data_19283 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19283 _Entry.PDB_ID 2M96 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 19283 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER HA H 2 4.450 4.450 4.602 -0.152 19283 2 1 1 . 1 1 2 2 SER CA C 2 58.088 58.088 58.884 -0.796 19283 3 1 1 . 1 1 2 2 SER CB C 2 64.021 64.021 64.036 -0.015 19283 4 1 1 . 1 1 3 3 MET N N 3 122.320 122.320 125.143 -2.823 19283 5 1 1 . 1 1 3 3 MET HA H 3 4.500 4.500 4.579 -0.079 19283 6 1 1 . 1 1 3 3 MET CA C 3 55.524 55.524 54.814 0.710 19283 7 1 1 . 1 1 3 3 MET H H 3 8.398 8.398 8.459 -0.061 19283 8 1 1 . 1 1 4 4 ILE N N 4 122.503 122.503 124.387 -1.884 19283 9 1 1 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.278 -0.073 19283 10 1 1 . 1 1 4 4 ILE CA C 4 60.941 60.941 61.265 -0.324 19283 11 1 1 . 1 1 4 4 ILE CB C 4 38.817 38.817 38.094 0.723 19283 12 1 1 . 1 1 4 4 ILE H H 4 8.162 8.162 8.462 -0.300 19283 13 1 1 . 1 1 5 5 THR N N 5 121.702 121.702 119.401 2.301 19283 14 1 1 . 1 1 5 5 THR HA H 5 4.582 4.582 4.848 -0.266 19283 15 1 1 . 1 1 5 5 THR CA C 5 59.724 59.724 59.937 -0.213 19283 16 1 1 . 1 1 5 5 THR CB C 5 69.776 69.776 69.965 -0.189 19283 17 1 1 . 1 1 5 5 THR H H 5 8.278 8.278 8.105 0.173 19283 18 1 1 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.657 -0.241 19283 19 1 1 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.649 0.583 19283 20 1 1 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.944 -0.501 19283 21 1 1 . 1 1 7 7 SER N N 7 116.292 116.292 113.533 2.759 19283 22 1 1 . 1 1 7 7 SER HA H 7 4.467 4.467 4.586 -0.119 19283 23 1 1 . 1 1 7 7 SER CA C 7 58.535 58.535 58.072 0.463 19283 24 1 1 . 1 1 7 7 SER H H 7 8.337 8.337 8.445 -0.108 19283 25 1 1 . 1 1 8 8 CYS N N 8 119.603 119.603 119.357 0.246 19283 26 1 1 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.655 0.136 19283 27 1 1 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.533 -5.798 19283 28 1 1 . 1 1 8 8 CYS CB C 8 40.977 40.977 29.608 11.369 19283 29 1 1 . 1 1 8 8 CYS H H 8 8.381 8.381 7.976 0.405 19283 30 1 1 . 1 1 9 9 GLN N N 9 121.666 121.666 121.948 -0.282 19283 31 1 1 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.565 -0.376 19283 32 1 1 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.152 0.259 19283 33 1 1 . 1 1 9 9 GLN CB C 9 29.646 29.646 32.486 -2.840 19283 34 1 1 . 1 1 9 9 GLN H H 9 8.849 8.849 8.417 0.432 19283 35 1 1 . 1 1 10 10 LYS N N 10 121.116 121.116 117.831 3.285 19283 36 1 1 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.053 0.094 19283 37 1 1 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.990 1.505 19283 38 1 1 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.067 0.176 19283 39 1 1 . 1 1 10 10 LYS H H 10 8.404 8.404 8.548 -0.144 19283 40 1 1 . 1 1 11 11 GLY N N 11 112.504 112.504 105.167 7.337 19283 41 1 1 . 1 1 11 11 GLY CA C 11 45.286 45.286 46.095 -0.809 19283 42 1 1 . 1 1 11 11 GLY H H 11 9.046 9.046 8.587 0.459 19283 43 1 1 . 1 1 12 12 TYR N N 12 122.192 122.192 119.693 2.499 19283 44 1 1 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.743 0.567 19283 45 1 1 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.494 -3.110 19283 46 1 1 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.276 1.807 19283 47 1 1 . 1 1 12 12 TYR H H 12 8.449 8.449 7.707 0.742 19283 48 1 1 . 1 1 13 13 PHE N N 13 119.921 119.921 117.139 2.782 19283 49 1 1 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.047 0.167 19283 50 1 1 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.030 0.548 19283 51 1 1 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.715 0.469 19283 52 1 1 . 1 1 13 13 PHE H H 13 9.541 9.541 8.400 1.141 19283 53 1 1 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.706 0.358 19283 54 1 1 . 1 1 14 14 PRO CA C 14 62.163 62.163 61.663 0.500 19283 55 1 1 . 1 1 14 14 PRO CB C 14 32.885 32.885 32.026 0.859 19283 56 1 1 . 1 1 15 15 CYS N N 15 119.902 119.902 123.213 -3.311 19283 57 1 1 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.881 0.946 19283 58 1 1 . 1 1 15 15 CYS CA C 15 55.136 55.136 60.150 -5.014 19283 59 1 1 . 1 1 15 15 CYS CB C 15 38.087 38.087 24.406 13.681 19283 60 1 1 . 1 1 15 15 CYS H H 15 8.183 8.183 8.349 -0.166 19283 61 1 1 . 1 1 16 16 GLY N N 16 112.243 112.243 115.512 -3.269 19283 62 1 1 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.315 -0.156 19283 63 1 1 . 1 1 16 16 GLY H H 16 8.055 8.055 8.670 -0.615 19283 64 1 1 . 1 1 17 17 ASN N N 17 123.356 123.356 121.829 1.527 19283 65 1 1 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.912 -0.327 19283 66 1 1 . 1 1 17 17 ASN CA C 17 53.554 53.554 52.765 0.789 19283 67 1 1 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.655 -1.641 19283 68 1 1 . 1 1 17 17 ASN H H 17 8.674 8.674 8.267 0.407 19283 69 1 1 . 1 1 18 18 LEU N N 18 119.935 119.935 121.678 -1.743 19283 70 1 1 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.215 0.278 19283 71 1 1 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.423 -1.087 19283 72 1 1 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.572 0.483 19283 73 1 1 . 1 1 18 18 LEU H H 18 7.693 7.693 7.931 -0.238 19283 74 1 1 . 1 1 19 19 THR N N 19 113.712 113.712 113.502 0.210 19283 75 1 1 . 1 1 19 19 THR HA H 19 4.074 4.074 4.393 -0.319 19283 76 1 1 . 1 1 19 19 THR CA C 19 61.657 61.657 61.453 0.204 19283 77 1 1 . 1 1 19 19 THR CB C 19 68.103 68.103 68.093 0.010 19283 78 1 1 . 1 1 19 19 THR H H 19 8.202 8.202 8.160 0.042 19283 79 1 1 . 1 1 20 20 LYS N N 20 123.274 123.274 121.627 1.647 19283 80 1 1 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.377 -0.118 19283 81 1 1 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.623 0.909 19283 82 1 1 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.923 1.070 19283 83 1 1 . 1 1 20 20 LYS H H 20 7.480 7.480 7.563 -0.083 19283 84 1 1 . 1 1 21 21 CYS N N 21 123.003 123.003 121.497 1.506 19283 85 1 1 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.235 0.091 19283 86 1 1 . 1 1 21 21 CYS CA C 21 54.861 54.861 57.920 -3.059 19283 87 1 1 . 1 1 21 21 CYS CB C 21 45.734 45.734 27.980 17.754 19283 88 1 1 . 1 1 21 21 CYS H H 21 8.489 8.489 8.561 -0.072 19283 89 1 1 . 1 1 22 22 LEU N N 22 122.788 122.788 127.449 -4.661 19283 90 1 1 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.832 0.066 19283 91 1 1 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.317 -0.865 19283 92 1 1 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.623 1.430 19283 93 1 1 . 1 1 22 22 LEU H H 22 8.853 8.853 8.492 0.361 19283 94 1 1 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.682 0.917 19283 95 1 1 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.790 0.859 19283 96 1 1 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.357 -0.383 19283 97 1 1 . 1 1 24 24 ARG N N 24 121.052 121.052 118.915 2.137 19283 98 1 1 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.322 -0.275 19283 99 1 1 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.559 1.159 19283 100 1 1 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.192 0.797 19283 101 1 1 . 1 1 24 24 ARG H H 24 8.029 8.029 8.380 -0.351 19283 102 1 1 . 1 1 25 25 ALA N N 25 121.473 121.473 121.036 0.437 19283 103 1 1 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.288 -0.181 19283 104 1 1 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.466 1.350 19283 105 1 1 . 1 1 25 25 ALA H H 25 8.513 8.513 8.261 0.252 19283 106 1 1 . 1 1 26 26 PHE N N 26 112.036 112.036 115.049 -3.013 19283 107 1 1 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.226 0.714 19283 108 1 1 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.723 -1.332 19283 109 1 1 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.372 -0.760 19283 110 1 1 . 1 1 26 26 PHE H H 26 7.973 7.973 7.405 0.568 19283 111 1 1 . 1 1 27 27 HIS N N 27 125.821 125.821 120.654 5.167 19283 112 1 1 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.480 1.239 19283 113 1 1 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.270 0.159 19283 114 1 1 . 1 1 27 27 HIS H H 27 8.535 8.535 7.256 1.279 19283 115 1 1 . 1 1 28 28 CYS N N 28 125.400 125.400 124.233 1.167 19283 116 1 1 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.002 0.681 19283 117 1 1 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.318 -2.953 19283 118 1 1 . 1 1 28 28 CYS CB C 28 36.346 36.346 24.678 11.668 19283 119 1 1 . 1 1 28 28 CYS H H 28 8.840 8.840 8.216 0.624 19283 120 1 1 . 1 1 29 29 ASP N N 29 120.999 120.999 122.619 -1.620 19283 121 1 1 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.538 0.268 19283 122 1 1 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.462 -1.624 19283 123 1 1 . 1 1 29 29 ASP CB C 29 41.416 41.416 41.636 -0.220 19283 124 1 1 . 1 1 29 29 ASP H H 29 9.539 9.539 8.646 0.893 19283 125 1 1 . 1 1 30 30 GLY N N 30 110.119 110.119 107.070 3.049 19283 126 1 1 . 1 1 30 30 GLY CA C 30 45.588 45.588 44.855 0.734 19283 127 1 1 . 1 1 30 30 GLY H H 30 9.267 9.267 8.436 0.831 19283 128 1 1 . 1 1 31 31 LYS N N 31 115.357 115.357 119.496 -4.139 19283 129 1 1 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.581 0.175 19283 130 1 1 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.174 0.830 19283 131 1 1 . 1 1 31 31 LYS H H 31 7.306 7.306 8.141 -0.835 19283 132 1 1 . 1 1 32 32 ASP N N 32 125.726 125.726 120.437 5.289 19283 133 1 1 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.664 0.020 19283 134 1 1 . 1 1 32 32 ASP CA C 32 53.708 53.708 55.358 -1.650 19283 135 1 1 . 1 1 32 32 ASP CB C 32 39.743 39.743 40.936 -1.193 19283 136 1 1 . 1 1 32 32 ASP H H 32 9.038 9.038 8.545 0.493 19283 137 1 1 . 1 1 33 33 ASP N N 33 128.314 128.314 121.507 6.807 19283 138 1 1 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.797 -0.168 19283 139 1 1 . 1 1 33 33 ASP CA C 33 55.622 55.622 54.737 0.885 19283 140 1 1 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.331 2.455 19283 141 1 1 . 1 1 33 33 ASP H H 33 10.711 10.711 8.883 1.828 19283 142 1 1 . 1 1 34 34 CYS N N 34 119.401 119.401 118.157 1.244 19283 143 1 1 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.489 -0.120 19283 144 1 1 . 1 1 34 34 CYS CA C 34 58.015 58.015 60.192 -2.177 19283 145 1 1 . 1 1 34 34 CYS CB C 34 41.263 41.263 29.706 11.557 19283 146 1 1 . 1 1 34 34 CYS H H 34 8.882 8.882 8.561 0.321 19283 147 1 1 . 1 1 35 35 GLY N N 35 111.158 111.158 109.129 2.029 19283 148 1 1 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.570 -0.517 19283 149 1 1 . 1 1 35 35 GLY H H 35 9.647 9.647 8.539 1.108 19283 150 1 1 . 1 1 36 36 ASN N N 36 116.001 116.001 119.687 -3.686 19283 151 1 1 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.759 0.125 19283 152 1 1 . 1 1 36 36 ASN CA C 36 51.306 51.306 52.912 -1.606 19283 153 1 1 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.189 -0.029 19283 154 1 1 . 1 1 36 36 ASN H H 36 7.280 7.280 8.375 -1.095 19283 155 1 1 . 1 1 37 37 GLY N N 37 110.006 110.006 108.050 1.956 19283 156 1 1 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.127 0.555 19283 157 1 1 . 1 1 37 37 GLY H H 37 9.215 9.215 8.340 0.875 19283 158 1 1 . 1 1 38 38 ALA N N 38 122.734 122.734 122.531 0.203 19283 159 1 1 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.612 -0.511 19283 160 1 1 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.812 3.068 19283 161 1 1 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.857 -0.719 19283 162 1 1 . 1 1 38 38 ALA H H 38 7.953 7.953 7.980 -0.027 19283 163 1 1 . 1 1 39 39 ASP N N 39 110.255 110.255 120.358 -10.103 19283 164 1 1 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.734 -0.251 19283 165 1 1 . 1 1 39 39 ASP CA C 39 54.468 54.468 57.002 -2.534 19283 166 1 1 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.538 -0.769 19283 167 1 1 . 1 1 39 39 ASP H H 39 10.386 10.386 8.755 1.631 19283 168 1 1 . 1 1 40 40 GLU N N 40 117.907 117.907 118.188 -0.281 19283 169 1 1 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.097 0.565 19283 170 1 1 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.515 -4.161 19283 171 1 1 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.538 0.695 19283 172 1 1 . 1 1 40 40 GLU H H 40 7.679 7.679 8.692 -1.013 19283 173 1 1 . 1 1 41 41 GLU N N 41 120.082 120.082 118.290 1.792 19283 174 1 1 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.143 0.199 19283 175 1 1 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.726 -0.877 19283 176 1 1 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.186 1.346 19283 177 1 1 . 1 1 41 41 GLU H H 41 6.964 6.964 7.666 -0.702 19283 178 1 1 . 1 1 42 42 ASN N N 42 117.487 117.487 115.884 1.603 19283 179 1 1 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.406 0.091 19283 180 1 1 . 1 1 42 42 ASN CB C 42 37.147 37.147 37.900 -0.753 19283 181 1 1 . 1 1 42 42 ASN H H 42 9.008 9.008 8.819 0.189 19283 182 1 1 . 1 1 43 43 CYS N N 43 117.347 117.347 117.144 0.203 19283 183 1 1 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.642 -0.040 19283 184 1 1 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.986 -3.983 19283 185 1 1 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.176 12.260 19283 186 1 1 . 1 1 43 43 CYS H H 43 8.294 8.294 8.041 0.253 19283 187 1 2 . 1 1 2 2 SER HA H 2 4.450 4.450 4.861 -0.411 19283 188 1 2 . 1 1 2 2 SER CA C 2 58.088 58.088 58.556 -0.468 19283 189 1 2 . 1 1 2 2 SER CB C 2 64.021 64.021 63.819 0.203 19283 190 1 2 . 1 1 3 3 MET N N 3 122.320 122.320 123.303 -0.983 19283 191 1 2 . 1 1 3 3 MET HA H 3 4.500 4.500 4.954 -0.454 19283 192 1 2 . 1 1 3 3 MET CA C 3 55.524 55.524 55.163 0.361 19283 193 1 2 . 1 1 3 3 MET H H 3 8.398 8.398 8.536 -0.138 19283 194 1 2 . 1 1 4 4 ILE N N 4 122.503 122.503 120.679 1.824 19283 195 1 2 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.656 -0.451 19283 196 1 2 . 1 1 4 4 ILE CA C 4 60.941 60.941 60.969 -0.028 19283 197 1 2 . 1 1 4 4 ILE CB C 4 38.817 38.817 41.171 -2.354 19283 198 1 2 . 1 1 4 4 ILE H H 4 8.162 8.162 8.839 -0.677 19283 199 1 2 . 1 1 5 5 THR N N 5 121.702 121.702 120.380 1.322 19283 200 1 2 . 1 1 5 5 THR HA H 5 4.582 4.582 4.803 -0.221 19283 201 1 2 . 1 1 5 5 THR CA C 5 59.724 59.724 59.390 0.334 19283 202 1 2 . 1 1 5 5 THR CB C 5 69.776 69.776 70.025 -0.249 19283 203 1 2 . 1 1 5 5 THR H H 5 8.278 8.278 8.025 0.253 19283 204 1 2 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.631 -0.216 19283 205 1 2 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.972 0.260 19283 206 1 2 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.337 0.106 19283 207 1 2 . 1 1 7 7 SER N N 7 116.292 116.292 117.634 -1.342 19283 208 1 2 . 1 1 7 7 SER HA H 7 4.467 4.467 4.487 -0.020 19283 209 1 2 . 1 1 7 7 SER CA C 7 58.535 58.535 58.415 0.120 19283 210 1 2 . 1 1 7 7 SER H H 7 8.337 8.337 8.783 -0.446 19283 211 1 2 . 1 1 8 8 CYS N N 8 119.603 119.603 118.471 1.132 19283 212 1 2 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.869 -0.078 19283 213 1 2 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.032 -5.296 19283 214 1 2 . 1 1 8 8 CYS CB C 8 40.977 40.977 30.034 10.943 19283 215 1 2 . 1 1 8 8 CYS H H 8 8.381 8.381 8.160 0.221 19283 216 1 2 . 1 1 9 9 GLN N N 9 121.666 121.666 120.374 1.292 19283 217 1 2 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.555 -0.366 19283 218 1 2 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.250 0.161 19283 219 1 2 . 1 1 9 9 GLN CB C 9 29.646 29.646 30.290 -0.644 19283 220 1 2 . 1 1 9 9 GLN H H 9 8.849 8.849 8.425 0.424 19283 221 1 2 . 1 1 10 10 LYS N N 10 121.116 121.116 119.898 1.218 19283 222 1 2 . 1 1 10 10 LYS HA H 10 4.147 4.147 3.986 0.161 19283 223 1 2 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.872 1.623 19283 224 1 2 . 1 1 10 10 LYS CB C 10 32.243 32.243 31.446 0.797 19283 225 1 2 . 1 1 10 10 LYS H H 10 8.404 8.404 9.011 -0.607 19283 226 1 2 . 1 1 11 11 GLY N N 11 112.504 112.504 103.005 9.499 19283 227 1 2 . 1 1 11 11 GLY CA C 11 45.286 45.286 44.984 0.302 19283 228 1 2 . 1 1 11 11 GLY H H 11 9.046 9.046 8.453 0.593 19283 229 1 2 . 1 1 12 12 TYR N N 12 122.192 122.192 121.515 0.677 19283 230 1 2 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.822 0.488 19283 231 1 2 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.867 -3.483 19283 232 1 2 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.247 1.836 19283 233 1 2 . 1 1 12 12 TYR H H 12 8.449 8.449 7.747 0.702 19283 234 1 2 . 1 1 13 13 PHE N N 13 119.921 119.921 117.369 2.552 19283 235 1 2 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.023 0.191 19283 236 1 2 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.074 0.504 19283 237 1 2 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.892 0.292 19283 238 1 2 . 1 1 13 13 PHE H H 13 9.541 9.541 8.406 1.135 19283 239 1 2 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.608 0.456 19283 240 1 2 . 1 1 14 14 PRO CA C 14 62.163 62.163 62.096 0.067 19283 241 1 2 . 1 1 14 14 PRO CB C 14 32.885 32.885 32.048 0.837 19283 242 1 2 . 1 1 15 15 CYS N N 15 119.902 119.902 121.243 -1.341 19283 243 1 2 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.796 1.031 19283 244 1 2 . 1 1 15 15 CYS CA C 15 55.136 55.136 61.050 -5.913 19283 245 1 2 . 1 1 15 15 CYS CB C 15 38.087 38.087 28.054 10.033 19283 246 1 2 . 1 1 15 15 CYS H H 15 8.183 8.183 8.312 -0.129 19283 247 1 2 . 1 1 16 16 GLY N N 16 112.243 112.243 108.468 3.775 19283 248 1 2 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.489 -0.331 19283 249 1 2 . 1 1 16 16 GLY H H 16 8.055 8.055 8.691 -0.636 19283 250 1 2 . 1 1 17 17 ASN N N 17 123.356 123.356 115.554 7.802 19283 251 1 2 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.769 -0.184 19283 252 1 2 . 1 1 17 17 ASN CA C 17 53.554 53.554 53.191 0.363 19283 253 1 2 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.258 -1.244 19283 254 1 2 . 1 1 17 17 ASN H H 17 8.674 8.674 8.191 0.483 19283 255 1 2 . 1 1 18 18 LEU N N 18 119.935 119.935 120.706 -0.771 19283 256 1 2 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.694 -0.201 19283 257 1 2 . 1 1 18 18 LEU CA C 18 54.336 54.336 54.728 -0.393 19283 258 1 2 . 1 1 18 18 LEU CB C 18 43.055 43.055 43.282 -0.227 19283 259 1 2 . 1 1 18 18 LEU H H 18 7.693 7.693 7.695 -0.002 19283 260 1 2 . 