8.489 8.489 7.656 0.833 25913 2721 1 13 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.729 -0.183 25913 2722 1 13 . 1 1 8 8 PRO C C 8 177.382 177.382 176.374 1.008 25913 2723 1 13 . 1 1 8 8 PRO CA C 8 63.443 63.443 63.115 0.328 25913 2724 1 13 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.859 -0.482 25913 2725 1 13 . 1 1 9 9 GLY N N 9 110.263 110.263 110.939 -0.676 25913 2726 1 13 . 1 1 9 9 GLY C C 9 172.859 172.859 173.488 -0.629 25913 2727 1 13 . 1 1 9 9 GLY CA C 9 45.211 45.211 46.237 -1.026 25913 2728 1 13 . 1 1 9 9 GLY H H 9 8.635 8.635 8.871 -0.236 25913 2729 1 13 . 1 1 10 10 ARG N N 10 121.025 121.025 123.576 -2.551 25913 2730 1 13 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.733 0.049 25913 2731 1 13 . 1 1 10 10 ARG C C 10 175.125 175.125 174.925 0.200 25913 2732 1 13 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.248 -0.892 25913 2733 1 13 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.125 3.857 25913 2734 1 13 . 1 1 10 10 ARG H H 10 8.229 8.229 8.112 0.117 25913 2735 1 13 . 1 1 11 11 TYR N N 11 121.353 121.353 123.745 -2.392 25913 2736 1 13 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.681 -0.353 25913 2737 1 13 . 1 1 11 11 TYR C C 11 174.229 174.229 174.724 -0.495 25913 2738 1 13 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.125 0.924 25913 2739 1 13 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.513 -0.462 25913 2740 1 13 . 1 1 11 11 TYR H H 11 8.692 8.692 9.390 -0.698 25913 2741 1 13 . 1 1 12 12 PHE N N 12 122.456 122.456 122.044 0.412 25913 2742 1 13 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.339 -0.455 25913 2743 1 13 . 1 1 12 12 PHE C C 12 174.224 174.224 174.730 -0.506 25913 2744 1 13 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.412 0.607 25913 2745 1 13 . 1 1 12 12 PHE CB C 12 44.078 44.078 42.044 2.034 25913 2746 1 13 . 1 1 12 12 PHE H H 12 9.415 9.415 9.083 0.332 25913 2747 1 13 . 1 1 13 13 CYS N N 13 128.438 128.438 128.378 0.060 25913 2748 1 13 . 1 1 13 13 CYS HA H 13 4.653 4.653 5.043 -0.390 25913 2749 1 13 . 1 1 13 13 CYS C C 13 176.686 176.686 175.299 1.387 25913 2750 1 13 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.624 0.704 25913 2751 1 13 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.328 2.892 25913 2752 1 13 . 1 1 13 13 CYS H H 13 7.942 7.942 8.923 -0.981 25913 2753 1 13 . 1 1 14 14 HIS N N 14 126.467 126.467 125.550 0.917 25913 2754 1 13 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.609 -0.286 25913 2755 1 13 . 1 1 14 14 HIS C C 14 175.452 175.452 176.429 -0.977 25913 2756 1 13 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.122 0.614 25913 2757 1 13 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.667 -1.476 25913 2758 1 13 . 1 1 14 14 HIS H H 14 8.971 8.971 9.565 -0.594 25913 2759 1 13 . 1 1 15 15 CYS N N 15 123.882 123.882 118.054 5.828 25913 2760 1 13 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.270 0.172 25913 2761 1 13 . 1 1 15 15 CYS C C 15 176.939 176.939 175.938 1.001 25913 2762 1 13 . 1 1 15 15 CYS CA C 15 61.704 61.704 62.006 -0.302 25913 2763 1 13 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.712 -0.371 25913 2764 1 13 . 1 1 15 15 CYS H H 15 9.195 9.195 8.327 0.868 25913 2765 1 13 . 1 1 16 16 CYS N N 16 124.898 124.898 119.018 5.880 25913 2766 1 13 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.539 -0.541 25913 2767 1 13 . 1 1 16 16 CYS C C 16 175.557 175.557 174.673 0.884 25913 2768 1 13 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.567 3.394 25913 2769 1 13 . 1 1 16 16 CYS H H 16 9.794 9.794 8.147 1.647 25913 2770 1 13 . 1 1 17 17 SER N N 17 114.055 114.055 113.846 0.209 25913 2771 1 13 . 1 1 17 17 SER HA H 17 3.755 3.755 4.071 -0.316 25913 2772 1 13 . 1 1 17 17 SER C C 17 173.790 173.790 173.267 0.523 25913 2773 1 13 . 1 1 17 17 SER CA C 17 58.868 58.868 59.457 -0.589 25913 2774 1 13 . 1 1 17 17 SER CB C 17 61.703 61.703 60.445 1.258 25913 2775 1 13 . 1 1 17 17 SER H H 17 7.950 7.950 7.970 -0.020 25913 2776 1 13 . 1 1 18 18 VAL N N 18 111.916 111.916 111.883 0.033 25913 2777 1 13 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.304 0.154 25913 2778 1 13 . 1 1 18 18 VAL C C 18 173.765 173.765 173.616 0.149 25913 2779 1 13 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.059 -0.027 25913 2780 1 13 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.464 1.203 25913 2781 1 13 . 1 1 18 18 VAL H H 18 6.438 6.438 6.986 -0.548 25913 2782 1 13 . 1 1 19 19 GLU N N 19 123.431 123.431 122.130 1.301 25913 2783 1 13 . 1 1 19 19 GLU HA H 19 5.023 5.023 4.994 0.029 25913 2784 1 13 . 1 1 19 19 GLU C C 19 176.506 176.506 175.806 0.700 25913 2785 1 13 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.539 0.279 25913 2786 1 13 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.524 -0.359 25913 2787 1 13 . 1 1 19 19 GLU H H 19 8.346 8.346 8.403 -0.057 25913 2788 1 13 . 1 1 20 20 ILE N N 20 117.751 117.751 120.182 -2.431 25913 2789 1 13 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.753 -0.012 25913 2790 1 13 . 1 1 20 20 ILE C C 20 175.511 175.511 173.925 1.586 25913 2791 1 13 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.353 -0.408 25913 2792 1 13 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.601 3.066 25913 2793 1 13 . 1 1 20 20 ILE H H 20 8.537 8.537 8.837 -0.300 25913 2794 1 13 . 1 1 21 21 VAL N N 21 124.220 124.220 121.422 2.798 25913 2795 1 13 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.240 -0.654 25913 2796 1 13 . 1 1 21 21 VAL C C 21 174.640 174.640 174.102 0.538 25913 2797 1 13 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.827 1.891 25913 2798 1 13 . 1 1 21 21 VAL CB C 21 32.503 32.503 34.123 -1.620 25913 2799 1 13 . 1 1 21 21 VAL H H 21 8.203 8.203 8.352 -0.149 25913 2800 1 13 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.670 -0.611 25913 2801 1 13 . 1 1 22 22 PRO C C 22 175.352 175.352 176.097 -0.745 25913 2802 1 13 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.683 -0.022 25913 2803 1 13 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.277 -0.263 25913 2804 1 13 . 1 1 23 23 ARG N N 23 121.370 121.370 122.843 -1.473 25913 2805 1 13 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.184 0.071 25913 2806 1 13 . 1 1 23 23 ARG C C 23 175.759 175.759 176.788 -1.029 25913 2807 1 13 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.144 -0.092 25913 2808 1 13 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.184 1.702 25913 2809 1 13 . 1 1 23 23 ARG H H 23 8.635 8.635 8.152 0.483 25913 2810 1 13 . 1 1 24 24 LEU N N 24 127.914 127.914 127.258 0.656 25913 2811 1 13 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.677 0.496 25913 2812 1 13 . 1 1 24 24 LEU C C 24 175.774 175.774 175.943 -0.169 25913 2813 1 13 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.542 -5.604 25913 2814 1 13 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.154 2.266 25913 2815 1 13 . 1 1 24 24 LEU H H 24 8.521 8.521 8.563 -0.042 25913 2816 1 13 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.177 0.163 25913 2817 1 13 . 1 1 25 25 PRO C C 25 176.386 176.386 176.840 -0.454 25913 2818 1 13 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.529 -0.862 25913 2819 1 13 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.820 2.856 25913 2820 1 13 . 1 1 26 26 ASP N N 26 122.078 122.078 115.017 7.061 25913 2821 1 13 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.736 -0.349 25913 2822 1 13 . 1 1 26 26 ASP C C 26 175.321 175.321 175.565 -0.244 25913 2823 1 13 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.138 2.217 25913 2824 1 13 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.828 -1.762 25913 2825 1 13 . 1 1 26 26 ASP H H 26 8.752 8.752 7.697 1.055 25913 2826 1 13 . 1 1 27 27 TYR N N 27 117.607 117.607 116.757 0.850 25913 2827 1 13 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.983 -0.534 25913 2828 1 13 . 1 1 27 27 TYR C C 27 173.074 173.074 174.427 -1.353 25913 2829 1 13 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.364 1.073 25913 2830 1 13 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.731 -0.671 25913 2831 1 13 . 1 1 27 27 TYR H H 27 8.666 8.666 8.039 0.627 25913 2832 1 13 . 1 1 28 28 ILE N N 28 111.804 111.804 113.019 -1.215 25913 2833 1 13 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.427 0.348 25913 2834 1 13 . 1 1 28 28 ILE C C 28 175.083 175.083 174.809 0.274 25913 2835 1 13 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.251 -0.682 25913 2836 1 13 . 1 1 28 28 ILE CB C 28 42.107 42.107 40.944 1.163 25913 2837 1 13 . 1 1 28 28 ILE H H 28 6.761 6.761 7.279 -0.518 25913 2838 1 13 . 1 1 29 29 CYS N N 29 126.875 126.875 118.837 8.038 25913 2839 1 13 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.750 -0.342 25913 2840 1 13 . 1 1 29 29 CYS C C 29 175.932 175.932 174.979 0.953 25913 2841 1 13 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.931 0.471 25913 2842 1 13 . 1 1 29 29 CYS CB C 29 32.214 32.214 28.024 4.190 25913 2843 1 13 . 1 1 29 29 CYS H H 29 8.783 8.783 8.717 0.066 25913 2844 1 13 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.499 -0.117 25913 2845 1 13 . 1 1 30 30 PRO C C 30 176.824 176.824 177.038 -0.214 25913 2846 1 13 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.216 -0.176 25913 2847 1 13 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.835 0.509 25913 2848 1 13 . 1 1 31 31 ARG N N 31 124.131 124.131 117.483 6.648 25913 2849 1 13 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.445 -0.144 25913 2850 1 13 . 1 1 31 31 ARG C C 31 177.721 177.721 176.996 0.725 25913 2851 1 13 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.761 0.429 25913 2852 1 13 . 1 1 31 31 ARG CB C 31 31.682 31.682 31.010 0.672 25913 2853 1 13 . 1 1 31 31 ARG H H 31 9.604 9.604 7.880 1.724 25913 2854 1 13 . 1 1 32 32 CYS N N 32 119.758 119.758 112.472 7.286 25913 2855 1 13 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.900 -0.061 25913 2856 1 13 . 1 1 32 32 CYS C C 32 176.450 176.450 174.004 2.446 25913 2857 1 13 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.320 1.390 25913 2858 1 13 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.582 3.648 25913 2859 1 13 . 1 1 32 32 CYS H H 32 8.549 8.549 7.582 0.967 25913 2860 1 13 . 1 1 33 33 GLU N N 33 118.109 118.109 119.897 -1.788 25913 2861 1 13 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.056 0.022 25913 2862 1 13 . 1 1 33 33 GLU C C 33 174.739 174.739 176.039 -1.300 25913 2863 1 13 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.585 0.933 25913 2864 1 13 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.302 -0.610 25913 2865 1 13 . 1 1 33 33 GLU H H 33 7.868 7.868 8.259 -0.391 25913 2866 1 13 . 1 1 34 34 SER N N 34 117.224 117.224 114.925 2.299 25913 2867 1 13 . 1 1 34 34 SER HA H 34 4.437 4.437 4.521 -0.084 25913 2868 1 13 . 1 1 34 34 SER C C 34 175.392 175.392 175.529 -0.137 25913 2869 1 13 . 1 1 34 34 SER CA C 34 59.277 59.277 59.651 -0.374 25913 2870 1 13 . 1 1 34 34 SER CB C 34 65.429 65.429 64.525 0.904 25913 2871 1 13 . 1 1 34 34 SER H H 34 8.786 8.786 7.944 0.842 25913 2872 1 13 . 1 1 35 35 GLY N N 35 111.095 111.095 107.700 3.395 25913 2873 1 13 . 1 1 35 35 GLY C C 35 175.730 175.730 174.352 1.378 25913 2874 1 13 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.636 0.605 25913 2875 1 13 . 1 1 35 35 GLY H H 35 8.511 8.511 8.489 0.022 25913 2876 1 13 . 1 1 36 36 PHE N N 36 126.409 126.409 124.982 1.427 25913 2877 1 13 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.440 0.711 25913 2878 1 13 . 1 1 36 36 PHE C C 36 174.098 174.098 174.657 -0.559 25913 2879 1 13 . 1 1 36 36 PHE CA C 36 55.269 55.269 58.952 -3.683 25913 2880 1 13 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.528 -1.501 25913 2881 1 13 . 1 1 36 36 PHE H H 36 8.850 8.850 7.646 1.204 25913 2882 1 13 . 1 1 37 37 ILE N N 37 117.377 117.377 115.760 1.617 25913 2883 1 13 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.436 -0.080 25913 2884 1 13 . 1 1 37 37 ILE C C 37 175.508 175.508 174.881 0.627 25913 2885 1 13 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.675 0.012 25913 2886 1 13 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.550 -1.402 25913 2887 1 13 . 1 1 37 37 ILE H H 37 7.972 7.972 7.939 0.034 25913 2888 1 13 . 1 1 38 38 GLU N N 38 124.869 124.869 123.201 1.668 25913 2889 1 13 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.615 0.270 25913 2890 1 13 . 1 1 38 38 GLU C C 38 174.300 174.300 175.372 -1.072 25913 2891 1 13 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.906 -0.250 25913 2892 1 13 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.392 2.197 25913 2893 1 13 . 1 1 38 38 GLU H H 38 9.131 9.131 8.937 0.194 25913 2894 1 13 . 1 1 39 39 GLU N N 39 127.840 127.840 126.889 0.951 25913 2895 1 13 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.196 0.652 25913 2896 1 13 . 1 1 39 39 GLU C C 39 175.507 175.507 175.621 -0.114 25913 2897 1 13 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.803 0.702 25913 2898 1 13 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.966 1.282 25913 2899 1 13 . 1 1 39 39 GLU H H 39 8.844 8.844 8.652 0.192 25913 2900 1 14 . 1 1 0 0 SER HA H 0 4.525 4.525 4.308 0.217 25913 2901 1 14 . 1 1 0 0 SER C C 0 174.776 174.776 175.346 -0.570 25913 2902 1 14 . 1 1 0 0 SER CA C 0 58.364 58.364 58.524 -0.160 25913 2903 1 14 . 1 1 0 0 SER CB C 0 64.049 64.049 63.114 0.935 25913 2904 1 14 . 1 1 1 1 MET N N 1 123.174 123.174 119.595 3.579 25913 2905 1 14 . 1 1 1 1 MET HA H 1 4.486 4.486 4.429 0.057 25913 2906 1 14 . 1 1 1 1 MET C C 1 176.177 176.177 176.570 -0.393 25913 2907 1 14 . 1 1 1 1 MET CA C 1 55.804 55.804 56.867 -1.063 25913 2908 1 14 . 1 1 1 1 MET CB C 1 32.941 32.941 32.839 0.103 25913 2909 1 14 . 1 1 1 1 MET H H 1 8.592 8.592 7.930 0.662 25913 2910 1 14 . 1 1 2 2 ALA N N 2 125.785 125.785 121.329 4.456 25913 2911 1 14 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.342 -0.049 25913 2912 1 14 . 1 1 2 2 ALA C C 2 177.812 177.812 177.131 0.681 25913 2913 1 14 . 1 1 2 2 ALA CA C 2 52.809 52.809 52.600 0.209 25913 2914 1 14 . 1 1 2 2 ALA CB C 2 19.224 19.224 18.889 0.336 25913 2915 1 14 . 1 1 2 2 ALA H H 2 8.337 8.337 7.758 0.579 25913 2916 1 14 . 1 1 3 3 GLU N N 3 120.731 120.731 117.803 2.928 25913 2917 1 14 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.051 0.205 25913 2918 1 14 . 1 1 3 3 GLU C C 3 176.186 176.186 175.303 0.883 25913 2919 1 14 . 1 1 3 3 GLU CA C 3 56.377 56.377 56.242 0.135 25913 2920 1 14 . 1 1 3 3 GLU CB C 3 30.549 30.549 27.796 2.753 25913 2921 1 14 . 1 1 3 3 GLU H H 3 8.274 8.274 8.253 0.021 25913 2922 1 14 . 1 1 4 4 ALA N N 4 125.716 125.716 121.898 3.818 25913 2923 1 14 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.098 0.247 25913 2924 1 14 . 1 1 4 4 ALA C C 4 177.530 177.530 175.859 1.671 25913 2925 1 14 . 1 1 4 4 ALA CA C 4 52.413 52.413 52.525 -0.112 25913 2926 1 14 . 1 1 4 4 ALA CB C 4 19.466 19.466 18.875 0.591 25913 2927 1 14 . 1 1 4 4 ALA H H 4 8.271 8.271 7.896 0.375 25913 2928 1 14 . 1 1 5 5 SER N N 5 117.161 117.161 115.363 1.798 25913 2929 1 14 . 1 1 5 5 SER HA H 5 4.724 4.724 4.690 0.034 25913 2930 1 14 . 1 1 5 5 SER C C 5 172.661 172.661 172.844 -0.183 25913 2931 1 14 . 1 1 5 5 SER CA C 5 56.354 56.354 57.172 -0.818 25913 2932 1 14 . 1 1 5 5 SER CB C 5 63.442 63.442 63.739 -0.297 25913 2933 1 14 . 1 1 5 5 SER H H 5 8.259 8.259 8.431 -0.172 25913 2934 1 14 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.585 -0.171 25913 2935 1 14 . 1 1 6 6 PRO C C 6 176.523 176.523 175.326 1.197 25913 2936 1 14 . 1 1 6 6 PRO CA C 6 63.385 63.385 63.568 -0.183 25913 2937 1 14 . 1 1 6 6 PRO CB C 6 32.187 32.187 32.211 -0.024 25913 2938 1 14 . 1 1 7 7 HIS N N 7 120.170 120.170 111.135 9.035 25913 2939 1 14 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.970 0.010 25913 2940 1 14 . 1 1 7 7 HIS C C 7 172.577 172.577 173.199 -0.622 25913 2941 1 14 . 1 1 7 7 HIS CA C 7 53.492 53.492 54.652 -1.160 25913 2942 1 14 . 1 1 7 7 HIS CB C 7 29.133 29.133 29.853 -0.720 25913 2943 1 14 . 1 1 7 7 HIS H H 7 8.489 8.489 7.132 1.357 25913 2944 1 14 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.624 -0.078 25913 2945 1 14 . 1 1 8 8 PRO C C 8 177.382 177.382 177.089 0.293 25913 2946 1 14 . 1 1 8 8 PRO CA C 8 63.443 63.443 63.401 0.042 25913 2947 1 14 . 1 1 8 8 PRO CB C 8 32.377 32.377 33.212 -0.835 25913 2948 1 14 . 1 1 9 9 GLY N N 9 110.263 110.263 105.599 4.664 25913 2949 1 14 . 1 1 9 9 GLY C C 9 172.859 172.859 173.280 -0.421 25913 2950 1 14 . 1 1 9 9 GLY CA C 9 45.211 45.211 45.036 0.175 25913 2951 1 14 . 1 1 9 9 GLY H H 9 8.635 8.635 8.276 0.359 25913 2952 1 14 . 1 1 10 10 ARG N N 10 121.025 121.025 123.191 -2.166 25913 2953 1 14 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.594 0.188 25913 2954 1 14 . 1 1 10 10 ARG C C 10 175.125 175.125 174.895 0.230 25913 2955 1 14 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.522 -1.166 25913 2956 1 14 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.826 3.156 25913 2957 1 14 . 1 1 10 10 ARG H H 10 8.229 8.229 8.029 0.200 25913 2958 1 14 . 1 1 11 11 TYR N N 11 121.353 121.353 123.496 -2.143 25913 2959 1 14 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.714 -0.386 25913 2960 1 14 . 1 1 11 11 TYR C C 11 174.229 174.229 174.598 -0.369 25913 2961 1 14 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.154 0.895 25913 2962 1 14 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.809 -0.758 25913 2963 1 14 . 1 1 11 11 TYR H H 11 8.692 8.692 9.327 -0.635 25913 2964 1 14 . 1 1 12 12 PHE N N 12 122.456 122.456 122.153 0.303 25913 2965 1 14 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.336 -0.452 25913 2966 1 14 . 1 1 12 12 PHE C C 12 174.224 174.224 174.713 -0.489 25913 2967 1 14 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.420 0.599 25913 2968 1 14 . 1 1 12 12 PHE CB C 12 44.078 44.078 42.047 2.031 25913 2969 1 14 . 1 1 12 12 PHE H H 12 9.415 9.415 8.975 0.440 25913 2970 1 14 . 1 1 13 13 CYS N N 13 128.438 128.438 128.340 0.098 25913 2971 1 14 . 1 1 13 13 CYS HA H 13 4.653 4.653 5.070 -0.417 25913 2972 1 14 . 1 1 13 13 CYS C C 13 176.686 176.686 175.166 1.520 25913 2973 1 14 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.512 0.816 25913 2974 1 14 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.557 2.663 25913 2975 1 14 . 1 1 13 13 CYS H H 13 7.942 7.942 8.886 -0.944 25913 2976 1 14 . 1 1 14 14 HIS N N 14 126.467 126.467 125.760 0.707 25913 2977 1 14 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.661 -0.338 25913 2978 1 14 . 1 1 14 14 HIS C C 14 175.452 175.452 176.121 -0.669 25913 2979 1 14 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.192 0.544 25913 2980 1 14 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.831 -1.640 25913 2981 1 14 . 1 1 14 14 HIS H H 14 8.971 8.971 9.513 -0.542 25913 2982 1 14 . 1 1 15 15 CYS N N 15 123.882 123.882 118.323 5.559 25913 2983 1 14 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.339 0.103 25913 2984 1 14 . 1 1 15 15 CYS C C 15 176.939 176.939 175.953 0.986 25913 2985 1 14 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.445 0.259 25913 2986 1 14 . 1 1 15 15 CYS CB C 15 28.341 28.341 29.125 -0.784 25913 2987 1 14 . 1 1 15 15 CYS H H 15 9.195 9.195 8.125 1.070 25913 2988 1 14 . 1 1 16 16 CYS N N 16 124.898 124.898 121.026 3.872 25913 2989 1 14 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.569 -0.571 25913 2990 1 14 . 1 1 16 16 CYS C C 16 175.557 175.557 174.528 1.029 25913 2991 1 14 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.359 3.602 25913 2992 1 14 . 1 1 16 16 CYS H H 16 9.794 9.794 8.002 1.792 25913 2993 1 14 . 1 1 17 17 SER N N 17 114.055 114.055 113.895 0.160 25913 2994 1 14 . 1 1 17 17 SER HA H 17 3.755 3.755 4.006 -0.251 25913 2995 1 14 . 1 1 17 17 SER C C 17 173.790 173.790 173.221 0.569 25913 2996 1 14 . 1 1 17 17 SER CA C 17 58.868 58.868 59.511 -0.643 25913 2997 1 14 . 1 1 17 17 SER CB C 17 61.703 61.703 60.409 1.294 25913 2998 1 14 . 1 1 17 17 SER H H 17 7.950 7.950 8.107 -0.157 25913 2999 1 14 . 1 1 18 18 VAL N N 18 111.916 111.916 111.918 -0.002 25913 3000 1 14 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.301 0.157 25913 3001 1 14 . 1 1 18 18 VAL C C 18 173.765 173.765 173.628 0.137 25913 3002 1 14 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.060 -0.028 25913 3003 1 14 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.422 1.245 25913 3004 1 14 . 1 1 18 18 VAL H H 18 6.438 6.438 6.948 -0.510 25913 3005 1 14 . 1 1 19 19 GLU N N 19 123.431 123.431 121.991 1.440 25913 3006 1 14 . 1 1 19 19 GLU HA H 19 5.023 5.023 5.048 -0.025 25913 3007 1 14 . 1 1 19 19 GLU C C 19 176.506 176.506 176.228 0.278 25913 3008 1 14 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.349 0.469 25913 3009 1 14 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.483 -0.318 25913 3010 1 14 . 1 1 19 19 GLU H H 19 8.346 8.346 8.449 -0.103 25913 3011 1 14 . 1 1 20 20 ILE N N 20 117.751 117.751 121.193 -3.442 25913 3012 1 14 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.774 -0.033 25913 3013 1 14 . 1 1 20 20 ILE C C 20 175.511 175.511 173.828 1.683 25913 3014 1 14 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.389 -0.444 25913 3015 1 14 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.738 2.929 25913 3016 1 14 . 1 1 20 20 ILE H H 20 8.537 8.537 8.841 -0.304 25913 3017 1 14 . 1 1 21 21 VAL N N 21 124.220 124.220 121.575 2.645 25913 3018 1 14 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.221 -0.635 25913 3019 1 14 . 1 1 21 21 VAL C C 21 174.640 174.640 174.158 0.482 25913 3020 1 14 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.970 1.748 25913 3021 1 14 . 1 1 21 21 VAL CB C 21 32.503 32.503 34.177 -1.674 25913 3022 1 14 . 1 1 21 21 VAL H H 21 8.203 8.203 8.311 -0.108 25913 3023 1 14 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.606 -0.547 25913 3024 1 14 . 1 1 22 22 PRO C C 22 175.352 175.352 176.130 -0.778 25913 3025 1 14 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.587 0.074 25913 3026 1 14 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.358 -0.344 25913 3027 1 14 . 1 1 23 23 ARG N N 23 121.370 121.370 123.440 -2.070 25913 3028 1 14 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.122 0.133 25913 3029 1 14 . 1 1 23 23 ARG C C 23 175.759 175.759 176.703 -0.944 25913 3030 1 14 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.271 -0.219 25913 3031 1 14 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.184 1.702 25913 3032 1 14 . 1 1 23 23 ARG H H 23 8.635 8.635 8.095 0.540 25913 3033 1 14 . 1 1 24 24 LEU N N 24 127.914 127.914 128.475 -0.561 25913 3034 1 14 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.741 0.432 25913 3035 1 14 . 1 1 24 24 LEU C C 24 175.774 175.774 175.824 -0.050 25913 3036 1 14 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.233 -5.295 25913 3037 1 14 . 1 1 24 24 LEU CB C 24 41.420 41.420 38.871 2.549 25913 3038 1 14 . 1 1 24 24 LEU H H 24 8.521 8.521 8.668 -0.147 25913 3039 1 14 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.128 0.212 25913 3040 1 14 . 1 1 25 25 PRO C C 25 176.386 176.386 176.763 -0.377 25913 3041 1 14 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.445 -0.778 25913 3042 1 14 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.775 2.901 25913 3043 1 14 . 1 1 26 26 ASP N N 26 122.078 122.078 115.315 6.763 25913 3044 1 14 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.689 -0.302 25913 3045 1 14 . 1 1 26 26 ASP C C 26 175.321 175.321 175.598 -0.277 25913 3046 1 14 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.184 2.171 25913 3047 1 14 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.610 -1.544 25913 3048 1 14 . 1 1 26 26 ASP H H 26 8.752 8.752 7.562 1.190 25913 3049 1 14 . 1 1 27 27 TYR N N 27 117.607 117.607 116.859 0.748 25913 3050 1 14 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.967 -0.518 25913 3051 1 14 . 1 1 27 27 TYR C C 27 173.074 173.074 174.335 -1.261 25913 3052 1 14 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.273 1.164 25913 3053 1 14 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.652 -0.592 25913 3054 1 14 . 1 1 27 27 TYR H H 27 8.666 8.666 7.965 0.701 25913 3055 1 14 . 1 1 28 28 ILE N N 28 111.804 111.804 112.597 -0.793 25913 3056 1 14 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.475 0.300 25913 3057 1 14 . 1 1 28 28 ILE C C 28 175.083 175.083 174.418 0.665 25913 3058 1 14 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.057 -0.488 25913 3059 1 14 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.357 0.750 25913 3060 1 14 . 1 1 28 28 ILE H H 28 6.761 6.761 7.294 -0.533 25913 3061 1 14 . 1 1 29 29 CYS N N 29 126.875 126.875 118.670 8.205 25913 3062 1 14 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.775 -0.367 25913 3063 1 14 . 1 1 29 29 CYS C C 29 175.932 175.932 175.149 0.783 25913 3064 1 14 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.749 0.653 25913 3065 1 14 . 1 1 29 29 CYS CB C 29 32.214 32.214 28.047 4.167 25913 3066 1 14 . 1 1 29 29 CYS H H 29 8.783 8.783 8.685 0.098 25913 3067 1 14 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.422 -0.040 25913 3068 1 14 . 1 1 30 30 PRO C C 30 176.824 176.824 177.514 -0.690 25913 3069 1 14 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.549 -0.509 25913 3070 1 14 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.941 0.403 25913 3071 1 14 . 1 1 31 31 ARG N N 31 124.131 124.131 117.034 7.097 25913 3072 1 14 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.427 -0.126 25913 3073 1 14 . 1 1 31 31 ARG C C 31 177.721 177.721 177.120 0.601 25913 3074 1 14 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.802 0.388 25913 3075 1 14 . 1 1 31 31 ARG CB C 31 31.682 31.682 30.910 0.772 25913 3076 1 14 . 1 1 31 31 ARG H H 31 9.604 9.604 7.700 1.904 25913 3077 1 14 . 1 1 32 32 CYS N N 32 119.758 119.758 113.760 5.998 25913 3078 1 14 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.842 -0.003 25913 3079 1 14 . 1 1 32 32 CYS C C 32 176.450 176.450 174.486 1.964 25913 3080 1 14 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.567 1.143 25913 3081 1 14 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.437 3.793 25913 3082 1 14 . 1 1 32 32 CYS H H 32 8.549 8.549 7.740 0.809 25913 3083 1 14 . 1 1 33 33 GLU N N 33 118.109 118.109 120.137 -2.028 25913 3084 1 14 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.026 0.052 25913 3085 1 14 . 1 1 33 33 GLU C C 33 174.739 174.739 176.031 -1.292 25913 3086 1 14 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.529 0.989 25913 3087 1 14 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.269 -0.577 25913 3088 1 14 . 1 1 33 33 GLU H H 33 7.868 7.868 8.237 -0.369 25913 3089 1 14 . 1 1 34 34 SER N N 34 117.224 117.224 114.968 2.256 25913 3090 1 14 . 1 1 34 34 SER HA H 34 4.437 4.437 4.490 -0.053 25913 3091 1 14 . 1 1 34 34 SER C C 34 175.392 175.392 175.631 -0.239 25913 3092 1 14 . 1 1 34 34 SER CA C 34 59.277 59.277 60.062 -0.785 25913 3093 1 14 . 1 1 34 34 SER CB C 34 65.429 65.429 64.372 1.057 25913 3094 1 14 . 1 1 34 34 SER H H 34 8.786 8.786 8.061 0.725 25913 3095 1 14 . 1 1 35 35 GLY N N 35 111.095 111.095 107.861 3.234 25913 3096 1 14 . 1 1 35 35 GLY C C 35 175.730 175.730 174.629 1.101 25913 3097 1 14 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.659 0.582 25913 3098 1 14 . 1 1 35 35 GLY H H 35 8.511 8.511 8.421 0.090 25913 3099 1 14 . 1 1 36 36 PHE N N 36 126.409 126.409 125.229 1.180 25913 3100 1 14 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.472 0.679 25913 3101 1 14 . 1 1 36 36 PHE C C 36 174.098 174.098 174.706 -0.608 25913 3102 1 14 . 1 1 36 36 PHE CA C 36 55.269 55.269 58.972 -3.704 25913 3103 1 14 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.486 -1.459 25913 3104 1 14 . 1 1 36 36 PHE H H 36 8.850 8.850 7.774 1.076 25913 3105 1 14 . 1 1 37 37 ILE N N 37 117.377 117.377 115.727 1.650 25913 3106 1 14 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.478 -0.122 25913 3107 1 14 . 1 1 37 37 ILE C C 37 175.508 175.508 174.936 0.572 25913 3108 1 14 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.629 0.058 25913 3109 1 14 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.553 -1.405 25913 3110 1 14 . 1 1 37 37 ILE H H 37 7.972 7.972 7.923 0.049 25913 3111 1 14 . 1 1 38 38 GLU N N 38 124.869 124.869 123.051 1.818 25913 3112 1 14 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.601 0.284 25913 3113 1 14 . 1 1 38 38 GLU C C 38 174.300 174.300 175.290 -0.990 25913 3114 1 14 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.930 -0.274 25913 3115 1 14 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.308 2.281 25913 3116 1 14 . 1 1 38 38 GLU H H 38 9.131 9.131 8.855 0.276 25913 3117 1 14 . 1 1 39 39 GLU N N 39 127.840 127.840 127.113 0.727 25913 3118 1 14 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.408 0.440 25913 3119 1 14 . 1 1 39 39 GLU C C 39 175.507 175.507 175.684 -0.177 25913 3120 1 14 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.577 0.928 25913 3121 1 14 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.984 1.265 25913 3122 1 14 . 1 1 39 39 GLU H H 39 8.844 8.844 8.614 0.230 25913 3123 1 15 . 1 1 0 0 SER HA H 0 4.525 4.525 4.471 0.054 25913 3124 1 15 . 1 1 0 0 SER C C 0 174.776 174.776 174.664 0.112 25913 3125 1 15 . 1 1 0 0 SER CA C 0 58.364 58.364 58.417 -0.053 25913 3126 1 15 . 1 1 0 0 SER CB C 0 64.049 64.049 63.590 0.459 25913 3127 1 15 . 1 1 1 1 MET N N 1 123.174 123.174 123.390 -0.216 25913 3128 1 15 . 1 1 1 1 MET HA H 1 4.486 4.486 4.259 0.227 25913 3129 1 15 . 1 1 1 1 MET C C 1 176.177 176.177 175.045 1.132 25913 3130 1 15 . 1 1 1 1 MET CA C 1 55.804 55.804 55.411 0.393 25913 3131 1 15 . 1 1 1 1 MET CB C 1 32.941 32.941 32.197 0.744 25913 3132 1 15 . 1 1 1 1 MET H H 1 8.592 8.592 8.782 -0.190 25913 3133 1 15 . 1 1 2 2 ALA N N 2 125.785 125.785 126.613 -0.828 25913 3134 1 15 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.449 -0.156 25913 3135 1 15 . 1 1 2 2 ALA C C 2 177.812 177.812 176.435 1.377 25913 3136 1 15 . 1 1 2 2 ALA CA C 2 52.809 52.809 51.749 1.060 25913 3137 1 15 . 1 1 2 2 ALA CB C 2 19.224 19.224 19.192 0.032 25913 3138 1 15 . 1 1 2 2 ALA H H 2 8.337 8.337 8.452 -0.115 25913 3139 1 15 . 1 1 3 3 GLU N N 3 120.731 120.731 116.738 3.993 25913 3140 1 15 . 1 1 3 3 GLU HA H 3 4.256 4.256 3.997 0.259 25913 3141 1 15 . 1 1 3 3 GLU C C 3 176.186 176.186 176.137 0.049 25913 3142 1 15 . 1 1 3 3 GLU CA C 3 56.377 56.377 56.981 -0.604 25913 3143 1 15 . 1 1 3 3 GLU CB C 3 30.549 30.549 27.513 3.036 25913 3144 1 15 . 1 1 3 3 GLU H H 3 8.274 8.274 8.367 -0.093 25913 3145 1 15 . 1 1 4 4 ALA N N 4 125.716 125.716 119.445 6.271 25913 3146 1 15 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.160 0.185 25913 3147 1 15 . 1 1 4 4 ALA C C 4 177.530 177.530 178.108 -0.578 25913 3148 1 15 . 1 1 4 4 ALA CA C 4 52.413 52.413 53.460 -1.047 25913 3149 1 15 . 1 1 4 4 ALA CB C 4 19.466 19.466 19.386 0.080 25913 3150 1 15 . 1 1 4 4 ALA H H 4 8.271 8.271 8.523 -0.252 25913 3151 1 15 . 1 1 5 5 SER N N 5 117.161 117.161 113.597 3.564 25913 3152 1 15 . 1 1 5 5 SER HA H 5 4.724 4.724 4.786 -0.062 25913 3153 1 15 . 1 1 5 5 SER C C 5 172.661 172.661 172.765 -0.104 25913 3154 1 15 . 1 1 5 5 SER CA C 5 56.354 56.354 59.251 -2.897 25913 3155 1 15 . 1 1 5 5 SER CB C 5 63.442 63.442 62.160 1.282 25913 3156 1 15 . 1 1 5 5 SER H H 5 8.259 8.259 8.441 -0.182 25913 3157 1 15 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.547 -0.133 25913 3158 1 15 . 1 1 6 6 PRO C C 6 176.523 176.523 175.598 0.925 25913 3159 1 15 . 1 1 6 6 PRO CA C 6 63.385 63.385 63.452 -0.067 25913 3160 1 15 . 1 1 6 6 PRO CB C 6 32.187 32.187 30.463 1.724 25913 3161 1 15 . 1 1 7 7 HIS N N 7 120.170 120.170 120.679 -0.509 25913 3162 1 15 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.827 0.153 25913 3163 1 15 . 1 1 7 7 HIS C C 7 172.577 172.577 172.367 0.210 25913 3164 1 15 . 1 1 7 7 HIS CA C 7 53.492 53.492 53.985 -0.493 25913 3165 1 15 . 1 1 7 7 HIS CB C 7 29.133 29.133 29.741 -0.608 25913 3166 1 15 . 1 1 7 7 HIS H H 7 8.489 8.489 7.805 0.684 25913 3167 1 15 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.411 0.135 25913 3168 1 15 . 1 1 8 8 PRO C C 8 177.382 177.382 176.441 0.941 25913 3169 1 15 . 1 1 8 8 PRO CA C 8 63.443 63.443 63.183 0.260 25913 3170 1 15 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.268 0.109 25913 3171 1 15 . 1 1 9 9 GLY N N 9 110.263 110.263 109.222 1.041 25913 3172 1 15 . 1 1 9 9 GLY C C 9 172.859 172.859 173.139 -0.280 25913 3173 1 15 . 1 1 9 9 GLY CA C 9 45.211 45.211 46.022 -0.811 25913 3174 1 15 . 1 1 9 9 GLY H H 9 8.635 8.635 8.772 -0.137 25913 3175 1 15 . 1 1 10 10 ARG N N 10 121.025 121.025 122.759 -1.734 25913 3176 1 15 . 1 1 10 10 ARG HA H 10 4.782 4.782 5.043 -0.261 25913 3177 1 15 . 1 1 10 10 ARG C C 10 175.125 175.125 174.846 0.279 25913 3178 1 15 . 1 1 10 10 ARG CA C 10 55.356 55.356 55.459 -0.103 25913 3179 1 15 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.386 3.596 25913 3180 1 15 . 1 1 10 10 ARG H H 10 8.229 8.229 7.985 0.244 25913 3181 1 15 . 1 1 11 11 TYR N N 11 121.353 121.353 123.646 -2.293 25913 3182 1 15 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.633 -0.305 25913 3183 1 15 . 1 1 11 11 TYR C C 11 174.229 174.229 174.836 -0.607 25913 3184 1 15 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.198 0.851 25913 3185 1 15 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.268 -0.217 25913 3186 1 15 . 1 1 11 11 TYR H H 11 8.692 8.692 9.360 -0.668 25913 3187 1 15 . 1 1 12 12 PHE N N 12 122.456 122.456 121.790 0.666 25913 3188 1 15 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.387 -0.503 25913 3189 1 15 . 1 1 12 12 PHE C C 12 174.224 174.224 174.722 -0.498 25913 3190 1 15 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.373 0.645 25913 3191 1 15 . 1 1 12 12 PHE CB C 12 44.078 44.078 42.155 1.923 25913 3192 1 15 . 1 1 12 12 PHE H H 12 9.415 9.415 8.862 0.553 25913 3193 1 15 . 1 1 13 13 CYS N N 13 128.438 128.438 128.457 -0.019 25913 3194 1 15 . 1 1 13 13 CYS HA H 13 4.653 4.653 5.021 -0.368 25913 3195 1 15 . 1 1 13 13 CYS C C 13 176.686 176.686 175.399 1.287 25913 3196 1 15 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.402 0.926 25913 3197 1 15 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.089 3.131 25913 3198 1 15 . 1 1 13 13 CYS H H 13 7.942 7.942 8.831 -0.889 25913 3199 1 15 . 1 1 14 14 HIS N N 14 126.467 126.467 126.283 0.184 25913 3200 1 15 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.505 -0.182 25913 3201 1 15 . 1 1 14 14 HIS C C 14 175.452 175.452 176.544 -1.092 25913 3202 1 15 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.354 0.382 25913 3203 1 15 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.376 -1.185 25913 3204 1 15 . 1 1 14 14 HIS H H 14 8.971 8.971 9.627 -0.656 25913 3205 1 15 . 1 1 15 15 CYS N N 15 123.882 123.882 118.412 5.470 25913 3206 1 15 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.341 0.101 25913 3207 1 15 . 1 1 15 15 CYS C C 15 176.939 176.939 176.036 0.903 25913 3208 1 15 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.252 0.452 25913 3209 1 15 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.874 -0.533 25913 3210 1 15 . 1 1 15 15 CYS H H 15 9.195 9.195 8.135 1.060 25913 3211 1 15 . 1 1 16 16 CYS N N 16 124.898 124.898 119.055 5.843 25913 3212 1 15 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.528 -0.530 25913 3213 1 15 . 1 1 16 16 CYS C C 16 175.557 175.557 174.336 1.221 25913 3214 1 15 . 1 1 16 16 CYS CB C 16 30.961 30.961 28.264 2.697 25913 3215 1 15 . 1 1 16 16 CYS H H 16 9.794 9.794 7.803 1.991 25913 3216 1 15 . 1 1 17 17 SER N N 17 114.055 114.055 114.507 -0.452 25913 3217 1 15 . 1 1 17 17 SER HA H 17 3.755 3.755 4.122 -0.367 25913 3218 1 15 . 1 1 17 17 SER C C 17 173.790 173.790 173.087 0.703 25913 3219 1 15 . 1 1 17 17 SER CA C 17 58.868 58.868 59.271 -0.403 25913 3220 1 15 . 1 1 17 17 SER CB C 17 61.703 61.703 60.985 0.718 25913 3221 1 15 . 1 1 17 17 SER H H 17 7.950 7.950 8.196 -0.246 25913 3222 1 15 . 1 1 18 18 VAL N N 18 111.916 111.916 113.026 -1.110 25913 3223 1 15 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.241 0.217 25913 3224 1 15 . 1 1 18 18 VAL C C 18 173.765 173.765 173.668 0.097 25913 3225 1 15 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.325 -0.293 25913 3226 1 15 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.179 1.488 25913 3227 1 15 . 1 1 18 18 VAL H H 18 6.438 6.438 6.661 -0.223 25913 3228 1 15 . 1 1 19 19 GLU N N 19 123.431 123.431 121.853 1.578 25913 3229 1 15 . 