1 1 19 19 THR N N 19 113.712 113.712 113.120 0.592 19283 261 1 2 . 1 1 19 19 THR HA H 19 4.074 4.074 4.296 -0.222 19283 262 1 2 . 1 1 19 19 THR CA C 19 61.657 61.657 61.503 0.154 19283 263 1 2 . 1 1 19 19 THR CB C 19 68.103 68.103 68.410 -0.307 19283 264 1 2 . 1 1 19 19 THR H H 19 8.202 8.202 8.174 0.028 19283 265 1 2 . 1 1 20 20 LYS N N 20 123.274 123.274 121.806 1.468 19283 266 1 2 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.372 -0.113 19283 267 1 2 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.534 0.998 19283 268 1 2 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.885 1.108 19283 269 1 2 . 1 1 20 20 LYS H H 20 7.480 7.480 7.567 -0.087 19283 270 1 2 . 1 1 21 21 CYS N N 21 123.003 123.003 121.464 1.539 19283 271 1 2 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.108 0.218 19283 272 1 2 . 1 1 21 21 CYS CA C 21 54.861 54.861 58.552 -3.691 19283 273 1 2 . 1 1 21 21 CYS CB C 21 45.734 45.734 27.872 17.862 19283 274 1 2 . 1 1 21 21 CYS H H 21 8.489 8.489 8.655 -0.166 19283 275 1 2 . 1 1 22 22 LEU N N 22 122.788 122.788 127.671 -4.883 19283 276 1 2 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.767 0.131 19283 277 1 2 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.895 -1.443 19283 278 1 2 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.850 1.203 19283 279 1 2 . 1 1 22 22 LEU H H 22 8.853 8.853 8.523 0.330 19283 280 1 2 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.686 0.913 19283 281 1 2 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.781 0.869 19283 282 1 2 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.120 -0.146 19283 283 1 2 . 1 1 24 24 ARG N N 24 121.052 121.052 118.960 2.092 19283 284 1 2 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.212 -0.165 19283 285 1 2 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.606 1.112 19283 286 1 2 . 1 1 24 24 ARG CB C 24 29.989 29.989 28.970 1.019 19283 287 1 2 . 1 1 24 24 ARG H H 24 8.029 8.029 8.403 -0.374 19283 288 1 2 . 1 1 25 25 ALA N N 25 121.473 121.473 121.124 0.349 19283 289 1 2 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.287 -0.180 19283 290 1 2 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.558 1.258 19283 291 1 2 . 1 1 25 25 ALA H H 25 8.513 8.513 8.262 0.251 19283 292 1 2 . 1 1 26 26 PHE N N 26 112.036 112.036 115.067 -3.031 19283 293 1 2 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.179 0.761 19283 294 1 2 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.728 -1.337 19283 295 1 2 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.437 -0.825 19283 296 1 2 . 1 1 26 26 PHE H H 26 7.973 7.973 7.417 0.556 19283 297 1 2 . 1 1 27 27 HIS N N 27 125.821 125.821 120.458 5.363 19283 298 1 2 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.523 1.196 19283 299 1 2 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.403 0.026 19283 300 1 2 . 1 1 27 27 HIS H H 27 8.535 8.535 7.213 1.322 19283 301 1 2 . 1 1 28 28 CYS N N 28 125.400 125.400 125.128 0.272 19283 302 1 2 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.022 0.661 19283 303 1 2 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.890 -3.525 19283 304 1 2 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.369 10.977 19283 305 1 2 . 1 1 28 28 CYS H H 28 8.840 8.840 8.230 0.610 19283 306 1 2 . 1 1 29 29 ASP N N 29 120.999 120.999 124.371 -3.372 19283 307 1 2 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.564 0.242 19283 308 1 2 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.497 -1.659 19283 309 1 2 . 1 1 29 29 ASP CB C 29 41.416 41.416 42.486 -1.070 19283 310 1 2 . 1 1 29 29 ASP H H 29 9.539 9.539 8.504 1.035 19283 311 1 2 . 1 1 30 30 GLY N N 30 110.119 110.119 107.692 2.427 19283 312 1 2 . 1 1 30 30 GLY CA C 30 45.588 45.588 44.930 0.658 19283 313 1 2 . 1 1 30 30 GLY H H 30 9.267 9.267 8.534 0.733 19283 314 1 2 . 1 1 31 31 LYS N N 31 115.357 115.357 120.049 -4.692 19283 315 1 2 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.602 0.154 19283 316 1 2 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.519 0.485 19283 317 1 2 . 1 1 31 31 LYS H H 31 7.306 7.306 7.768 -0.462 19283 318 1 2 . 1 1 32 32 ASP N N 32 125.726 125.726 118.834 6.892 19283 319 1 2 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.727 -0.043 19283 320 1 2 . 1 1 32 32 ASP CA C 32 53.708 53.708 54.863 -1.155 19283 321 1 2 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.184 -1.441 19283 322 1 2 . 1 1 32 32 ASP H H 32 9.038 9.038 8.374 0.664 19283 323 1 2 . 1 1 33 33 ASP N N 33 128.314 128.314 121.756 6.558 19283 324 1 2 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.765 -0.136 19283 325 1 2 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.775 -0.153 19283 326 1 2 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.225 2.561 19283 327 1 2 . 1 1 33 33 ASP H H 33 10.711 10.711 8.810 1.901 19283 328 1 2 . 1 1 34 34 CYS N N 34 119.401 119.401 118.183 1.218 19283 329 1 2 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.456 -0.087 19283 330 1 2 . 1 1 34 34 CYS CA C 34 58.015 58.015 60.136 -2.121 19283 331 1 2 . 1 1 34 34 CYS CB C 34 41.263 41.263 28.946 12.317 19283 332 1 2 . 1 1 34 34 CYS H H 34 8.882 8.882 8.596 0.286 19283 333 1 2 . 1 1 35 35 GLY N N 35 111.158 111.158 108.326 2.832 19283 334 1 2 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.322 -0.269 19283 335 1 2 . 1 1 35 35 GLY H H 35 9.647 9.647 8.716 0.931 19283 336 1 2 . 1 1 36 36 ASN N N 36 116.001 116.001 120.954 -4.953 19283 337 1 2 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.731 0.153 19283 338 1 2 . 1 1 36 36 ASN CA C 36 51.306 51.306 52.761 -1.456 19283 339 1 2 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.207 -0.047 19283 340 1 2 . 1 1 36 36 ASN H H 36 7.280 7.280 8.032 -0.752 19283 341 1 2 . 1 1 37 37 GLY N N 37 110.006 110.006 106.519 3.487 19283 342 1 2 . 1 1 37 37 GLY CA C 37 45.682 45.682 44.840 0.842 19283 343 1 2 . 1 1 37 37 GLY H H 37 9.215 9.215 8.241 0.974 19283 344 1 2 . 1 1 38 38 ALA N N 38 122.734 122.734 123.088 -0.354 19283 345 1 2 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.369 -0.268 19283 346 1 2 . 1 1 38 38 ALA CA C 38 55.880 55.880 53.942 1.938 19283 347 1 2 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.543 -0.404 19283 348 1 2 . 1 1 38 38 ALA H H 38 7.953 7.953 8.614 -0.661 19283 349 1 2 . 1 1 39 39 ASP N N 39 110.255 110.255 119.065 -8.810 19283 350 1 2 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.725 -0.242 19283 351 1 2 . 1 1 39 39 ASP CA C 39 54.468 54.468 57.112 -2.644 19283 352 1 2 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.199 -0.430 19283 353 1 2 . 1 1 39 39 ASP H H 39 10.386 10.386 8.870 1.516 19283 354 1 2 . 1 1 40 40 GLU N N 40 117.907 117.907 117.924 -0.017 19283 355 1 2 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.102 0.560 19283 356 1 2 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.295 -3.941 19283 357 1 2 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.380 0.854 19283 358 1 2 . 1 1 40 40 GLU H H 40 7.679 7.679 8.704 -1.025 19283 359 1 2 . 1 1 41 41 GLU N N 41 120.082 120.082 118.359 1.723 19283 360 1 2 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.362 -0.020 19283 361 1 2 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.256 -0.407 19283 362 1 2 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.448 1.084 19283 363 1 2 . 1 1 41 41 GLU H H 41 6.964 6.964 7.904 -0.940 19283 364 1 2 . 1 1 42 42 ASN N N 42 117.487 117.487 114.543 2.944 19283 365 1 2 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.440 0.057 19283 366 1 2 . 1 1 42 42 ASN CB C 42 37.147 37.147 37.127 0.020 19283 367 1 2 . 1 1 42 42 ASN H H 42 9.008 9.008 8.863 0.145 19283 368 1 2 . 1 1 43 43 CYS N N 43 117.347 117.347 114.537 2.810 19283 369 1 2 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.648 -0.046 19283 370 1 2 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.448 -3.445 19283 371 1 2 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.548 11.888 19283 372 1 2 . 1 1 43 43 CYS H H 43 8.294 8.294 8.290 0.004 19283 373 1 3 . 1 1 2 2 SER HA H 2 4.450 4.450 4.577 -0.127 19283 374 1 3 . 1 1 2 2 SER CA C 2 58.088 58.088 58.352 -0.264 19283 375 1 3 . 1 1 2 2 SER CB C 2 64.021 64.021 64.142 -0.121 19283 376 1 3 . 1 1 3 3 MET N N 3 122.320 122.320 125.257 -2.937 19283 377 1 3 . 1 1 3 3 MET HA H 3 4.500 4.500 4.787 -0.287 19283 378 1 3 . 1 1 3 3 MET CA C 3 55.524 55.524 55.357 0.167 19283 379 1 3 . 1 1 3 3 MET H H 3 8.398 8.398 8.609 -0.211 19283 380 1 3 . 1 1 4 4 ILE N N 4 122.503 122.503 121.538 0.965 19283 381 1 3 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.825 -0.620 19283 382 1 3 . 1 1 4 4 ILE CA C 4 60.941 60.941 60.143 0.798 19283 383 1 3 . 1 1 4 4 ILE CB C 4 38.817 38.817 40.383 -1.566 19283 384 1 3 . 1 1 4 4 ILE H H 4 8.162 8.162 8.162 0.000 19283 385 1 3 . 1 1 5 5 THR N N 5 121.702 121.702 113.715 7.987 19283 386 1 3 . 1 1 5 5 THR HA H 5 4.582 4.582 4.750 -0.168 19283 387 1 3 . 1 1 5 5 THR CA C 5 59.724 59.724 59.601 0.123 19283 388 1 3 . 1 1 5 5 THR CB C 5 69.776 69.776 69.107 0.669 19283 389 1 3 . 1 1 5 5 THR H H 5 8.278 8.278 8.012 0.266 19283 390 1 3 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.543 -0.128 19283 391 1 3 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.661 0.570 19283 392 1 3 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.370 0.073 19283 393 1 3 . 1 1 7 7 SER N N 7 116.292 116.292 117.832 -1.540 19283 394 1 3 . 1 1 7 7 SER HA H 7 4.467 4.467 4.572 -0.105 19283 395 1 3 . 1 1 7 7 SER CA C 7 58.535 58.535 57.545 0.990 19283 396 1 3 . 1 1 7 7 SER H H 7 8.337 8.337 8.527 -0.190 19283 397 1 3 . 1 1 8 8 CYS N N 8 119.603 119.603 119.906 -0.303 19283 398 1 3 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.767 0.024 19283 399 1 3 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.813 -6.077 19283 400 1 3 . 1 1 8 8 CYS CB C 8 40.977 40.977 29.234 11.743 19283 401 1 3 . 1 1 8 8 CYS H H 8 8.381 8.381 7.758 0.623 19283 402 1 3 . 1 1 9 9 GLN N N 9 121.666 121.666 121.250 0.416 19283 403 1 3 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.553 -0.364 19283 404 1 3 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.194 0.217 19283 405 1 3 . 1 1 9 9 GLN CB C 9 29.646 29.646 31.914 -2.268 19283 406 1 3 . 1 1 9 9 GLN H H 9 8.849 8.849 8.533 0.317 19283 407 1 3 . 1 1 10 10 LYS N N 10 121.116 121.116 117.825 3.291 19283 408 1 3 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.063 0.084 19283 409 1 3 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.900 1.595 19283 410 1 3 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.041 0.202 19283 411 1 3 . 1 1 10 10 LYS H H 10 8.404 8.404 8.502 -0.098 19283 412 1 3 . 1 1 11 11 GLY N N 11 112.504 112.504 104.991 7.513 19283 413 1 3 . 1 1 11 11 GLY CA C 11 45.286 45.286 45.744 -0.458 19283 414 1 3 . 1 1 11 11 GLY H H 11 9.046 9.046 8.553 0.493 19283 415 1 3 . 1 1 12 12 TYR N N 12 122.192 122.192 119.493 2.699 19283 416 1 3 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.675 0.635 19283 417 1 3 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.569 -3.185 19283 418 1 3 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.237 1.846 19283 419 1 3 . 1 1 12 12 TYR H H 12 8.449 8.449 7.689 0.760 19283 420 1 3 . 1 1 13 13 PHE N N 13 119.921 119.921 117.456 2.465 19283 421 1 3 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.023 0.191 19283 422 1 3 . 1 1 13 13 PHE CA C 13 54.578 54.578 53.966 0.612 19283 423 1 3 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.984 0.200 19283 424 1 3 . 1 1 13 13 PHE H H 13 9.541 9.541 8.386 1.155 19283 425 1 3 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.524 0.540 19283 426 1 3 . 1 1 14 14 PRO CA C 14 62.163 62.163 62.134 0.029 19283 427 1 3 . 1 1 14 14 PRO CB C 14 32.885 32.885 31.991 0.894 19283 428 1 3 . 1 1 15 15 CYS N N 15 119.902 119.902 121.555 -1.653 19283 429 1 3 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.806 1.021 19283 430 1 3 . 1 1 15 15 CYS CA C 15 55.136 55.136 61.065 -5.929 19283 431 1 3 . 1 1 15 15 CYS CB C 15 38.087 38.087 28.113 9.974 19283 432 1 3 . 1 1 15 15 CYS H H 15 8.183 8.183 8.332 -0.149 19283 433 1 3 . 1 1 16 16 GLY N N 16 112.243 112.243 108.481 3.762 19283 434 1 3 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.459 -0.301 19283 435 1 3 . 1 1 16 16 GLY H H 16 8.055 8.055 8.724 -0.669 19283 436 1 3 . 1 1 17 17 ASN N N 17 123.356 123.356 115.516 7.840 19283 437 1 3 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.773 -0.188 19283 438 1 3 . 1 1 17 17 ASN CA C 17 53.554 53.554 53.166 0.388 19283 439 1 3 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.409 -1.395 19283 440 1 3 . 1 1 17 17 ASN H H 17 8.674 8.674 8.220 0.454 19283 441 1 3 . 1 1 18 18 LEU N N 18 119.935 119.935 120.505 -0.570 19283 442 1 3 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.568 -0.075 19283 443 1 3 . 1 1 18 18 LEU CA C 18 54.336 54.336 54.400 -0.064 19283 444 1 3 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.974 0.082 19283 445 1 3 . 1 1 18 18 LEU H H 18 7.693 7.693 7.721 -0.028 19283 446 1 3 . 1 1 19 19 THR N N 19 113.712 113.712 113.946 -0.234 19283 447 1 3 . 1 1 19 19 THR HA H 19 4.074 4.074 4.377 -0.303 19283 448 1 3 . 1 1 19 19 THR CA C 19 61.657 61.657 62.024 -0.367 19283 449 1 3 . 1 1 19 19 THR CB C 19 68.103 68.103 68.477 -0.374 19283 450 1 3 . 1 1 19 19 THR H H 19 8.202 8.202 8.211 -0.009 19283 451 1 3 . 1 1 20 20 LYS N N 20 123.274 123.274 121.466 1.808 19283 452 1 3 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.403 -0.144 19283 453 1 3 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.431 1.101 19283 454 1 3 . 1 1 20 20 LYS CB C 20 34.993 34.993 34.102 0.891 19283 455 1 3 . 1 1 20 20 LYS H H 20 7.480 7.480 7.572 -0.092 19283 456 1 3 . 1 1 21 21 CYS N N 21 123.003 123.003 121.963 1.040 19283 457 1 3 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.236 0.090 19283 458 1 3 . 1 1 21 21 CYS CA C 21 54.861 54.861 57.922 -3.061 19283 459 1 3 . 1 1 21 21 CYS CB C 21 45.734 45.734 28.245 17.489 19283 460 1 3 . 1 1 21 21 CYS H H 21 8.489 8.489 8.620 -0.131 19283 461 1 3 . 1 1 22 22 LEU N N 22 122.788 122.788 126.979 -4.191 19283 462 1 3 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.824 0.073 19283 463 1 3 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.491 -1.039 19283 464 1 3 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.326 1.727 19283 465 1 3 . 1 1 22 22 LEU H H 22 8.853 8.853 8.393 0.460 19283 466 1 3 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.597 1.002 19283 467 1 3 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.646 1.003 19283 468 1 3 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.148 -0.174 19283 469 1 3 . 1 1 24 24 ARG N N 24 121.052 121.052 118.484 2.568 19283 470 1 3 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.230 -0.183 19283 471 1 3 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.589 1.129 19283 472 1 3 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.045 0.944 19283 473 1 3 . 1 1 24 24 ARG H H 24 8.029 8.029 8.388 -0.359 19283 474 1 3 . 1 1 25 25 ALA N N 25 121.473 121.473 121.164 0.309 19283 475 1 3 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.283 -0.176 19283 476 1 3 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.613 1.203 19283 477 1 3 . 1 1 25 25 ALA H H 25 8.513 8.513 8.248 0.265 19283 478 1 3 . 1 1 26 26 PHE N N 26 112.036 112.036 114.095 -2.059 19283 479 1 3 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.410 0.530 19283 480 1 3 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.540 -1.149 19283 481 1 3 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.312 -0.700 19283 482 1 3 . 1 1 26 26 PHE H H 26 7.973 7.973 7.443 0.530 19283 483 1 3 . 1 1 27 27 HIS N N 27 125.821 125.821 121.185 4.636 19283 484 1 3 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.515 1.204 19283 485 1 3 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.412 0.017 19283 486 1 3 . 1 1 27 27 HIS H H 27 8.535 8.535 7.246 1.289 19283 487 1 3 . 1 1 28 28 CYS N N 28 125.400 125.400 124.665 0.735 19283 488 1 3 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.061 0.622 19283 489 1 3 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.518 -3.153 19283 490 1 3 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.868 10.478 19283 491 1 3 . 1 1 28 28 CYS H H 28 8.840 8.840 8.415 0.425 19283 492 1 3 . 1 1 29 29 ASP N N 29 120.999 120.999 123.770 -2.771 19283 493 1 3 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.655 0.151 19283 494 1 3 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.402 -1.564 19283 495 1 3 . 1 1 29 29 ASP CB C 29 41.416 41.416 41.785 -0.369 19283 496 1 3 . 1 1 29 29 ASP H H 29 9.539 9.539 8.531 1.008 19283 497 1 3 . 1 1 30 30 GLY N N 30 110.119 110.119 107.397 2.722 19283 498 1 3 . 1 1 30 30 GLY CA C 30 45.588 45.588 45.143 0.445 19283 499 1 3 . 1 1 30 30 GLY H H 30 9.267 9.267 8.508 0.759 19283 500 1 3 . 1 1 31 31 LYS N N 31 115.357 115.357 119.443 -4.086 19283 501 1 3 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.624 0.132 19283 502 1 3 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.463 0.541 19283 503 1 3 . 1 1 31 31 LYS H H 31 7.306 7.306 7.679 -0.373 19283 504 1 3 . 1 1 32 32 ASP N N 32 125.726 125.726 119.889 5.837 19283 505 1 3 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.739 -0.055 19283 506 1 3 . 1 1 32 32 ASP CA C 32 53.708 53.708 54.812 -1.104 19283 507 1 3 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.059 -1.316 19283 508 1 3 . 1 1 32 32 ASP H H 32 9.038 9.038 8.492 0.546 19283 509 1 3 . 1 1 33 33 ASP N N 33 128.314 128.314 124.091 4.223 19283 510 1 3 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.798 -0.169 19283 511 1 3 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.025 0.597 19283 512 1 3 . 1 1 33 33 ASP CB C 33 44.786 44.786 41.806 2.980 19283 513 1 3 . 1 1 33 33 ASP H H 33 10.711 10.711 8.903 1.808 19283 514 1 3 . 1 1 34 34 CYS N N 34 119.401 119.401 118.017 1.384 19283 515 1 3 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.435 -0.066 19283 516 1 3 . 1 1 34 34 CYS CA C 34 58.015 58.015 60.132 -2.117 19283 517 1 3 . 1 1 34 34 CYS CB C 34 41.263 41.263 28.876 12.387 19283 518 1 3 . 1 1 34 34 CYS H H 34 8.882 8.882 8.604 0.278 19283 519 1 3 . 1 1 35 35 GLY N N 35 111.158 111.158 108.241 2.917 19283 520 1 3 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.327 -0.274 19283 521 1 3 . 1 1 35 35 GLY H H 35 9.647 9.647 8.746 0.901 19283 522 1 3 . 1 1 36 36 ASN N N 36 116.001 116.001 120.570 -4.569 19283 523 1 3 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.754 0.130 19283 524 1 3 . 1 1 36 36 ASN CA C 36 51.306 51.306 52.763 -1.457 19283 525 1 3 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.389 -0.230 19283 526 1 3 . 1 1 36 36 ASN H H 36 7.280 7.280 7.961 -0.681 19283 527 1 3 . 1 1 37 37 GLY N N 37 110.006 110.006 106.238 3.768 19283 528 1 3 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.000 0.682 19283 529 1 3 . 1 1 37 37 GLY H H 37 9.215 9.215 8.114 1.101 19283 530 1 3 . 1 1 38 38 ALA N N 38 122.734 122.734 122.945 -0.211 19283 531 1 3 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.441 -0.340 19283 532 1 3 . 1 1 38 38 ALA CA C 38 55.880 55.880 53.037 2.843 19283 533 1 3 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.769 -0.631 19283 534 1 3 . 1 1 38 38 ALA H H 38 7.953 7.953 8.170 -0.217 19283 535 1 3 . 1 1 39 39 ASP N N 39 110.255 110.255 119.137 -8.882 19283 536 1 3 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.809 -0.326 19283 537 1 3 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.418 -1.950 19283 538 1 3 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.542 -0.773 19283 539 1 3 . 1 1 39 39 ASP H H 39 10.386 10.386 8.815 1.571 19283 540 1 3 . 1 1 40 40 GLU N N 40 117.907 117.907 117.495 0.412 19283 541 1 3 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.119 0.543 19283 542 1 3 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.364 -4.010 19283 543 1 3 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.397 0.836 19283 544 1 3 . 1 1 40 40 GLU H H 40 7.679 7.679 8.687 -1.008 19283 545 1 3 . 1 1 41 41 GLU N N 41 120.082 120.082 118.435 1.647 19283 546 1 3 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.263 0.079 19283 547 1 3 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.163 -0.314 19283 548 1 3 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.004 1.528 19283 549 1 3 . 1 1 41 41 GLU H H 41 6.964 6.964 7.486 -0.522 19283 550 1 3 . 1 1 42 42 ASN N N 42 117.487 117.487 114.056 3.431 19283 551 1 3 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.427 0.070 19283 552 1 3 . 1 1 42 42 ASN CB C 42 37.147 37.147 37.036 0.111 19283 553 1 3 . 1 1 42 42 ASN H H 42 9.008 9.008 8.822 0.186 19283 554 1 3 . 1 1 43 43 CYS N N 43 117.347 117.347 115.334 2.013 19283 555 1 3 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.645 -0.043 19283 556 1 3 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.993 -3.990 19283 557 1 3 . 1 1 43 43 CYS CB C 43 39.436 39.436 28.396 11.040 19283 558 1 3 . 1 1 43 43 CYS H H 43 8.294 8.294 8.150 0.144 19283 559 1 4 . 1 1 2 2 SER HA H 2 4.450 4.450 4.784 -0.334 19283 560 1 4 . 1 1 2 2 SER CA C 2 58.088 58.088 57.844 0.244 19283 561 1 4 . 1 1 2 2 SER CB C 2 64.021 64.021 64.091 -0.070 19283 562 1 4 . 1 1 3 3 MET N N 3 122.320 122.320 121.282 1.038 19283 563 1 4 . 1 1 3 3 MET HA H 3 4.500 4.500 4.903 -0.403 19283 564 1 4 . 1 1 3 3 MET CA C 3 55.524 55.524 54.936 0.588 19283 565 1 4 . 1 1 3 3 MET H H 3 8.398 8.398 8.370 0.028 19283 566 1 4 . 1 1 4 4 ILE N N 4 122.503 122.503 124.351 -1.848 19283 567 1 4 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.437 -0.232 19283 568 1 4 . 1 1 4 4 ILE CA C 4 60.941 60.941 60.919 0.022 19283 569 1 4 . 1 1 4 4 ILE CB C 4 38.817 38.817 39.854 -1.037 19283 570 1 4 . 1 1 4 4 ILE H H 4 8.162 8.162 8.489 -0.327 19283 571 1 4 . 1 1 5 5 THR N N 5 121.702 121.702 120.274 1.428 19283 572 1 4 . 1 1 5 5 THR HA H 5 4.582 4.582 4.216 0.366 19283 573 1 4 . 1 1 5 5 THR CA C 5 59.724 59.724 61.931 -2.207 19283 574 1 4 . 1 1 5 5 THR CB C 5 69.776 69.776 68.013 1.763 19283 575 1 4 . 1 1 5 5 THR H H 5 8.278 8.278 8.490 -0.212 19283 576 1 4 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.652 -0.237 19283 577 1 4 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.904 0.328 19283 578 1 4 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.354 0.089 19283 579 1 4 . 1 1 7 7 SER N N 7 116.292 116.292 115.257 1.035 19283 580 1 4 . 1 1 7 7 SER HA H 7 4.467 4.467 4.698 -0.231 19283 581 1 4 . 1 1 7 7 SER CA C 7 58.535 58.535 58.458 0.077 19283 582 1 4 . 1 1 7 7 SER H H 7 8.337 8.337 8.418 -0.081 19283 583 1 4 . 1 1 8 8 CYS N N 8 119.603 119.603 118.879 0.724 19283 584 1 4 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.686 0.105 19283 585 1 4 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.330 -5.593 19283 586 1 4 . 1 1 8 8 CYS CB C 8 40.977 40.977 29.550 11.427 19283 587 1 4 . 1 1 8 8 CYS H H 8 8.381 8.381 7.617 0.764 19283 588 1 4 . 1 1 9 9 GLN N N 9 121.666 121.666 121.189 0.477 19283 589 1 4 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.585 -0.396 19283 590 1 4 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.169 0.242 19283 591 1 4 . 1 1 9 9 GLN CB C 9 29.646 29.646 30.833 -1.187 19283 592 1 4 . 1 1 9 9 GLN H H 9 8.849 8.849 8.477 0.372 19283 593 1 4 . 1 1 10 10 LYS N N 10 121.116 121.116 118.422 2.694 19283 594 1 4 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.046 0.101 19283 595 1 4 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.520 1.976 19283 596 1 4 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.399 -0.156 19283 597 1 4 . 1 1 10 10 LYS H H 10 8.404 8.404 8.470 -0.066 19283 598 1 4 . 1 1 11 11 GLY N N 11 112.504 112.504 104.854 7.650 19283 599 1 4 . 1 1 11 11 GLY CA C 11 45.286 45.286 45.999 -0.713 19283 600 1 4 . 1 1 11 11 GLY H H 11 9.046 9.046 8.480 0.566 19283 601 1 4 . 1 1 12 12 TYR N N 12 122.192 122.192 119.134 3.058 19283 602 1 4 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.666 0.644 19283 603 1 4 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.493 -3.109 19283 604 1 4 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.237 1.846 19283 605 1 4 . 1 1 12 12 TYR H H 12 8.449 8.449 7.705 0.744 19283 606 1 4 . 1 1 13 13 PHE N N 13 119.921 119.921 117.309 2.612 19283 607 1 4 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.024 0.190 19283 608 1 4 . 1 1 13 13 PHE CA C 13 54.578 54.578 53.981 0.597 19283 609 1 4 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.906 0.278 19283 610 1 4 . 1 1 13 13 PHE H H 13 9.541 9.541 8.405 1.136 19283 611 1 4 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.342 0.722 19283 612 1 4 . 1 1 14 14 PRO CA C 14 62.163 62.163 62.063 0.100 19283 613 1 4 . 1 1 14 14 PRO CB C 14 32.885 32.885 31.805 1.080 19283 614 1 4 . 1 1 15 15 CYS N N 15 119.902 119.902 124.644 -4.742 19283 615 1 4 . 1 1 15 15 CYS HA H 15 4.827 4.827 4.066 0.761 19283 616 1 4 . 1 1 15 15 CYS CA C 15 55.136 55.136 58.264 -3.128 19283 617 1 4 . 1 1 15 15 CYS CB C 15 38.087 38.087 25.012 13.075 19283 618 1 4 . 1 1 15 15 CYS H H 15 8.183 8.183 8.270 -0.087 19283 619 1 4 . 1 1 16 16 GLY N N 16 112.243 112.243 118.845 -6.602 19283 620 1 4 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.311 -0.153 19283 621 1 4 . 1 1 16 16 GLY H H 16 8.055 8.055 8.351 -0.296 19283 622 1 4 . 1 1 17 17 ASN N N 17 123.356 123.356 121.816 1.540 19283 623 1 4 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.940 -0.355 19283 624 1 4 . 1 1 17 17 ASN CA C 17 53.554 53.554 52.966 0.588 19283 625 1 4 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.574 -1.560 19283 626 1 4 . 1 1 17 17 ASN H H 17 8.674 8.674 8.279 0.395 19283 627 1 4 . 1 1 18 18 LEU N N 18 119.935 119.935 121.160 -1.225 19283 628 1 4 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.233 0.260 19283 629 1 4 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.516 -1.180 19283 630 1 4 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.567 0.488 19283 631 1 4 . 1 1 18 18 LEU H H 18 7.693 7.693 7.760 -0.067 19283 632 1 4 . 1 1 19 19 THR N N 19 113.712 113.712 113.602 0.110 19283 633 1 4 . 1 1 19 19 THR HA H 19 4.074 4.074 4.378 -0.304 19283 634 1 4 . 1 1 19 19 THR CA C 19 61.657 61.657 61.529 0.128 19283 635 1 4 . 1 1 19 19 THR CB C 19 68.103 68.103 68.308 -0.205 19283 636 1 4 . 1 1 19 19 THR H H 19 8.202 8.202 8.135 0.067 19283 637 1 4 . 1 1 20 20 LYS N N 20 123.274 123.274 122.742 0.532 19283 638 1 4 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.374 -0.115 19283 639 1 4 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.632 0.900 19283 640 1 4 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.750 1.243 19283 641 1 4 . 1 1 20 20 LYS H H 20 7.480 7.480 7.614 -0.134 19283 642 1 4 . 1 1 21 21 CYS N N 21 123.003 123.003 123.589 -0.586 19283 643 1 4 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.263 0.063 19283 644 1 4 . 1 1 21 21 CYS CA C 21 54.861 54.861 57.823 -2.962 19283 645 1 4 . 1 1 21 21 CYS CB C 21 45.734 45.734 27.782 17.952 19283 646 1 4 . 1 1 21 21 CYS H H 21 8.489 8.489 8.677 -0.188 19283 647 1 4 . 1 1 22 22 LEU N N 22 122.788 122.788 129.259 -6.471 19283 648 1 4 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.867 0.031 19283 649 1 4 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.364 -0.911 19283 650 1 4 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.727 1.326 19283 651 1 4 . 1 1 22 22 LEU H H 22 8.853 8.853 8.433 0.420 19283 652 1 4 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.537 1.062 19283 653 1 4 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.616 1.033 19283 654 1 4 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.139 -0.165 19283 655 1 4 . 1 1 24 24 ARG N N 24 121.052 121.052 118.391 2.661 19283 656 1 4 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.214 -0.167 19283 657 1 4 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.595 1.123 19283 658 1 4 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.035 0.954 19283 659 1 4 . 1 1 24 24 ARG H H 24 8.029 8.029 8.382 -0.353 19283 660 1 4 . 1 1 25 25 ALA N N 25 121.473 121.473 121.245 0.228 19283 661 1 4 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.288 -0.181 19283 662 1 4 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.671 1.145 19283 663 1 4 . 1 1 25 25 ALA H H 25 8.513 8.513 8.268 0.245 19283 664 1 4 . 1 1 26 26 PHE N N 26 112.036 112.036 114.970 -2.934 19283 665 1 4 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.199 0.741 19283 666 1 4 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.321 -0.930 19283 667 1 4 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.396 -0.784 19283 668 1 4 . 1 1 26 26 PHE H H 26 7.973 7.973 7.432 0.541 19283 669 1 4 . 1 1 27 27 HIS N N 27 125.821 125.821 121.293 4.528 19283 670 1 4 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.544 1.175 19283 671 1 4 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.248 0.181 19283 672 1 4 . 1 1 27 27 HIS H H 27 8.535 8.535 7.339 1.196 19283 673 1 4 . 1 1 28 28 CYS N N 28 125.400 125.400 124.832 0.568 19283 674 1 4 . 1 1 28 28 CYS HA H 28 4.683 4.683 3.997 0.686 19283 675 1 4 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.767 -3.402 19283 676 1 4 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.461 10.885 19283 677 1 4 . 1 1 28 28 CYS H H 28 8.840 8.840 8.246 0.594 19283 678 1 4 . 1 1 29 29 ASP N N 29 120.999 120.999 123.189 -2.190 19283 679 1 4 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.560 0.246 19283 680 1 4 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.299 -1.461 19283 681 1 4 . 1 1 29 29 ASP CB C 29 41.416 41.416 41.597 -0.181 19283 682 1 4 . 1 1 29 29 ASP H H 29 9.539 9.539 8.626 0.913 19283 683 1 4 . 1 1 30 30 GLY N N 30 110.119 110.119 107.416 2.703 19283 684 1 4 . 1 1 30 30 GLY CA C 30 45.588 45.588 44.812 0.776 19283 685 1 4 . 1 1 30 30 GLY H H 30 9.267 9.267 8.565 0.702 19283 686 1 4 . 1 1 31 31 LYS N N 31 115.357 115.357 119.983 -4.626 19283 687 1 4 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.550 0.206 19283 688 1 4 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.967 0.037 19283 689 1 4 . 1 1 31 31 LYS H H 31 7.306 7.306 7.688 -0.382 19283 690 1 4 . 1 1 32 32 ASP N N 32 125.726 125.726 118.949 6.777 19283 691 1 4 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.832 -0.148 19283 692 1 4 . 1 1 32 32 ASP CA C 32 53.708 53.708 54.025 -0.317 19283 693 1 4 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.185 -1.442 19283 694 1 4 . 1 1 32 32 ASP H H 32 9.038 9.038 8.334 0.704 19283 695 1 4 . 1 1 33 33 ASP N N 33 128.314 128.314 121.931 6.383 19283 696 1 4 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.767 -0.138 19283 697 1 4 . 1 1 33 33 ASP CA C 33 55.622 55.622 54.890 0.732 19283 698 1 4 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.071 2.715 19283 699 1 4 . 1 1 33 33 ASP H H 33 10.711 10.711 9.020 1.691 19283 700 1 4 . 1 1 34 34 CYS N N 34 119.401 119.401 117.769 1.632 19283 701 1 4 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.346 0.023 19283 702 1 4 . 1 1 34 34 CYS CA C 34 58.015 58.015 61.114 -3.099 19283 703 1 4 . 1 1 34 34 CYS CB C 34 41.263 41.263 28.456 12.807 19283 704 1 4 . 1 1 34 34 CYS H H 34 8.882 8.882 8.211 0.671 19283 705 1 4 . 1 1 35 35 GLY N N 35 111.158 111.158 108.033 3.125 19283 706 1 4 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.546 -0.493 19283 707 1 4 . 1 1 35 35 GLY H H 35 9.647 9.647 8.586 1.061 19283 708 1 4 . 1 1 36 36 ASN N N 36 116.001 116.001 119.261 -3.260 19283 709 1 4 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.766 0.118 19283 710 1 4 . 1 1 36 36 ASN CA C 36 51.306 51.306 53.310 -2.004 19283 711 1 4 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.861 -0.701 19283 712 1 4 . 1 1 36 36 ASN H H 36 7.280 7.280 8.409 -1.129 19283 713 1 4 . 1 1 37 37 GLY N N 37 110.006 110.006 107.307 2.699 19283 714 1 4 . 1 1 37 37 GLY CA C 37 45.682 45.682 44.982 0.700 19283 715 1 4 . 1 1 37 37 GLY H H 37 9.215 9.215 8.298 0.917 19283 716 1 4 . 1 1 38 38 ALA N N 38 122.734 122.734 122.304 0.430 19283 717 1 4 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.610 -0.509 19283 718 1 4 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.504 3.376 19283 719 1 4 . 1 1 38 38 ALA CB C 38 19.138 19.138 20.283 -1.145 19283 720 1 4 . 1 1 38 38 ALA H H 38 7.953 7.953 8.168 -0.215 19283 721 1 4 . 1 1 39 39 ASP N N 39 110.255 110.255 119.591 -9.336 19283 722 1 4 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.783 -0.300 19283 723 1 4 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.049 -1.581 19283 724 1 4 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.630 -0.861 19283 725 1 4 . 1 1 39 39 ASP H H 39 10.386 10.386 8.962 1.424 19283 726 1 4 . 1 1 40 40 GLU N N 40 117.907 117.907 118.443 -0.536 19283 727 1 4 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.124 0.538 19283 728 1 4 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.099 -3.745 19283 729 1 4 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.223 1.010 19283 730 1 4 . 1 1 40 40 GLU H H 40 7.679 7.679 8.664 -0.985 19283 731 1 4 . 1 1 41 41 GLU N N 41 120.082 120.082 118.477 1.605 19283 732 1 4 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.200 0.142 19283 733 1 4 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.478 -0.630 19283 734 1 4 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.250 1.282 19283 735 1 4 . 1 1 41 41 GLU H H 41 6.964 6.964 7.622 -0.658 19283 736 1 4 . 1 1 42 42 ASN N N 42 117.487 117.487 115.915 1.572 19283 737 1 4 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.399 0.098 19283 738 1 4 . 1 1 42 42 ASN CB C 42 37.147 37.147 38.138 -0.991 19283 739 1 4 . 1 1 42 42 ASN H H 42 9.008 9.008 8.814 0.194 19283 740 1 4 . 1 1 43 43 CYS N N 43 117.347 117.347 115.799 1.548 19283 741 1 4 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.633 -0.031 19283 742 1 4 . 1 1 43 43 CYS CA C 43 55.003 55.003 59.241 -4.238 19283 743 1 4 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.774 11.662 19283 744 1 4 . 1 1 43 43 CYS H H 43 8.294 8.294 8.207 0.087 19283 745 1 5 . 1 1 2 2 SER HA H 2 4.450 4.450 4.386 0.064 19283 746 1 5 . 1 1 2 2 SER CA C 2 58.088 58.088 58.282 -0.194 19283 747 1 5 . 1 1 2 2 SER CB C 2 64.021 64.021 63.592 0.430 19283 748 1 5 . 1 1 3 3 MET N N 3 122.320 122.320 125.036 -2.716 19283 749 1 5 . 1 1 3 3 MET HA H 3 4.500 4.500 4.610 -0.110 19283 750 1 5 . 1 1 3 3 MET CA C 3 55.524 55.524 54.948 0.576 19283 751 1 5 . 1 1 3 3 MET H H 3 8.398 8.398 8.138 0.260 19283 752 1 5 . 1 1 4 4 ILE N N 4 122.503 122.503 118.082 4.421 19283 753 1 5 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.592 -0.387 19283 754 1 5 . 1 1 4 4 ILE CA C 4 60.941 60.941 61.152 -0.211 19283 755 1 5 . 1 1 4 4 ILE CB C 4 38.817 38.817 39.941 -1.123 19283 756 1 5 . 1 1 4 4 ILE H H 4 8.162 8.162 7.642 0.520 19283 757 1 5 . 1 1 5 5 THR N N 5 121.702 121.702 116.930 4.772 19283 758 1 5 . 1 1 5 5 THR HA H 5 4.582 4.582 4.716 -0.134 19283 759 1 5 . 1 1 5 5 THR CA C 5 59.724 59.724 60.056 -0.332 19283 760 1 5 . 1 1 5 5 THR CB C 5 69.776 69.776 68.542 1.234 19283 761 1 5 . 1 1 5 5 THR H H 5 8.278 8.278 8.260 0.018 19283 762 1 5 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.655 -0.240 19283 763 1 5 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.920 0.312 19283 764 1 5 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.163 0.280 19283 765 1 5 . 1 1 7 7 SER N N 7 116.292 116.292 117.030 -0.738 19283 766 1 5 . 1 1 7 7 SER HA H 7 4.467 4.467 4.535 -0.068 19283 767 1 5 . 1 1 7 7 SER CA C 7 58.535 58.535 58.084 0.451 19283 768 1 5 . 1 1 7 7 SER H H 7 8.337 8.337 8.717 -0.380 19283 769 1 5 . 1 1 8 8 CYS N N 8 119.603 119.603 119.320 0.283 19283 770 1 5 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.775 0.016 19283 771 1 5 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.484 -5.748 19283 772 1 5 . 1 1 8 8 CYS CB C 8 40.977 40.977 28.911 12.066 19283 773 1 5 . 1 1 8 8 CYS H H 8 8.381 8.381 7.733 0.648 19283 774 1 5 . 1 1 9 9 GLN N N 9 121.666 121.666 121.857 -0.191 19283 775 1 5 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.535 -0.345 19283 776 1 5 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.070 0.341 19283 777 1 5 . 