1 1 19 19 GLU HA H 19 5.023 5.023 5.113 -0.090 25913 3230 1 15 . 1 1 19 19 GLU C C 19 176.506 176.506 176.385 0.121 25913 3231 1 15 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.007 0.811 25913 3232 1 15 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.317 -0.152 25913 3233 1 15 . 1 1 19 19 GLU H H 19 8.346 8.346 8.398 -0.052 25913 3234 1 15 . 1 1 20 20 ILE N N 20 117.751 117.751 120.655 -2.904 25913 3235 1 15 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.744 -0.003 25913 3236 1 15 . 1 1 20 20 ILE C C 20 175.511 175.511 173.909 1.602 25913 3237 1 15 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.312 -0.367 25913 3238 1 15 . 1 1 20 20 ILE CB C 20 44.667 44.667 42.013 2.654 25913 3239 1 15 . 1 1 20 20 ILE H H 20 8.537 8.537 9.111 -0.574 25913 3240 1 15 . 1 1 21 21 VAL N N 21 124.220 124.220 122.518 1.702 25913 3241 1 15 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.165 -0.579 25913 3242 1 15 . 1 1 21 21 VAL C C 21 174.640 174.640 174.071 0.569 25913 3243 1 15 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.656 2.062 25913 3244 1 15 . 1 1 21 21 VAL CB C 21 32.503 32.503 33.123 -0.621 25913 3245 1 15 . 1 1 21 21 VAL H H 21 8.203 8.203 8.435 -0.232 25913 3246 1 15 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.706 -0.647 25913 3247 1 15 . 1 1 22 22 PRO C C 22 175.352 175.352 176.138 -0.786 25913 3248 1 15 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.532 0.129 25913 3249 1 15 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.394 -0.380 25913 3250 1 15 . 1 1 23 23 ARG N N 23 121.370 121.370 122.124 -0.754 25913 3251 1 15 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.243 0.012 25913 3252 1 15 . 1 1 23 23 ARG C C 23 175.759 175.759 176.653 -0.894 25913 3253 1 15 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.003 0.049 25913 3254 1 15 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.125 1.761 25913 3255 1 15 . 1 1 23 23 ARG H H 23 8.635 8.635 8.089 0.546 25913 3256 1 15 . 1 1 24 24 LEU N N 24 127.914 127.914 126.928 0.986 25913 3257 1 15 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.718 0.455 25913 3258 1 15 . 1 1 24 24 LEU C C 24 175.774 175.774 175.988 -0.214 25913 3259 1 15 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.636 -5.698 25913 3260 1 15 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.107 2.313 25913 3261 1 15 . 1 1 24 24 LEU H H 24 8.521 8.521 8.711 -0.190 25913 3262 1 15 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.139 0.201 25913 3263 1 15 . 1 1 25 25 PRO C C 25 176.386 176.386 177.195 -0.809 25913 3264 1 15 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.608 -0.941 25913 3265 1 15 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.718 2.958 25913 3266 1 15 . 1 1 26 26 ASP N N 26 122.078 122.078 114.242 7.836 25913 3267 1 15 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.675 -0.288 25913 3268 1 15 . 1 1 26 26 ASP C C 26 175.321 175.321 175.860 -0.539 25913 3269 1 15 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.328 2.026 25913 3270 1 15 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.700 -1.634 25913 3271 1 15 . 1 1 26 26 ASP H H 26 8.752 8.752 7.651 1.101 25913 3272 1 15 . 1 1 27 27 TYR N N 27 117.607 117.607 117.953 -0.346 25913 3273 1 15 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.979 -0.530 25913 3274 1 15 . 1 1 27 27 TYR C C 27 173.074 173.074 174.361 -1.287 25913 3275 1 15 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.356 1.081 25913 3276 1 15 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.517 -0.457 25913 3277 1 15 . 1 1 27 27 TYR H H 27 8.666 8.666 8.121 0.545 25913 3278 1 15 . 1 1 28 28 ILE N N 28 111.804 111.804 112.593 -0.789 25913 3279 1 15 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.554 0.221 25913 3280 1 15 . 1 1 28 28 ILE C C 28 175.083 175.083 174.753 0.330 25913 3281 1 15 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.545 -0.976 25913 3282 1 15 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.115 0.992 25913 3283 1 15 . 1 1 28 28 ILE H H 28 6.761 6.761 7.277 -0.516 25913 3284 1 15 . 1 1 29 29 CYS N N 29 126.875 126.875 119.006 7.869 25913 3285 1 15 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.762 -0.354 25913 3286 1 15 . 1 1 29 29 CYS C C 29 175.932 175.932 175.094 0.838 25913 3287 1 15 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.854 0.548 25913 3288 1 15 . 1 1 29 29 CYS CB C 29 32.214 32.214 27.964 4.250 25913 3289 1 15 . 1 1 29 29 CYS H H 29 8.783 8.783 8.779 0.004 25913 3290 1 15 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.448 -0.066 25913 3291 1 15 . 1 1 30 30 PRO C C 30 176.824 176.824 177.645 -0.821 25913 3292 1 15 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.493 -0.453 25913 3293 1 15 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.900 0.444 25913 3294 1 15 . 1 1 31 31 ARG N N 31 124.131 124.131 117.783 6.348 25913 3295 1 15 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.430 -0.129 25913 3296 1 15 . 1 1 31 31 ARG C C 31 177.721 177.721 177.110 0.611 25913 3297 1 15 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.892 0.298 25913 3298 1 15 . 1 1 31 31 ARG CB C 31 31.682 31.682 30.957 0.725 25913 3299 1 15 . 1 1 31 31 ARG H H 31 9.604 9.604 7.728 1.876 25913 3300 1 15 . 1 1 32 32 CYS N N 32 119.758 119.758 113.838 5.920 25913 3301 1 15 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.838 0.001 25913 3302 1 15 . 1 1 32 32 CYS C C 32 176.450 176.450 174.210 2.240 25913 3303 1 15 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.544 1.166 25913 3304 1 15 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.454 3.776 25913 3305 1 15 . 1 1 32 32 CYS H H 32 8.549 8.549 7.738 0.811 25913 3306 1 15 . 1 1 33 33 GLU N N 33 118.109 118.109 120.106 -1.997 25913 3307 1 15 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.092 -0.014 25913 3308 1 15 . 1 1 33 33 GLU C C 33 174.739 174.739 176.010 -1.271 25913 3309 1 15 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.475 1.043 25913 3310 1 15 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.109 -0.417 25913 3311 1 15 . 1 1 33 33 GLU H H 33 7.868 7.868 8.254 -0.386 25913 3312 1 15 . 1 1 34 34 SER N N 34 117.224 117.224 115.057 2.167 25913 3313 1 15 . 1 1 34 34 SER HA H 34 4.437 4.437 4.447 -0.010 25913 3314 1 15 . 1 1 34 34 SER C C 34 175.392 175.392 175.698 -0.306 25913 3315 1 15 . 1 1 34 34 SER CA C 34 59.277 59.277 60.001 -0.724 25913 3316 1 15 . 1 1 34 34 SER CB C 34 65.429 65.429 64.249 1.180 25913 3317 1 15 . 1 1 34 34 SER H H 34 8.786 8.786 8.117 0.669 25913 3318 1 15 . 1 1 35 35 GLY N N 35 111.095 111.095 107.868 3.227 25913 3319 1 15 . 1 1 35 35 GLY C C 35 175.730 175.730 174.852 0.878 25913 3320 1 15 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.774 0.467 25913 3321 1 15 . 1 1 35 35 GLY H H 35 8.511 8.511 8.452 0.059 25913 3322 1 15 . 1 1 36 36 PHE N N 36 126.409 126.409 125.154 1.255 25913 3323 1 15 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.441 0.710 25913 3324 1 15 . 1 1 36 36 PHE C C 36 174.098 174.098 174.146 -0.048 25913 3325 1 15 . 1 1 36 36 PHE CA C 36 55.269 55.269 58.679 -3.410 25913 3326 1 15 . 1 1 36 36 PHE CB C 36 36.027 36.027 36.977 -0.950 25913 3327 1 15 . 1 1 36 36 PHE H H 36 8.850 8.850 7.884 0.966 25913 3328 1 15 . 1 1 37 37 ILE N N 37 117.377 117.377 115.143 2.234 25913 3329 1 15 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.402 -0.046 25913 3330 1 15 . 1 1 37 37 ILE C C 37 175.508 175.508 174.973 0.535 25913 3331 1 15 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.333 0.354 25913 3332 1 15 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.636 -1.488 25913 3333 1 15 . 1 1 37 37 ILE H H 37 7.972 7.972 7.864 0.108 25913 3334 1 15 . 1 1 38 38 GLU N N 38 124.869 124.869 122.351 2.518 25913 3335 1 15 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.583 0.302 25913 3336 1 15 . 1 1 38 38 GLU C C 38 174.300 174.300 175.371 -1.071 25913 3337 1 15 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.101 0.555 25913 3338 1 15 . 1 1 38 38 GLU CB C 38 34.589 34.589 31.801 2.788 25913 3339 1 15 . 1 1 38 38 GLU H H 38 9.131 9.131 8.793 0.338 25913 3340 1 15 . 1 1 39 39 GLU N N 39 127.840 127.840 126.844 0.996 25913 3341 1 15 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.098 0.750 25913 3342 1 15 . 1 1 39 39 GLU C C 39 175.507 175.507 175.612 -0.105 25913 3343 1 15 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.507 0.998 25913 3344 1 15 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.604 1.645 25913 3345 1 15 . 1 1 39 39 GLU H H 39 8.844 8.844 8.673 0.171 25913 3346 1 16 . 1 1 0 0 SER HA H 0 4.525 4.525 4.341 0.184 25913 3347 1 16 . 1 1 0 0 SER C C 0 174.776 174.776 175.276 -0.500 25913 3348 1 16 . 1 1 0 0 SER CA C 0 58.364 58.364 60.747 -2.383 25913 3349 1 16 . 1 1 0 0 SER CB C 0 64.049 64.049 63.472 0.577 25913 3350 1 16 . 1 1 1 1 MET N N 1 123.174 123.174 120.482 2.692 25913 3351 1 16 . 1 1 1 1 MET HA H 1 4.486 4.486 4.587 -0.101 25913 3352 1 16 . 1 1 1 1 MET C C 1 176.177 176.177 175.356 0.821 25913 3353 1 16 . 1 1 1 1 MET CA C 1 55.804 55.804 54.615 1.189 25913 3354 1 16 . 1 1 1 1 MET CB C 1 32.941 32.941 32.113 0.828 25913 3355 1 16 . 1 1 1 1 MET H H 1 8.592 8.592 7.802 0.790 25913 3356 1 16 . 1 1 2 2 ALA N N 2 125.785 125.785 125.864 -0.079 25913 3357 1 16 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.516 -0.223 25913 3358 1 16 . 1 1 2 2 ALA C C 2 177.812 177.812 177.121 0.691 25913 3359 1 16 . 1 1 2 2 ALA CA C 2 52.809 52.809 52.475 0.334 25913 3360 1 16 . 1 1 2 2 ALA CB C 2 19.224 19.224 19.439 -0.215 25913 3361 1 16 . 1 1 2 2 ALA H H 2 8.337 8.337 8.623 -0.286 25913 3362 1 16 . 1 1 3 3 GLU N N 3 120.731 120.731 119.696 1.035 25913 3363 1 16 . 1 1 3 3 GLU HA H 3 4.256 4.256 3.967 0.289 25913 3364 1 16 . 1 1 3 3 GLU C C 3 176.186 176.186 175.755 0.431 25913 3365 1 16 . 1 1 3 3 GLU CA C 3 56.377 56.377 57.953 -1.576 25913 3366 1 16 . 1 1 3 3 GLU CB C 3 30.549 30.549 28.781 1.768 25913 3367 1 16 . 1 1 3 3 GLU H H 3 8.274 8.274 8.979 -0.705 25913 3368 1 16 . 1 1 4 4 ALA N N 4 125.716 125.716 121.809 3.907 25913 3369 1 16 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.503 -0.158 25913 3370 1 16 . 1 1 4 4 ALA C C 4 177.530 177.530 176.123 1.407 25913 3371 1 16 . 1 1 4 4 ALA CA C 4 52.413 52.413 52.060 0.353 25913 3372 1 16 . 1 1 4 4 ALA CB C 4 19.466 19.466 19.767 -0.301 25913 3373 1 16 . 1 1 4 4 ALA H H 4 8.271 8.271 7.932 0.339 25913 3374 1 16 . 1 1 5 5 SER N N 5 117.161 117.161 112.652 4.509 25913 3375 1 16 . 1 1 5 5 SER HA H 5 4.724 4.724 4.272 0.452 25913 3376 1 16 . 1 1 5 5 SER C C 5 172.661 172.661 172.321 0.340 25913 3377 1 16 . 1 1 5 5 SER CA C 5 56.354 56.354 57.818 -1.464 25913 3378 1 16 . 1 1 5 5 SER CB C 5 63.442 63.442 62.094 1.348 25913 3379 1 16 . 1 1 5 5 SER H H 5 8.259 8.259 8.517 -0.258 25913 3380 1 16 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.483 -0.069 25913 3381 1 16 . 1 1 6 6 PRO C C 6 176.523 176.523 175.799 0.724 25913 3382 1 16 . 1 1 6 6 PRO CA C 6 63.385 63.385 62.548 0.837 25913 3383 1 16 . 1 1 6 6 PRO CB C 6 32.187 32.187 32.166 0.021 25913 3384 1 16 . 1 1 7 7 HIS N N 7 120.170 120.170 116.838 3.332 25913 3385 1 16 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.521 0.459 25913 3386 1 16 . 1 1 7 7 HIS C C 7 172.577 172.577 173.733 -1.156 25913 3387 1 16 . 1 1 7 7 HIS CA C 7 53.492 53.492 54.486 -0.994 25913 3388 1 16 . 1 1 7 7 HIS CB C 7 29.133 29.133 28.596 0.537 25913 3389 1 16 . 1 1 7 7 HIS H H 7 8.489 8.489 8.371 0.118 25913 3390 1 16 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.563 -0.017 25913 3391 1 16 . 1 1 8 8 PRO C C 8 177.382 177.382 176.633 0.749 25913 3392 1 16 . 1 1 8 8 PRO CA C 8 63.443 63.443 63.381 0.062 25913 3393 1 16 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.566 -0.189 25913 3394 1 16 . 1 1 9 9 GLY N N 9 110.263 110.263 110.592 -0.329 25913 3395 1 16 . 1 1 9 9 GLY C C 9 172.859 172.859 173.345 -0.486 25913 3396 1 16 . 1 1 9 9 GLY CA C 9 45.211 45.211 46.181 -0.971 25913 3397 1 16 . 1 1 9 9 GLY H H 9 8.635 8.635 9.016 -0.381 25913 3398 1 16 . 1 1 10 10 ARG N N 10 121.025 121.025 123.524 -2.499 25913 3399 1 16 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.650 0.132 25913 3400 1 16 . 1 1 10 10 ARG C C 10 175.125 175.125 174.957 0.168 25913 3401 1 16 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.411 -1.055 25913 3402 1 16 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.034 3.948 25913 3403 1 16 . 1 1 10 10 ARG H H 10 8.229 8.229 8.042 0.187 25913 3404 1 16 . 1 1 11 11 TYR N N 11 121.353 121.353 123.723 -2.370 25913 3405 1 16 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.598 -0.270 25913 3406 1 16 . 1 1 11 11 TYR C C 11 174.229 174.229 174.736 -0.507 25913 3407 1 16 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.225 0.824 25913 3408 1 16 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.589 -0.538 25913 3409 1 16 . 1 1 11 11 TYR H H 11 8.692 8.692 9.405 -0.713 25913 3410 1 16 . 1 1 12 12 PHE N N 12 122.456 122.456 121.850 0.606 25913 3411 1 16 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.285 -0.401 25913 3412 1 16 . 1 1 12 12 PHE C C 12 174.224 174.224 174.674 -0.450 25913 3413 1 16 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.481 0.538 25913 3414 1 16 . 1 1 12 12 PHE CB C 12 44.078 44.078 42.020 2.058 25913 3415 1 16 . 1 1 12 12 PHE H H 12 9.415 9.415 9.077 0.338 25913 3416 1 16 . 1 1 13 13 CYS N N 13 128.438 128.438 128.294 0.144 25913 3417 1 16 . 1 1 13 13 CYS HA H 13 4.653 4.653 5.052 -0.399 25913 3418 1 16 . 1 1 13 13 CYS C C 13 176.686 176.686 175.266 1.420 25913 3419 1 16 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.642 0.686 25913 3420 1 16 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.511 2.709 25913 3421 1 16 . 1 1 13 13 CYS H H 13 7.942 7.942 8.949 -1.007 25913 3422 1 16 . 1 1 14 14 HIS N N 14 126.467 126.467 125.759 0.708 25913 3423 1 16 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.621 -0.298 25913 3424 1 16 . 1 1 14 14 HIS C C 14 175.452 175.452 176.345 -0.893 25913 3425 1 16 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.572 0.164 25913 3426 1 16 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.882 -1.691 25913 3427 1 16 . 1 1 14 14 HIS H H 14 8.971 8.971 9.527 -0.556 25913 3428 1 16 . 1 1 15 15 CYS N N 15 123.882 123.882 118.594 5.288 25913 3429 1 16 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.298 0.144 25913 3430 1 16 . 1 1 15 15 CYS C C 15 176.939 176.939 176.052 0.887 25913 3431 1 16 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.248 0.456 25913 3432 1 16 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.578 -0.236 25913 3433 1 16 . 1 1 15 15 CYS H H 15 9.195 9.195 8.297 0.898 25913 3434 1 16 . 1 1 16 16 CYS N N 16 124.898 124.898 121.062 3.836 25913 3435 1 16 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.550 -0.552 25913 3436 1 16 . 1 1 16 16 CYS C C 16 175.557 175.557 174.535 1.022 25913 3437 1 16 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.323 3.638 25913 3438 1 16 . 1 1 16 16 CYS H H 16 9.794 9.794 7.923 1.871 25913 3439 1 16 . 1 1 17 17 SER N N 17 114.055 114.055 113.372 0.683 25913 3440 1 16 . 1 1 17 17 SER HA H 17 3.755 3.755 4.128 -0.373 25913 3441 1 16 . 1 1 17 17 SER C C 17 173.790 173.790 173.299 0.491 25913 3442 1 16 . 1 1 17 17 SER CA C 17 58.868 58.868 59.322 -0.454 25913 3443 1 16 . 1 1 17 17 SER CB C 17 61.703 61.703 60.608 1.095 25913 3444 1 16 . 1 1 17 17 SER H H 17 7.950 7.950 7.893 0.057 25913 3445 1 16 . 1 1 18 18 VAL N N 18 111.916 111.916 112.652 -0.736 25913 3446 1 16 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.218 0.240 25913 3447 1 16 . 1 1 18 18 VAL C C 18 173.765 173.765 173.472 0.293 25913 3448 1 16 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.305 -0.273 25913 3449 1 16 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.438 1.229 25913 3450 1 16 . 1 1 18 18 VAL H H 18 6.438 6.438 7.068 -0.630 25913 3451 1 16 . 1 1 19 19 GLU N N 19 123.431 123.431 121.579 1.852 25913 3452 1 16 . 1 1 19 19 GLU HA H 19 5.023 5.023 5.064 -0.041 25913 3453 1 16 . 1 1 19 19 GLU C C 19 176.506 176.506 176.186 0.320 25913 3454 1 16 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.217 0.601 25913 3455 1 16 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.546 -0.381 25913 3456 1 16 . 1 1 19 19 GLU H H 19 8.346 8.346 8.347 -0.001 25913 3457 1 16 . 1 1 20 20 ILE N N 20 117.751 117.751 121.131 -3.380 25913 3458 1 16 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.751 -0.010 25913 3459 1 16 . 1 1 20 20 ILE C C 20 175.511 175.511 173.760 1.751 25913 3460 1 16 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.499 -0.554 25913 3461 1 16 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.656 3.011 25913 3462 1 16 . 1 1 20 20 ILE H H 20 8.537 8.537 8.800 -0.263 25913 3463 1 16 . 1 1 21 21 VAL N N 21 124.220 124.220 121.942 2.278 25913 3464 1 16 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.239 -0.653 25913 3465 1 16 . 1 1 21 21 VAL C C 21 174.640 174.640 174.010 0.630 25913 3466 1 16 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.848 1.870 25913 3467 1 16 . 1 1 21 21 VAL CB C 21 32.503 32.503 33.520 -1.017 25913 3468 1 16 . 1 1 21 21 VAL H H 21 8.203 8.203 8.387 -0.184 25913 3469 1 16 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.744 -0.685 25913 3470 1 16 . 1 1 22 22 PRO C C 22 175.352 175.352 176.130 -0.778 25913 3471 1 16 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.580 0.081 25913 3472 1 16 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.348 -0.334 25913 3473 1 16 . 1 1 23 23 ARG N N 23 121.370 121.370 123.200 -1.830 25913 3474 1 16 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.255 -0.000 25913 3475 1 16 . 1 1 23 23 ARG C C 23 175.759 175.759 176.663 -0.904 25913 3476 1 16 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.051 0.001 25913 3477 1 16 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.319 1.567 25913 3478 1 16 . 1 1 23 23 ARG H H 23 8.635 8.635 8.178 0.457 25913 3479 1 16 . 1 1 24 24 LEU N N 24 127.914 127.914 127.185 0.729 25913 3480 1 16 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.861 0.312 25913 3481 1 16 . 1 1 24 24 LEU C C 24 175.774 175.774 176.167 -0.393 25913 3482 1 16 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.508 -5.569 25913 3483 1 16 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.129 2.291 25913 3484 1 16 . 1 1 24 24 LEU H H 24 8.521 8.521 8.737 -0.216 25913 3485 1 16 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.197 0.143 25913 3486 1 16 . 1 1 25 25 PRO C C 25 176.386 176.386 177.290 -0.904 25913 3487 1 16 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.647 -0.980 25913 3488 1 16 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.747 2.929 25913 3489 1 16 . 1 1 26 26 ASP N N 26 122.078 122.078 115.299 6.779 25913 3490 1 16 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.659 -0.272 25913 3491 1 16 . 1 1 26 26 ASP C C 26 175.321 175.321 176.031 -0.710 25913 3492 1 16 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.320 2.035 25913 3493 1 16 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.896 -1.830 25913 3494 1 16 . 1 1 26 26 ASP H H 26 8.752 8.752 7.732 1.020 25913 3495 1 16 . 1 1 27 27 TYR N N 27 117.607 117.607 118.366 -0.759 25913 3496 1 16 . 1 1 27 27 TYR HA H 27 3.449 3.449 4.056 -0.607 25913 3497 1 16 . 1 1 27 27 TYR C C 27 173.074 173.074 174.106 -1.032 25913 3498 1 16 . 1 1 27 27 TYR CA C 27 60.437 60.437 58.934 1.503 25913 3499 1 16 . 1 1 27 27 TYR CB C 27 35.060 35.060 36.128 -1.068 25913 3500 1 16 . 1 1 27 27 TYR H H 27 8.666 8.666 8.059 0.607 25913 3501 1 16 . 1 1 28 28 ILE N N 28 111.804 111.804 112.922 -1.118 25913 3502 1 16 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.479 0.296 25913 3503 1 16 . 1 1 28 28 ILE C C 28 175.083 175.083 174.544 0.539 25913 3504 1 16 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.124 -0.555 25913 3505 1 16 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.197 0.910 25913 3506 1 16 . 1 1 28 28 ILE H H 28 6.761 6.761 7.431 -0.670 25913 3507 1 16 . 1 1 29 29 CYS N N 29 126.875 126.875 118.767 8.108 25913 3508 1 16 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.772 -0.364 25913 3509 1 16 . 1 1 29 29 CYS C C 29 175.932 175.932 175.069 0.863 25913 3510 1 16 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.872 0.530 25913 3511 1 16 . 1 1 29 29 CYS CB C 29 32.214 32.214 27.983 4.231 25913 3512 1 16 . 1 1 29 29 CYS H H 29 8.783 8.783 8.701 0.082 25913 3513 1 16 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.509 -0.127 25913 3514 1 16 . 1 1 30 30 PRO C C 30 176.824 176.824 176.761 0.063 25913 3515 1 16 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.214 -0.174 25913 3516 1 16 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.803 0.541 25913 3517 1 16 . 1 1 31 31 ARG N N 31 124.131 124.131 116.371 7.760 25913 3518 1 16 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.467 -0.166 25913 3519 1 16 . 1 1 31 31 ARG C C 31 177.721 177.721 177.141 0.580 25913 3520 1 16 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.517 0.673 25913 3521 1 16 . 1 1 31 31 ARG CB C 31 31.682 31.682 31.213 0.469 25913 3522 1 16 . 1 1 31 31 ARG H H 31 9.604 9.604 7.663 1.941 25913 3523 1 16 . 1 1 32 32 CYS N N 32 119.758 119.758 114.051 5.707 25913 3524 1 16 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.856 -0.017 25913 3525 1 16 . 1 1 32 32 CYS C C 32 176.450 176.450 174.463 1.987 25913 3526 1 16 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.585 1.125 25913 3527 1 16 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.447 3.783 25913 3528 1 16 . 1 1 32 32 CYS H H 32 8.549 8.549 7.758 0.791 25913 3529 1 16 . 1 1 33 33 GLU N N 33 118.109 118.109 120.068 -1.959 25913 3530 1 16 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.044 0.034 25913 3531 1 16 . 1 1 33 33 GLU C C 33 174.739 174.739 176.063 -1.324 25913 3532 1 16 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.504 1.014 25913 3533 1 16 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.334 -0.642 25913 3534 1 16 . 1 1 33 33 GLU H H 33 7.868 7.868 8.215 -0.347 25913 3535 1 16 . 1 1 34 34 SER N N 34 117.224 117.224 115.064 2.160 25913 3536 1 16 . 1 1 34 34 SER HA H 34 4.437 4.437 4.493 -0.056 25913 3537 1 16 . 1 1 34 34 SER C C 34 175.392 175.392 175.650 -0.258 25913 3538 1 16 . 1 1 34 34 SER CA C 34 59.277 59.277 60.115 -0.838 25913 3539 1 16 . 1 1 34 34 SER CB C 34 65.429 65.429 64.381 1.048 25913 3540 1 16 . 1 1 34 34 SER H H 34 8.786 8.786 7.987 0.799 25913 3541 1 16 . 1 1 35 35 GLY N N 35 111.095 111.095 107.697 3.398 25913 3542 1 16 . 1 1 35 35 GLY C C 35 175.730 175.730 174.559 1.171 25913 3543 1 16 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.607 0.634 25913 3544 1 16 . 1 1 35 35 GLY H H 35 8.511 8.511 8.428 0.083 25913 3545 1 16 . 1 1 36 36 PHE N N 36 126.409 126.409 125.112 1.297 25913 3546 1 16 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.454 0.697 25913 3547 1 16 . 1 1 36 36 PHE C C 36 174.098 174.098 174.690 -0.592 25913 3548 1 16 . 1 1 36 36 PHE CA C 36 55.269 55.269 58.892 -3.623 25913 3549 1 16 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.504 -1.477 25913 3550 1 16 . 1 1 36 36 PHE H H 36 8.850 8.850 7.748 1.102 25913 3551 1 16 . 1 1 37 37 ILE N N 37 117.377 117.377 115.750 1.627 25913 3552 1 16 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.444 -0.088 25913 3553 1 16 . 1 1 37 37 ILE C C 37 175.508 175.508 174.894 0.614 25913 3554 1 16 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.639 0.048 25913 3555 1 16 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.531 -1.383 25913 3556 1 16 . 1 1 37 37 ILE H H 37 7.972 7.972 7.855 0.117 25913 3557 1 16 . 1 1 38 38 GLU N N 38 124.869 124.869 123.010 1.859 25913 3558 1 16 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.610 0.275 25913 3559 1 16 . 1 1 38 38 GLU C C 38 174.300 174.300 175.328 -1.028 25913 3560 1 16 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.902 -0.246 25913 3561 1 16 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.319 2.271 25913 3562 1 16 . 1 1 38 38 GLU H H 38 9.131 9.131 8.950 0.181 25913 3563 1 16 . 1 1 39 39 GLU N N 39 127.840 127.840 126.738 1.102 25913 3564 1 16 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.182 0.666 25913 3565 1 16 . 1 1 39 39 GLU C C 39 175.507 175.507 175.555 -0.048 25913 3566 1 16 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.728 0.777 25913 3567 1 16 . 1 1 39 39 GLU CB C 39 30.249 30.249 29.109 1.140 25913 3568 1 16 . 1 1 39 39 GLU H H 39 8.844 8.844 8.621 0.223 25913 3569 1 17 . 1 1 0 0 SER HA H 0 4.525 4.525 4.696 -0.171 25913 3570 1 17 . 1 1 0 0 SER C C 0 174.776 174.776 173.727 1.049 25913 3571 1 17 . 1 1 0 0 SER CA C 0 58.364 58.364 58.546 -0.182 25913 3572 1 17 . 1 1 0 0 SER CB C 0 64.049 64.049 63.612 0.437 25913 3573 1 17 . 1 1 1 1 MET N N 1 123.174 123.174 123.098 0.076 25913 3574 1 17 . 1 1 1 1 MET HA H 1 4.486 4.486 4.717 -0.231 25913 3575 1 17 . 1 1 1 1 MET C C 1 176.177 176.177 175.369 0.808 25913 3576 1 17 . 1 1 1 1 MET CA C 1 55.804 55.804 55.461 0.343 25913 3577 1 17 . 1 1 1 1 MET CB C 1 32.941 32.941 34.715 -1.774 25913 3578 1 17 . 1 1 1 1 MET H H 1 8.592 8.592 8.479 0.113 25913 3579 1 17 . 1 1 2 2 ALA N N 2 125.785 125.785 126.067 -0.282 25913 3580 1 17 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.553 -0.260 25913 3581 1 17 . 1 1 2 2 ALA C C 2 177.812 177.812 177.523 0.289 25913 3582 1 17 . 1 1 2 2 ALA CA C 2 52.809 52.809 52.173 0.636 25913 3583 1 17 . 1 1 2 2 ALA CB C 2 19.224 19.224 19.002 0.222 25913 3584 1 17 . 1 1 2 2 ALA H H 2 8.337 8.337 8.425 -0.088 25913 3585 1 17 . 1 1 3 3 GLU N N 3 120.731 120.731 120.084 0.647 25913 3586 1 17 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.678 -0.422 25913 3587 1 17 . 1 1 3 3 GLU C C 3 176.186 176.186 177.435 -1.249 25913 3588 1 17 . 1 1 3 3 GLU CA C 3 56.377 56.377 58.841 -2.464 25913 3589 1 17 . 1 1 3 3 GLU CB C 3 30.549 30.549 30.249 0.300 25913 3590 1 17 . 1 1 3 3 GLU H H 3 8.274 8.274 8.502 -0.228 25913 3591 1 17 . 1 1 4 4 ALA N N 4 125.716 125.716 120.048 5.668 25913 3592 1 17 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.640 -0.295 25913 3593 1 17 . 1 1 4 4 ALA C C 4 177.530 177.530 176.738 0.792 25913 3594 1 17 . 1 1 4 4 ALA CA C 4 52.413 52.413 52.629 -0.216 25913 3595 1 17 . 1 1 4 4 ALA CB C 4 19.466 19.466 20.019 -0.553 25913 3596 1 17 . 1 1 4 4 ALA H H 4 8.271 8.271 8.204 0.067 25913 3597 1 17 . 1 1 5 5 SER N N 5 117.161 117.161 115.416 1.745 25913 3598 1 17 . 1 1 5 5 SER HA H 5 4.724 4.724 4.820 -0.096 25913 3599 1 17 . 1 1 5 5 SER C C 5 172.661 172.661 171.640 1.021 25913 3600 1 17 . 1 1 5 5 SER CA C 5 56.354 56.354 57.535 -1.181 25913 3601 1 17 . 1 1 5 5 SER CB C 5 63.442 63.442 63.231 0.211 25913 3602 1 17 . 1 1 5 5 SER H H 5 8.259 8.259 8.139 0.120 25913 3603 1 17 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.680 -0.266 25913 3604 1 17 . 1 1 6 6 PRO C C 6 176.523 176.523 175.367 1.156 25913 3605 1 17 . 1 1 6 6 PRO CA C 6 63.385 63.385 63.573 -0.188 25913 3606 1 17 . 1 1 6 6 PRO CB C 6 32.187 32.187 31.944 0.243 25913 3607 1 17 . 1 1 7 7 HIS N N 7 120.170 120.170 119.759 0.411 25913 3608 1 17 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.917 0.063 25913 3609 1 17 . 1 1 7 7 HIS C C 7 172.577 172.577 173.399 -0.822 25913 3610 1 17 . 1 1 7 7 HIS CA C 7 53.492 53.492 53.111 0.381 25913 3611 1 17 . 1 1 7 7 HIS CB C 7 29.133 29.133 30.723 -1.589 25913 3612 1 17 . 1 1 7 7 HIS H H 7 8.489 8.489 7.916 0.573 25913 3613 1 17 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.577 -0.031 25913 3614 1 17 . 1 1 8 8 PRO C C 8 177.382 177.382 176.738 0.644 25913 3615 1 17 . 1 1 8 8 PRO CA C 8 63.443 63.443 62.921 0.522 25913 3616 1 17 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.504 -0.127 25913 3617 1 17 . 1 1 9 9 GLY N N 9 110.263 110.263 109.209 1.054 25913 3618 1 17 . 1 1 9 9 GLY C C 9 172.859 172.859 173.259 -0.400 25913 3619 1 17 . 1 1 9 9 GLY CA C 9 45.211 45.211 45.847 -0.637 25913 3620 1 17 . 1 1 9 9 GLY H H 9 8.635 8.635 8.911 -0.276 25913 3621 1 17 . 1 1 10 10 ARG N N 10 121.025 121.025 122.791 -1.766 25913 3622 1 17 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.879 -0.097 25913 3623 1 17 . 1 1 10 10 ARG C C 10 175.125 175.125 174.973 0.152 25913 3624 1 17 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.205 -0.849 25913 3625 1 17 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.441 3.541 25913 3626 1 17 . 1 1 10 10 ARG H H 10 8.229 8.229 7.914 0.315 25913 3627 1 17 . 1 1 11 11 TYR N N 11 121.353 121.353 123.533 -2.180 25913 3628 1 17 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.691 -0.363 25913 3629 1 17 . 1 1 11 11 TYR C C 11 174.229 174.229 174.691 -0.462 25913 3630 1 17 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.065 0.984 25913 3631 1 17 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.604 -0.553 25913 3632 1 17 . 1 1 11 11 TYR H H 11 8.692 8.692 9.383 -0.691 25913 3633 1 17 . 1 1 12 12 PHE N N 12 122.456 122.456 122.001 0.455 25913 3634 1 17 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.327 -0.443 25913 3635 1 17 . 1 1 12 12 PHE C C 12 174.224 174.224 174.869 -0.645 25913 3636 1 17 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.448 0.571 25913 3637 1 17 . 1 1 12 12 PHE CB C 12 44.078 44.078 41.958 2.120 25913 3638 1 17 . 1 1 12 12 PHE H H 12 9.415 9.415 9.099 0.316 25913 3639 1 17 . 1 1 13 13 CYS N N 13 128.438 128.438 128.482 -0.044 25913 3640 1 17 . 1 1 13 13 CYS HA H 13 4.653 4.653 4.921 -0.268 25913 3641 1 17 . 1 1 13 13 CYS C C 13 176.686 176.686 175.285 1.401 25913 3642 1 17 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.777 0.551 25913 3643 1 17 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.009 3.211 25913 3644 1 17 . 1 1 13 13 CYS H H 13 7.942 7.942 8.881 -0.939 25913 3645 1 17 . 1 1 14 14 HIS N N 14 126.467 126.467 125.734 0.733 25913 3646 1 17 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.634 -0.311 25913 3647 1 17 . 1 1 14 14 HIS C C 14 175.452 175.452 176.311 -0.859 25913 3648 1 17 . 1 1 14 14 HIS CA C 14 58.736 58.736 57.779 0.957 25913 3649 1 17 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.566 -1.375 25913 3650 1 17 . 1 1 14 14 HIS H H 14 8.971 8.971 9.455 -0.484 25913 3651 1 17 . 1 1 15 15 CYS N N 15 123.882 123.882 117.629 6.253 25913 3652 1 17 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.359 0.083 25913 3653 1 17 . 1 1 15 15 CYS C C 15 176.939 176.939 175.728 1.211 25913 3654 1 17 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.625 0.079 25913 3655 1 17 . 1 1 15 15 CYS CB C 15 28.341 28.341 29.167 -0.826 25913 3656 1 17 . 1 1 15 15 CYS H H 15 9.195 9.195 8.225 0.970 25913 3657 1 17 . 1 1 16 16 CYS N N 16 124.898 124.898 119.415 5.483 25913 3658 1 17 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.583 -0.585 25913 3659 1 17 . 1 1 16 16 CYS C C 16 175.557 175.557 174.695 0.862 25913 3660 1 17 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.788 3.173 25913 3661 1 17 . 1 1 16 16 CYS H H 16 9.794 9.794 8.138 1.656 25913 3662 1 17 . 1 1 17 17 SER N N 17 114.055 114.055 114.102 -0.047 25913 3663 1 17 . 1 1 17 17 SER HA H 17 3.755 3.755 4.111 -0.356 25913 3664 1 17 . 1 1 17 17 SER C C 17 173.790 173.790 173.265 0.525 25913 3665 1 17 . 1 1 17 17 SER CA C 17 58.868 58.868 59.639 -0.771 25913 3666 1 17 . 1 1 17 17 SER CB C 17 61.703 61.703 60.374 1.329 25913 3667 1 17 . 1 1 17 17 SER H H 17 7.950 7.950 8.230 -0.280 25913 3668 1 17 . 1 1 18 18 VAL N N 18 111.916 111.916 112.066 -0.150 25913 3669 1 17 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.299 0.159 25913 3670 1 17 . 1 1 18 18 VAL C C 18 173.765 173.765 173.590 0.175 25913 3671 1 17 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.024 0.008 25913 3672 1 17 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.353 1.314 25913 3673 1 17 . 1 1 18 18 VAL H H 18 6.438 6.438 6.959 -0.521 25913 3674 1 17 . 1 1 19 19 GLU N N 19 123.431 123.431 122.181 1.250 25913 3675 1 17 . 1 1 19 19 GLU HA H 19 5.023 5.023 4.977 0.046 25913 3676 1 17 . 1 1 19 19 GLU C C 19 176.506 176.506 175.964 0.542 25913 3677 1 17 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.342 0.476 25913 3678 1 17 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.662 -0.497 25913 3679 1 17 . 1 1 19 19 GLU H H 19 8.346 8.346 8.406 -0.060 25913 3680 1 17 . 1 1 20 20 ILE N N 20 117.751 117.751 120.744 -2.993 25913 3681 1 17 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.647 0.094 25913 3682 1 17 . 1 1 20 20 ILE C C 20 175.511 175.511 173.995 1.516 25913 3683 1 17 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.418 -0.473 25913 3684 1 17 . 1 1 20 20 ILE CB C 20 44.667 44.667 42.006 2.661 25913 3685 1 17 . 1 1 20 20 ILE H H 20 8.537 8.537 9.172 -0.635 25913 3686 1 17 . 1 1 21 21 VAL N N 21 124.220 124.220 122.693 1.527 25913 3687 1 17 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.206 -0.620 25913 3688 1 17 . 1 1 21 21 VAL C C 21 174.640 174.640 173.893 0.747 25913 3689 1 17 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.710 2.008 25913 3690 1 17 . 1 1 21 21 VAL CB C 21 32.503 32.503 32.871 -0.368 25913 3691 1 17 . 1 1 21 21 VAL H H 21 8.203 8.203 8.454 -0.251 25913 3692 1 17 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.648 -0.589 25913 3693 1 17 . 1 1 22 22 PRO C C 22 175.352 175.352 176.101 -0.749 25913 3694 1 17 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.733 -0.072 25913 3695 1 17 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.298 -0.284 25913 3696 1 17 . 1 1 23 23 ARG N N 23 121.370 121.370 122.707 -1.337 25913 3697 1 17 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.222 0.033 25913 3698 1 17 . 1 1 23 23 ARG C C 23 175.759 175.759 176.650 -0.891 25913 3699 1 17 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.089 -0.037 25913 3700 1 17 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.313 1.573 25913 3701 1 17 . 1 1 23 23 ARG H H 23 8.635 8.635 8.254 0.381 25913 3702 1 17 . 1 1 24 24 LEU N N 24 127.914 127.914 127.238 0.676 25913 3703 1 17 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.840 0.333 25913 3704 1 17 . 1 1 24 24 LEU C C 24 175.774 175.774 176.036 -0.262 25913 3705 1 17 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.482 -5.544 25913 3706 1 17 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.238 2.182 25913 3707 1 17 . 1 1 24 24 LEU H H 24 8.521 8.521 8.712 -0.191 25913 3708 1 17 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.176 0.164 25913 3709 1 17 . 1 1 25 25 PRO C C 25 176.386 176.386 177.019 -0.633 25913 3710 1 17 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.495 -0.828 25913 3711 1 17 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.749 2.927 25913 3712 1 17 . 1 1 26 26 ASP N N 26 122.078 122.078 115.475 6.603 25913 3713 1 17 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.683 -0.296 25913 3714 1 17 . 1 1 26 26 ASP C C 26 175.321 175.321 175.942 -0.621 25913 3715 1 17 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.307 2.048 25913 3716 1 17 . 1 1 26 26 ASP CB C 26 41.066 41.066 43.307 -2.241 25913 3717 1 17 . 1 1 26 26 ASP H H 26 8.752 8.752 7.722 1.030 25913 3718 1 17 . 1 1 27 27 TYR N N 27 117.607 117.607 117.516 0.091 25913 3719 1 17 . 1 1 27 27 TYR HA H 27 3.449 3.449 4.005 -0.556 25913 3720 1 17 . 1 1 27 27 TYR C C 27 173.074 173.074 174.354 -1.280 25913 3721 1 17 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.282 1.155 25913 3722 1 17 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.873 -0.813 25913 3723 1 17 . 1 1 27 27 TYR H H 27 8.666 8.666 8.081 0.586 25913 3724 1 17 . 1 1 28 28 ILE N N 28 111.804 111.804 112.927 -1.123 25913 3725 1 17 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.494 0.281 25913 3726 1 17 . 1 1 28 28 ILE C C 28 175.083 175.083 174.660 0.423 25913 3727 1 17 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.170 -0.601 25913 3728 1 17 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.281 0.826 25913 3729 1 17 . 1 1 28 28 ILE H H 28 6.761 6.761 7.380 -0.619 25913 3730 1 17 . 1 1 29 29 CYS N N 29 126.875 126.875 119.087 7.788 25913 3731 1 17 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.765 -0.357 25913 3732 1 17 . 1 1 29 29 CYS C C 29 175.932 175.932 175.138 0.794 25913 3733 1 17 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.748 0.654 25913 3734 1 17 . 1 1 29 29 CYS CB C 29 32.214 32.214 28.001 4.213 25913 3735 1 17 . 1 1 29 29 CYS H H 29 8.783 8.783 8.749 0.034 25913 3736 1 17 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.427 -0.045 25913 3737 1 17 . 