1 1 9 9 GLN CB C 9 29.646 29.646 31.339 -1.693 19283 778 1 5 . 1 1 9 9 GLN H H 9 8.849 8.849 8.534 0.315 19283 779 1 5 . 1 1 10 10 LYS N N 10 121.116 121.116 118.227 2.889 19283 780 1 5 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.096 0.051 19283 781 1 5 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.998 1.497 19283 782 1 5 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.484 -0.241 19283 783 1 5 . 1 1 10 10 LYS H H 10 8.404 8.404 8.609 -0.205 19283 784 1 5 . 1 1 11 11 GLY N N 11 112.504 112.504 105.019 7.485 19283 785 1 5 . 1 1 11 11 GLY CA C 11 45.286 45.286 45.904 -0.618 19283 786 1 5 . 1 1 11 11 GLY H H 11 9.046 9.046 8.552 0.494 19283 787 1 5 . 1 1 12 12 TYR N N 12 122.192 122.192 119.091 3.101 19283 788 1 5 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.656 0.654 19283 789 1 5 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.568 -3.184 19283 790 1 5 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.249 1.834 19283 791 1 5 . 1 1 12 12 TYR H H 12 8.449 8.449 7.693 0.756 19283 792 1 5 . 1 1 13 13 PHE N N 13 119.921 119.921 117.532 2.389 19283 793 1 5 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.028 0.186 19283 794 1 5 . 1 1 13 13 PHE CA C 13 54.578 54.578 53.950 0.627 19283 795 1 5 . 1 1 13 13 PHE CB C 13 41.184 41.184 41.109 0.075 19283 796 1 5 . 1 1 13 13 PHE H H 13 9.541 9.541 8.434 1.107 19283 797 1 5 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.489 0.575 19283 798 1 5 . 1 1 14 14 PRO CA C 14 62.163 62.163 62.146 0.017 19283 799 1 5 . 1 1 14 14 PRO CB C 14 32.885 32.885 31.920 0.965 19283 800 1 5 . 1 1 15 15 CYS N N 15 119.902 119.902 121.948 -2.046 19283 801 1 5 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.841 0.986 19283 802 1 5 . 1 1 15 15 CYS CA C 15 55.136 55.136 61.184 -6.048 19283 803 1 5 . 1 1 15 15 CYS CB C 15 38.087 38.087 27.976 10.111 19283 804 1 5 . 1 1 15 15 CYS H H 15 8.183 8.183 8.346 -0.163 19283 805 1 5 . 1 1 16 16 GLY N N 16 112.243 112.243 108.876 3.367 19283 806 1 5 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.431 -0.272 19283 807 1 5 . 1 1 16 16 GLY H H 16 8.055 8.055 8.795 -0.740 19283 808 1 5 . 1 1 17 17 ASN N N 17 123.356 123.356 115.893 7.463 19283 809 1 5 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.788 -0.203 19283 810 1 5 . 1 1 17 17 ASN CA C 17 53.554 53.554 52.986 0.568 19283 811 1 5 . 1 1 17 17 ASN CB C 17 38.014 38.014 38.686 -0.672 19283 812 1 5 . 1 1 17 17 ASN H H 17 8.674 8.674 8.213 0.461 19283 813 1 5 . 1 1 18 18 LEU N N 18 119.935 119.935 120.739 -0.804 19283 814 1 5 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.721 -0.228 19283 815 1 5 . 1 1 18 18 LEU CA C 18 54.336 54.336 54.625 -0.289 19283 816 1 5 . 1 1 18 18 LEU CB C 18 43.055 43.055 43.286 -0.231 19283 817 1 5 . 1 1 18 18 LEU H H 18 7.693 7.693 7.594 0.099 19283 818 1 5 . 1 1 19 19 THR N N 19 113.712 113.712 113.149 0.563 19283 819 1 5 . 1 1 19 19 THR HA H 19 4.074 4.074 4.326 -0.252 19283 820 1 5 . 1 1 19 19 THR CA C 19 61.657 61.657 61.625 0.032 19283 821 1 5 . 1 1 19 19 THR CB C 19 68.103 68.103 68.412 -0.309 19283 822 1 5 . 1 1 19 19 THR H H 19 8.202 8.202 8.189 0.013 19283 823 1 5 . 1 1 20 20 LYS N N 20 123.274 123.274 121.693 1.581 19283 824 1 5 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.389 -0.130 19283 825 1 5 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.374 1.158 19283 826 1 5 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.929 1.064 19283 827 1 5 . 1 1 20 20 LYS H H 20 7.480 7.480 7.597 -0.117 19283 828 1 5 . 1 1 21 21 CYS N N 21 123.003 123.003 121.204 1.799 19283 829 1 5 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.162 0.164 19283 830 1 5 . 1 1 21 21 CYS CA C 21 54.861 54.861 58.469 -3.608 19283 831 1 5 . 1 1 21 21 CYS CB C 21 45.734 45.734 28.224 17.510 19283 832 1 5 . 1 1 21 21 CYS H H 21 8.489 8.489 8.651 -0.162 19283 833 1 5 . 1 1 22 22 LEU N N 22 122.788 122.788 126.868 -4.080 19283 834 1 5 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.782 0.116 19283 835 1 5 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.854 -1.402 19283 836 1 5 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.624 1.429 19283 837 1 5 . 1 1 22 22 LEU H H 22 8.853 8.853 8.295 0.558 19283 838 1 5 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.505 1.094 19283 839 1 5 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.673 0.976 19283 840 1 5 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.298 -0.324 19283 841 1 5 . 1 1 24 24 ARG N N 24 121.052 121.052 118.296 2.756 19283 842 1 5 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.232 -0.185 19283 843 1 5 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.581 1.137 19283 844 1 5 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.046 0.943 19283 845 1 5 . 1 1 24 24 ARG H H 24 8.029 8.029 8.397 -0.368 19283 846 1 5 . 1 1 25 25 ALA N N 25 121.473 121.473 121.141 0.332 19283 847 1 5 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.287 -0.180 19283 848 1 5 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.506 1.310 19283 849 1 5 . 1 1 25 25 ALA H H 25 8.513 8.513 8.250 0.263 19283 850 1 5 . 1 1 26 26 PHE N N 26 112.036 112.036 114.514 -2.478 19283 851 1 5 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.367 0.573 19283 852 1 5 . 1 1 26 26 PHE CA C 26 56.391 56.391 58.014 -1.623 19283 853 1 5 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.464 -0.852 19283 854 1 5 . 1 1 26 26 PHE H H 26 7.973 7.973 7.408 0.565 19283 855 1 5 . 1 1 27 27 HIS N N 27 125.821 125.821 121.218 4.603 19283 856 1 5 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.486 1.232 19283 857 1 5 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.237 0.192 19283 858 1 5 . 1 1 27 27 HIS H H 27 8.535 8.535 7.181 1.354 19283 859 1 5 . 1 1 28 28 CYS N N 28 125.400 125.400 124.359 1.041 19283 860 1 5 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.056 0.627 19283 861 1 5 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.736 -3.372 19283 862 1 5 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.303 11.043 19283 863 1 5 . 1 1 28 28 CYS H H 28 8.840 8.840 8.279 0.561 19283 864 1 5 . 1 1 29 29 ASP N N 29 120.999 120.999 123.487 -2.488 19283 865 1 5 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.599 0.207 19283 866 1 5 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.206 -1.368 19283 867 1 5 . 1 1 29 29 ASP CB C 29 41.416 41.416 42.104 -0.688 19283 868 1 5 . 1 1 29 29 ASP H H 29 9.539 9.539 8.554 0.985 19283 869 1 5 . 1 1 30 30 GLY N N 30 110.119 110.119 106.681 3.438 19283 870 1 5 . 1 1 30 30 GLY CA C 30 45.588 45.588 44.931 0.657 19283 871 1 5 . 1 1 30 30 GLY H H 30 9.267 9.267 8.272 0.995 19283 872 1 5 . 1 1 31 31 LYS N N 31 115.357 115.357 120.269 -4.912 19283 873 1 5 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.631 0.125 19283 874 1 5 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.838 0.166 19283 875 1 5 . 1 1 31 31 LYS H H 31 7.306 7.306 7.891 -0.585 19283 876 1 5 . 1 1 32 32 ASP N N 32 125.726 125.726 120.422 5.304 19283 877 1 5 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.858 -0.174 19283 878 1 5 . 1 1 32 32 ASP CA C 32 53.708 53.708 54.287 -0.579 19283 879 1 5 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.174 -1.431 19283 880 1 5 . 1 1 32 32 ASP H H 32 9.038 9.038 8.356 0.682 19283 881 1 5 . 1 1 33 33 ASP N N 33 128.314 128.314 122.498 5.816 19283 882 1 5 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.925 -0.296 19283 883 1 5 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.577 0.045 19283 884 1 5 . 1 1 33 33 ASP CB C 33 44.786 44.786 41.650 3.136 19283 885 1 5 . 1 1 33 33 ASP H H 33 10.711 10.711 8.961 1.750 19283 886 1 5 . 1 1 34 34 CYS N N 34 119.401 119.401 118.453 0.948 19283 887 1 5 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.559 -0.190 19283 888 1 5 . 1 1 34 34 CYS CA C 34 58.015 58.015 59.699 -1.684 19283 889 1 5 . 1 1 34 34 CYS CB C 34 41.263 41.263 27.658 13.605 19283 890 1 5 . 1 1 34 34 CYS H H 34 8.882 8.882 8.097 0.785 19283 891 1 5 . 1 1 35 35 GLY N N 35 111.158 111.158 108.432 2.726 19283 892 1 5 . 1 1 35 35 GLY CA C 35 45.053 45.053 46.405 -1.352 19283 893 1 5 . 1 1 35 35 GLY H H 35 9.647 9.647 8.677 0.970 19283 894 1 5 . 1 1 36 36 ASN N N 36 116.001 116.001 119.656 -3.655 19283 895 1 5 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.829 0.055 19283 896 1 5 . 1 1 36 36 ASN CA C 36 51.306 51.306 52.837 -1.531 19283 897 1 5 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.339 -0.179 19283 898 1 5 . 1 1 36 36 ASN H H 36 7.280 7.280 8.225 -0.945 19283 899 1 5 . 1 1 37 37 GLY N N 37 110.006 110.006 106.447 3.559 19283 900 1 5 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.460 0.222 19283 901 1 5 . 1 1 37 37 GLY H H 37 9.215 9.215 8.695 0.520 19283 902 1 5 . 1 1 38 38 ALA N N 38 122.734 122.734 122.141 0.593 19283 903 1 5 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.498 -0.397 19283 904 1 5 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.344 3.536 19283 905 1 5 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.901 -0.763 19283 906 1 5 . 1 1 38 38 ALA H H 38 7.953 7.953 8.250 -0.297 19283 907 1 5 . 1 1 39 39 ASP N N 39 110.255 110.255 118.151 -7.896 19283 908 1 5 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.777 -0.294 19283 909 1 5 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.180 -1.712 19283 910 1 5 . 1 1 39 39 ASP CB C 39 39.769 39.769 39.707 0.062 19283 911 1 5 . 1 1 39 39 ASP H H 39 10.386 10.386 8.872 1.514 19283 912 1 5 . 1 1 40 40 GLU N N 40 117.907 117.907 117.611 0.296 19283 913 1 5 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.150 0.512 19283 914 1 5 . 1 1 40 40 GLU CA C 40 54.354 54.354 57.860 -3.506 19283 915 1 5 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.332 0.901 19283 916 1 5 . 1 1 40 40 GLU H H 40 7.679 7.679 8.638 -0.959 19283 917 1 5 . 1 1 41 41 GLU N N 41 120.082 120.082 118.534 1.548 19283 918 1 5 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.244 0.098 19283 919 1 5 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.979 -1.130 19283 920 1 5 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.184 1.348 19283 921 1 5 . 1 1 41 41 GLU H H 41 6.964 6.964 7.721 -0.757 19283 922 1 5 . 1 1 42 42 ASN N N 42 117.487 117.487 114.174 3.313 19283 923 1 5 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.438 0.059 19283 924 1 5 . 1 1 42 42 ASN CB C 42 37.147 37.147 36.684 0.463 19283 925 1 5 . 1 1 42 42 ASN H H 42 9.008 9.008 8.915 0.093 19283 926 1 5 . 1 1 43 43 CYS N N 43 117.347 117.347 116.028 1.319 19283 927 1 5 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.645 -0.043 19283 928 1 5 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.440 -3.437 19283 929 1 5 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.526 11.910 19283 930 1 5 . 1 1 43 43 CYS H H 43 8.294 8.294 8.308 -0.014 19283 931 1 6 . 1 1 2 2 SER HA H 2 4.450 4.450 4.021 0.429 19283 932 1 6 . 1 1 2 2 SER CA C 2 58.088 58.088 58.480 -0.392 19283 933 1 6 . 1 1 2 2 SER CB C 2 64.021 64.021 62.800 1.221 19283 934 1 6 . 1 1 3 3 MET N N 3 122.320 122.320 117.308 5.012 19283 935 1 6 . 1 1 3 3 MET HA H 3 4.500 4.500 4.386 0.114 19283 936 1 6 . 1 1 3 3 MET CA C 3 55.524 55.524 56.266 -0.742 19283 937 1 6 . 1 1 3 3 MET H H 3 8.398 8.398 7.836 0.562 19283 938 1 6 . 1 1 4 4 ILE N N 4 122.503 122.503 118.295 4.208 19283 939 1 6 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.317 -0.112 19283 940 1 6 . 1 1 4 4 ILE CA C 4 60.941 60.941 61.277 -0.336 19283 941 1 6 . 1 1 4 4 ILE CB C 4 38.817 38.817 40.044 -1.227 19283 942 1 6 . 1 1 4 4 ILE H H 4 8.162 8.162 7.490 0.672 19283 943 1 6 . 1 1 5 5 THR N N 5 121.702 121.702 118.833 2.869 19283 944 1 6 . 1 1 5 5 THR HA H 5 4.582 4.582 4.162 0.420 19283 945 1 6 . 1 1 5 5 THR CA C 5 59.724 59.724 62.145 -2.421 19283 946 1 6 . 1 1 5 5 THR CB C 5 69.776 69.776 67.718 2.058 19283 947 1 6 . 1 1 5 5 THR H H 5 8.278 8.278 8.657 -0.379 19283 948 1 6 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.577 -0.162 19283 949 1 6 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.628 0.604 19283 950 1 6 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.314 0.129 19283 951 1 6 . 1 1 7 7 SER N N 7 116.292 116.292 114.184 2.108 19283 952 1 6 . 1 1 7 7 SER HA H 7 4.467 4.467 4.536 -0.069 19283 953 1 6 . 1 1 7 7 SER CA C 7 58.535 58.535 57.830 0.705 19283 954 1 6 . 1 1 7 7 SER H H 7 8.337 8.337 8.481 -0.144 19283 955 1 6 . 1 1 8 8 CYS N N 8 119.603 119.603 119.506 0.097 19283 956 1 6 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.600 0.191 19283 957 1 6 . 1 1 8 8 CYS CA C 8 52.736 52.736 57.185 -4.449 19283 958 1 6 . 1 1 8 8 CYS CB C 8 40.977 40.977 28.751 12.226 19283 959 1 6 . 1 1 8 8 CYS H H 8 8.381 8.381 7.974 0.407 19283 960 1 6 . 1 1 9 9 GLN N N 9 121.666 121.666 123.285 -1.619 19283 961 1 6 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.412 -0.223 19283 962 1 6 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.691 -0.280 19283 963 1 6 . 1 1 9 9 GLN CB C 9 29.646 29.646 31.484 -1.838 19283 964 1 6 . 1 1 9 9 GLN H H 9 8.849 8.849 8.384 0.465 19283 965 1 6 . 1 1 10 10 LYS N N 10 121.116 121.116 123.592 -2.476 19283 966 1 6 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.121 0.026 19283 967 1 6 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.691 1.804 19283 968 1 6 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.685 -0.442 19283 969 1 6 . 1 1 10 10 LYS H H 10 8.404 8.404 8.958 -0.554 19283 970 1 6 . 1 1 11 11 GLY N N 11 112.504 112.504 112.857 -0.353 19283 971 1 6 . 1 1 11 11 GLY CA C 11 45.286 45.286 45.225 0.061 19283 972 1 6 . 1 1 11 11 GLY H H 11 9.046 9.046 8.699 0.347 19283 973 1 6 . 1 1 12 12 TYR N N 12 122.192 122.192 123.283 -1.091 19283 974 1 6 . 1 1 12 12 TYR HA H 12 5.310 5.310 5.099 0.211 19283 975 1 6 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.043 -2.659 19283 976 1 6 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.661 1.422 19283 977 1 6 . 1 1 12 12 TYR H H 12 8.449 8.449 7.679 0.770 19283 978 1 6 . 1 1 13 13 PHE N N 13 119.921 119.921 117.585 2.336 19283 979 1 6 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.041 0.173 19283 980 1 6 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.150 0.428 19283 981 1 6 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.889 0.295 19283 982 1 6 . 1 1 13 13 PHE H H 13 9.541 9.541 8.354 1.187 19283 983 1 6 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.513 0.551 19283 984 1 6 . 1 1 14 14 PRO CA C 14 62.163 62.163 61.833 0.330 19283 985 1 6 . 1 1 14 14 PRO CB C 14 32.885 32.885 32.018 0.867 19283 986 1 6 . 1 1 15 15 CYS N N 15 119.902 119.902 123.553 -3.651 19283 987 1 6 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.906 0.921 19283 988 1 6 . 1 1 15 15 CYS CA C 15 55.136 55.136 60.059 -4.923 19283 989 1 6 . 1 1 15 15 CYS CB C 15 38.087 38.087 24.351 13.736 19283 990 1 6 . 1 1 15 15 CYS H H 15 8.183 8.183 8.516 -0.333 19283 991 1 6 . 1 1 16 16 GLY N N 16 112.243 112.243 115.084 -2.841 19283 992 1 6 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.317 -0.159 19283 993 1 6 . 1 1 16 16 GLY H H 16 8.055 8.055 8.703 -0.648 19283 994 1 6 . 1 1 17 17 ASN N N 17 123.356 123.356 121.501 1.855 19283 995 1 6 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.915 -0.330 19283 996 1 6 . 1 1 17 17 ASN CA C 17 53.554 53.554 52.690 0.864 19283 997 1 6 . 1 1 17 17 ASN CB C 17 38.014 38.014 40.010 -1.996 19283 998 1 6 . 1 1 17 17 ASN H H 17 8.674 8.674 8.230 0.444 19283 999 1 6 . 1 1 18 18 LEU N N 18 119.935 119.935 120.991 -1.056 19283 1000 1 6 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.241 0.252 19283 1001 1 6 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.696 -1.360 19283 1002 1 6 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.508 0.547 19283 1003 1 6 . 1 1 18 18 LEU H H 18 7.693 7.693 7.693 0.000 19283 1004 1 6 . 1 1 19 19 THR N N 19 113.712 113.712 111.618 2.094 19283 1005 1 6 . 1 1 19 19 THR HA H 19 4.074 4.074 4.350 -0.276 19283 1006 1 6 . 1 1 19 19 THR CA C 19 61.657 61.657 61.487 0.170 19283 1007 1 6 . 1 1 19 19 THR CB C 19 68.103 68.103 68.613 -0.510 19283 1008 1 6 . 1 1 19 19 THR H H 19 8.202 8.202 8.141 0.061 19283 1009 1 6 . 1 1 20 20 LYS N N 20 123.274 123.274 121.639 1.635 19283 1010 1 6 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.369 -0.110 19283 1011 1 6 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.746 0.786 19283 1012 1 6 . 1 1 20 20 LYS CB C 20 34.993 34.993 34.098 0.895 19283 1013 1 6 . 1 1 20 20 LYS H H 20 7.480 7.480 7.577 -0.097 19283 1014 1 6 . 1 1 21 21 CYS N N 21 123.003 123.003 122.103 0.900 19283 1015 1 6 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.279 0.047 19283 1016 1 6 . 1 1 21 21 CYS CA C 21 54.861 54.861 57.883 -3.022 19283 1017 1 6 . 1 1 21 21 CYS CB C 21 45.734 45.734 28.249 17.485 19283 1018 1 6 . 1 1 21 21 CYS H H 21 8.489 8.489 8.606 -0.117 19283 1019 1 6 . 1 1 22 22 LEU N N 22 122.788 122.788 127.556 -4.768 19283 1020 1 6 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.815 0.083 19283 1021 1 6 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.363 -0.911 19283 1022 1 6 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.496 1.557 19283 1023 1 6 . 1 1 22 22 LEU H H 22 8.853 8.853 8.365 0.488 19283 1024 1 6 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.668 0.931 19283 1025 1 6 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.729 0.920 19283 1026 1 6 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.270 -0.296 19283 1027 1 6 . 1 1 24 24 ARG N N 24 121.052 121.052 119.533 1.519 19283 1028 1 6 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.351 -0.304 19283 1029 1 6 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.657 1.061 19283 1030 1 6 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.092 0.897 19283 1031 1 6 . 1 1 24 24 ARG H H 24 8.029 8.029 8.264 -0.235 19283 1032 1 6 . 1 1 25 25 ALA N N 25 121.473 121.473 121.013 0.460 19283 1033 1 6 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.290 -0.183 19283 1034 1 6 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.493 1.323 19283 1035 1 6 . 