1 1 30 30 PRO C C 30 176.824 176.824 177.242 -0.418 25913 3738 1 17 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.546 -0.506 25913 3739 1 17 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.888 0.456 25913 3740 1 17 . 1 1 31 31 ARG N N 31 124.131 124.131 116.575 7.556 25913 3741 1 17 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.424 -0.123 25913 3742 1 17 . 1 1 31 31 ARG C C 31 177.721 177.721 177.138 0.583 25913 3743 1 17 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.573 0.617 25913 3744 1 17 . 1 1 31 31 ARG CB C 31 31.682 31.682 31.018 0.664 25913 3745 1 17 . 1 1 31 31 ARG H H 31 9.604 9.604 7.703 1.901 25913 3746 1 17 . 1 1 32 32 CYS N N 32 119.758 119.758 113.822 5.936 25913 3747 1 17 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.828 0.011 25913 3748 1 17 . 1 1 32 32 CYS C C 32 176.450 176.450 174.416 2.034 25913 3749 1 17 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.685 1.025 25913 3750 1 17 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.534 3.696 25913 3751 1 17 . 1 1 32 32 CYS H H 32 8.549 8.549 7.743 0.806 25913 3752 1 17 . 1 1 33 33 GLU N N 33 118.109 118.109 119.761 -1.652 25913 3753 1 17 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.058 0.020 25913 3754 1 17 . 1 1 33 33 GLU C C 33 174.739 174.739 176.097 -1.358 25913 3755 1 17 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.559 0.959 25913 3756 1 17 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.463 -0.771 25913 3757 1 17 . 1 1 33 33 GLU H H 33 7.868 7.868 8.231 -0.363 25913 3758 1 17 . 1 1 34 34 SER N N 34 117.224 117.224 114.979 2.245 25913 3759 1 17 . 1 1 34 34 SER HA H 34 4.437 4.437 4.476 -0.039 25913 3760 1 17 . 1 1 34 34 SER C C 34 175.392 175.392 175.612 -0.220 25913 3761 1 17 . 1 1 34 34 SER CA C 34 59.277 59.277 59.604 -0.327 25913 3762 1 17 . 1 1 34 34 SER CB C 34 65.429 65.429 64.337 1.092 25913 3763 1 17 . 1 1 34 34 SER H H 34 8.786 8.786 7.864 0.922 25913 3764 1 17 . 1 1 35 35 GLY N N 35 111.095 111.095 107.492 3.603 25913 3765 1 17 . 1 1 35 35 GLY C C 35 175.730 175.730 174.277 1.453 25913 3766 1 17 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.765 0.476 25913 3767 1 17 . 1 1 35 35 GLY H H 35 8.511 8.511 8.594 -0.083 25913 3768 1 17 . 1 1 36 36 PHE N N 36 126.409 126.409 125.026 1.383 25913 3769 1 17 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.470 0.681 25913 3770 1 17 . 1 1 36 36 PHE C C 36 174.098 174.098 174.674 -0.576 25913 3771 1 17 . 1 1 36 36 PHE CA C 36 55.269 55.269 58.281 -3.012 25913 3772 1 17 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.457 -1.430 25913 3773 1 17 . 1 1 36 36 PHE H H 36 8.850 8.850 7.778 1.072 25913 3774 1 17 . 1 1 37 37 ILE N N 37 117.377 117.377 115.839 1.538 25913 3775 1 17 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.251 0.105 25913 3776 1 17 . 1 1 37 37 ILE C C 37 175.508 175.508 174.734 0.774 25913 3777 1 17 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.645 0.042 25913 3778 1 17 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.628 -1.480 25913 3779 1 17 . 1 1 37 37 ILE H H 37 7.972 7.972 7.803 0.169 25913 3780 1 17 . 1 1 38 38 GLU N N 38 124.869 124.869 122.595 2.274 25913 3781 1 17 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.541 0.344 25913 3782 1 17 . 1 1 38 38 GLU C C 38 174.300 174.300 175.353 -1.053 25913 3783 1 17 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.849 -0.193 25913 3784 1 17 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.226 2.363 25913 3785 1 17 . 1 1 38 38 GLU H H 38 9.131 9.131 8.764 0.367 25913 3786 1 17 . 1 1 39 39 GLU N N 39 127.840 127.840 127.239 0.601 25913 3787 1 17 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.059 0.789 25913 3788 1 17 . 1 1 39 39 GLU C C 39 175.507 175.507 175.520 -0.013 25913 3789 1 17 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.950 0.555 25913 3790 1 17 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.879 1.370 25913 3791 1 17 . 1 1 39 39 GLU H H 39 8.844 8.844 8.626 0.218 25913 3792 1 18 . 1 1 0 0 SER HA H 0 4.525 4.525 4.798 -0.273 25913 3793 1 18 . 1 1 0 0 SER C C 0 174.776 174.776 175.048 -0.272 25913 3794 1 18 . 1 1 0 0 SER CA C 0 58.364 58.364 58.450 -0.086 25913 3795 1 18 . 1 1 0 0 SER CB C 0 64.049 64.049 63.138 0.911 25913 3796 1 18 . 1 1 1 1 MET N N 1 123.174 123.174 122.969 0.205 25913 3797 1 18 . 1 1 1 1 MET HA H 1 4.486 4.486 4.788 -0.302 25913 3798 1 18 . 1 1 1 1 MET C C 1 176.177 176.177 176.163 0.014 25913 3799 1 18 . 1 1 1 1 MET CA C 1 55.804 55.804 55.636 0.168 25913 3800 1 18 . 1 1 1 1 MET CB C 1 32.941 32.941 32.774 0.167 25913 3801 1 18 . 1 1 1 1 MET H H 1 8.592 8.592 8.968 -0.376 25913 3802 1 18 . 1 1 2 2 ALA N N 2 125.785 125.785 121.627 4.158 25913 3803 1 18 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.348 -0.055 25913 3804 1 18 . 1 1 2 2 ALA C C 2 177.812 177.812 176.826 0.986 25913 3805 1 18 . 1 1 2 2 ALA CA C 2 52.809 52.809 52.356 0.453 25913 3806 1 18 . 1 1 2 2 ALA CB C 2 19.224 19.224 20.320 -1.096 25913 3807 1 18 . 1 1 2 2 ALA H H 2 8.337 8.337 7.891 0.446 25913 3808 1 18 . 1 1 3 3 GLU N N 3 120.731 120.731 118.086 2.645 25913 3809 1 18 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.277 -0.021 25913 3810 1 18 . 1 1 3 3 GLU C C 3 176.186 176.186 175.252 0.934 25913 3811 1 18 . 1 1 3 3 GLU CA C 3 56.377 56.377 56.748 -0.372 25913 3812 1 18 . 1 1 3 3 GLU CB C 3 30.549 30.549 30.073 0.476 25913 3813 1 18 . 1 1 3 3 GLU H H 3 8.274 8.274 7.952 0.322 25913 3814 1 18 . 1 1 4 4 ALA N N 4 125.716 125.716 123.386 2.330 25913 3815 1 18 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.082 0.263 25913 3816 1 18 . 1 1 4 4 ALA C C 4 177.530 177.530 176.171 1.359 25913 3817 1 18 . 1 1 4 4 ALA CA C 4 52.413 52.413 53.129 -0.716 25913 3818 1 18 . 1 1 4 4 ALA CB C 4 19.466 19.466 17.361 2.105 25913 3819 1 18 . 1 1 4 4 ALA H H 4 8.271 8.271 8.552 -0.281 25913 3820 1 18 . 1 1 5 5 SER N N 5 117.161 117.161 114.703 2.458 25913 3821 1 18 . 1 1 5 5 SER HA H 5 4.724 4.724 4.566 0.158 25913 3822 1 18 . 1 1 5 5 SER C C 5 172.661 172.661 173.601 -0.940 25913 3823 1 18 . 1 1 5 5 SER CA C 5 56.354 56.354 59.396 -3.042 25913 3824 1 18 . 1 1 5 5 SER CB C 5 63.442 63.442 63.045 0.397 25913 3825 1 18 . 1 1 5 5 SER H H 5 8.259 8.259 8.472 -0.213 25913 3826 1 18 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.436 -0.022 25913 3827 1 18 . 1 1 6 6 PRO C C 6 176.523 176.523 176.237 0.286 25913 3828 1 18 . 1 1 6 6 PRO CA C 6 63.385 63.385 64.233 -0.848 25913 3829 1 18 . 1 1 6 6 PRO CB C 6 32.187 32.187 31.909 0.278 25913 3830 1 18 . 1 1 7 7 HIS N N 7 120.170 120.170 113.869 6.301 25913 3831 1 18 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.772 0.208 25913 3832 1 18 . 1 1 7 7 HIS C C 7 172.577 172.577 172.335 0.242 25913 3833 1 18 . 1 1 7 7 HIS CA C 7 53.492 53.492 53.576 -0.084 25913 3834 1 18 . 1 1 7 7 HIS CB C 7 29.133 29.133 29.607 -0.474 25913 3835 1 18 . 1 1 7 7 HIS H H 7 8.489 8.489 7.467 1.022 25913 3836 1 18 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.704 -0.158 25913 3837 1 18 . 1 1 8 8 PRO C C 8 177.382 177.382 176.247 1.135 25913 3838 1 18 . 1 1 8 8 PRO CA C 8 63.443 63.443 63.267 0.176 25913 3839 1 18 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.728 -0.351 25913 3840 1 18 . 1 1 9 9 GLY N N 9 110.263 110.263 110.838 -0.575 25913 3841 1 18 . 1 1 9 9 GLY C C 9 172.859 172.859 173.417 -0.558 25913 3842 1 18 . 1 1 9 9 GLY CA C 9 45.211 45.211 46.254 -1.043 25913 3843 1 18 . 1 1 9 9 GLY H H 9 8.635 8.635 9.003 -0.368 25913 3844 1 18 . 1 1 10 10 ARG N N 10 121.025 121.025 122.459 -1.434 25913 3845 1 18 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.881 -0.099 25913 3846 1 18 . 1 1 10 10 ARG C C 10 175.125 175.125 174.708 0.417 25913 3847 1 18 . 1 1 10 10 ARG CA C 10 55.356 55.356 55.840 -0.485 25913 3848 1 18 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.711 3.271 25913 3849 1 18 . 1 1 10 10 ARG H H 10 8.229 8.229 8.030 0.199 25913 3850 1 18 . 1 1 11 11 TYR N N 11 121.353 121.353 123.390 -2.037 25913 3851 1 18 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.742 -0.414 25913 3852 1 18 . 1 1 11 11 TYR C C 11 174.229 174.229 174.787 -0.558 25913 3853 1 18 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.032 1.017 25913 3854 1 18 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.571 -0.520 25913 3855 1 18 . 1 1 11 11 TYR H H 11 8.692 8.692 9.376 -0.684 25913 3856 1 18 . 1 1 12 12 PHE N N 12 122.456 122.456 121.916 0.540 25913 3857 1 18 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.300 -0.416 25913 3858 1 18 . 1 1 12 12 PHE C C 12 174.224 174.224 174.684 -0.460 25913 3859 1 18 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.512 0.507 25913 3860 1 18 . 1 1 12 12 PHE CB C 12 44.078 44.078 42.077 2.001 25913 3861 1 18 . 1 1 12 12 PHE H H 12 9.415 9.415 8.966 0.449 25913 3862 1 18 . 1 1 13 13 CYS N N 13 128.438 128.438 128.392 0.046 25913 3863 1 18 . 1 1 13 13 CYS HA H 13 4.653 4.653 5.059 -0.406 25913 3864 1 18 . 1 1 13 13 CYS C C 13 176.686 176.686 175.327 1.359 25913 3865 1 18 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.532 0.796 25913 3866 1 18 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.258 2.962 25913 3867 1 18 . 1 1 13 13 CYS H H 13 7.942 7.942 8.872 -0.930 25913 3868 1 18 . 1 1 14 14 HIS N N 14 126.467 126.467 125.483 0.984 25913 3869 1 18 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.602 -0.279 25913 3870 1 18 . 1 1 14 14 HIS C C 14 175.452 175.452 176.504 -1.052 25913 3871 1 18 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.209 0.527 25913 3872 1 18 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.651 -1.460 25913 3873 1 18 . 1 1 14 14 HIS H H 14 8.971 8.971 9.633 -0.662 25913 3874 1 18 . 1 1 15 15 CYS N N 15 123.882 123.882 117.165 6.717 25913 3875 1 18 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.344 0.098 25913 3876 1 18 . 1 1 15 15 CYS C C 15 176.939 176.939 175.802 1.137 25913 3877 1 18 . 1 1 15 15 CYS CA C 15 61.704 61.704 62.132 -0.428 25913 3878 1 18 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.413 -0.072 25913 3879 1 18 . 1 1 15 15 CYS H H 15 9.195 9.195 8.120 1.075 25913 3880 1 18 . 1 1 16 16 CYS N N 16 124.898 124.898 117.237 7.661 25913 3881 1 18 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.557 -0.559 25913 3882 1 18 . 1 1 16 16 CYS C C 16 175.557 175.557 174.461 1.096 25913 3883 1 18 . 1 1 16 16 CYS CB C 16 30.961 30.961 28.583 2.378 25913 3884 1 18 . 1 1 16 16 CYS H H 16 9.794 9.794 7.857 1.937 25913 3885 1 18 . 1 1 17 17 SER N N 17 114.055 114.055 114.719 -0.664 25913 3886 1 18 . 1 1 17 17 SER HA H 17 3.755 3.755 4.132 -0.377 25913 3887 1 18 . 1 1 17 17 SER C C 17 173.790 173.790 173.198 0.592 25913 3888 1 18 . 1 1 17 17 SER CA C 17 58.868 58.868 59.451 -0.583 25913 3889 1 18 . 1 1 17 17 SER CB C 17 61.703 61.703 60.751 0.952 25913 3890 1 18 . 1 1 17 17 SER H H 17 7.950 7.950 8.017 -0.067 25913 3891 1 18 . 1 1 18 18 VAL N N 18 111.916 111.916 112.971 -1.055 25913 3892 1 18 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.296 0.162 25913 3893 1 18 . 1 1 18 18 VAL C C 18 173.765 173.765 173.428 0.337 25913 3894 1 18 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.448 -0.416 25913 3895 1 18 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.356 1.311 25913 3896 1 18 . 1 1 18 18 VAL H H 18 6.438 6.438 7.083 -0.645 25913 3897 1 18 . 1 1 19 19 GLU N N 19 123.431 123.431 121.795 1.636 25913 3898 1 18 . 1 1 19 19 GLU HA H 19 5.023 5.023 4.916 0.107 25913 3899 1 18 . 1 1 19 19 GLU C C 19 176.506 176.506 176.129 0.377 25913 3900 1 18 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.387 0.431 25913 3901 1 18 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.533 -0.368 25913 3902 1 18 . 1 1 19 19 GLU H H 19 8.346 8.346 8.368 -0.022 25913 3903 1 18 . 1 1 20 20 ILE N N 20 117.751 117.751 121.170 -3.419 25913 3904 1 18 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.665 0.076 25913 3905 1 18 . 1 1 20 20 ILE C C 20 175.511 175.511 173.995 1.516 25913 3906 1 18 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.491 -0.546 25913 3907 1 18 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.855 2.812 25913 3908 1 18 . 1 1 20 20 ILE H H 20 8.537 8.537 9.165 -0.628 25913 3909 1 18 . 1 1 21 21 VAL N N 21 124.220 124.220 122.543 1.677 25913 3910 1 18 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.102 -0.516 25913 3911 1 18 . 1 1 21 21 VAL C C 21 174.640 174.640 173.945 0.695 25913 3912 1 18 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.615 2.103 25913 3913 1 18 . 1 1 21 21 VAL CB C 21 32.503 32.503 33.148 -0.645 25913 3914 1 18 . 1 1 21 21 VAL H H 21 8.203 8.203 8.417 -0.214 25913 3915 1 18 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.674 -0.615 25913 3916 1 18 . 1 1 22 22 PRO C C 22 175.352 175.352 176.155 -0.803 25913 3917 1 18 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.685 -0.024 25913 3918 1 18 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.188 -0.173 25913 3919 1 18 . 1 1 23 23 ARG N N 23 121.370 121.370 123.312 -1.942 25913 3920 1 18 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.201 0.054 25913 3921 1 18 . 1 1 23 23 ARG C C 23 175.759 175.759 177.002 -1.243 25913 3922 1 18 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.061 -0.009 25913 3923 1 18 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.205 1.681 25913 3924 1 18 . 1 1 23 23 ARG H H 23 8.635 8.635 8.169 0.466 25913 3925 1 18 . 1 1 24 24 LEU N N 24 127.914 127.914 127.165 0.749 25913 3926 1 18 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.650 0.523 25913 3927 1 18 . 1 1 24 24 LEU C C 24 175.774 175.774 176.259 -0.485 25913 3928 1 18 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.588 -5.650 25913 3929 1 18 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.099 2.321 25913 3930 1 18 . 1 1 24 24 LEU H H 24 8.521 8.521 8.589 -0.068 25913 3931 1 18 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.195 0.145 25913 3932 1 18 . 1 1 25 25 PRO C C 25 176.386 176.386 176.926 -0.540 25913 3933 1 18 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.939 -1.272 25913 3934 1 18 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.637 3.038 25913 3935 1 18 . 1 1 26 26 ASP N N 26 122.078 122.078 113.666 8.412 25913 3936 1 18 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.700 -0.313 25913 3937 1 18 . 1 1 26 26 ASP C C 26 175.321 175.321 175.413 -0.092 25913 3938 1 18 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.099 2.256 25913 3939 1 18 . 1 1 26 26 ASP CB C 26 41.066 41.066 43.832 -2.766 25913 3940 1 18 . 1 1 26 26 ASP H H 26 8.752 8.752 7.777 0.975 25913 3941 1 18 . 1 1 27 27 TYR N N 27 117.607 117.607 118.365 -0.758 25913 3942 1 18 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.959 -0.510 25913 3943 1 18 . 1 1 27 27 TYR C C 27 173.074 173.074 174.319 -1.245 25913 3944 1 18 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.562 0.875 25913 3945 1 18 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.733 -0.673 25913 3946 1 18 . 1 1 27 27 TYR H H 27 8.666 8.666 7.950 0.716 25913 3947 1 18 . 1 1 28 28 ILE N N 28 111.804 111.804 112.484 -0.680 25913 3948 1 18 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.558 0.217 25913 3949 1 18 . 1 1 28 28 ILE C C 28 175.083 175.083 174.763 0.320 25913 3950 1 18 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.521 -0.952 25913 3951 1 18 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.022 1.085 25913 3952 1 18 . 1 1 28 28 ILE H H 28 6.761 6.761 7.335 -0.574 25913 3953 1 18 . 1 1 29 29 CYS N N 29 126.875 126.875 118.837 8.038 25913 3954 1 18 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.755 -0.347 25913 3955 1 18 . 1 1 29 29 CYS C C 29 175.932 175.932 175.164 0.768 25913 3956 1 18 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.885 0.517 25913 3957 1 18 . 1 1 29 29 CYS CB C 29 32.214 32.214 27.906 4.308 25913 3958 1 18 . 1 1 29 29 CYS H H 29 8.783 8.783 8.698 0.085 25913 3959 1 18 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.439 -0.057 25913 3960 1 18 . 1 1 30 30 PRO C C 30 176.824 176.824 177.210 -0.386 25913 3961 1 18 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.452 -0.412 25913 3962 1 18 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.920 0.424 25913 3963 1 18 . 1 1 31 31 ARG N N 31 124.131 124.131 117.077 7.054 25913 3964 1 18 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.437 -0.136 25913 3965 1 18 . 1 1 31 31 ARG C C 31 177.721 177.721 177.165 0.556 25913 3966 1 18 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.825 0.365 25913 3967 1 18 . 1 1 31 31 ARG CB C 31 31.682 31.682 30.885 0.797 25913 3968 1 18 . 1 1 31 31 ARG H H 31 9.604 9.604 7.657 1.947 25913 3969 1 18 . 1 1 32 32 CYS N N 32 119.758 119.758 114.151 5.607 25913 3970 1 18 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.842 -0.003 25913 3971 1 18 . 1 1 32 32 CYS C C 32 176.450 176.450 174.611 1.839 25913 3972 1 18 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.534 1.176 25913 3973 1 18 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.019 4.211 25913 3974 1 18 . 1 1 32 32 CYS H H 32 8.549 8.549 7.781 0.768 25913 3975 1 18 . 1 1 33 33 GLU N N 33 118.109 118.109 119.866 -1.757 25913 3976 1 18 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.098 -0.020 25913 3977 1 18 . 1 1 33 33 GLU C C 33 174.739 174.739 176.075 -1.336 25913 3978 1 18 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.546 0.972 25913 3979 1 18 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.186 -0.494 25913 3980 1 18 . 1 1 33 33 GLU H H 33 7.868 7.868 8.201 -0.333 25913 3981 1 18 . 1 1 34 34 SER N N 34 117.224 117.224 114.997 2.227 25913 3982 1 18 . 1 1 34 34 SER HA H 34 4.437 4.437 4.471 -0.034 25913 3983 1 18 . 1 1 34 34 SER C C 34 175.392 175.392 175.630 -0.238 25913 3984 1 18 . 1 1 34 34 SER CA C 34 59.277 59.277 59.782 -0.505 25913 3985 1 18 . 1 1 34 34 SER CB C 34 65.429 65.429 64.362 1.067 25913 3986 1 18 . 1 1 34 34 SER H H 34 8.786 8.786 7.983 0.803 25913 3987 1 18 . 1 1 35 35 GLY N N 35 111.095 111.095 108.188 2.907 25913 3988 1 18 . 1 1 35 35 GLY C C 35 175.730 175.730 174.748 0.982 25913 3989 1 18 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.705 0.536 25913 3990 1 18 . 1 1 35 35 GLY H H 35 8.511 8.511 8.464 0.047 25913 3991 1 18 . 1 1 36 36 PHE N N 36 126.409 126.409 124.889 1.520 25913 3992 1 18 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.487 0.664 25913 3993 1 18 . 1 1 36 36 PHE C C 36 174.098 174.098 174.652 -0.554 25913 3994 1 18 . 1 1 36 36 PHE CA C 36 55.269 55.269 58.152 -2.883 25913 3995 1 18 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.072 -1.046 25913 3996 1 18 . 1 1 36 36 PHE H H 36 8.850 8.850 7.909 0.941 25913 3997 1 18 . 1 1 37 37 ILE N N 37 117.377 117.377 115.138 2.239 25913 3998 1 18 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.471 -0.115 25913 3999 1 18 . 1 1 37 37 ILE C C 37 175.508 175.508 175.028 0.480 25913 4000 1 18 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.507 0.180 25913 4001 1 18 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.536 -1.388 25913 4002 1 18 . 1 1 37 37 ILE H H 37 7.972 7.972 7.968 0.004 25913 4003 1 18 . 1 1 38 38 GLU N N 38 124.869 124.869 122.999 1.870 25913 4004 1 18 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.580 0.305 25913 4005 1 18 . 1 1 38 38 GLU C C 38 174.300 174.300 175.340 -1.040 25913 4006 1 18 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.919 -0.263 25913 4007 1 18 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.195 2.394 25913 4008 1 18 . 1 1 38 38 GLU H H 38 9.131 9.131 8.818 0.313 25913 4009 1 18 . 1 1 39 39 GLU N N 39 127.840 127.840 127.214 0.626 25913 4010 1 18 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.182 0.666 25913 4011 1 18 . 1 1 39 39 GLU C C 39 175.507 175.507 175.619 -0.112 25913 4012 1 18 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.744 0.761 25913 4013 1 18 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.832 1.417 25913 4014 1 18 . 1 1 39 39 GLU H H 39 8.844 8.844 8.658 0.186 25913 4015 1 19 . 1 1 0 0 SER HA H 0 4.525 4.525 4.490 0.035 25913 4016 1 19 . 1 1 0 0 SER C C 0 174.776 174.776 174.436 0.340 25913 4017 1 19 . 1 1 0 0 SER CA C 0 58.364 58.364 58.556 -0.192 25913 4018 1 19 . 1 1 0 0 SER CB C 0 64.049 64.049 64.166 -0.117 25913 4019 1 19 . 1 1 1 1 MET N N 1 123.174 123.174 118.090 5.084 25913 4020 1 19 . 1 1 1 1 MET HA H 1 4.486 4.486 4.887 -0.401 25913 4021 1 19 . 1 1 1 1 MET C C 1 176.177 176.177 174.328 1.849 25913 4022 1 19 . 1 1 1 1 MET CA C 1 55.804 55.804 54.443 1.361 25913 4023 1 19 . 1 1 1 1 MET CB C 1 32.941 32.941 35.938 -2.997 25913 4024 1 19 . 1 1 1 1 MET H H 1 8.592 8.592 7.417 1.175 25913 4025 1 19 . 1 1 2 2 ALA N N 2 125.785 125.785 121.200 4.585 25913 4026 1 19 . 1 1 2 2 ALA HA H 2 4.293 4.293 5.059 -0.766 25913 4027 1 19 . 1 1 2 2 ALA C C 2 177.812 177.812 176.678 1.134 25913 4028 1 19 . 1 1 2 2 ALA CA C 2 52.809 52.809 51.509 1.300 25913 4029 1 19 . 1 1 2 2 ALA CB C 2 19.224 19.224 19.856 -0.632 25913 4030 1 19 . 1 1 2 2 ALA H H 2 8.337 8.337 8.411 -0.074 25913 4031 1 19 . 1 1 3 3 GLU N N 3 120.731 120.731 118.981 1.750 25913 4032 1 19 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.483 -0.227 25913 4033 1 19 . 1 1 3 3 GLU C C 3 176.186 176.186 176.263 -0.077 25913 4034 1 19 . 1 1 3 3 GLU CA C 3 56.377 56.377 55.344 1.033 25913 4035 1 19 . 1 1 3 3 GLU CB C 3 30.549 30.549 30.911 -0.362 25913 4036 1 19 . 1 1 3 3 GLU H H 3 8.274 8.274 7.699 0.575 25913 4037 1 19 . 1 1 4 4 ALA N N 4 125.716 125.716 125.653 0.063 25913 4038 1 19 . 1 1 4 4 ALA HA H 4 4.345 4.345 3.996 0.349 25913 4039 1 19 . 1 1 4 4 ALA C C 4 177.530 177.530 177.282 0.248 25913 4040 1 19 . 1 1 4 4 ALA CA C 4 52.413 52.413 54.597 -2.184 25913 4041 1 19 . 1 1 4 4 ALA CB C 4 19.466 19.466 17.835 1.631 25913 4042 1 19 . 1 1 4 4 ALA H H 4 8.271 8.271 8.711 -0.441 25913 4043 1 19 . 1 1 5 5 SER N N 5 117.161 117.161 114.949 2.212 25913 4044 1 19 . 1 1 5 5 SER HA H 5 4.724 4.724 4.678 0.046 25913 4045 1 19 . 1 1 5 5 SER C C 5 172.661 172.661 172.842 -0.181 25913 4046 1 19 . 1 1 5 5 SER CA C 5 56.354 56.354 58.184 -1.830 25913 4047 1 19 . 1 1 5 5 SER CB C 5 63.442 63.442 64.039 -0.597 25913 4048 1 19 . 1 1 5 5 SER H H 5 8.259 8.259 8.191 0.068 25913 4049 1 19 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.480 -0.066 25913 4050 1 19 . 1 1 6 6 PRO C C 6 176.523 176.523 175.447 1.076 25913 4051 1 19 . 1 1 6 6 PRO CA C 6 63.385 63.385 64.030 -0.645 25913 4052 1 19 . 1 1 6 6 PRO CB C 6 32.187 32.187 32.009 0.178 25913 4053 1 19 . 1 1 7 7 HIS N N 7 120.170 120.170 119.446 0.724 25913 4054 1 19 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.899 0.081 25913 4055 1 19 . 1 1 7 7 HIS C C 7 172.577 172.577 173.489 -0.912 25913 4056 1 19 . 1 1 7 7 HIS CA C 7 53.492 53.492 53.159 0.333 25913 4057 1 19 . 1 1 7 7 HIS CB C 7 29.133 29.133 30.843 -1.710 25913 4058 1 19 . 1 1 7 7 HIS H H 7 8.489 8.489 8.092 0.397 25913 4059 1 19 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.668 -0.122 25913 4060 1 19 . 1 1 8 8 PRO C C 8 177.382 177.382 176.180 1.202 25913 4061 1 19 . 1 1 8 8 PRO CA C 8 63.443 63.443 62.387 1.056 25913 4062 1 19 . 1 1 8 8 PRO CB C 8 32.377 32.377 33.113 -0.736 25913 4063 1 19 . 1 1 9 9 GLY N N 9 110.263 110.263 107.064 3.199 25913 4064 1 19 . 1 1 9 9 GLY C C 9 172.859 172.859 173.496 -0.637 25913 4065 1 19 . 1 1 9 9 GLY CA C 9 45.211 45.211 45.895 -0.684 25913 4066 1 19 . 1 1 9 9 GLY H H 9 8.635 8.635 8.873 -0.238 25913 4067 1 19 . 1 1 10 10 ARG N N 10 121.025 121.025 123.255 -2.230 25913 4068 1 19 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.643 0.139 25913 4069 1 19 . 1 1 10 10 ARG C C 10 175.125 175.125 174.826 0.299 25913 4070 1 19 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.226 -0.870 25913 4071 1 19 . 1 1 10 10 ARG CB C 10 32.982 32.982 28.969 4.013 25913 4072 1 19 . 1 1 10 10 ARG H H 10 8.229 8.229 7.924 0.305 25913 4073 1 19 . 1 1 11 11 TYR N N 11 121.353 121.353 123.878 -2.525 25913 4074 1 19 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.639 -0.311 25913 4075 1 19 . 1 1 11 11 TYR C C 11 174.229 174.229 174.693 -0.464 25913 4076 1 19 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.184 0.866 25913 4077 1 19 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.459 -0.408 25913 4078 1 19 . 1 1 11 11 TYR H H 11 8.692 8.692 9.362 -0.670 25913 4079 1 19 . 1 1 12 12 PHE N N 12 122.456 122.456 122.347 0.109 25913 4080 1 19 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.312 -0.428 25913 4081 1 19 . 1 1 12 12 PHE C C 12 174.224 174.224 174.790 -0.566 25913 4082 1 19 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.416 0.603 25913 4083 1 19 . 1 1 12 12 PHE CB C 12 44.078 44.078 41.925 2.153 25913 4084 1 19 . 1 1 12 12 PHE H H 12 9.415 9.415 9.141 0.274 25913 4085 1 19 . 1 1 13 13 CYS N N 13 128.438 128.438 128.521 -0.083 25913 4086 1 19 . 1 1 13 13 CYS HA H 13 4.653 4.653 5.017 -0.364 25913 4087 1 19 . 1 1 13 13 CYS C C 13 176.686 176.686 175.323 1.363 25913 4088 1 19 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.669 0.659 25913 4089 1 19 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.072 3.148 25913 4090 1 19 . 1 1 13 13 CYS H H 13 7.942 7.942 8.963 -1.020 25913 4091 1 19 . 1 1 14 14 HIS N N 14 126.467 126.467 125.770 0.697 25913 4092 1 19 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.589 -0.266 25913 4093 1 19 . 1 1 14 14 HIS C C 14 175.452 175.452 176.246 -0.794 25913 4094 1 19 . 1 1 14 14 HIS CA C 14 58.736 58.736 57.942 0.794 25913 4095 1 19 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.601 -1.410 25913 4096 1 19 . 1 1 14 14 HIS H H 14 8.971 8.971 9.460 -0.489 25913 4097 1 19 . 1 1 15 15 CYS N N 15 123.882 123.882 117.581 6.301 25913 4098 1 19 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.343 0.099 25913 4099 1 19 . 1 1 15 15 CYS C C 15 176.939 176.939 175.751 1.188 25913 4100 1 19 . 1 1 15 15 CYS CA C 15 61.704 61.704 62.002 -0.298 25913 4101 1 19 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.704 -0.363 25913 4102 1 19 . 1 1 15 15 CYS H H 15 9.195 9.195 8.291 0.904 25913 4103 1 19 . 1 1 16 16 CYS N N 16 124.898 124.898 118.969 5.929 25913 4104 1 19 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.569 -0.571 25913 4105 1 19 . 1 1 16 16 CYS C C 16 175.557 175.557 174.628 0.929 25913 4106 1 19 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.932 3.029 25913 4107 1 19 . 1 1 16 16 CYS H H 16 9.794 9.794 8.002 1.792 25913 4108 1 19 . 1 1 17 17 SER N N 17 114.055 114.055 114.771 -0.716 25913 4109 1 19 . 1 1 17 17 SER HA H 17 3.755 3.755 4.095 -0.340 25913 4110 1 19 . 1 1 17 17 SER C C 17 173.790 173.790 173.262 0.528 25913 4111 1 19 . 1 1 17 17 SER CA C 17 58.868 58.868 59.520 -0.652 25913 4112 1 19 . 1 1 17 17 SER CB C 17 61.703 61.703 60.632 1.071 25913 4113 1 19 . 1 1 17 17 SER H H 17 7.950 7.950 8.078 -0.128 25913 4114 1 19 . 1 1 18 18 VAL N N 18 111.916 111.916 112.812 -0.896 25913 4115 1 19 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.269 0.189 25913 4116 1 19 . 1 1 18 18 VAL C C 18 173.765 173.765 173.583 0.182 25913 4117 1 19 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.648 -0.616 25913 4118 1 19 . 1 1 18 18 VAL CB C 18 36.667 36.667 34.851 1.816 25913 4119 1 19 . 1 1 18 18 VAL H H 18 6.438 6.438 7.038 -0.600 25913 4120 1 19 . 1 1 19 19 GLU N N 19 123.431 123.431 121.611 1.820 25913 4121 1 19 . 1 1 19 19 GLU HA H 19 5.023 5.023 5.162 -0.139 25913 4122 1 19 . 1 1 19 19 GLU C C 19 176.506 176.506 176.248 0.258 25913 4123 1 19 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.118 0.700 25913 4124 1 19 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.587 -0.422 25913 4125 1 19 . 1 1 19 19 GLU H H 19 8.346 8.346 8.417 -0.071 25913 4126 1 19 . 1 1 20 20 ILE N N 20 117.751 117.751 121.309 -3.558 25913 4127 1 19 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.748 -0.007 25913 4128 1 19 . 1 1 20 20 ILE C C 20 175.511 175.511 173.760 1.751 25913 4129 1 19 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.481 -0.536 25913 4130 1 19 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.583 3.084 25913 4131 1 19 . 1 1 20 20 ILE H H 20 8.537 8.537 8.899 -0.362 25913 4132 1 19 . 1 1 21 21 VAL N N 21 124.220 124.220 121.978 2.242 25913 4133 1 19 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.201 -0.615 25913 4134 1 19 . 1 1 21 21 VAL C C 21 174.640 174.640 174.125 0.515 25913 4135 1 19 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.907 1.811 25913 4136 1 19 . 1 1 21 21 VAL CB C 21 32.503 32.503 33.452 -0.949 25913 4137 1 19 . 1 1 21 21 VAL H H 21 8.203 8.203 8.382 -0.179 25913 4138 1 19 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.732 -0.673 25913 4139 1 19 . 1 1 22 22 PRO C C 22 175.352 175.352 176.131 -0.779 25913 4140 1 19 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.541 0.120 25913 4141 1 19 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.440 -0.426 25913 4142 1 19 . 1 1 23 23 ARG N N 23 121.370 121.370 122.482 -1.112 25913 4143 1 19 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.293 -0.038 25913 4144 1 19 . 1 1 23 23 ARG C C 23 175.759 175.759 176.604 -0.845 25913 4145 1 19 . 1 1 23 23 ARG CA C 23 56.052 56.052 55.891 0.161 25913 4146 1 19 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.220 1.666 25913 4147 1 19 . 1 1 23 23 ARG H H 23 8.635 8.635 8.242 0.393 25913 4148 1 19 . 1 1 24 24 LEU N N 24 127.914 127.914 127.050 0.864 25913 4149 1 19 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.725 0.448 25913 4150 1 19 . 1 1 24 24 LEU C C 24 175.774 175.774 176.175 -0.401 25913 4151 1 19 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.473 -5.535 25913 4152 1 19 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.035 2.385 25913 4153 1 19 . 1 1 24 24 LEU H H 24 8.521 8.521 8.707 -0.186 25913 4154 1 19 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.157 0.183 25913 4155 1 19 . 1 1 25 25 PRO C C 25 176.386 176.386 177.252 -0.866 25913 4156 1 19 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.845 -1.178 25913 4157 1 19 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.781 2.895 25913 4158 1 19 . 1 1 26 26 ASP N N 26 122.078 122.078 113.529 8.549 25913 4159 1 19 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.693 -0.306 25913 4160 1 19 . 1 1 26 26 ASP C C 26 175.321 175.321 175.673 -0.352 25913 4161 1 19 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.390 1.965 25913 4162 1 19 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.109 -1.043 25913 4163 1 19 . 1 1 26 26 ASP H H 26 8.752 8.752 7.774 0.978 25913 4164 1 19 . 1 1 27 27 TYR N N 27 117.607 117.607 118.200 -0.593 25913 4165 1 19 . 1 1 27 27 TYR HA H 27 3.449 3.449 4.029 -0.580 25913 4166 1 19 . 1 1 27 27 TYR C C 27 173.074 173.074 174.240 -1.166 25913 4167 1 19 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.026 1.411 25913 4168 1 19 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.855 -0.795 25913 4169 1 19 . 1 1 27 27 TYR H H 27 8.666 8.666 8.065 0.601 25913 4170 1 19 . 1 1 28 28 ILE N N 28 111.804 111.804 112.361 -0.557 25913 4171 1 19 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.532 0.243 25913 4172 1 19 . 1 1 28 28 ILE C C 28 175.083 175.083 174.668 0.415 25913 4173 1 19 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.759 -1.190 25913 4174 1 19 . 1 1 28 28 ILE CB C 28 42.107 42.107 40.878 1.229 25913 4175 1 19 . 1 1 28 28 ILE H H 28 6.761 6.761 7.372 -0.611 25913 4176 1 19 . 1 1 29 29 CYS N N 29 126.875 126.875 118.902 7.973 25913 4177 1 19 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.769 -0.361 25913 4178 1 19 . 1 1 29 29 CYS C C 29 175.932 175.932 175.051 0.881 25913 4179 1 19 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.908 0.494 25913 4180 1 19 . 1 1 29 29 CYS CB C 29 32.214 32.214 28.034 4.180 25913 4181 1 19 . 1 1 29 29 CYS H H 29 8.783 8.783 8.751 0.032 25913 4182 1 19 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.477 -0.095 25913 4183 1 19 . 1 1 30 30 PRO C C 30 176.824 176.824 177.337 -0.513 25913 4184 1 19 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.409 -0.369 25913 4185 1 19 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.838 0.506 25913 4186 1 19 . 1 1 31 31 ARG N N 31 124.131 124.131 117.830 6.301 25913 4187 1 19 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.456 -0.155 25913 4188 1 19 . 1 1 31 31 ARG C C 31 177.721 177.721 177.212 0.509 25913 4189 1 19 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.913 0.277 25913 4190 1 19 . 1 1 31 31 ARG CB C 31 31.682 31.682 30.904 0.778 25913 4191 1 19 . 1 1 31 31 ARG H H 31 9.604 9.604 7.684 1.920 25913 4192 1 19 . 1 1 32 32 CYS N N 32 119.758 119.758 114.144 5.614 25913 4193 1 19 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.838 0.001 25913 4194 1 19 . 1 1 32 32 CYS C C 32 176.450 176.450 174.507 1.943 25913 4195 1 19 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.558 1.152 25913 4196 1 19 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.062 4.168 25913 4197 1 19 . 1 1 32 32 CYS H H 32 8.549 8.549 7.791 0.758 25913 4198 1 19 . 1 1 33 33 GLU N N 33 118.109 118.109 119.636 -1.527 25913 4199 1 19 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.078 -0.000 25913 4200 1 19 . 1 1 33 33 GLU C C 33 174.739 174.739 176.027 -1.288 25913 4201 1 19 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.538 0.980 25913 4202 1 19 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.198 -0.506 25913 4203 1 19 . 1 1 33 33 GLU H H 33 7.868 7.868 8.150 -0.282 25913 4204 1 19 . 1 1 34 34 SER N N 34 117.224 117.224 114.895 2.329 25913 4205 1 19 . 1 1 34 34 SER HA H 34 4.437 4.437 4.503 -0.066 25913 4206 1 19 . 1 1 34 34 SER C C 34 175.392 175.392 175.496 -0.104 25913 4207 1 19 . 1 1 34 34 SER CA C 34 59.277 59.277 59.714 -0.437 25913 4208 1 19 . 1 1 34 34 SER CB C 34 65.429 65.429 64.500 0.929 25913 4209 1 19 . 1 1 34 34 SER H H 34 8.786 8.786 7.937 0.849 25913 4210 1 19 . 1 1 35 35 GLY N N 35 111.095 111.095 107.736 3.359 25913 4211 1 19 . 1 1 35 35 GLY C C 35 175.730 175.730 174.287 1.443 25913 4212 1 19 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.590 0.652 25913 4213 1 19 . 1 1 35 35 GLY H H 35 8.511 8.511 8.445 0.066 25913 4214 1 19 . 1 1 36 36 PHE N N 36 126.409 126.409 125.029 1.380 25913 4215 1 19 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.407 0.744 25913 4216 1 19 . 1 1 36 36 PHE C C 36 174.098 174.098 174.727 -0.629 25913 4217 1 19 . 1 1 36 36 PHE CA C 36 55.269 55.269 59.093 -3.824 25913 4218 1 19 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.619 -1.592 25913 4219 1 19 . 1 1 36 36 PHE H H 36 8.850 8.850 7.636 1.214 25913 4220 1 19 . 1 1 37 37 ILE N N 37 117.377 117.377 115.959 1.418 25913 4221 1 19 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.329 0.027 25913 4222 1 19 . 1 1 37 37 ILE C C 37 175.508 175.508 174.739 0.769 25913 4223 1 19 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.717 -0.030 25913 4224 1 19 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.548 -1.400 25913 4225 1 19 . 1 1 37 37 ILE H H 37 7.972 7.972 7.838 0.134 25913 4226 1 19 . 1 1 38 38 GLU N N 38 124.869 124.869 123.104 1.765 25913 4227 1 19 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.592 0.293 25913 4228 1 19 . 1 1 38 38 GLU C C 38 174.300 174.300 175.357 -1.057 25913 4229 1 19 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.877 -0.221 25913 4230 1 19 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.436 2.153 25913 4231 1 19 . 1 1 38 38 GLU H H 38 9.131 9.131 8.877 0.254 25913 4232 1 19 . 1 1 39 39 GLU N N 39 127.840 127.840 126.801 1.039 25913 4233 1 19 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.241 0.607 25913 4234 1 19 . 1 1 39 39 GLU C C 39 175.507 175.507 175.558 -0.051 25913 4235 1 19 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.844 0.661 25913 4236 1 19 . 1 1 39 39 GLU CB C 39 30.249 30.249 29.118 1.131 25913 4237 1 19 . 1 1 39 39 GLU H H 39 8.844 8.844 8.639 0.205 25913 4238 1 20 . 1 1 0 0 SER HA H 0 4.525 4.525 4.559 -0.034 25913 4239 1 20 . 1 1 0 0 SER C C 0 174.776 174.776 175.130 -0.354 25913 4240 1 20 . 1 1 0 0 SER CA C 0 58.364 58.364 59.868 -1.504 25913 4241 1 20 . 1 1 0 0 SER CB C 0 64.049 64.049 63.609 0.440 25913 4242 1 20 . 1 1 1 1 MET N N 1 123.174 123.174 119.425 3.749 25913 4243 1 20 . 1 1 1 1 MET HA H 1 4.486 4.486 4.076 0.410 25913 4244 1 20 . 1 1 1 1 MET C C 1 176.177 176.177 175.338 0.839 25913 4245 1 20 . 1 1 1 1 MET CA C 1 55.804 55.804 56.741 -0.937 25913 4246 1 20 . 1 1 1 1 MET CB C 1 32.941 32.941 30.770 2.171 25913 4247 1 20 . 1 1 1 1 MET H H 1 8.592 8.592 8.639 -0.047 25913 4248 1 20 . 