1 1 25 25 ALA H H 25 8.513 8.513 8.280 0.233 19283 1036 1 6 . 1 1 26 26 PHE N N 26 112.036 112.036 115.223 -3.187 19283 1037 1 6 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.173 0.767 19283 1038 1 6 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.700 -1.309 19283 1039 1 6 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.450 -0.838 19283 1040 1 6 . 1 1 26 26 PHE H H 26 7.973 7.973 7.414 0.559 19283 1041 1 6 . 1 1 27 27 HIS N N 27 125.821 125.821 120.844 4.977 19283 1042 1 6 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.502 1.217 19283 1043 1 6 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.005 0.424 19283 1044 1 6 . 1 1 27 27 HIS H H 27 8.535 8.535 7.289 1.246 19283 1045 1 6 . 1 1 28 28 CYS N N 28 125.400 125.400 125.180 0.220 19283 1046 1 6 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.015 0.668 19283 1047 1 6 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.337 -2.972 19283 1048 1 6 . 1 1 28 28 CYS CB C 28 36.346 36.346 24.915 11.431 19283 1049 1 6 . 1 1 28 28 CYS H H 28 8.840 8.840 8.231 0.609 19283 1050 1 6 . 1 1 29 29 ASP N N 29 120.999 120.999 122.294 -1.295 19283 1051 1 6 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.513 0.293 19283 1052 1 6 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.537 -1.699 19283 1053 1 6 . 1 1 29 29 ASP CB C 29 41.416 41.416 41.570 -0.154 19283 1054 1 6 . 1 1 29 29 ASP H H 29 9.539 9.539 8.591 0.948 19283 1055 1 6 . 1 1 30 30 GLY N N 30 110.119 110.119 106.657 3.462 19283 1056 1 6 . 1 1 30 30 GLY CA C 30 45.588 45.588 44.977 0.611 19283 1057 1 6 . 1 1 30 30 GLY H H 30 9.267 9.267 8.449 0.818 19283 1058 1 6 . 1 1 31 31 LYS N N 31 115.357 115.357 119.002 -3.645 19283 1059 1 6 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.568 0.188 19283 1060 1 6 . 1 1 31 31 LYS CB C 31 35.004 35.004 33.965 1.039 19283 1061 1 6 . 1 1 31 31 LYS H H 31 7.306 7.306 7.761 -0.455 19283 1062 1 6 . 1 1 32 32 ASP N N 32 125.726 125.726 120.326 5.400 19283 1063 1 6 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.561 0.123 19283 1064 1 6 . 1 1 32 32 ASP CA C 32 53.708 53.708 55.164 -1.456 19283 1065 1 6 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.162 -1.419 19283 1066 1 6 . 1 1 32 32 ASP H H 32 9.038 9.038 8.565 0.473 19283 1067 1 6 . 1 1 33 33 ASP N N 33 128.314 128.314 121.918 6.396 19283 1068 1 6 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.788 -0.159 19283 1069 1 6 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.062 0.560 19283 1070 1 6 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.240 2.546 19283 1071 1 6 . 1 1 33 33 ASP H H 33 10.711 10.711 8.716 1.995 19283 1072 1 6 . 1 1 34 34 CYS N N 34 119.401 119.401 117.960 1.441 19283 1073 1 6 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.418 -0.049 19283 1074 1 6 . 1 1 34 34 CYS CA C 34 58.015 58.015 60.469 -2.454 19283 1075 1 6 . 1 1 34 34 CYS CB C 34 41.263 41.263 29.422 11.841 19283 1076 1 6 . 1 1 34 34 CYS H H 34 8.882 8.882 8.681 0.201 19283 1077 1 6 . 1 1 35 35 GLY N N 35 111.158 111.158 108.538 2.620 19283 1078 1 6 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.540 -0.487 19283 1079 1 6 . 1 1 35 35 GLY H H 35 9.647 9.647 8.637 1.010 19283 1080 1 6 . 1 1 36 36 ASN N N 36 116.001 116.001 119.733 -3.732 19283 1081 1 6 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.742 0.142 19283 1082 1 6 . 1 1 36 36 ASN CA C 36 51.306 51.306 52.987 -1.681 19283 1083 1 6 . 1 1 36 36 ASN CB C 36 39.160 39.160 38.692 0.468 19283 1084 1 6 . 1 1 36 36 ASN H H 36 7.280 7.280 8.454 -1.174 19283 1085 1 6 . 1 1 37 37 GLY N N 37 110.006 110.006 107.547 2.459 19283 1086 1 6 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.034 0.648 19283 1087 1 6 . 1 1 37 37 GLY H H 37 9.215 9.215 8.288 0.927 19283 1088 1 6 . 1 1 38 38 ALA N N 38 122.734 122.734 122.688 0.046 19283 1089 1 6 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.605 -0.504 19283 1090 1 6 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.720 3.160 19283 1091 1 6 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.915 -0.777 19283 1092 1 6 . 1 1 38 38 ALA H H 38 7.953 7.953 7.970 -0.017 19283 1093 1 6 . 1 1 39 39 ASP N N 39 110.255 110.255 120.172 -9.917 19283 1094 1 6 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.710 -0.227 19283 1095 1 6 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.976 -2.508 19283 1096 1 6 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.527 -0.758 19283 1097 1 6 . 1 1 39 39 ASP H H 39 10.386 10.386 8.825 1.561 19283 1098 1 6 . 1 1 40 40 GLU N N 40 117.907 117.907 118.382 -0.475 19283 1099 1 6 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.119 0.543 19283 1100 1 6 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.667 -4.313 19283 1101 1 6 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.587 0.646 19283 1102 1 6 . 1 1 40 40 GLU H H 40 7.679 7.679 8.754 -1.075 19283 1103 1 6 . 1 1 41 41 GLU N N 41 120.082 120.082 118.299 1.783 19283 1104 1 6 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.338 0.004 19283 1105 1 6 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.076 -0.227 19283 1106 1 6 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.190 1.342 19283 1107 1 6 . 1 1 41 41 GLU H H 41 6.964 6.964 7.667 -0.703 19283 1108 1 6 . 1 1 42 42 ASN N N 42 117.487 117.487 116.010 1.477 19283 1109 1 6 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.422 0.075 19283 1110 1 6 . 1 1 42 42 ASN CB C 42 37.147 37.147 38.181 -1.034 19283 1111 1 6 . 1 1 42 42 ASN H H 42 9.008 9.008 8.810 0.198 19283 1112 1 6 . 1 1 43 43 CYS N N 43 117.347 117.347 115.122 2.225 19283 1113 1 6 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.685 -0.083 19283 1114 1 6 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.394 -3.391 19283 1115 1 6 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.282 12.154 19283 1116 1 6 . 1 1 43 43 CYS H H 43 8.294 8.294 8.218 0.076 19283 1117 1 7 . 1 1 2 2 SER HA H 2 4.450 4.450 4.344 0.106 19283 1118 1 7 . 1 1 2 2 SER CA C 2 58.088 58.088 58.231 -0.143 19283 1119 1 7 . 1 1 2 2 SER CB C 2 64.021 64.021 63.656 0.365 19283 1120 1 7 . 1 1 3 3 MET N N 3 122.320 122.320 119.141 3.179 19283 1121 1 7 . 1 1 3 3 MET HA H 3 4.500 4.500 4.451 0.049 19283 1122 1 7 . 1 1 3 3 MET CA C 3 55.524 55.524 56.150 -0.626 19283 1123 1 7 . 1 1 3 3 MET H H 3 8.398 8.398 8.403 -0.005 19283 1124 1 7 . 1 1 4 4 ILE N N 4 122.503 122.503 115.999 6.504 19283 1125 1 7 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.468 -0.263 19283 1126 1 7 . 1 1 4 4 ILE CA C 4 60.941 60.941 60.303 0.638 19283 1127 1 7 . 1 1 4 4 ILE CB C 4 38.817 38.817 40.514 -1.697 19283 1128 1 7 . 1 1 4 4 ILE H H 4 8.162 8.162 7.672 0.490 19283 1129 1 7 . 1 1 5 5 THR N N 5 121.702 121.702 114.163 7.539 19283 1130 1 7 . 1 1 5 5 THR HA H 5 4.582 4.582 4.793 -0.211 19283 1131 1 7 . 1 1 5 5 THR CA C 5 59.724 59.724 59.059 0.665 19283 1132 1 7 . 1 1 5 5 THR CB C 5 69.776 69.776 68.874 0.902 19283 1133 1 7 . 1 1 5 5 THR H H 5 8.278 8.278 8.420 -0.142 19283 1134 1 7 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.618 -0.203 19283 1135 1 7 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.959 0.273 19283 1136 1 7 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.711 -0.267 19283 1137 1 7 . 1 1 7 7 SER N N 7 116.292 116.292 115.006 1.286 19283 1138 1 7 . 1 1 7 7 SER HA H 7 4.467 4.467 4.524 -0.057 19283 1139 1 7 . 1 1 7 7 SER CA C 7 58.535 58.535 58.427 0.108 19283 1140 1 7 . 1 1 7 7 SER H H 7 8.337 8.337 8.615 -0.278 19283 1141 1 7 . 1 1 8 8 CYS N N 8 119.603 119.603 119.001 0.602 19283 1142 1 7 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.906 -0.115 19283 1143 1 7 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.102 -5.366 19283 1144 1 7 . 1 1 8 8 CYS CB C 8 40.977 40.977 29.772 11.205 19283 1145 1 7 . 1 1 8 8 CYS H H 8 8.381 8.381 8.345 0.036 19283 1146 1 7 . 1 1 9 9 GLN N N 9 121.666 121.666 119.829 1.837 19283 1147 1 7 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.584 -0.395 19283 1148 1 7 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.300 0.111 19283 1149 1 7 . 1 1 9 9 GLN CB C 9 29.646 29.646 30.430 -0.784 19283 1150 1 7 . 1 1 9 9 GLN H H 9 8.849 8.849 8.375 0.474 19283 1151 1 7 . 1 1 10 10 LYS N N 10 121.116 121.116 118.053 3.063 19283 1152 1 7 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.002 0.145 19283 1153 1 7 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.940 1.555 19283 1154 1 7 . 1 1 10 10 LYS CB C 10 32.243 32.243 30.699 1.544 19283 1155 1 7 . 1 1 10 10 LYS H H 10 8.404 8.404 9.019 -0.615 19283 1156 1 7 . 1 1 11 11 GLY N N 11 112.504 112.504 103.208 9.296 19283 1157 1 7 . 1 1 11 11 GLY CA C 11 45.286 45.286 44.922 0.364 19283 1158 1 7 . 1 1 11 11 GLY H H 11 9.046 9.046 8.512 0.534 19283 1159 1 7 . 1 1 12 12 TYR N N 12 122.192 122.192 121.704 0.488 19283 1160 1 7 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.897 0.413 19283 1161 1 7 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.788 -3.404 19283 1162 1 7 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.264 1.819 19283 1163 1 7 . 1 1 12 12 TYR H H 12 8.449 8.449 7.757 0.692 19283 1164 1 7 . 1 1 13 13 PHE N N 13 119.921 119.921 117.370 2.551 19283 1165 1 7 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.040 0.174 19283 1166 1 7 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.151 0.427 19283 1167 1 7 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.724 0.460 19283 1168 1 7 . 1 1 13 13 PHE H H 13 9.541 9.541 8.416 1.125 19283 1169 1 7 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.680 0.384 19283 1170 1 7 . 1 1 14 14 PRO CA C 14 62.163 62.163 61.679 0.484 19283 1171 1 7 . 1 1 14 14 PRO CB C 14 32.885 32.885 32.054 0.830 19283 1172 1 7 . 1 1 15 15 CYS N N 15 119.902 119.902 123.167 -3.265 19283 1173 1 7 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.889 0.938 19283 1174 1 7 . 1 1 15 15 CYS CA C 15 55.136 55.136 60.124 -4.988 19283 1175 1 7 . 1 1 15 15 CYS CB C 15 38.087 38.087 24.361 13.726 19283 1176 1 7 . 1 1 15 15 CYS H H 15 8.183 8.183 8.448 -0.265 19283 1177 1 7 . 1 1 16 16 GLY N N 16 112.243 112.243 115.101 -2.858 19283 1178 1 7 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.228 -0.070 19283 1179 1 7 . 1 1 16 16 GLY H H 16 8.055 8.055 8.721 -0.666 19283 1180 1 7 . 1 1 17 17 ASN N N 17 123.356 123.356 121.757 1.599 19283 1181 1 7 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.865 -0.280 19283 1182 1 7 . 1 1 17 17 ASN CA C 17 53.554 53.554 52.894 0.660 19283 1183 1 7 . 1 1 17 17 ASN CB C 17 38.014 38.014 40.468 -2.454 19283 1184 1 7 . 1 1 17 17 ASN H H 17 8.674 8.674 8.156 0.518 19283 1185 1 7 . 1 1 18 18 LEU N N 18 119.935 119.935 121.088 -1.153 19283 1186 1 7 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.279 0.214 19283 1187 1 7 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.734 -1.398 19283 1188 1 7 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.495 0.560 19283 1189 1 7 . 1 1 18 18 LEU H H 18 7.693 7.693 7.704 -0.011 19283 1190 1 7 . 1 1 19 19 THR N N 19 113.712 113.712 112.556 1.156 19283 1191 1 7 . 1 1 19 19 THR HA H 19 4.074 4.074 4.292 -0.218 19283 1192 1 7 . 1 1 19 19 THR CA C 19 61.657 61.657 61.610 0.047 19283 1193 1 7 . 1 1 19 19 THR CB C 19 68.103 68.103 68.482 -0.379 19283 1194 1 7 . 1 1 19 19 THR H H 19 8.202 8.202 8.176 0.026 19283 1195 1 7 . 1 1 20 20 LYS N N 20 123.274 123.274 121.394 1.880 19283 1196 1 7 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.371 -0.112 19283 1197 1 7 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.362 1.170 19283 1198 1 7 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.900 1.093 19283 1199 1 7 . 1 1 20 20 LYS H H 20 7.480 7.480 7.570 -0.090 19283 1200 1 7 . 1 1 21 21 CYS N N 21 123.003 123.003 121.811 1.192 19283 1201 1 7 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.258 0.068 19283 1202 1 7 . 1 1 21 21 CYS CA C 21 54.861 54.861 57.948 -3.087 19283 1203 1 7 . 1 1 21 21 CYS CB C 21 45.734 45.734 28.063 17.671 19283 1204 1 7 . 1 1 21 21 CYS H H 21 8.489 8.489 8.594 -0.105 19283 1205 1 7 . 1 1 22 22 LEU N N 22 122.788 122.788 127.553 -4.765 19283 1206 1 7 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.828 0.070 19283 1207 1 7 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.328 -0.876 19283 1208 1 7 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.588 1.465 19283 1209 1 7 . 1 1 22 22 LEU H H 22 8.853 8.853 8.532 0.321 19283 1210 1 7 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.702 0.897 19283 1211 1 7 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.810 0.839 19283 1212 1 7 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.122 -0.148 19283 1213 1 7 . 1 1 24 24 ARG N N 24 121.052 121.052 119.343 1.709 19283 1214 1 7 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.302 -0.255 19283 1215 1 7 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.652 1.066 19283 1216 1 7 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.084 0.905 19283 1217 1 7 . 1 1 24 24 ARG H H 24 8.029 8.029 8.383 -0.354 19283 1218 1 7 . 1 1 25 25 ALA N N 25 121.473 121.473 121.032 0.441 19283 1219 1 7 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.280 -0.173 19283 1220 1 7 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.460 1.356 19283 1221 1 7 . 1 1 25 25 ALA H H 25 8.513 8.513 8.263 0.250 19283 1222 1 7 . 1 1 26 26 PHE N N 26 112.036 112.036 115.559 -3.523 19283 1223 1 7 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.232 0.708 19283 1224 1 7 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.745 -1.355 19283 1225 1 7 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.599 -0.987 19283 1226 1 7 . 1 1 26 26 PHE H H 26 7.973 7.973 7.364 0.609 19283 1227 1 7 . 1 1 27 27 HIS N N 27 125.821 125.821 120.932 4.889 19283 1228 1 7 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.482 1.237 19283 1229 1 7 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.015 0.414 19283 1230 1 7 . 1 1 27 27 HIS H H 27 8.535 8.535 7.283 1.252 19283 1231 1 7 . 1 1 28 28 CYS N N 28 125.400 125.400 125.116 0.284 19283 1232 1 7 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.025 0.658 19283 1233 1 7 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.810 -3.445 19283 1234 1 7 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.226 11.120 19283 1235 1 7 . 1 1 28 28 CYS H H 28 8.840 8.840 8.135 0.705 19283 1236 1 7 . 1 1 29 29 ASP N N 29 120.999 120.999 124.085 -3.086 19283 1237 1 7 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.555 0.251 19283 1238 1 7 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.406 -1.568 19283 1239 1 7 . 1 1 29 29 ASP CB C 29 41.416 41.416 42.363 -0.947 19283 1240 1 7 . 1 1 29 29 ASP H H 29 9.539 9.539 8.559 0.980 19283 1241 1 7 . 1 1 30 30 GLY N N 30 110.119 110.119 107.553 2.566 19283 1242 1 7 . 1 1 30 30 GLY CA C 30 45.588 45.588 44.943 0.645 19283 1243 1 7 . 1 1 30 30 GLY H H 30 9.267 9.267 8.408 0.859 19283 1244 1 7 . 1 1 31 31 LYS N N 31 115.357 115.357 120.822 -5.465 19283 1245 1 7 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.644 0.112 19283 1246 1 7 . 1 1 31 31 LYS CB C 31 35.004 35.004 35.270 -0.265 19283 1247 1 7 . 1 1 31 31 LYS H H 31 7.306 7.306 7.946 -0.640 19283 1248 1 7 . 1 1 32 32 ASP N N 32 125.726 125.726 120.000 5.726 19283 1249 1 7 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.659 0.025 19283 1250 1 7 . 1 1 32 32 ASP CA C 32 53.708 53.708 54.728 -1.020 19283 1251 1 7 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.318 -1.575 19283 1252 1 7 . 1 1 32 32 ASP H H 32 9.038 9.038 8.546 0.492 19283 1253 1 7 . 1 1 33 33 ASP N N 33 128.314 128.314 122.536 5.778 19283 1254 1 7 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.767 -0.138 19283 1255 1 7 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.077 0.545 19283 1256 1 7 . 1 1 33 33 ASP CB C 33 44.786 44.786 41.727 3.059 19283 1257 1 7 . 1 1 33 33 ASP H H 33 10.711 10.711 8.777 1.934 19283 1258 1 7 . 1 1 34 34 CYS N N 34 119.401 119.401 119.055 0.346 19283 1259 1 7 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.409 -0.040 19283 1260 1 7 . 1 1 34 34 CYS CA C 34 58.015 58.015 60.178 -2.163 19283 1261 1 7 . 1 1 34 34 CYS CB C 34 41.263 41.263 29.376 11.887 19283 1262 1 7 . 1 1 34 34 CYS H H 34 8.882 8.882 8.763 0.119 19283 1263 1 7 . 1 1 35 35 GLY N N 35 111.158 111.158 107.532 3.626 19283 1264 1 7 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.913 -0.859 19283 1265 1 7 . 1 1 35 35 GLY H H 35 9.647 9.647 8.479 1.168 19283 1266 1 7 . 1 1 36 36 ASN N N 36 116.001 116.001 119.741 -3.740 19283 1267 1 7 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.744 0.140 19283 1268 1 7 . 1 1 36 36 ASN CA C 36 51.306 51.306 53.019 -1.713 19283 1269 1 7 . 1 1 36 36 ASN CB C 36 39.160 39.160 38.834 0.326 19283 1270 1 7 . 1 1 36 36 ASN H H 36 7.280 7.280 8.455 -1.175 19283 1271 1 7 . 1 1 37 37 GLY N N 37 110.006 110.006 107.705 2.301 19283 1272 1 7 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.037 0.645 19283 1273 1 7 . 1 1 37 37 GLY H H 37 9.215 9.215 8.291 0.924 19283 1274 1 7 . 1 1 38 38 ALA N N 38 122.734 122.734 122.701 0.033 19283 1275 1 7 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.607 -0.506 19283 1276 1 7 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.711 3.169 19283 1277 1 7 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.898 -0.760 19283 1278 1 7 . 1 1 38 38 ALA H H 38 7.953 7.953 7.952 0.001 19283 1279 1 7 . 1 1 39 39 ASP N N 39 110.255 110.255 120.064 -9.809 19283 1280 1 7 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.771 -0.288 19283 1281 1 7 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.645 -2.177 19283 1282 1 7 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.524 -0.755 19283 1283 1 7 . 1 1 39 39 ASP H H 39 10.386 10.386 8.762 1.624 19283 1284 1 7 . 1 1 40 40 GLU N N 40 117.907 117.907 118.334 -0.427 19283 1285 1 7 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.114 0.548 19283 1286 1 7 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.696 -4.342 19283 1287 1 7 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.598 0.635 19283 1288 1 7 . 1 1 40 40 GLU H H 40 7.679 7.679 8.734 -1.055 19283 1289 1 7 . 