1 1 2 2 ALA N N 2 125.785 125.785 120.297 5.488 25913 4249 1 20 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.430 -0.137 25913 4250 1 20 . 1 1 2 2 ALA C C 2 177.812 177.812 177.477 0.335 25913 4251 1 20 . 1 1 2 2 ALA CA C 2 52.809 52.809 52.489 0.320 25913 4252 1 20 . 1 1 2 2 ALA CB C 2 19.224 19.224 20.265 -1.041 25913 4253 1 20 . 1 1 2 2 ALA H H 2 8.337 8.337 7.682 0.655 25913 4254 1 20 . 1 1 3 3 GLU N N 3 120.731 120.731 120.466 0.265 25913 4255 1 20 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.275 -0.019 25913 4256 1 20 . 1 1 3 3 GLU C C 3 176.186 176.186 175.646 0.540 25913 4257 1 20 . 1 1 3 3 GLU CA C 3 56.377 56.377 56.131 0.246 25913 4258 1 20 . 1 1 3 3 GLU CB C 3 30.549 30.549 28.491 2.058 25913 4259 1 20 . 1 1 3 3 GLU H H 3 8.274 8.274 8.037 0.237 25913 4260 1 20 . 1 1 4 4 ALA N N 4 125.716 125.716 126.930 -1.214 25913 4261 1 20 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.640 -0.295 25913 4262 1 20 . 1 1 4 4 ALA C C 4 177.530 177.530 176.641 0.889 25913 4263 1 20 . 1 1 4 4 ALA CA C 4 52.413 52.413 51.999 0.414 25913 4264 1 20 . 1 1 4 4 ALA CB C 4 19.466 19.466 19.809 -0.343 25913 4265 1 20 . 1 1 4 4 ALA H H 4 8.271 8.271 7.850 0.421 25913 4266 1 20 . 1 1 5 5 SER N N 5 117.161 117.161 115.318 1.843 25913 4267 1 20 . 1 1 5 5 SER HA H 5 4.724 4.724 4.714 0.010 25913 4268 1 20 . 1 1 5 5 SER C C 5 172.661 172.661 173.441 -0.780 25913 4269 1 20 . 1 1 5 5 SER CA C 5 56.354 56.354 55.605 0.749 25913 4270 1 20 . 1 1 5 5 SER CB C 5 63.442 63.442 63.550 -0.108 25913 4271 1 20 . 1 1 5 5 SER H H 5 8.259 8.259 7.600 0.659 25913 4272 1 20 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.426 -0.012 25913 4273 1 20 . 1 1 6 6 PRO C C 6 176.523 176.523 176.268 0.255 25913 4274 1 20 . 1 1 6 6 PRO CA C 6 63.385 63.385 64.025 -0.640 25913 4275 1 20 . 1 1 6 6 PRO CB C 6 32.187 32.187 32.244 -0.057 25913 4276 1 20 . 1 1 7 7 HIS N N 7 120.170 120.170 114.341 5.829 25913 4277 1 20 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.929 0.051 25913 4278 1 20 . 1 1 7 7 HIS C C 7 172.577 172.577 173.856 -1.279 25913 4279 1 20 . 1 1 7 7 HIS CA C 7 53.492 53.492 52.707 0.785 25913 4280 1 20 . 1 1 7 7 HIS CB C 7 29.133 29.133 29.614 -0.481 25913 4281 1 20 . 1 1 7 7 HIS H H 7 8.489 8.489 7.347 1.142 25913 4282 1 20 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.390 0.156 25913 4283 1 20 . 1 1 8 8 PRO C C 8 177.382 177.382 177.935 -0.553 25913 4284 1 20 . 1 1 8 8 PRO CA C 8 63.443 63.443 63.603 -0.160 25913 4285 1 20 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.629 -0.252 25913 4286 1 20 . 1 1 9 9 GLY N N 9 110.263 110.263 106.246 4.017 25913 4287 1 20 . 1 1 9 9 GLY C C 9 172.859 172.859 173.680 -0.821 25913 4288 1 20 . 1 1 9 9 GLY CA C 9 45.211 45.211 45.180 0.031 25913 4289 1 20 . 1 1 9 9 GLY H H 9 8.635 8.635 8.555 0.080 25913 4290 1 20 . 1 1 10 10 ARG N N 10 121.025 121.025 123.203 -2.178 25913 4291 1 20 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.542 0.240 25913 4292 1 20 . 1 1 10 10 ARG C C 10 175.125 175.125 174.800 0.325 25913 4293 1 20 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.487 -1.131 25913 4294 1 20 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.067 3.914 25913 4295 1 20 . 1 1 10 10 ARG H H 10 8.229 8.229 8.105 0.124 25913 4296 1 20 . 1 1 11 11 TYR N N 11 121.353 121.353 123.695 -2.342 25913 4297 1 20 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.737 -0.409 25913 4298 1 20 . 1 1 11 11 TYR C C 11 174.229 174.229 174.731 -0.502 25913 4299 1 20 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.006 1.043 25913 4300 1 20 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.592 -0.541 25913 4301 1 20 . 1 1 11 11 TYR H H 11 8.692 8.692 9.343 -0.651 25913 4302 1 20 . 1 1 12 12 PHE N N 12 122.456 122.456 122.186 0.270 25913 4303 1 20 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.360 -0.476 25913 4304 1 20 . 1 1 12 12 PHE C C 12 174.224 174.224 174.803 -0.579 25913 4305 1 20 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.353 0.666 25913 4306 1 20 . 1 1 12 12 PHE CB C 12 44.078 44.078 42.009 2.069 25913 4307 1 20 . 1 1 12 12 PHE H H 12 9.415 9.415 9.121 0.294 25913 4308 1 20 . 1 1 13 13 CYS N N 13 128.438 128.438 128.580 -0.142 25913 4309 1 20 . 1 1 13 13 CYS HA H 13 4.653 4.653 4.962 -0.309 25913 4310 1 20 . 1 1 13 13 CYS C C 13 176.686 176.686 175.445 1.241 25913 4311 1 20 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.569 0.759 25913 4312 1 20 . 1 1 13 13 CYS CB C 13 31.220 31.220 27.909 3.311 25913 4313 1 20 . 1 1 13 13 CYS H H 13 7.942 7.942 8.792 -0.850 25913 4314 1 20 . 1 1 14 14 HIS N N 14 126.467 126.467 126.018 0.449 25913 4315 1 20 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.447 -0.124 25913 4316 1 20 . 1 1 14 14 HIS C C 14 175.452 175.452 176.732 -1.280 25913 4317 1 20 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.624 0.112 25913 4318 1 20 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.350 -1.159 25913 4319 1 20 . 1 1 14 14 HIS H H 14 8.971 8.971 9.537 -0.566 25913 4320 1 20 . 1 1 15 15 CYS N N 15 123.882 123.882 118.524 5.358 25913 4321 1 20 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.271 0.171 25913 4322 1 20 . 1 1 15 15 CYS C C 15 176.939 176.939 176.248 0.691 25913 4323 1 20 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.645 0.059 25913 4324 1 20 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.898 -0.557 25913 4325 1 20 . 1 1 15 15 CYS H H 15 9.195 9.195 8.231 0.964 25913 4326 1 20 . 1 1 16 16 CYS N N 16 124.898 124.898 121.418 3.480 25913 4327 1 20 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.461 -0.463 25913 4328 1 20 . 1 1 16 16 CYS C C 16 175.557 175.557 174.893 0.664 25913 4329 1 20 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.153 3.808 25913 4330 1 20 . 1 1 16 16 CYS H H 16 9.794 9.794 8.150 1.644 25913 4331 1 20 . 1 1 17 17 SER N N 17 114.055 114.055 113.669 0.386 25913 4332 1 20 . 1 1 17 17 SER HA H 17 3.755 3.755 4.044 -0.289 25913 4333 1 20 . 1 1 17 17 SER C C 17 173.790 173.790 173.207 0.583 25913 4334 1 20 . 1 1 17 17 SER CA C 17 58.868 58.868 59.648 -0.780 25913 4335 1 20 . 1 1 17 17 SER CB C 17 61.703 61.703 60.435 1.268 25913 4336 1 20 . 1 1 17 17 SER H H 17 7.950 7.950 8.249 -0.299 25913 4337 1 20 . 1 1 18 18 VAL N N 18 111.916 111.916 112.098 -0.182 25913 4338 1 20 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.334 0.124 25913 4339 1 20 . 1 1 18 18 VAL C C 18 173.765 173.765 173.778 -0.013 25913 4340 1 20 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.130 -0.098 25913 4341 1 20 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.387 1.280 25913 4342 1 20 . 1 1 18 18 VAL H H 18 6.438 6.438 6.978 -0.540 25913 4343 1 20 . 1 1 19 19 GLU N N 19 123.431 123.431 123.245 0.186 25913 4344 1 20 . 1 1 19 19 GLU HA H 19 5.023 5.023 5.159 -0.136 25913 4345 1 20 . 1 1 19 19 GLU C C 19 176.506 176.506 175.718 0.788 25913 4346 1 20 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.329 0.489 25913 4347 1 20 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.694 -0.529 25913 4348 1 20 . 1 1 19 19 GLU H H 19 8.346 8.346 8.376 -0.030 25913 4349 1 20 . 1 1 20 20 ILE N N 20 117.751 117.751 122.164 -4.413 25913 4350 1 20 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.685 0.056 25913 4351 1 20 . 1 1 20 20 ILE C C 20 175.511 175.511 173.879 1.632 25913 4352 1 20 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.578 -0.633 25913 4353 1 20 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.867 2.800 25913 4354 1 20 . 1 1 20 20 ILE H H 20 8.537 8.537 8.968 -0.431 25913 4355 1 20 . 1 1 21 21 VAL N N 21 124.220 124.220 121.707 2.513 25913 4356 1 20 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.192 -0.606 25913 4357 1 20 . 1 1 21 21 VAL C C 21 174.640 174.640 174.076 0.564 25913 4358 1 20 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.847 1.871 25913 4359 1 20 . 1 1 21 21 VAL CB C 21 32.503 32.503 33.501 -0.998 25913 4360 1 20 . 1 1 21 21 VAL H H 21 8.203 8.203 8.366 -0.163 25913 4361 1 20 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.694 -0.635 25913 4362 1 20 . 1 1 22 22 PRO C C 22 175.352 175.352 176.147 -0.795 25913 4363 1 20 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.628 0.033 25913 4364 1 20 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.245 -0.231 25913 4365 1 20 . 1 1 23 23 ARG N N 23 121.370 121.370 123.024 -1.654 25913 4366 1 20 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.187 0.068 25913 4367 1 20 . 1 1 23 23 ARG C C 23 175.759 175.759 176.626 -0.867 25913 4368 1 20 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.053 -0.001 25913 4369 1 20 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.202 1.684 25913 4370 1 20 . 1 1 23 23 ARG H H 23 8.635 8.635 8.155 0.480 25913 4371 1 20 . 1 1 24 24 LEU N N 24 127.914 127.914 128.553 -0.639 25913 4372 1 20 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.731 0.442 25913 4373 1 20 . 1 1 24 24 LEU C C 24 175.774 175.774 175.806 -0.032 25913 4374 1 20 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.087 -5.149 25913 4375 1 20 . 1 1 24 24 LEU CB C 24 41.420 41.420 38.834 2.586 25913 4376 1 20 . 1 1 24 24 LEU H H 24 8.521 8.521 8.736 -0.215 25913 4377 1 20 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.145 0.195 25913 4378 1 20 . 1 1 25 25 PRO C C 25 176.386 176.386 176.802 -0.416 25913 4379 1 20 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.505 -0.838 25913 4380 1 20 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.793 2.883 25913 4381 1 20 . 1 1 26 26 ASP N N 26 122.078 122.078 114.966 7.112 25913 4382 1 20 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.707 -0.320 25913 4383 1 20 . 1 1 26 26 ASP C C 26 175.321 175.321 175.499 -0.178 25913 4384 1 20 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.115 2.240 25913 4385 1 20 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.798 -1.732 25913 4386 1 20 . 1 1 26 26 ASP H H 26 8.752 8.752 7.633 1.119 25913 4387 1 20 . 1 1 27 27 TYR N N 27 117.607 117.607 116.942 0.665 25913 4388 1 20 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.958 -0.509 25913 4389 1 20 . 1 1 27 27 TYR C C 27 173.074 173.074 174.374 -1.300 25913 4390 1 20 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.235 1.202 25913 4391 1 20 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.648 -0.588 25913 4392 1 20 . 1 1 27 27 TYR H H 27 8.666 8.666 7.967 0.699 25913 4393 1 20 . 1 1 28 28 ILE N N 28 111.804 111.804 113.152 -1.348 25913 4394 1 20 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.475 0.300 25913 4395 1 20 . 1 1 28 28 ILE C C 28 175.083 175.083 174.725 0.358 25913 4396 1 20 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.147 -0.578 25913 4397 1 20 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.131 0.976 25913 4398 1 20 . 1 1 28 28 ILE H H 28 6.761 6.761 7.342 -0.581 25913 4399 1 20 . 1 1 29 29 CYS N N 29 126.875 126.875 119.028 7.847 25913 4400 1 20 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.759 -0.351 25913 4401 1 20 . 1 1 29 29 CYS C C 29 175.932 175.932 175.241 0.691 25913 4402 1 20 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.821 0.581 25913 4403 1 20 . 1 1 29 29 CYS CB C 29 32.214 32.214 27.918 4.296 25913 4404 1 20 . 1 1 29 29 CYS H H 29 8.783 8.783 8.781 0.002 25913 4405 1 20 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.390 -0.008 25913 4406 1 20 . 1 1 30 30 PRO C C 30 176.824 176.824 177.917 -1.093 25913 4407 1 20 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.775 -0.735 25913 4408 1 20 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.942 0.402 25913 4409 1 20 . 1 1 31 31 ARG N N 31 124.131 124.131 117.600 6.531 25913 4410 1 20 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.411 -0.110 25913 4411 1 20 . 1 1 31 31 ARG C C 31 177.721 177.721 177.273 0.448 25913 4412 1 20 . 1 1 31 31 ARG CA C 31 58.190 58.190 58.357 -0.167 25913 4413 1 20 . 1 1 31 31 ARG CB C 31 31.682 31.682 30.590 1.092 25913 4414 1 20 . 1 1 31 31 ARG H H 31 9.604 9.604 7.792 1.812 25913 4415 1 20 . 1 1 32 32 CYS N N 32 119.758 119.758 113.443 6.315 25913 4416 1 20 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.835 0.004 25913 4417 1 20 . 1 1 32 32 CYS C C 32 176.450 176.450 174.466 1.984 25913 4418 1 20 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.463 1.247 25913 4419 1 20 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.066 4.164 25913 4420 1 20 . 1 1 32 32 CYS H H 32 8.549 8.549 7.755 0.794 25913 4421 1 20 . 1 1 33 33 GLU N N 33 118.109 118.109 119.942 -1.833 25913 4422 1 20 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.098 -0.020 25913 4423 1 20 . 1 1 33 33 GLU C C 33 174.739 174.739 175.998 -1.259 25913 4424 1 20 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.446 1.072 25913 4425 1 20 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.129 -0.437 25913 4426 1 20 . 1 1 33 33 GLU H H 33 7.868 7.868 8.210 -0.342 25913 4427 1 20 . 1 1 34 34 SER N N 34 117.224 117.224 114.913 2.311 25913 4428 1 20 . 1 1 34 34 SER HA H 34 4.437 4.437 4.450 -0.013 25913 4429 1 20 . 1 1 34 34 SER C C 34 175.392 175.392 175.596 -0.204 25913 4430 1 20 . 1 1 34 34 SER CA C 34 59.277 59.277 59.959 -0.682 25913 4431 1 20 . 1 1 34 34 SER CB C 34 65.429 65.429 64.272 1.157 25913 4432 1 20 . 1 1 34 34 SER H H 34 8.786 8.786 8.115 0.671 25913 4433 1 20 . 1 1 35 35 GLY N N 35 111.095 111.095 107.948 3.147 25913 4434 1 20 . 1 1 35 35 GLY C C 35 175.730 175.730 174.678 1.052 25913 4435 1 20 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.703 0.539 25913 4436 1 20 . 1 1 35 35 GLY H H 35 8.511 8.511 8.421 0.090 25913 4437 1 20 . 1 1 36 36 PHE N N 36 126.409 126.409 125.470 0.939 25913 4438 1 20 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.436 0.715 25913 4439 1 20 . 1 1 36 36 PHE C C 36 174.098 174.098 174.216 -0.118 25913 4440 1 20 . 1 1 36 36 PHE CA C 36 55.269 55.269 59.123 -3.853 25913 4441 1 20 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.250 -1.223 25913 4442 1 20 . 1 1 36 36 PHE H H 36 8.850 8.850 7.750 1.100 25913 4443 1 20 . 1 1 37 37 ILE N N 37 117.377 117.377 115.813 1.564 25913 4444 1 20 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.314 0.042 25913 4445 1 20 . 1 1 37 37 ILE C C 37 175.508 175.508 174.881 0.627 25913 4446 1 20 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.438 0.249 25913 4447 1 20 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.574 -1.426 25913 4448 1 20 . 1 1 37 37 ILE H H 37 7.972 7.972 7.790 0.182 25913 4449 1 20 . 1 1 38 38 GLU N N 38 124.869 124.869 122.341 2.528 25913 4450 1 20 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.581 0.304 25913 4451 1 20 . 1 1 38 38 GLU C C 38 174.300 174.300 175.233 -0.933 25913 4452 1 20 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.029 0.627 25913 4453 1 20 . 1 1 38 38 GLU CB C 38 34.589 34.589 31.872 2.717 25913 4454 1 20 . 1 1 38 38 GLU H H 38 9.131 9.131 8.761 0.370 25913 4455 1 20 . 1 1 39 39 GLU N N 39 127.840 127.840 126.798 1.042 25913 4456 1 20 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.456 0.392 25913 4457 1 20 . 1 1 39 39 GLU C C 39 175.507 175.507 175.622 -0.115 25913 4458 1 20 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.408 1.097 25913 4459 1 20 . 1 1 39 39 GLU CB C 39 30.249 30.249 29.208 1.041 25913 4460 1 20 . 1 1 39 39 GLU H H 39 8.844 8.844 8.588 0.256 25913 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 34 3.300 -1.684 2.881 25913 2 1 1 "Average Difference" HA 42 0.348 0.001 0.352 25913 3 1 1 "Average Difference" C 40 0.917 -0.018 0.928 25913 4 1 1 "Average Difference" CA 39 1.603 0.213 1.610 25913 5 1 1 "Average Difference" CB 38 1.946 -1.008 1.687 25913 6 1 1 "Average Difference" HN 34 0.694 -0.201 0.675 25913 7 1 2 "Average Difference" N 34 3.332 -1.582 2.977 25913 8 1 2 "Average Difference" HA 42 0.353 0.027 0.357 25913 9 1 2 "Average Difference" C 40 0.851 -0.137 0.851 25913 10 1 2 "Average Difference" CA 39 1.344 0.117 1.357 25913 11 1 2 "Average Difference" CB 38 1.879 -0.931 1.654 25913 12 1 2 "Average Difference" HN 34 0.691 -0.183 0.676 25913 13 1 3 "Average Difference" N 34 3.259 -1.350 3.011 25913 14 1 3 "Average Difference" HA 42 0.348 0.014 0.352 25913 15 1 3 "Average Difference" C 40 0.847 -0.077 0.855 25913 16 1 3 "Average Difference" CA 39 1.421 0.052 1.439 25913 17 1 3 "Average Difference" CB 38 1.871 -0.840 1.694 25913 18 1 3 "Average Difference" HN 34 0.693 -0.212 0.670 25913 19 1 4 "Average Difference" N 34 3.355 -1.470 3.061 25913 20 1 4 "Average Difference" HA 42 0.353 0.044 0.355 25913 21 1 4 "Average Difference" C 40 0.873 -0.112 0.877 25913 22 1 4 "Average Difference" CA 39 1.345 0.091 1.359 25913 23 1 4 "Average Difference" CB 38 1.782 -0.820 1.604 25913 24 1 4 "Average Difference" HN 34 0.697 -0.191 0.680 25913 25 1 5 "Average Difference" N 34 3.342 -1.627 2.963 25913 26 1 5 "Average Difference" HA 42 0.339 0.063 0.337 25913 27 1 5 "Average Difference" C 40 0.860 -0.117 0.862 25913 28 1 5 "Average Difference" CA 39 1.281 0.076 1.295 25913 29 1 5 "Average Difference" CB 38 1.835 -0.733 1.705 25913 30 1 5 "Average Difference" HN 34 0.654 -0.202 0.631 25913 31 1 6 "Average Difference" N 34 3.134 -0.990 3.018 25913 32 1 6 "Average Difference" HA 42 0.331 0.051 0.331 25913 33 1 6 "Average Difference" C 40 0.852 -0.107 0.856 25913 34 1 6 "Average Difference" CA 39 1.291 0.014 1.308 25913 35 1 6 "Average Difference" CB 38 1.917 -0.809 1.762 25913 36 1 6 "Average Difference" HN 34 0.653 -0.183 0.636 25913 37 1 7 "Average Difference" N 34 3.380 -1.675 2.980 25913 38 1 7 "Average Difference" HA 42 0.349 0.045 0.351 25913 39 1 7 "Average Difference" C 40 0.879 0.011 0.890 25913 40 1 7 "Average Difference" CA 39 1.461 0.151 1.472 25913 41 1 7 "Average Difference" CB 38 1.857 -0.911 1.640 25913 42 1 7 "Average Difference" HN 34 0.715 -0.244 0.682 25913 43 1 8 "Average Difference" N 34 3.035 -1.402 2.732 25913 44 1 8 "Average Difference" HA 42 0.356 0.035 0.359 25913 45 1 8 "Average Difference" C 40 0.888 -0.095 0.894 25913 46 1 8 "Average Difference" CA 39 1.435 0.140 1.447 25913 47 1 8 "Average Difference" CB 38 1.917 -0.830 1.751 25913 48 1 8 "Average Difference" HN 34 0.698 -0.181 0.685 25913 49 1 9 "Average Difference" N 34 3.804 -1.859 3.368 25913 50 1 9 "Average Difference" HA 42 0.355 0.022 0.358 25913 51 1 9 "Average Difference" C 40 0.936 -0.232 0.918 25913 52 1 9 "Average Difference" CA 39 1.337 0.102 1.351 25913 53 1 9 "Average Difference" CB 38 1.782 -0.889 1.565 25913 54 1 9 "Average Difference" HN 34 0.703 -0.230 0.674 25913 55 1 10 "Average Difference" N 34 3.431 -1.847 2.935 25913 56 1 10 "Average Difference" HA 42 0.346 0.041 0.348 25913 57 1 10 "Average Difference" C 40 0.832 -0.115 0.834 25913 58 1 10 "Average Difference" CA 39 1.240 -0.036 1.255 25913 59 1 10 "Average Difference" CB 38 1.889 -0.822 1.724 25913 60 1 10 "Average Difference" HN 34 0.705 -0.250 0.669 25913 61 1 11 "Average Difference" N 34 3.404 -1.925 2.850 25913 62 1 11 "Average Difference" HA 42 0.338 0.027 0.341 25913 63 1 11 "Average Difference" C 40 0.820 -0.062 0.828 25913 64 1 11 "Average Difference" CA 39 1.414 -0.008 1.433 25913 65 1 11 "Average Difference" CB 38 1.951 -0.952 1.725 25913 66 1 11 "Average Difference" HN 34 0.714 -0.230 0.687 25913 67 1 12 "Average Difference" N 34 3.296 -1.768 2.823 25913 68 1 12 "Average Difference" HA 42 0.359 0.021 0.363 25913 69 1 12 "Average Difference" C 40 0.873 -0.046 0.883 25913 70 1 12 "Average Difference" CA 39 1.365 0.082 1.380 25913 71 1 12 "Average Difference" CB 38 1.893 -0.845 1.717 25913 72 1 12 "Average Difference" HN 34 0.681 -0.215 0.656 25913 73 1 13 "Average Difference" N 34 3.429 -1.722 3.010 25913 74 1 13 "Average Difference" HA 42 0.358 0.037 0.360 25913 75 1 13 "Average Difference" C 40 0.906 -0.163 0.903 25913 76 1 13 "Average Difference" CA 39 1.411 0.102 1.426 25913 77 1 13 "Average Difference" CB 38 1.868 -0.779 1.720 25913 78 1 13 "Average Difference" HN 34 0.687 -0.259 0.645 25913 79 1 14 "Average Difference" N 34 3.726 -2.104 3.121 25913 80 1 14 "Average Difference" HA 42 0.334 0.014 0.337 25913 81 1 14 "Average Difference" C 40 0.852 -0.148 0.850 25913 82 1 14 "Average Difference" CA 39 1.286 0.097 1.299 25913 83 1 14 "Average Difference" CB 38 1.843 -0.798 1.684 25913 84 1 14 "Average Difference" HN 34 0.733 -0.295 0.681 25913 85 1 15 "Average Difference" N 34 3.396 -1.698 2.985 25913 86 1 15 "Average Difference" HA 42 0.342 0.036 0.344 25913 87 1 15 "Average Difference" C 40 0.859 -0.141 0.858 25913 88 1 15 "Average Difference" CA 39 1.398 0.071 1.414 25913 89 1 15 "Average Difference" CB 38 1.850 -0.996 1.579 25913 90 1 15 "Average Difference" HN 34 0.691 -0.180 0.677 25913 91 1 16 "Average Difference" N 34 3.303 -1.657 2.900 25913 92 1 16 "Average Difference" HA 42 0.369 0.025 0.372 25913 93 1 16 "Average Difference" C 40 0.861 -0.150 0.858 25913 94 1 16 "Average Difference" CA 39 1.418 0.138 1.430 25913 95 1 16 "Average Difference" CB 38 1.846 -0.859 1.656 25913 96 1 16 "Average Difference" HN 34 0.706 -0.170 0.695 25913 97 1 17 "Average Difference" N 34 3.246 -1.589 2.873 25913 98 1 17 "Average Difference" HA 42 0.355 0.077 0.350 25913 99 1 17 "Average Difference" C 40 0.895 -0.161 0.891 25913 100 1 17 "Average Difference" CA 39 1.314 0.078 1.329 25913 101 1 17 "Average Difference" CB 38 1.817 -0.670 1.712 25913 102 1 17 "Average Difference" HN 34 0.672 -0.174 0.659 25913 103 1 18 "Average Difference" N 34 3.660 -1.891 3.181 25913 104 1 18 "Average Difference" HA 42 0.345 0.047 0.346 25913 105 1 18 "Average Difference" C 40 0.854 -0.138 0.853 25913 106 1 18 "Average Difference" CA 39 1.366 0.174 1.372 25913 107 1 18 "Average Difference" CB 38 1.820 -0.822 1.646 25913 108 1 18 "Average Difference" HN 34 0.722 -0.195 0.705 25913 109 1 19 "Average Difference" N 34 3.482 -1.809 3.020 25913 110 1 19 "Average Difference" HA 42 0.375 0.067 0.374 25913 111 1 19 "Average Difference" C 40 0.904 -0.178 0.897 25913 112 1 19 "Average Difference" CA 39 1.437 0.074 1.454 25913 113 1 19 "Average Difference" CB 38 1.924 -0.676 1.826 25913 114 1 19 "Average Difference" HN 34 0.710 -0.222 0.685 25913 115 1 20 "Average Difference" N 34 3.456 -1.703 3.053 25913 116 1 20 "Average Difference" HA 42 0.320 0.021 0.324 25913 117 1 20 "Average Difference" C 40 0.826 -0.026 0.836 25913 118 1 20 "Average Difference" CA 39 1.322 0.037 1.338 25913 119 1 20 "Average Difference" CB 38 1.939 -0.906 1.738 25913 120 1 20 "Average Difference" HN 34 0.696 -0.267 0.653 25913 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 25913 _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 0 0 SER HA H 0 4.525 4.525 4.522 0.003 25913 2 1 . 1 1 0 0 SER C C 0 174.776 174.776 174.720 0.056 25913 3 1 . 1 1 0 0 SER CA C 0 58.364 58.364 58.724 -0.360 25913 4 1 . 1 1 0 0 SER CB C 0 64.049 64.049 63.753 0.296 25913 5 1 . 1 1 1 1 MET N N 1 123.174 123.174 121.184 1.990 25913 6 1 . 1 1 1 1 MET HA H 1 4.486 4.486 4.434 0.052 25913 7 1 . 1 1 1 1 MET C C 1 176.177 176.177 175.608 0.569 25913 8 1 . 1 1 1 1 MET CA C 1 55.804 55.804 55.825 -0.021 25913 9 1 . 1 1 1 1 MET CB C 1 32.941 32.941 32.119 0.822 25913 10 1 . 1 1 1 1 MET H H 1 8.592 8.592 8.373 0.219 25913 11 1 . 1 1 2 2 ALA N N 2 125.785 125.785 123.155 2.630 25913 12 1 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.455 -0.162 25913 13 1 . 1 1 2 2 ALA C C 2 177.812 177.812 177.433 0.379 25913 14 1 . 1 1 2 2 ALA CA C 2 52.809 52.809 52.376 0.433 25913 15 1 . 1 1 2 2 ALA CB C 2 19.224 19.224 19.283 -0.059 25913 16 1 . 1 1 2 2 ALA H H 2 8.337 8.337 8.128 0.209 25913 17 1 . 1 1 3 3 GLU N N 3 120.731 120.731 118.954 1.777 25913 18 1 . 1 1 3 3 GLU HA H 3 4.256 4.256 4.226 0.030 25913 19 1 . 1 1 3 3 GLU C C 3 176.186 176.186 176.254 -0.068 25913 20 1 . 1 1 3 3 GLU CA C 3 56.377 56.377 57.022 -0.645 25913 21 1 . 1 1 3 3 GLU CB C 3 30.549 30.549 29.355 1.194 25913 22 1 . 1 1 3 3 GLU H H 3 8.274 8.274 8.230 0.044 25913 23 1 . 1 1 4 4 ALA N N 4 125.716 125.716 123.115 2.601 25913 24 1 . 1 1 4 4 ALA HA H 4 4.345 4.345 4.366 -0.021 25913 25 1 . 1 1 4 4 ALA C C 4 177.530 177.530 177.014 0.516 25913 26 1 . 1 1 4 4 ALA CA C 4 52.413 52.413 52.626 -0.213 25913 27 1 . 1 1 4 4 ALA CB C 4 19.466 19.466 19.004 0.462 25913 28 1 . 1 1 4 4 ALA H H 4 8.271 8.271 8.124 0.147 25913 29 1 . 1 1 5 5 SER N N 5 117.161 117.161 115.677 1.484 25913 30 1 . 1 1 5 5 SER HA H 5 4.724 4.724 4.627 0.097 25913 31 1 . 1 1 5 5 SER C C 5 172.661 172.661 172.925 -0.264 25913 32 1 . 1 1 5 5 SER CA C 5 56.354 56.354 57.467 -1.113 25913 33 1 . 1 1 5 5 SER CB C 5 63.442 63.442 63.256 0.186 25913 34 1 . 1 1 5 5 SER H H 5 8.259 8.259 8.197 0.062 25913 35 1 . 1 1 6 6 PRO HA H 6 4.414 4.414 4.519 -0.105 25913 36 1 . 1 1 6 6 PRO C C 6 176.523 176.523 175.825 0.698 25913 37 1 . 1 1 6 6 PRO CA C 6 63.385 63.385 63.432 -0.047 25913 38 1 . 1 1 6 6 PRO CB C 6 32.187 32.187 31.652 0.535 25913 39 1 . 1 1 7 7 HIS N N 7 120.170 120.170 118.538 1.632 25913 40 1 . 1 1 7 7 HIS HA H 7 4.980 4.980 4.797 0.183 25913 41 1 . 1 1 7 7 HIS C C 7 172.577 172.577 173.266 -0.689 25913 42 1 . 1 1 7 7 HIS CA C 7 53.492 53.492 53.695 -0.203 25913 43 1 . 1 1 7 7 HIS CB C 7 29.133 29.133 29.972 -0.839 25913 44 1 . 1 1 7 7 HIS H H 7 8.489 8.489 7.839 0.650 25913 45 1 . 1 1 8 8 PRO HA H 8 4.546 4.546 4.554 -0.008 25913 46 1 . 1 1 8 8 PRO C C 8 177.382 177.382 176.428 0.954 25913 47 1 . 1 1 8 8 PRO CA C 8 63.443 63.443 63.095 0.348 25913 48 1 . 1 1 8 8 PRO CB C 8 32.377 32.377 32.671 -0.294 25913 49 1 . 1 1 9 9 GLY N N 9 110.263 110.263 108.678 1.585 25913 50 1 . 1 1 9 9 GLY C C 9 172.859 172.859 173.364 -0.505 25913 51 1 . 1 1 9 9 GLY CA C 9 45.211 45.211 45.970 -0.759 25913 52 1 . 1 1 9 9 GLY H H 9 8.635 8.635 8.857 -0.222 25913 53 1 . 1 1 10 10 ARG N N 10 121.025 121.025 123.124 -2.099 25913 54 1 . 1 1 10 10 ARG HA H 10 4.782 4.782 4.739 0.043 25913 55 1 . 1 1 10 10 ARG C C 10 175.125 175.125 174.865 0.261 25913 56 1 . 1 1 10 10 ARG CA C 10 55.356 55.356 56.163 -0.807 25913 57 1 . 1 1 10 10 ARG CB C 10 32.982 32.982 29.228 3.753 25913 58 1 . 1 1 10 10 ARG H H 10 8.229 8.229 8.001 0.228 25913 59 1 . 1 1 11 11 TYR N N 11 121.353 121.353 123.677 -2.324 25913 60 1 . 1 1 11 11 TYR HA H 11 5.328 5.328 5.669 -0.341 25913 61 1 . 1 1 11 11 TYR C C 11 174.229 174.229 174.748 -0.519 25913 62 1 . 1 1 11 11 TYR CA C 11 57.049 57.049 56.102 0.947 25913 63 1 . 1 1 11 11 TYR CB C 11 43.051 43.051 43.481 -0.430 25913 64 1 . 1 1 11 11 TYR H H 11 8.692 8.692 9.357 -0.665 25913 65 1 . 1 1 12 12 PHE N N 12 122.456 122.456 122.096 0.360 25913 66 1 . 1 1 12 12 PHE HA H 12 4.884 4.884 5.320 -0.436 25913 67 1 . 1 1 12 12 PHE C C 12 174.224 174.224 174.782 -0.558 25913 68 1 . 1 1 12 12 PHE CA C 12 57.019 57.019 56.426 0.593 25913 69 1 . 1 1 12 12 PHE CB C 12 44.078 44.078 41.994 2.084 25913 70 1 . 1 1 12 12 PHE H H 12 9.415 9.415 9.047 0.368 25913 71 1 . 1 1 13 13 CYS N N 13 128.438 128.438 128.469 -0.031 25913 72 1 . 1 1 13 13 CYS HA H 13 4.653 4.653 5.007 -0.354 25913 73 1 . 1 1 13 13 CYS C C 13 176.686 176.686 175.341 1.344 25913 74 1 . 1 1 13 13 CYS CA C 13 58.328 58.328 57.634 0.694 25913 75 1 . 1 1 13 13 CYS CB C 13 31.220 31.220 28.122 3.098 25913 76 1 . 1 1 13 13 CYS H H 13 7.942 7.942 8.902 -0.960 25913 77 1 . 1 1 14 14 HIS N N 14 126.467 126.467 125.951 0.516 25913 78 1 . 1 1 14 14 HIS HA H 14 4.323 4.323 4.588 -0.265 25913 79 1 . 1 1 14 14 HIS C C 14 175.452 175.452 176.352 -0.900 25913 80 1 . 1 1 14 14 HIS CA C 14 58.736 58.736 58.239 0.496 25913 81 1 . 1 1 14 14 HIS CB C 14 29.191 29.191 30.579 -1.388 25913 82 1 . 1 1 14 14 HIS H H 14 8.971 8.971 9.524 -0.553 25913 83 1 . 1 1 15 15 CYS N N 15 123.882 123.882 118.003 5.879 25913 84 1 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.329 0.113 25913 85 1 . 1 1 15 15 CYS C C 15 176.939 176.939 175.938 1.001 25913 86 1 . 1 1 15 15 CYS CA C 15 61.704 61.704 61.528 0.176 25913 87 1 . 1 1 15 15 CYS CB C 15 28.341 28.341 28.674 -0.333 25913 88 1 . 1 1 15 15 CYS H H 15 9.195 9.195 8.240 0.955 25913 89 1 . 1 1 16 16 CYS N N 16 124.898 124.898 119.692 5.206 25913 90 1 . 1 1 16 16 CYS HA H 16 3.998 3.998 4.547 -0.549 25913 91 1 . 1 1 16 16 CYS C C 16 175.557 175.557 174.586 0.971 25913 92 1 . 1 1 16 16 CYS CB C 16 30.961 30.961 27.720 3.241 25913 93 1 . 1 1 16 16 CYS H H 16 9.794 9.794 7.997 1.797 25913 94 1 . 1 1 17 17 SER N N 17 114.055 114.055 114.076 -0.021 25913 95 1 . 1 1 17 17 SER HA H 17 3.755 3.755 4.095 -0.340 25913 96 1 . 1 1 17 17 SER C C 17 173.790 173.790 173.237 0.553 25913 97 1 . 1 1 17 17 SER CA C 17 58.868 58.868 59.498 -0.630 25913 98 1 . 1 1 17 17 SER CB C 17 61.703 61.703 60.575 1.128 25913 99 1 . 1 1 17 17 SER H H 17 7.950 7.950 8.117 -0.167 25913 100 1 . 1 1 18 18 VAL N N 18 111.916 111.916 112.448 -0.532 25913 101 1 . 1 1 18 18 VAL HA H 18 4.458 4.458 4.278 0.180 25913 102 1 . 1 1 18 18 VAL C C 18 173.765 173.765 173.586 0.179 25913 103 1 . 1 1 18 18 VAL CA C 18 59.032 59.032 59.285 -0.253 25913 104 1 . 1 1 18 18 VAL CB C 18 36.667 36.667 35.266 1.401 25913 105 1 . 1 1 18 18 VAL H H 18 6.438 6.438 6.988 -0.550 25913 106 1 . 1 1 19 19 GLU N N 19 123.431 123.431 122.220 1.211 25913 107 1 . 1 1 19 19 GLU HA H 19 5.023 5.023 5.049 -0.026 25913 108 1 . 1 1 19 19 GLU C C 19 176.506 176.506 175.994 0.512 25913 109 1 . 1 1 19 19 GLU CA C 19 56.818 56.818 56.227 0.591 25913 110 1 . 1 1 19 19 GLU CB C 19 30.165 30.165 30.564 -0.399 25913 111 1 . 1 1 19 19 GLU H H 19 8.346 8.346 8.381 -0.035 25913 112 1 . 1 1 20 20 ILE N N 20 117.751 117.751 121.008 -3.257 25913 113 1 . 1 1 20 20 ILE HA H 20 4.741 4.741 4.711 0.030 25913 114 1 . 1 1 20 20 ILE C C 20 175.511 175.511 173.888 1.623 25913 115 1 . 1 1 20 20 ILE CA C 20 58.945 58.945 59.401 -0.456 25913 116 1 . 1 1 20 20 ILE CB C 20 44.667 44.667 41.782 2.885 25913 117 1 . 1 1 20 20 ILE H H 20 8.537 8.537 8.973 -0.436 25913 118 1 . 1 1 21 21 VAL N N 21 124.220 124.220 122.006 2.214 25913 119 1 . 1 1 21 21 VAL HA H 21 4.586 4.586 5.191 -0.605 25913 120 1 . 1 1 21 21 VAL C C 21 174.640 174.640 174.086 0.554 25913 121 1 . 1 1 21 21 VAL CA C 21 59.718 59.718 57.819 1.899 25913 122 1 . 1 1 21 21 VAL CB C 21 32.503 32.503 33.405 -0.902 25913 123 1 . 1 1 21 21 VAL H H 21 8.203 8.203 8.374 -0.171 25913 124 1 . 1 1 22 22 PRO HA H 22 4.059 4.059 4.663 -0.604 25913 125 1 . 1 1 22 22 PRO C C 22 175.352 175.352 176.125 -0.773 25913 126 1 . 1 1 22 22 PRO CA C 22 62.661 62.661 62.601 0.060 25913 127 1 . 1 1 22 22 PRO CB C 22 32.014 32.014 32.353 -0.339 25913 128 1 . 1 1 23 23 ARG N N 23 121.370 121.370 122.696 -1.326 25913 129 1 . 1 1 23 23 ARG HA H 23 4.255 4.255 4.218 0.037 25913 130 1 . 1 1 23 23 ARG C C 23 175.759 175.759 176.689 -0.930 25913 131 1 . 1 1 23 23 ARG CA C 23 56.052 56.052 56.058 -0.006 25913 132 1 . 1 1 23 23 ARG CB C 23 30.886 30.886 29.208 1.678 25913 133 1 . 1 1 23 23 ARG H H 23 8.635 8.635 8.140 0.495 25913 134 1 . 1 1 24 24 LEU N N 24 127.914 127.914 127.279 0.635 25913 135 1 . 1 1 24 24 LEU HA H 24 4.173 4.173 3.742 0.431 25913 136 1 . 1 1 24 24 LEU C C 24 175.774 175.774 175.985 -0.211 25913 137 1 . 1 1 24 24 LEU CA C 24 52.938 52.938 58.492 -5.554 25913 138 1 . 1 1 24 24 LEU CB C 24 41.420 41.420 39.141 2.279 25913 139 1 . 1 1 24 24 LEU H H 24 8.521 8.521 8.662 -0.141 25913 140 1 . 1 1 25 25 PRO HA H 25 4.340 4.340 4.164 0.176 25913 141 1 . 1 1 25 25 PRO C C 25 176.386 176.386 177.026 -0.640 25913 142 1 . 1 1 25 25 PRO CA C 25 63.667 63.667 64.568 -0.901 25913 143 1 . 1 1 25 25 PRO CB C 25 34.676 34.676 31.741 2.935 25913 144 1 . 1 1 26 26 ASP N N 26 122.078 122.078 114.920 7.158 25913 145 1 . 1 1 26 26 ASP HA H 26 4.387 4.387 4.675 -0.288 25913 146 1 . 1 1 26 26 ASP C C 26 175.321 175.321 175.882 -0.561 25913 147 1 . 1 1 26 26 ASP CA C 26 56.355 56.355 54.339 2.016 25913 148 1 . 1 1 26 26 ASP CB C 26 41.066 41.066 42.907 -1.841 25913 149 1 . 1 1 26 26 ASP H H 26 8.752 8.752 7.703 1.049 25913 150 1 . 1 1 27 27 TYR N N 27 117.607 117.607 117.549 0.058 25913 151 1 . 1 1 27 27 TYR HA H 27 3.449 3.449 3.990 -0.541 25913 152 1 . 1 1 27 27 TYR C C 27 173.074 173.074 174.332 -1.258 25913 153 1 . 1 1 27 27 TYR CA C 27 60.437 60.437 59.302 1.135 25913 154 1 . 1 1 27 27 TYR CB C 27 35.060 35.060 35.758 -0.698 25913 155 1 . 1 1 27 27 TYR H H 27 8.666 8.666 8.092 0.574 25913 156 1 . 1 1 28 28 ILE N N 28 111.804 111.804 112.685 -0.881 25913 157 1 . 1 1 28 28 ILE HA H 28 4.775 4.775 4.506 0.269 25913 158 1 . 1 1 28 28 ILE C C 28 175.083 175.083 174.613 0.470 25913 159 1 . 1 1 28 28 ILE CA C 28 57.569 57.569 58.343 -0.774 25913 160 1 . 1 1 28 28 ILE CB C 28 42.107 42.107 41.166 0.941 25913 161 1 . 1 1 28 28 ILE H H 28 6.761 6.761 7.308 -0.547 25913 162 1 . 1 1 29 29 CYS N N 29 126.875 126.875 118.886 7.989 25913 163 1 . 1 1 29 29 CYS HA H 29 4.408 4.408 4.766 -0.358 25913 164 1 . 1 1 29 29 CYS C C 29 175.932 175.932 175.104 0.828 25913 165 1 . 1 1 29 29 CYS CA C 29 56.402 56.402 55.808 0.594 25913 166 1 . 1 1 29 29 CYS CB C 29 32.214 32.214 28.011 4.203 25913 167 1 . 1 1 29 29 CYS H H 29 8.783 8.783 8.726 0.057 25913 168 1 . 1 1 30 30 PRO HA H 30 4.382 4.382 4.447 -0.065 25913 169 1 . 1 1 30 30 PRO C C 30 176.824 176.824 177.376 -0.552 25913 170 1 . 1 1 30 30 PRO CA C 30 64.040 64.040 64.462 -0.422 25913 171 1 . 1 1 30 30 PRO CB C 30 32.344 32.344 31.908 0.436 25913 172 1 . 1 1 31 31 ARG N N 31 124.131 124.131 117.261 6.870 25913 173 1 . 1 1 31 31 ARG HA H 31 4.301 4.301 4.434 -0.133 25913 174 1 . 1 1 31 31 ARG C C 31 177.721 177.721 177.160 0.561 25913 175 1 . 1 1 31 31 ARG CA C 31 58.190 58.190 57.790 0.400 25913 176 1 . 1 1 31 31 ARG CB C 31 31.682 31.682 30.952 0.730 25913 177 1 . 1 1 31 31 ARG H H 31 9.604 9.604 7.711 1.893 25913 178 1 . 1 1 32 32 CYS N N 32 119.758 119.758 113.854 5.904 25913 179 1 . 1 1 32 32 CYS HA H 32 4.839 4.839 4.845 -0.006 25913 180 1 . 1 1 32 32 CYS C C 32 176.450 176.450 174.407 2.043 25913 181 1 . 1 1 32 32 CYS CA C 32 58.710 58.710 57.585 1.125 25913 182 1 . 1 1 32 32 CYS CB C 32 33.230 33.230 29.359 3.871 25913 183 1 . 1 1 32 32 CYS H H 32 8.549 8.549 7.749 0.800 25913 184 1 . 1 1 33 33 GLU N N 33 118.109 118.109 119.902 -1.793 25913 185 1 . 1 1 33 33 GLU HA H 33 4.078 4.078 4.065 0.013 25913 186 1 . 1 1 33 33 GLU C C 33 174.739 174.739 176.046 -1.307 25913 187 1 . 1 1 33 33 GLU CA C 33 58.518 58.518 57.519 0.998 25913 188 1 . 1 1 33 33 GLU CB C 33 26.692 26.692 27.219 -0.527 25913 189 1 . 1 1 33 33 GLU H H 33 7.868 7.868 8.215 -0.347 25913 190 1 . 1 1 34 34 SER N N 34 117.224 117.224 114.951 2.273 25913 191 1 . 1 1 34 34 SER HA H 34 4.437 4.437 4.490 -0.053 25913 192 1 . 1 1 34 34 SER C C 34 175.392 175.392 175.584 -0.192 25913 193 1 . 1 1 34 34 SER CA C 34 59.277 59.277 59.801 -0.524 25913 194 1 . 1 1 34 34 SER CB C 34 65.429 65.429 64.384 1.045 25913 195 1 . 1 1 34 34 SER H H 34 8.786 8.786 8.007 0.779 25913 196 1 . 1 1 35 35 GLY N N 35 111.095 111.095 107.764 3.331 25913 197 1 . 1 1 35 35 GLY C C 35 175.730 175.730 174.469 1.261 25913 198 1 . 1 1 35 35 GLY CA C 35 45.241 45.241 44.664 0.577 25913 199 1 . 1 1 35 35 GLY H H 35 8.511 8.511 8.478 0.033 25913 200 1 . 1 1 36 36 PHE N N 36 126.409 126.409 125.122 1.287 25913 201 1 . 1 1 36 36 PHE HA H 36 5.151 5.151 4.447 0.704 25913 202 1 . 1 1 36 36 PHE C C 36 174.098 174.098 174.578 -0.480 25913 203 1 . 1 1 36 36 PHE CA C 36 55.269 55.269 58.885 -3.616 25913 204 1 . 1 1 36 36 PHE CB C 36 36.027 36.027 37.449 -1.422 25913 205 1 . 1 1 36 36 PHE H H 36 8.850 8.850 7.722 1.128 25913 206 1 . 1 1 37 37 ILE N N 37 117.377 117.377 115.743 1.634 25913 207 1 . 1 1 37 37 ILE HA H 37 5.356 5.356 5.374 -0.018 25913 208 1 . 1 1 37 37 ILE C C 37 175.508 175.508 174.870 0.638 25913 209 1 . 1 1 37 37 ILE CA C 37 58.687 58.687 58.620 0.067 25913 210 1 . 1 1 37 37 ILE CB C 37 41.148 41.148 42.556 -1.408 25913 211 1 . 1 1 37 37 ILE H H 37 7.972 7.972 7.874 0.098 25913 212 1 . 1 1 38 38 GLU N N 38 124.869 124.869 122.913 1.956 25913 213 1 . 1 1 38 38 GLU HA H 38 4.885 4.885 4.587 0.298 25913 214 1 . 1 1 38 38 GLU C C 38 174.300 174.300 175.343 -1.043 25913 215 1 . 1 1 38 38 GLU CA C 38 54.656 54.656 54.686 -0.030 25913 216 1 . 1 1 38 38 GLU CB C 38 34.589 34.589 32.136 2.453 25913 217 1 . 1 1 38 38 GLU H H 38 9.131 9.131 8.849 0.282 25913 218 1 . 1 1 39 39 GLU N N 39 127.840 127.840 127.060 0.780 25913 219 1 . 1 1 39 39 GLU HA H 39 3.848 3.848 3.205 0.643 25913 220 1 . 1 1 39 39 GLU C C 39 175.507 175.507 175.605 -0.098 25913 221 1 . 1 1 39 39 GLU CA C 39 56.505 56.505 55.764 0.741 25913 222 1 . 1 1 39 39 GLU CB C 39 30.249 30.249 28.928 1.321 25913 223 1 . 1 1 39 39 GLU H H 39 8.844 8.844 8.635 0.209 25913 stop_ save_