1 1 41 41 GLU N N 41 120.082 120.082 117.861 2.221 19283 1290 1 7 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.225 0.117 19283 1291 1 7 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.369 -0.520 19283 1292 1 7 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.279 1.253 19283 1293 1 7 . 1 1 41 41 GLU H H 41 6.964 6.964 7.663 -0.699 19283 1294 1 7 . 1 1 42 42 ASN N N 42 117.487 117.487 113.210 4.277 19283 1295 1 7 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.447 0.050 19283 1296 1 7 . 1 1 42 42 ASN CB C 42 37.147 37.147 36.946 0.201 19283 1297 1 7 . 1 1 42 42 ASN H H 42 9.008 9.008 8.804 0.204 19283 1298 1 7 . 1 1 43 43 CYS N N 43 117.347 117.347 115.866 1.481 19283 1299 1 7 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.593 0.009 19283 1300 1 7 . 1 1 43 43 CYS CA C 43 55.003 55.003 59.273 -4.270 19283 1301 1 7 . 1 1 43 43 CYS CB C 43 39.436 39.436 26.478 12.958 19283 1302 1 7 . 1 1 43 43 CYS H H 43 8.294 8.294 8.280 0.014 19283 1303 1 8 . 1 1 2 2 SER HA H 2 4.450 4.450 4.931 -0.481 19283 1304 1 8 . 1 1 2 2 SER CA C 2 58.088 58.088 58.087 0.001 19283 1305 1 8 . 1 1 2 2 SER CB C 2 64.021 64.021 64.475 -0.454 19283 1306 1 8 . 1 1 3 3 MET N N 3 122.320 122.320 124.650 -2.330 19283 1307 1 8 . 1 1 3 3 MET HA H 3 4.500 4.500 4.788 -0.288 19283 1308 1 8 . 1 1 3 3 MET CA C 3 55.524 55.524 55.198 0.326 19283 1309 1 8 . 1 1 3 3 MET H H 3 8.398 8.398 8.922 -0.524 19283 1310 1 8 . 1 1 4 4 ILE N N 4 122.503 122.503 119.146 3.357 19283 1311 1 8 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.912 -0.707 19283 1312 1 8 . 1 1 4 4 ILE CA C 4 60.941 60.941 60.199 0.742 19283 1313 1 8 . 1 1 4 4 ILE CB C 4 38.817 38.817 41.635 -2.818 19283 1314 1 8 . 1 1 4 4 ILE H H 4 8.162 8.162 8.529 -0.367 19283 1315 1 8 . 1 1 5 5 THR N N 5 121.702 121.702 115.580 6.122 19283 1316 1 8 . 1 1 5 5 THR HA H 5 4.582 4.582 4.545 0.037 19283 1317 1 8 . 1 1 5 5 THR CA C 5 59.724 59.724 60.442 -0.718 19283 1318 1 8 . 1 1 5 5 THR CB C 5 69.776 69.776 68.553 1.223 19283 1319 1 8 . 1 1 5 5 THR H H 5 8.278 8.278 8.262 0.016 19283 1320 1 8 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.628 -0.213 19283 1321 1 8 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.934 0.298 19283 1322 1 8 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.757 -0.313 19283 1323 1 8 . 1 1 7 7 SER N N 7 116.292 116.292 115.549 0.743 19283 1324 1 8 . 1 1 7 7 SER HA H 7 4.467 4.467 4.536 -0.069 19283 1325 1 8 . 1 1 7 7 SER CA C 7 58.535 58.535 58.330 0.205 19283 1326 1 8 . 1 1 7 7 SER H H 7 8.337 8.337 8.387 -0.050 19283 1327 1 8 . 1 1 8 8 CYS N N 8 119.603 119.603 118.614 0.989 19283 1328 1 8 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.627 0.164 19283 1329 1 8 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.609 -5.873 19283 1330 1 8 . 1 1 8 8 CYS CB C 8 40.977 40.977 29.284 11.693 19283 1331 1 8 . 1 1 8 8 CYS H H 8 8.381 8.381 7.896 0.485 19283 1332 1 8 . 1 1 9 9 GLN N N 9 121.666 121.666 122.033 -0.367 19283 1333 1 8 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.568 -0.379 19283 1334 1 8 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.178 0.233 19283 1335 1 8 . 1 1 9 9 GLN CB C 9 29.646 29.646 32.251 -2.605 19283 1336 1 8 . 1 1 9 9 GLN H H 9 8.849 8.849 8.402 0.447 19283 1337 1 8 . 1 1 10 10 LYS N N 10 121.116 121.116 118.037 3.079 19283 1338 1 8 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.048 0.099 19283 1339 1 8 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.867 1.627 19283 1340 1 8 . 1 1 10 10 LYS CB C 10 32.243 32.243 31.824 0.419 19283 1341 1 8 . 1 1 10 10 LYS H H 10 8.404 8.404 8.476 -0.072 19283 1342 1 8 . 1 1 11 11 GLY N N 11 112.504 112.504 105.075 7.429 19283 1343 1 8 . 1 1 11 11 GLY CA C 11 45.286 45.286 46.079 -0.793 19283 1344 1 8 . 1 1 11 11 GLY H H 11 9.046 9.046 8.539 0.507 19283 1345 1 8 . 1 1 12 12 TYR N N 12 122.192 122.192 119.669 2.523 19283 1346 1 8 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.749 0.561 19283 1347 1 8 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.485 -3.101 19283 1348 1 8 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.300 1.783 19283 1349 1 8 . 1 1 12 12 TYR H H 12 8.449 8.449 7.704 0.745 19283 1350 1 8 . 1 1 13 13 PHE N N 13 119.921 119.921 117.128 2.793 19283 1351 1 8 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.044 0.170 19283 1352 1 8 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.018 0.560 19283 1353 1 8 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.737 0.447 19283 1354 1 8 . 1 1 13 13 PHE H H 13 9.541 9.541 8.390 1.151 19283 1355 1 8 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.708 0.356 19283 1356 1 8 . 1 1 14 14 PRO CA C 14 62.163 62.163 61.659 0.504 19283 1357 1 8 . 1 1 14 14 PRO CB C 14 32.885 32.885 32.024 0.861 19283 1358 1 8 . 1 1 15 15 CYS N N 15 119.902 119.902 123.174 -3.272 19283 1359 1 8 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.896 0.931 19283 1360 1 8 . 1 1 15 15 CYS CA C 15 55.136 55.136 60.166 -5.030 19283 1361 1 8 . 1 1 15 15 CYS CB C 15 38.087 38.087 24.479 13.608 19283 1362 1 8 . 1 1 15 15 CYS H H 15 8.183 8.183 8.353 -0.170 19283 1363 1 8 . 1 1 16 16 GLY N N 16 112.243 112.243 114.653 -2.410 19283 1364 1 8 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.203 -0.045 19283 1365 1 8 . 1 1 16 16 GLY H H 16 8.055 8.055 8.662 -0.607 19283 1366 1 8 . 1 1 17 17 ASN N N 17 123.356 123.356 121.909 1.447 19283 1367 1 8 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.769 -0.184 19283 1368 1 8 . 1 1 17 17 ASN CA C 17 53.554 53.554 52.759 0.795 19283 1369 1 8 . 1 1 17 17 ASN CB C 17 38.014 38.014 40.151 -2.137 19283 1370 1 8 . 1 1 17 17 ASN H H 17 8.674 8.674 8.186 0.488 19283 1371 1 8 . 1 1 18 18 LEU N N 18 119.935 119.935 120.706 -0.771 19283 1372 1 8 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.284 0.209 19283 1373 1 8 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.761 -1.425 19283 1374 1 8 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.559 0.496 19283 1375 1 8 . 1 1 18 18 LEU H H 18 7.693 7.693 7.808 -0.115 19283 1376 1 8 . 1 1 19 19 THR N N 19 113.712 113.712 111.815 1.897 19283 1377 1 8 . 1 1 19 19 THR HA H 19 4.074 4.074 4.305 -0.231 19283 1378 1 8 . 1 1 19 19 THR CA C 19 61.657 61.657 61.457 0.200 19283 1379 1 8 . 1 1 19 19 THR CB C 19 68.103 68.103 68.530 -0.427 19283 1380 1 8 . 1 1 19 19 THR H H 19 8.202 8.202 8.197 0.005 19283 1381 1 8 . 1 1 20 20 LYS N N 20 123.274 123.274 121.607 1.667 19283 1382 1 8 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.383 -0.124 19283 1383 1 8 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.594 0.938 19283 1384 1 8 . 1 1 20 20 LYS CB C 20 34.993 34.993 34.118 0.875 19283 1385 1 8 . 1 1 20 20 LYS H H 20 7.480 7.480 7.551 -0.071 19283 1386 1 8 . 1 1 21 21 CYS N N 21 123.003 123.003 120.257 2.746 19283 1387 1 8 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.201 0.125 19283 1388 1 8 . 1 1 21 21 CYS CA C 21 54.861 54.861 58.304 -3.443 19283 1389 1 8 . 1 1 21 21 CYS CB C 21 45.734 45.734 28.044 17.690 19283 1390 1 8 . 1 1 21 21 CYS H H 21 8.489 8.489 8.569 -0.080 19283 1391 1 8 . 1 1 22 22 LEU N N 22 122.788 122.788 127.201 -4.413 19283 1392 1 8 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.759 0.139 19283 1393 1 8 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.699 -1.247 19283 1394 1 8 . 1 1 22 22 LEU CB C 22 45.053 45.053 44.082 0.971 19283 1395 1 8 . 1 1 22 22 LEU H H 22 8.853 8.853 8.513 0.340 19283 1396 1 8 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.681 0.918 19283 1397 1 8 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.793 0.856 19283 1398 1 8 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.347 -0.373 19283 1399 1 8 . 1 1 24 24 ARG N N 24 121.052 121.052 118.898 2.154 19283 1400 1 8 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.331 -0.284 19283 1401 1 8 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.566 1.152 19283 1402 1 8 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.173 0.816 19283 1403 1 8 . 1 1 24 24 ARG H H 24 8.029 8.029 8.380 -0.351 19283 1404 1 8 . 1 1 25 25 ALA N N 25 121.473 121.473 121.010 0.463 19283 1405 1 8 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.284 -0.177 19283 1406 1 8 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.444 1.372 19283 1407 1 8 . 1 1 25 25 ALA H H 25 8.513 8.513 8.267 0.246 19283 1408 1 8 . 1 1 26 26 PHE N N 26 112.036 112.036 114.980 -2.944 19283 1409 1 8 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.221 0.719 19283 1410 1 8 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.829 -1.438 19283 1411 1 8 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.398 -0.786 19283 1412 1 8 . 1 1 26 26 PHE H H 26 7.973 7.973 7.399 0.574 19283 1413 1 8 . 1 1 27 27 HIS N N 27 125.821 125.821 120.644 5.177 19283 1414 1 8 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.487 1.232 19283 1415 1 8 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.117 0.312 19283 1416 1 8 . 1 1 27 27 HIS H H 27 8.535 8.535 7.240 1.295 19283 1417 1 8 . 1 1 28 28 CYS N N 28 125.400 125.400 125.083 0.317 19283 1418 1 8 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.032 0.651 19283 1419 1 8 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.719 -3.354 19283 1420 1 8 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.119 11.227 19283 1421 1 8 . 1 1 28 28 CYS H H 28 8.840 8.840 8.158 0.682 19283 1422 1 8 . 1 1 29 29 ASP N N 29 120.999 120.999 123.652 -2.653 19283 1423 1 8 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.557 0.249 19283 1424 1 8 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.562 -1.724 19283 1425 1 8 . 1 1 29 29 ASP CB C 29 41.416 41.416 42.235 -0.819 19283 1426 1 8 . 1 1 29 29 ASP H H 29 9.539 9.539 8.503 1.036 19283 1427 1 8 . 1 1 30 30 GLY N N 30 110.119 110.119 107.228 2.891 19283 1428 1 8 . 1 1 30 30 GLY CA C 30 45.588 45.588 45.044 0.544 19283 1429 1 8 . 1 1 30 30 GLY H H 30 9.267 9.267 8.454 0.813 19283 1430 1 8 . 1 1 31 31 LYS N N 31 115.357 115.357 120.318 -4.961 19283 1431 1 8 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.605 0.151 19283 1432 1 8 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.416 0.588 19283 1433 1 8 . 1 1 31 31 LYS H H 31 7.306 7.306 7.712 -0.406 19283 1434 1 8 . 1 1 32 32 ASP N N 32 125.726 125.726 121.056 4.670 19283 1435 1 8 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.576 0.108 19283 1436 1 8 . 1 1 32 32 ASP CA C 32 53.708 53.708 55.527 -1.819 19283 1437 1 8 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.056 -1.313 19283 1438 1 8 . 1 1 32 32 ASP H H 32 9.038 9.038 8.501 0.537 19283 1439 1 8 . 1 1 33 33 ASP N N 33 128.314 128.314 121.929 6.385 19283 1440 1 8 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.758 -0.129 19283 1441 1 8 . 1 1 33 33 ASP CA C 33 55.622 55.622 54.774 0.848 19283 1442 1 8 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.164 2.622 19283 1443 1 8 . 1 1 33 33 ASP H H 33 10.711 10.711 8.848 1.863 19283 1444 1 8 . 1 1 34 34 CYS N N 34 119.401 119.401 119.236 0.165 19283 1445 1 8 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.404 -0.035 19283 1446 1 8 . 1 1 34 34 CYS CA C 34 58.015 58.015 60.037 -2.022 19283 1447 1 8 . 1 1 34 34 CYS CB C 34 41.263 41.263 29.276 11.987 19283 1448 1 8 . 1 1 34 34 CYS H H 34 8.882 8.882 8.765 0.117 19283 1449 1 8 . 1 1 35 35 GLY N N 35 111.158 111.158 106.993 4.165 19283 1450 1 8 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.635 -0.581 19283 1451 1 8 . 1 1 35 35 GLY H H 35 9.647 9.647 8.420 1.227 19283 1452 1 8 . 1 1 36 36 ASN N N 36 116.001 116.001 120.235 -4.234 19283 1453 1 8 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.772 0.112 19283 1454 1 8 . 1 1 36 36 ASN CA C 36 51.306 51.306 53.049 -1.743 19283 1455 1 8 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.300 -0.140 19283 1456 1 8 . 1 1 36 36 ASN H H 36 7.280 7.280 8.341 -1.061 19283 1457 1 8 . 1 1 37 37 GLY N N 37 110.006 110.006 106.858 3.148 19283 1458 1 8 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.370 0.312 19283 1459 1 8 . 1 1 37 37 GLY H H 37 9.215 9.215 8.628 0.587 19283 1460 1 8 . 1 1 38 38 ALA N N 38 122.734 122.734 122.143 0.591 19283 1461 1 8 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.501 -0.400 19283 1462 1 8 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.163 3.717 19283 1463 1 8 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.989 -0.851 19283 1464 1 8 . 1 1 38 38 ALA H H 38 7.953 7.953 8.119 -0.166 19283 1465 1 8 . 1 1 39 39 ASP N N 39 110.255 110.255 119.109 -8.854 19283 1466 1 8 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.715 -0.232 19283 1467 1 8 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.605 -2.137 19283 1468 1 8 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.101 -0.332 19283 1469 1 8 . 1 1 39 39 ASP H H 39 10.386 10.386 8.997 1.389 19283 1470 1 8 . 1 1 40 40 GLU N N 40 117.907 117.907 118.686 -0.779 19283 1471 1 8 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.120 0.542 19283 1472 1 8 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.529 -4.175 19283 1473 1 8 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.519 0.714 19283 1474 1 8 . 1 1 40 40 GLU H H 40 7.679 7.679 8.766 -1.087 19283 1475 1 8 . 1 1 41 41 GLU N N 41 120.082 120.082 118.097 1.985 19283 1476 1 8 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.298 0.044 19283 1477 1 8 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.232 -0.383 19283 1478 1 8 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.130 1.402 19283 1479 1 8 . 1 1 41 41 GLU H H 41 6.964 6.964 7.752 -0.788 19283 1480 1 8 . 1 1 42 42 ASN N N 42 117.487 117.487 114.506 2.981 19283 1481 1 8 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.410 0.087 19283 1482 1 8 . 1 1 42 42 ASN CB C 42 37.147 37.147 37.227 -0.080 19283 1483 1 8 . 1 1 42 42 ASN H H 42 9.008 9.008 8.825 0.183 19283 1484 1 8 . 1 1 43 43 CYS N N 43 117.347 117.347 114.953 2.394 19283 1485 1 8 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.582 0.020 19283 1486 1 8 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.509 -3.506 19283 1487 1 8 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.565 11.871 19283 1488 1 8 . 1 1 43 43 CYS H H 43 8.294 8.294 8.195 0.099 19283 1489 1 9 . 1 1 2 2 SER HA H 2 4.450 4.450 4.572 -0.122 19283 1490 1 9 . 1 1 2 2 SER CA C 2 58.088 58.088 58.337 -0.249 19283 1491 1 9 . 1 1 2 2 SER CB C 2 64.021 64.021 63.934 0.087 19283 1492 1 9 . 1 1 3 3 MET N N 3 122.320 122.320 123.114 -0.794 19283 1493 1 9 . 1 1 3 3 MET HA H 3 4.500 4.500 4.663 -0.163 19283 1494 1 9 . 1 1 3 3 MET CA C 3 55.524 55.524 54.941 0.583 19283 1495 1 9 . 1 1 3 3 MET H H 3 8.398 8.398 8.012 0.386 19283 1496 1 9 . 1 1 4 4 ILE N N 4 122.503 122.503 120.242 2.261 19283 1497 1 9 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.595 -0.390 19283 1498 1 9 . 1 1 4 4 ILE CA C 4 60.941 60.941 61.300 -0.359 19283 1499 1 9 . 1 1 4 4 ILE CB C 4 38.817 38.817 39.517 -0.700 19283 1500 1 9 . 1 1 4 4 ILE H H 4 8.162 8.162 8.117 0.045 19283 1501 1 9 . 1 1 5 5 THR N N 5 121.702 121.702 115.996 5.706 19283 1502 1 9 . 1 1 5 5 THR HA H 5 4.582 4.582 4.569 0.013 19283 1503 1 9 . 1 1 5 5 THR CA C 5 59.724 59.724 59.822 -0.098 19283 1504 1 9 . 1 1 5 5 THR CB C 5 69.776 69.776 68.400 1.376 19283 1505 1 9 . 1 1 5 5 THR H H 5 8.278 8.278 8.337 -0.059 19283 1506 1 9 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.580 -0.165 19283 1507 1 9 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.596 0.636 19283 1508 1 9 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.634 -0.191 19283 1509 1 9 . 1 1 7 7 SER N N 7 116.292 116.292 114.692 1.600 19283 1510 1 9 . 1 1 7 7 SER HA H 7 4.467 4.467 4.396 0.071 19283 1511 1 9 . 1 1 7 7 SER CA C 7 58.535 58.535 57.979 0.556 19283 1512 1 9 . 1 1 7 7 SER H H 7 8.337 8.337 8.209 0.128 19283 1513 1 9 . 1 1 8 8 CYS N N 8 119.603 119.603 117.696 1.907 19283 1514 1 9 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.505 0.286 19283 1515 1 9 . 1 1 8 8 CYS CA C 8 52.736 52.736 57.986 -5.250 19283 1516 1 9 . 1 1 8 8 CYS CB C 8 40.977 40.977 29.729 11.248 19283 1517 1 9 . 1 1 8 8 CYS H H 8 8.381 8.381 7.721 0.660 19283 1518 1 9 . 1 1 9 9 GLN N N 9 121.666 121.666 119.705 1.961 19283 1519 1 9 . 1 1 9 9 GLN HA H 9 4.189 4.189 3.916 0.273 19283 1520 1 9 . 1 1 9 9 GLN CA C 9 55.411 55.411 56.732 -1.321 19283 1521 1 9 . 1 1 9 9 GLN CB C 9 29.646 29.646 28.981 0.665 19283 1522 1 9 . 1 1 9 9 GLN H H 9 8.849 8.849 8.691 0.158 19283 1523 1 9 . 1 1 10 10 LYS N N 10 121.116 121.116 118.972 2.144 19283 1524 1 9 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.021 0.126 19283 1525 1 9 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.922 1.573 19283 1526 1 9 . 1 1 10 10 LYS CB C 10 32.243 32.243 30.867 1.376 19283 1527 1 9 . 1 1 10 10 LYS H H 10 8.404 8.404 8.708 -0.304 19283 1528 1 9 . 1 1 11 11 GLY N N 11 112.504 112.504 104.515 7.989 19283 1529 1 9 . 1 1 11 11 GLY CA C 11 45.286 45.286 45.097 0.189 19283 1530 1 9 . 1 1 11 11 GLY H H 11 9.046 9.046 8.326 0.720 19283 1531 1 9 . 1 1 12 12 TYR N N 12 122.192 122.192 122.442 -0.250 19283 1532 1 9 . 1 1 12 12 TYR HA H 12 5.310 5.310 5.205 0.105 19283 1533 1 9 . 1 1 12 12 TYR CA C 12 56.384 56.384 58.574 -2.190 19283 1534 1 9 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.543 1.540 19283 1535 1 9 . 1 1 12 12 TYR H H 12 8.449 8.449 7.583 0.866 19283 1536 1 9 . 1 1 13 13 PHE N N 13 119.921 119.921 117.632 2.289 19283 1537 1 9 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.033 0.181 19283 1538 1 9 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.558 0.020 19283 1539 1 9 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.523 0.661 19283 1540 1 9 . 1 1 13 13 PHE H H 13 9.541 9.541 8.447 1.094 19283 1541 1 9 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.683 0.381 19283 1542 1 9 . 1 1 14 14 PRO CA C 14 62.163 62.163 61.684 0.479 19283 1543 1 9 . 1 1 14 14 PRO CB C 14 32.885 32.885 32.005 0.880 19283 1544 1 9 . 1 1 15 15 CYS N N 15 119.902 119.902 123.278 -3.376 19283 1545 1 9 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.875 0.952 19283 1546 1 9 . 1 1 15 15 CYS CA C 15 55.136 55.136 60.148 -5.012 19283 1547 1 9 . 1 1 15 15 CYS CB C 15 38.087 38.087 24.432 13.655 19283 1548 1 9 . 1 1 15 15 CYS H H 15 8.183 8.183 8.368 -0.185 19283 1549 1 9 . 1 1 16 16 GLY N N 16 112.243 112.243 114.974 -2.731 19283 1550 1 9 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.238 -0.080 19283 1551 1 9 . 1 1 16 16 GLY H H 16 8.055 8.055 8.669 -0.614 19283 1552 1 9 . 1 1 17 17 ASN N N 17 123.356 123.356 121.764 1.592 19283 1553 1 9 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.870 -0.285 19283 1554 1 9 . 1 1 17 17 ASN CA C 17 53.554 53.554 52.781 0.773 19283 1555 1 9 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.934 -1.920 19283 1556 1 9 . 1 1 17 17 ASN H H 17 8.674 8.674 8.363 0.311 19283 1557 1 9 . 1 1 18 18 LEU N N 18 119.935 119.935 120.717 -0.782 19283 1558 1 9 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.304 0.189 19283 1559 1 9 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.736 -1.400 19283 1560 1 9 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.576 0.479 19283 1561 1 9 . 1 1 18 18 LEU H H 18 7.693 7.693 7.840 -0.147 19283 1562 1 9 . 1 1 19 19 THR N N 19 113.712 113.712 112.204 1.508 19283 1563 1 9 . 1 1 19 19 THR HA H 19 4.074 4.074 4.318 -0.244 19283 1564 1 9 . 1 1 19 19 THR CA C 19 61.657 61.657 61.160 0.497 19283 1565 1 9 . 1 1 19 19 THR CB C 19 68.103 68.103 68.447 -0.344 19283 1566 1 9 . 1 1 19 19 THR H H 19 8.202 8.202 8.194 0.008 19283 1567 1 9 . 1 1 20 20 LYS N N 20 123.274 123.274 122.016 1.258 19283 1568 1 9 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.333 -0.074 19283 1569 1 9 . 1 1 20 20 LYS CA C 20 56.532 56.532 56.103 0.429 19283 1570 1 9 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.710 1.283 19283 1571 1 9 . 1 1 20 20 LYS H H 20 7.480 7.480 7.589 -0.109 19283 1572 1 9 . 1 1 21 21 CYS N N 21 123.003 123.003 120.376 2.627 19283 1573 1 9 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.187 0.139 19283 1574 1 9 . 1 1 21 21 CYS CA C 21 54.861 54.861 58.291 -3.430 19283 1575 1 9 . 1 1 21 21 CYS CB C 21 45.734 45.734 27.951 17.784 19283 1576 1 9 . 1 1 21 21 CYS H H 21 8.489 8.489 8.561 -0.072 19283 1577 1 9 . 1 1 22 22 LEU N N 22 122.788 122.788 127.395 -4.607 19283 1578 1 9 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.765 0.133 19283 1579 1 9 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.711 -1.259 19283 1580 1 9 . 1 1 22 22 LEU CB C 22 45.053 45.053 44.126 0.927 19283 1581 1 9 . 1 1 22 22 LEU H H 22 8.853 8.853 8.481 0.372 19283 1582 1 9 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.683 0.916 19283 1583 1 9 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.730 0.919 19283 1584 1 9 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.174 -0.200 19283 1585 1 9 . 1 1 24 24 ARG N N 24 121.052 121.052 119.232 1.820 19283 1586 1 9 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.367 -0.320 19283 1587 1 9 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.661 1.057 19283 1588 1 9 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.176 0.813 19283 1589 1 9 . 1 1 24 24 ARG H H 24 8.029 8.029 8.332 -0.303 19283 1590 1 9 . 1 1 25 25 ALA N N 25 121.473 121.473 121.029 0.444 19283 1591 1 9 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.278 -0.171 19283 1592 1 9 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.463 1.353 19283 1593 1 9 . 1 1 25 25 ALA H H 25 8.513 8.513 8.262 0.251 19283 1594 1 9 . 1 1 26 26 PHE N N 26 112.036 112.036 115.869 -3.833 19283 1595 1 9 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.163 0.777 19283 1596 1 9 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.976 -1.585 19283 1597 1 9 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.505 -0.893 19283 1598 1 9 . 1 1 26 26 PHE H H 26 7.973 7.973 7.359 0.614 19283 1599 1 9 . 1 1 27 27 HIS N N 27 125.821 125.821 120.544 5.277 19283 1600 1 9 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.458 1.261 19283 1601 1 9 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.665 -0.236 19283 1602 1 9 . 1 1 27 27 HIS H H 27 8.535 8.535 7.167 1.368 19283 1603 1 9 . 1 1 28 28 CYS N N 28 125.400 125.400 124.527 0.873 19283 1604 1 9 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.117 0.566 19283 1605 1 9 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.598 -3.233 19283 1606 1 9 . 1 1 28 28 CYS CB C 28 36.346 36.346 24.755 11.591 19283 1607 1 9 . 1 1 28 28 CYS H H 28 8.840 8.840 8.386 0.454 19283 1608 1 9 . 1 1 29 29 ASP N N 29 120.999 120.999 123.801 -2.802 19283 1609 1 9 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.519 0.287 19283 1610 1 9 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.609 -1.771 19283 1611 1 9 . 1 1 29 29 ASP CB C 29 41.416 41.416 42.178 -0.762 19283 1612 1 9 . 1 1 29 29 ASP H H 29 9.539 9.539 8.549 0.990 19283 1613 1 9 . 1 1 30 30 GLY N N 30 110.119 110.119 107.038 3.081 19283 1614 1 9 . 1 1 30 30 GLY CA C 30 45.588 45.588 44.893 0.695 19283 1615 1 9 . 1 1 30 30 GLY H H 30 9.267 9.267 8.453 0.814 19283 1616 1 9 . 1 1 31 31 LYS N N 31 115.357 115.357 119.852 -4.495 19283 1617 1 9 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.639 0.117 19283 1618 1 9 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.523 0.481 19283 1619 1 9 . 1 1 31 31 LYS H H 31 7.306 7.306 8.107 -0.801 19283 1620 1 9 . 1 1 32 32 ASP N N 32 125.726 125.726 121.133 4.593 19283 1621 1 9 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.608 0.076 19283 1622 1 9 . 1 1 32 32 ASP CA C 32 53.708 53.708 55.486 -1.778 19283 1623 1 9 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.066 -1.323 19283 1624 1 9 . 1 1 32 32 ASP H H 32 9.038 9.038 8.512 0.526 19283 1625 1 9 . 1 1 33 33 ASP N N 33 128.314 128.314 121.909 6.405 19283 1626 1 9 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.775 -0.146 19283 1627 1 9 . 1 1 33 33 ASP CA C 33 55.622 55.622 54.767 0.855 19283 1628 1 9 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.309 2.477 19283 1629 1 9 . 1 1 33 33 ASP H H 33 10.711 10.711 8.927 1.784 19283 1630 1 9 . 1 1 34 34 CYS N N 34 119.401 119.401 119.044 0.357 19283 1631 1 9 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.440 -0.071 19283 1632 1 9 . 1 1 34 34 CYS CA C 34 58.015 58.015 59.645 -1.630 19283 1633 1 9 . 1 1 34 34 CYS CB C 34 41.263 41.263 29.419 11.844 19283 1634 1 9 . 1 1 34 34 CYS H H 34 8.882 8.882 8.722 0.160 19283 1635 1 9 . 1 1 35 35 GLY N N 35 111.158 111.158 107.597 3.561 19283 1636 1 9 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.755 -0.702 19283 1637 1 9 . 1 1 35 35 GLY H H 35 9.647 9.647 8.376 1.271 19283 1638 1 9 . 1 1 36 36 ASN N N 36 116.001 116.001 119.870 -3.869 19283 1639 1 9 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.738 0.146 19283 1640 1 9 . 1 1 36 36 ASN CA C 36 51.306 51.306 52.936 -1.630 19283 1641 1 9 . 1 1 36 36 ASN CB C 36 39.160 39.160 38.771 0.389 19283 1642 1 9 . 1 1 36 36 ASN H H 36 7.280 7.280 8.402 -1.122 19283 1643 1 9 . 1 1 37 37 GLY N N 37 110.006 110.006 107.557 2.449 19283 1644 1 9 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.072 0.610 19283 1645 1 9 . 1 1 37 37 GLY H H 37 9.215 9.215 8.332 0.883 19283 1646 1 9 . 1 1 38 38 ALA N N 38 122.734 122.734 122.448 0.286 19283 1647 1 9 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.516 -0.415 19283 1648 1 9 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.802 3.078 19283 1649 1 9 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.878 -0.740 19283 1650 1 9 . 1 1 38 38 ALA H H 38 7.953 7.953 7.859 0.094 19283 1651 1 9 . 1 1 39 39 ASP N N 39 110.255 110.255 120.106 -9.851 19283 1652 1 9 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.715 -0.232 19283 1653 1 9 . 1 1 39 39 ASP CA C 39 54.468 54.468 57.038 -2.570 19283 1654 1 9 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.515 -0.746 19283 1655 1 9 . 1 1 39 39 ASP H H 39 10.386 10.386 8.788 1.598 19283 1656 1 9 . 1 1 40 40 GLU N N 40 117.907 117.907 118.429 -0.522 19283 1657 1 9 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.110 0.552 19283 1658 1 9 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.543 -4.189 19283 1659 1 9 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.517 0.716 19283 1660 1 9 . 1 1 40 40 GLU H H 40 7.679 7.679 8.687 -1.008 19283 1661 1 9 . 1 1 41 41 GLU N N 41 120.082 120.082 118.441 1.641 19283 1662 1 9 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.228 0.114 19283 1663 1 9 . 1 1 41 41 GLU CA C 41 55.849 55.849 57.066 -1.217 19283 1664 1 9 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.157 1.375 19283 1665 1 9 . 1 1 41 41 GLU H H 41 6.964 6.964 7.719 -0.755 19283 1666 1 9 . 1 1 42 42 ASN N N 42 117.487 117.487 114.890 2.597 19283 1667 1 9 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.383 0.114 19283 1668 1 9 . 1 1 42 42 ASN CB C 42 37.147 37.147 37.905 -0.758 19283 1669 1 9 . 1 1 42 42 ASN H H 42 9.008 9.008 8.853 0.155 19283 1670 1 9 . 1 1 43 43 CYS N N 43 117.347 117.347 116.084 1.263 19283 1671 1 9 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.732 -0.130 19283 1672 1 9 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.334 -3.331 19283 1673 1 9 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.160 12.276 19283 1674 1 9 . 1 1 43 43 CYS H H 43 8.294 8.294 8.124 0.170 19283 1675 1 10 . 1 1 2 2 SER HA H 2 4.450 4.450 4.220 0.230 19283 1676 1 10 . 1 1 2 2 SER CA C 2 58.088 58.088 58.643 -0.555 19283 1677 1 10 . 1 1 2 2 SER CB C 2 64.021 64.021 63.391 0.630 19283 1678 1 10 . 1 1 3 3 MET N N 3 122.320 122.320 122.315 0.005 19283 1679 1 10 . 1 1 3 3 MET HA H 3 4.500 4.500 4.702 -0.202 19283 1680 1 10 . 1 1 3 3 MET CA C 3 55.524 55.524 55.099 0.425 19283 1681 1 10 . 1 1 3 3 MET H H 3 8.398 8.398 8.055 0.343 19283 1682 1 10 . 1 1 4 4 ILE N N 4 122.503 122.503 121.273 1.230 19283 1683 1 10 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.661 -0.456 19283 1684 1 10 . 1 1 4 4 ILE CA C 4 60.941 60.941 61.294 -0.353 19283 1685 1 10 . 1 1 4 4 ILE CB C 4 38.817 38.817 39.822 -1.005 19283 1686 1 10 . 1 1 4 4 ILE H H 4 8.162 8.162 8.423 -0.261 19283 1687 1 10 . 1 1 5 5 THR N N 5 121.702 121.702 118.444 3.258 19283 1688 1 10 . 1 1 5 5 THR HA H 5 4.582 4.582 4.631 -0.049 19283 1689 1 10 . 1 1 5 5 THR CA C 5 59.724 59.724 60.059 -0.336 19283 1690 1 10 . 1 1 5 5 THR CB C 5 69.776 69.776 68.549 1.228 19283 1691 1 10 . 1 1 5 5 THR H H 5 8.278 8.278 8.454 -0.176 19283 1692 1 10 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.649 -0.234 19283 1693 1 10 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.749 0.483 19283 1694 1 10 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.619 -0.176 19283 1695 1 10 . 1 1 7 7 SER N N 7 116.292 116.292 114.429 1.863 19283 1696 1 10 . 1 1 7 7 SER HA H 7 4.467 4.467 4.577 -0.110 19283 1697 1 10 . 1 1 7 7 SER CA C 7 58.535 58.535 58.123 0.412 19283 1698 1 10 . 1 1 7 7 SER H H 7 8.337 8.337 8.458 -0.121 19283 1699 1 10 . 1 1 8 8 CYS N N 8 119.603 119.603 119.870 -0.267 19283 1700 1 10 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.560 0.231 19283 1701 1 10 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.611 -5.875 19283 1702 1 10 . 1 1 8 8 CYS CB C 8 40.977 40.977 29.346 11.631 19283 1703 1 10 . 1 1 8 8 CYS H H 8 8.381 8.381 7.829 0.552 19283 1704 1 10 . 1 1 9 9 GLN N N 9 121.666 121.666 122.147 -0.481 19283 1705 1 10 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.588 -0.399 19283 1706 1 10 . 1 1 9 9 GLN CA C 9 55.411 55.411 54.977 0.434 19283 1707 1 10 . 1 1 9 9 GLN CB C 9 29.646 29.646 32.001 -2.354 19283 1708 1 10 . 1 1 9 9 GLN H H 9 8.849 8.849 8.459 0.390 19283 1709 1 10 . 1 1 10 10 LYS N N 10 121.116 121.116 118.714 2.402 19283 1710 1 10 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.046 0.101 19283 1711 1 10 . 1 1 10 10 LYS CA C 10 58.495 58.495 57.040 1.455 19283 1712 1 10 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.411 -0.168 19283 1713 1 10 . 1 1 10 10 LYS H H 10 8.404 8.404 8.568 -0.164 19283 1714 1 10 . 1 1 11 11 GLY N N 11 112.504 112.504 104.854 7.650 19283 1715 1 10 . 1 1 11 11 GLY CA C 11 45.286 45.286 46.254 -0.968 19283 1716 1 10 . 1 1 11 11 GLY H H 11 9.046 9.046 8.545 0.501 19283 1717 1 10 . 1 1 12 12 TYR N N 12 122.192 122.192 119.688 2.504 19283 1718 1 10 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.749 0.561 19283 1719 1 10 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.482 -3.098 19283 1720 1 10 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.287 1.796 19283 1721 1 10 . 1 1 12 12 TYR H H 12 8.449 8.449 7.715 0.734 19283 1722 1 10 . 1 1 13 13 PHE N N 13 119.921 119.921 117.106 2.815 19283 1723 1 10 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.044 0.170 19283 1724 1 10 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.012 0.566 19283 1725 1 10 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.718 0.466 19283 1726 1 10 . 1 1 13 13 PHE H H 13 9.541 9.541 8.387 1.154 19283 1727 1 10 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.707 0.357 19283 1728 1 10 . 1 1 14 14 PRO CA C 14 62.163 62.163 61.662 0.501 19283 1729 1 10 . 1 1 14 14 PRO CB C 14 32.885 32.885 32.029 0.856 19283 1730 1 10 . 1 1 15 15 CYS N N 15 119.902 119.902 123.186 -3.284 19283 1731 1 10 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.880 0.947 19283 1732 1 10 . 1 1 15 15 CYS CA C 15 55.136 55.136 60.131 -4.995 19283 1733 1 10 . 1 1 15 15 CYS CB C 15 38.087 38.087 24.397 13.690 19283 1734 1 10 . 1 1 15 15 CYS H H 15 8.183 8.183 8.352 -0.169 19283 1735 1 10 . 1 1 16 16 GLY N N 16 112.243 112.243 115.700 -3.457 19283 1736 1 10 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.287 -0.129 19283 1737 1 10 . 1 1 16 16 GLY H H 16 8.055 8.055 8.698 -0.643 19283 1738 1 10 . 1 1 17 17 ASN N N 17 123.356 123.356 122.360 0.996 19283 1739 1 10 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.870 -0.285 19283 1740 1 10 . 1 1 17 17 ASN CA C 17 53.554 53.554 52.796 0.758 19283 1741 1 10 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.916 -1.902 19283 1742 1 10 . 1 1 17 17 ASN H H 17 8.674 8.674 8.149 0.525 19283 1743 1 10 . 1 1 18 18 LEU N N 18 119.935 119.935 121.002 -1.067 19283 1744 1 10 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.274 0.219 19283 1745 1 10 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.551 -1.215 19283 1746 1 10 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.564 0.491 19283 1747 1 10 . 1 1 18 18 LEU H H 18 7.693 7.693 7.752 -0.059 19283 1748 1 10 . 1 1 19 19 THR N N 19 113.712 113.712 111.669 2.043 19283 1749 1 10 . 1 1 19 19 THR HA H 19 4.074 4.074 4.310 -0.236 19283 1750 1 10 . 1 1 19 19 THR CA C 19 61.657 61.657 61.569 0.088 19283 1751 1 10 . 1 1 19 19 THR CB C 19 68.103 68.103 68.572 -0.469 19283 1752 1 10 . 1 1 19 19 THR H H 19 8.202 8.202 8.190 0.012 19283 1753 1 10 . 1 1 20 20 LYS N N 20 123.274 123.274 121.555 1.719 19283 1754 1 10 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.378 -0.119 19283 1755 1 10 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.633 0.899 19283 1756 1 10 . 1 1 20 20 LYS CB C 20 34.993 34.993 34.035 0.958 19283 1757 1 10 . 1 1 20 20 LYS H H 20 7.480 7.480 7.547 -0.067 19283 1758 1 10 . 1 1 21 21 CYS N N 21 123.003 123.003 121.366 1.637 19283 1759 1 10 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.259 0.067 19283 1760 1 10 . 1 1 21 21 CYS CA C 21 54.861 54.861 57.911 -3.050 19283 1761 1 10 . 1 1 21 21 CYS CB C 21 45.734 45.734 28.078 17.656 19283 1762 1 10 . 1 1 21 21 CYS H H 21 8.489 8.489 8.553 -0.064 19283 1763 1 10 . 1 1 22 22 LEU N N 22 122.788 122.788 127.313 -4.525 19283 1764 1 10 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.831 0.067 19283 1765 1 10 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.323 -0.871 19283 1766 1 10 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.604 1.449 19283 1767 1 10 . 1 1 22 22 LEU H H 22 8.853 8.853 8.502 0.351 19283 1768 1 10 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.691 0.908 19283 1769 1 10 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.805 0.844 19283 1770 1 10 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.344 -0.370 19283 1771 1 10 . 1 1 24 24 ARG N N 24 121.052 121.052 118.853 2.199 19283 1772 1 10 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.327 -0.280 19283 1773 1 10 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.614 1.104 19283 1774 1 10 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.150 0.839 19283 1775 1 10 . 1 1 24 24 ARG H H 24 8.029 8.029 8.376 -0.347 19283 1776 1 10 . 1 1 25 25 ALA N N 25 121.473 121.473 121.009 0.464 19283 1777 1 10 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.274 -0.167 19283 1778 1 10 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.491 1.325 19283 1779 1 10 . 1 1 25 25 ALA H H 25 8.513 8.513 8.283 0.230 19283 1780 1 10 . 1 1 26 26 PHE N N 26 112.036 112.036 115.121 -3.085 19283 1781 1 10 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.219 0.721 19283 1782 1 10 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.820 -1.429 19283 1783 1 10 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.439 -0.827 19283 1784 1 10 . 1 1 26 26 PHE H H 26 7.973 7.973 7.391 0.582 19283 1785 1 10 . 1 1 27 27 HIS N N 27 125.821 125.821 120.715 5.106 19283 1786 1 10 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.479 1.240 19283 1787 1 10 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.142 0.287 19283 1788 1 10 . 1 1 27 27 HIS H H 27 8.535 8.535 7.249 1.286 19283 1789 1 10 . 1 1 28 28 CYS N N 28 125.400 125.400 125.137 0.263 19283 1790 1 10 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.033 0.650 19283 1791 1 10 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.789 -3.424 19283 1792 1 10 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.283 11.063 19283 1793 1 10 . 1 1 28 28 CYS H H 28 8.840 8.840 8.131 0.709 19283 1794 1 10 . 1 1 29 29 ASP N N 29 120.999 120.999 124.047 -3.048 19283 1795 1 10 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.568 0.238 19283 1796 1 10 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.398 -1.560 19283 1797 1 10 . 1 1 29 29 ASP CB C 29 41.416 41.416 42.365 -0.949 19283 1798 1 10 . 1 1 29 29 ASP H H 29 9.539 9.539 8.566 0.973 19283 1799 1 10 . 1 1 30 30 GLY N N 30 110.119 110.119 107.511 2.608 19283 1800 1 10 . 1 1 30 30 GLY CA C 30 45.588 45.588 44.934 0.654 19283 1801 1 10 . 1 1 30 30 GLY H H 30 9.267 9.267 8.433 0.834 19283 1802 1 10 . 1 1 31 31 LYS N N 31 115.357 115.357 120.907 -5.550 19283 1803 1 10 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.592 0.164 19283 1804 1 10 . 1 1 31 31 LYS CB C 31 35.004 35.004 35.058 -0.054 19283 1805 1 10 . 1 1 31 31 LYS H H 31 7.306 7.306 7.824 -0.518 19283 1806 1 10 . 1 1 32 32 ASP N N 32 125.726 125.726 119.993 5.733 19283 1807 1 10 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.653 0.031 19283 1808 1 10 . 1 1 32 32 ASP CA C 32 53.708 53.708 55.417 -1.709 19283 1809 1 10 . 1 1 32 32 ASP CB C 32 39.743 39.743 40.935 -1.192 19283 1810 1 10 . 1 1 32 32 ASP H H 32 9.038 9.038 8.524 0.514 19283 1811 1 10 . 1 1 33 33 ASP N N 33 128.314 128.314 122.097 6.217 19283 1812 1 10 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.768 -0.139 19283 1813 1 10 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.147 0.475 19283 1814 1 10 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.233 2.554 19283 1815 1 10 . 1 1 33 33 ASP H H 33 10.711 10.711 8.722 1.989 19283 1816 1 10 . 1 1 34 34 CYS N N 34 119.401 119.401 118.221 1.180 19283 1817 1 10 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.465 -0.096 19283 1818 1 10 . 1 1 34 34 CYS CA C 34 58.015 58.015 60.122 -2.107 19283 1819 1 10 . 1 1 34 34 CYS CB C 34 41.263 41.263 29.433 11.830 19283 1820 1 10 . 1 1 34 34 CYS H H 34 8.882 8.882 8.601 0.281 19283 1821 1 10 . 1 1 35 35 GLY N N 35 111.158 111.158 107.421 3.737 19283 1822 1 10 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.822 -0.769 19283 1823 1 10 . 1 1 35 35 GLY H H 35 9.647 9.647 8.434 1.213 19283 1824 1 10 . 1 1 36 36 ASN N N 36 116.001 116.001 119.833 -3.832 19283 1825 1 10 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.737 0.147 19283 1826 1 10 . 1 1 36 36 ASN CA C 36 51.306 51.306 52.970 -1.664 19283 1827 1 10 . 1 1 36 36 ASN CB C 36 39.160 39.160 38.727 0.433 19283 1828 1 10 . 1 1 36 36 ASN H H 36 7.280 7.280 8.396 -1.116 19283 1829 1 10 . 1 1 37 37 GLY N N 37 110.006 110.006 107.504 2.502 19283 1830 1 10 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.044 0.638 19283 1831 1 10 . 1 1 37 37 GLY H H 37 9.215 9.215 8.303 0.912 19283 1832 1 10 . 1 1 38 38 ALA N N 38 122.734 122.734 122.659 0.075 19283 1833 1 10 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.597 -0.496 19283 1834 1 10 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.703 3.177 19283 1835 1 10 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.902 -0.764 19283 1836 1 10 . 1 1 38 38 ALA H H 38 7.953 7.953 7.945 0.008 19283 1837 1 10 . 1 1 39 39 ASP N N 39 110.255 110.255 120.015 -9.760 19283 1838 1 10 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.754 -0.271 19283 1839 1 10 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.674 -2.206 19283 1840 1 10 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.459 -0.689 19283 1841 1 10 . 1 1 39 39 ASP H H 39 10.386 10.386 8.751 1.635 19283 1842 1 10 . 1 1 40 40 GLU N N 40 117.907 117.907 118.346 -0.439 19283 1843 1 10 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.095 0.567 19283 1844 1 10 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.700 -4.346 19283 1845 1 10 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.564 0.669 19283 1846 1 10 . 1 1 40 40 GLU H H 40 7.679 7.679 8.729 -1.050 19283 1847 1 10 . 1 1 41 41 GLU N N 41 120.082 120.082 117.930 2.152 19283 1848 1 10 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.266 0.076 19283 1849 1 10 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.358 -0.509 19283 1850 1 10 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.145 1.387 19283 1851 1 10 . 1 1 41 41 GLU H H 41 6.964 6.964 7.648 -0.684 19283 1852 1 10 . 1 1 42 42 ASN N N 42 117.487 117.487 113.660 3.827 19283 1853 1 10 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.439 0.058 19283 1854 1 10 . 1 1 42 42 ASN CB C 42 37.147 37.147 36.992 0.154 19283 1855 1 10 . 1 1 42 42 ASN H H 42 9.008 9.008 8.763 0.245 19283 1856 1 10 . 1 1 43 43 CYS N N 43 117.347 117.347 115.759 1.588 19283 1857 1 10 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.552 0.050 19283 1858 1 10 . 1 1 43 43 CYS CA C 43 55.003 55.003 59.058 -4.055 19283 1859 1 10 . 1 1 43 43 CYS CB C 43 39.436 39.436 26.532 12.904 19283 1860 1 10 . 1 1 43 43 CYS H H 43 8.294 8.294 8.189 0.105 19283 1861 1 11 . 1 1 2 2 SER HA H 2 4.450 4.450 4.765 -0.315 19283 1862 1 11 . 1 1 2 2 SER CA C 2 58.088 58.088 57.921 0.167 19283 1863 1 11 . 1 1 2 2 SER CB C 2 64.021 64.021 64.012 0.009 19283 1864 1 11 . 1 1 3 3 MET N N 3 122.320 122.320 122.883 -0.563 19283 1865 1 11 . 1 1 3 3 MET HA H 3 4.500 4.500 4.821 -0.321 19283 1866 1 11 . 1 1 3 3 MET CA C 3 55.524 55.524 55.111 0.413 19283 1867 1 11 . 1 1 3 3 MET H H 3 8.398 8.398 8.307 0.091 19283 1868 1 11 . 1 1 4 4 ILE N N 4 122.503 122.503 119.189 3.314 19283 1869 1 11 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.703 -0.498 19283 1870 1 11 . 1 1 4 4 ILE CA C 4 60.941 60.941 60.919 0.022 19283 1871 1 11 . 1 1 4 4 ILE CB C 4 38.817 38.817 40.125 -1.308 19283 1872 1 11 . 1 1 4 4 ILE H H 4 8.162 8.162 8.519 -0.357 19283 1873 1 11 . 1 1 5 5 THR N N 5 121.702 121.702 115.958 5.744 19283 1874 1 11 . 1 1 5 5 THR HA H 5 4.582 4.582 4.593 -0.011 19283 1875 1 11 . 1 1 5 5 THR CA C 5 59.724 59.724 60.577 -0.853 19283 1876 1 11 . 1 1 5 5 THR CB C 5 69.776 69.776 68.391 1.385 19283 1877 1 11 . 1 1 5 5 THR H H 5 8.278 8.278 8.681 -0.403 19283 1878 1 11 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.554 -0.139 19283 1879 1 11 . 1 1 6 6 PRO CA C 6 63.232 63.232 63.115 0.117 19283 1880 1 11 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.559 -0.116 19283 1881 1 11 . 1 1 7 7 SER N N 7 116.292 116.292 116.711 -0.419 19283 1882 1 11 . 1 1 7 7 SER HA H 7 4.467 4.467 4.540 -0.073 19283 1883 1 11 . 1 1 7 7 SER CA C 7 58.535 58.535 57.985 0.550 19283 1884 1 11 . 1 1 7 7 SER H H 7 8.337 8.337 8.679 -0.342 19283 1885 1 11 . 1 1 8 8 CYS N N 8 119.603 119.603 120.678 -1.075 19283 1886 1 11 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.661 0.130 19283 1887 1 11 . 1 1 8 8 CYS CA C 8 52.736 52.736 57.637 -4.901 19283 1888 1 11 . 1 1 8 8 CYS CB C 8 40.977 40.977 27.719 13.258 19283 1889 1 11 . 1 1 8 8 CYS H H 8 8.381 8.381 7.878 0.503 19283 1890 1 11 . 1 1 9 9 GLN N N 9 121.666 121.666 123.996 -2.330 19283 1891 1 11 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.429 -0.240 19283 1892 1 11 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.595 -0.184 19283 1893 1 11 . 1 1 9 9 GLN CB C 9 29.646 29.646 30.934 -1.288 19283 1894 1 11 . 1 1 9 9 GLN H H 9 8.849 8.849 8.269 0.580 19283 1895 1 11 . 1 1 10 10 LYS N N 10 121.116 121.116 123.238 -2.122 19283 1896 1 11 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.085 0.062 19283 1897 1 11 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.483 2.013 19283 1898 1 11 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.623 -0.380 19283 1899 1 11 . 1 1 10 10 LYS H H 10 8.404 8.404 9.051 -0.647 19283 1900 1 11 . 1 1 11 11 GLY N N 11 112.504 112.504 112.053 0.451 19283 1901 1 11 . 1 1 11 11 GLY CA C 11 45.286 45.286 45.204 0.082 19283 1902 1 11 . 1 1 11 11 GLY H H 11 9.046 9.046 8.649 0.397 19283 1903 1 11 . 1 1 12 12 TYR N N 12 122.192 122.192 122.971 -0.779 19283 1904 1 11 . 1 1 12 12 TYR HA H 12 5.310 5.310 5.198 0.112 19283 1905 1 11 . 1 1 12 12 TYR CA C 12 56.384 56.384 58.593 -2.209 19283 1906 1 11 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.947 1.136 19283 1907 1 11 . 1 1 12 12 TYR H H 12 8.449 8.449 7.644 0.805 19283 1908 1 11 . 1 1 13 13 PHE N N 13 119.921 119.921 117.600 2.321 19283 1909 1 11 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.049 0.165 19283 1910 1 11 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.123 0.455 19283 1911 1 11 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.985 0.199 19283 1912 1 11 . 1 1 13 13 PHE H H 13 9.541 9.541 8.360 1.181 19283 1913 1 11 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.580 0.484 19283 1914 1 11 . 1 1 14 14 PRO CA C 14 62.163 62.163 61.796 0.367 19283 1915 1 11 . 1 1 14 14 PRO CB C 14 32.885 32.885 31.942 0.943 19283 1916 1 11 . 1 1 15 15 CYS N N 15 119.902 119.902 124.016 -4.114 19283 1917 1 11 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.975 0.852 19283 1918 1 11 . 1 1 15 15 CYS CA C 15 55.136 55.136 59.801 -4.665 19283 1919 1 11 . 1 1 15 15 CYS CB C 15 38.087 38.087 24.661 13.426 19283 1920 1 11 . 1 1 15 15 CYS H H 15 8.183 8.183 8.535 -0.352 19283 1921 1 11 . 1 1 16 16 GLY N N 16 112.243 112.243 116.434 -4.191 19283 1922 1 11 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.336 -0.178 19283 1923 1 11 . 1 1 16 16 GLY H H 16 8.055 8.055 8.670 -0.615 19283 1924 1 11 . 1 1 17 17 ASN N N 17 123.356 123.356 121.172 2.184 19283 1925 1 11 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.955 -0.370 19283 1926 1 11 . 1 1 17 17 ASN CA C 17 53.554 53.554 52.501 1.053 19283 1927 1 11 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.871 -1.857 19283 1928 1 11 . 1 1 17 17 ASN H H 17 8.674 8.674 8.188 0.486 19283 1929 1 11 . 1 1 18 18 LEU N N 18 119.935 119.935 120.942 -1.007 19283 1930 1 11 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.654 -0.161 19283 1931 1 11 . 1 1 18 18 LEU CA C 18 54.336 54.336 54.824 -0.488 19283 1932 1 11 . 1 1 18 18 LEU CB C 18 43.055 43.055 43.286 -0.231 19283 1933 1 11 . 1 1 18 18 LEU H H 18 7.693 7.693 8.176 -0.483 19283 1934 1 11 . 1 1 19 19 THR N N 19 113.712 113.712 112.986 0.726 19283 1935 1 11 . 1 1 19 19 THR HA H 19 4.074 4.074 4.339 -0.265 19283 1936 1 11 . 1 1 19 19 THR CA C 19 61.657 61.657 61.584 0.073 19283 1937 1 11 . 1 1 19 19 THR CB C 19 68.103 68.103 68.000 0.103 19283 1938 1 11 . 1 1 19 19 THR H H 19 8.202 8.202 8.264 -0.062 19283 1939 1 11 . 1 1 20 20 LYS N N 20 123.274 123.274 121.606 1.668 19283 1940 1 11 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.420 -0.161 19283 1941 1 11 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.307 1.224 19283 1942 1 11 . 1 1 20 20 LYS CB C 20 34.993 34.993 34.356 0.637 19283 1943 1 11 . 1 1 20 20 LYS H H 20 7.480 7.480 7.536 -0.056 19283 1944 1 11 . 1 1 21 21 CYS N N 21 123.003 123.003 121.917 1.086 19283 1945 1 11 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.327 -0.001 19283 1946 1 11 . 1 1 21 21 CYS CA C 21 54.861 54.861 57.788 -2.928 19283 1947 1 11 . 1 1 21 21 CYS CB C 21 45.734 45.734 28.245 17.489 19283 1948 1 11 . 1 1 21 21 CYS H H 21 8.489 8.489 8.601 -0.112 19283 1949 1 11 . 1 1 22 22 LEU N N 22 122.788 122.788 126.661 -3.873 19283 1950 1 11 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.936 -0.038 19283 1951 1 11 . 1 1 22 22 LEU CA C 22 51.452 51.452 51.929 -0.477 19283 1952 1 11 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.830 1.223 19283 1953 1 11 . 1 1 22 22 LEU H H 22 8.853 8.853 8.461 0.392 19283 1954 1 11 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.610 0.989 19283 1955 1 11 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.763 0.886 19283 1956 1 11 . 1 1 23 23 PRO CB C 23 31.974 31.974 31.894 0.080 19283 1957 1 11 . 1 1 24 24 ARG N N 24 121.052 121.052 119.744 1.308 19283 1958 1 11 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.315 -0.268 19283 1959 1 11 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.575 1.143 19283 1960 1 11 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.200 0.789 19283 1961 1 11 . 1 1 24 24 ARG H H 24 8.029 8.029 8.247 -0.218 19283 1962 1 11 . 1 1 25 25 ALA N N 25 121.473 121.473 121.060 0.413 19283 1963 1 11 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.303 -0.196 19283 1964 1 11 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.361 1.455 19283 1965 1 11 . 1 1 25 25 ALA H H 25 8.513 8.513 8.200 0.313 19283 1966 1 11 . 1 1 26 26 PHE N N 26 112.036 112.036 114.763 -2.727 19283 1967 1 11 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.168 0.772 19283 1968 1 11 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.785 -1.394 19283 1969 1 11 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.498 -0.886 19283 1970 1 11 . 1 1 26 26 PHE H H 26 7.973 7.973 7.402 0.571 19283 1971 1 11 . 1 1 27 27 HIS N N 27 125.821 125.821 121.158 4.663 19283 1972 1 11 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.489 1.230 19283 1973 1 11 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.472 -0.043 19283 1974 1 11 . 1 1 27 27 HIS H H 27 8.535 8.535 7.246 1.289 19283 1975 1 11 . 1 1 28 28 CYS N N 28 125.400 125.400 124.697 0.703 19283 1976 1 11 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.039 0.644 19283 1977 1 11 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.462 -3.097 19283 1978 1 11 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.017 11.329 19283 1979 1 11 . 1 1 28 28 CYS H H 28 8.840 8.840 8.305 0.535 19283 1980 1 11 . 1 1 29 29 ASP N N 29 120.999 120.999 121.935 -0.936 19283 1981 1 11 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.581 0.225 19283 1982 1 11 . 1 1 29 29 ASP CA C 29 52.838 52.838 53.678 -0.840 19283 1983 1 11 . 1 1 29 29 ASP CB C 29 41.416 41.416 41.571 -0.155 19283 1984 1 11 . 1 1 29 29 ASP H H 29 9.539 9.539 8.694 0.845 19283 1985 1 11 . 1 1 30 30 GLY N N 30 110.119 110.119 107.372 2.747 19283 1986 1 11 . 1 1 30 30 GLY CA C 30 45.588 45.588 44.794 0.795 19283 1987 1 11 . 1 1 30 30 GLY H H 30 9.267 9.267 8.518 0.749 19283 1988 1 11 . 1 1 31 31 LYS N N 31 115.357 115.357 117.707 -2.350 19283 1989 1 11 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.408 0.348 19283 1990 1 11 . 1 1 31 31 LYS CB C 31 35.004 35.004 33.750 1.254 19283 1991 1 11 . 1 1 31 31 LYS H H 31 7.306 7.306 7.874 -0.568 19283 1992 1 11 . 1 1 32 32 ASP N N 32 125.726 125.726 120.228 5.498 19283 1993 1 11 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.980 -0.296 19283 1994 1 11 . 1 1 32 32 ASP CA C 32 53.708 53.708 54.177 -0.469 19283 1995 1 11 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.554 -1.811 19283 1996 1 11 . 1 1 32 32 ASP H H 32 9.038 9.038 8.459 0.579 19283 1997 1 11 . 1 1 33 33 ASP N N 33 128.314 128.314 122.176 6.138 19283 1998 1 11 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.850 -0.221 19283 1999 1 11 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.219 0.403 19283 2000 1 11 . 1 1 33 33 ASP CB C 33 44.786 44.786 41.784 3.002 19283 2001 1 11 . 1 1 33 33 ASP H H 33 10.711 10.711 8.624 2.087 19283 2002 1 11 . 1 1 34 34 CYS N N 34 119.401 119.401 118.663 0.738 19283 2003 1 11 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.343 0.026 19283 2004 1 11 . 1 1 34 34 CYS CA C 34 58.015 58.015 60.268 -2.253 19283 2005 1 11 . 1 1 34 34 CYS CB C 34 41.263 41.263 28.064 13.199 19283 2006 1 11 . 1 1 34 34 CYS H H 34 8.882 8.882 8.405 0.477 19283 2007 1 11 . 1 1 35 35 GLY N N 35 111.158 111.158 106.978 4.180 19283 2008 1 11 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.837 -0.784 19283 2009 1 11 . 1 1 35 35 GLY H H 35 9.647 9.647 8.580 1.067 19283 2010 1 11 . 1 1 36 36 ASN N N 36 116.001 116.001 119.981 -3.980 19283 2011 1 11 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.780 0.104 19283 2012 1 11 . 1 1 36 36 ASN CA C 36 51.306 51.306 53.095 -1.789 19283 2013 1 11 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.028 0.132 19283 2014 1 11 . 1 1 36 36 ASN H H 36 7.280 7.280 8.307 -1.027 19283 2015 1 11 . 1 1 37 37 GLY N N 37 110.006 110.006 106.540 3.466 19283 2016 1 11 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.339 0.343 19283 2017 1 11 . 1 1 37 37 GLY H H 37 9.215 9.215 8.653 0.562 19283 2018 1 11 . 1 1 38 38 ALA N N 38 122.734 122.734 121.751 0.983 19283 2019 1 11 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.541 -0.440 19283 2020 1 11 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.296 3.584 19283 2021 1 11 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.996 -0.858 19283 2022 1 11 . 1 1 38 38 ALA H H 38 7.953 7.953 8.235 -0.282 19283 2023 1 11 . 1 1 39 39 ASP N N 39 110.255 110.255 118.390 -8.135 19283 2024 1 11 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.817 -0.334 19283 2025 1 11 . 1 1 39 39 ASP CA C 39 54.468 54.468 55.891 -1.423 19283 2026 1 11 . 1 1 39 39 ASP CB C 39 39.769 39.769 39.996 -0.227 19283 2027 1 11 . 1 1 39 39 ASP H H 39 10.386 10.386 8.754 1.632 19283 2028 1 11 . 1 1 40 40 GLU N N 40 117.907 117.907 117.445 0.462 19283 2029 1 11 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.176 0.486 19283 2030 1 11 . 1 1 40 40 GLU CA C 40 54.354 54.354 57.916 -3.562 19283 2031 1 11 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.449 0.784 19283 2032 1 11 . 1 1 40 40 GLU H H 40 7.679 7.679 8.683 -1.004 19283 2033 1 11 . 1 1 41 41 GLU N N 41 120.082 120.082 119.890 0.192 19283 2034 1 11 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.370 -0.028 19283 2035 1 11 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.148 -0.299 19283 2036 1 11 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.293 1.239 19283 2037 1 11 . 1 1 41 41 GLU H H 41 6.964 6.964 7.578 -0.614 19283 2038 1 11 . 1 1 42 42 ASN N N 42 117.487 117.487 114.364 3.123 19283 2039 1 11 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.494 0.003 19283 2040 1 11 . 1 1 42 42 ASN CB C 42 37.147 37.147 37.367 -0.221 19283 2041 1 11 . 1 1 42 42 ASN H H 42 9.008 9.008 8.706 0.302 19283 2042 1 11 . 1 1 43 43 CYS N N 43 117.347 117.347 116.541 0.806 19283 2043 1 11 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.648 -0.046 19283 2044 1 11 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.706 -3.703 19283 2045 1 11 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.501 11.935 19283 2046 1 11 . 1 1 43 43 CYS H H 43 8.294 8.294 8.337 -0.043 19283 2047 1 12 . 1 1 2 2 SER HA H 2 4.450 4.450 4.270 0.180 19283 2048 1 12 . 1 1 2 2 SER CA C 2 58.088 58.088 58.798 -0.710 19283 2049 1 12 . 1 1 2 2 SER CB C 2 64.021 64.021 63.701 0.320 19283 2050 1 12 . 1 1 3 3 MET N N 3 122.320 122.320 118.166 4.154 19283 2051 1 12 . 1 1 3 3 MET HA H 3 4.500 4.500 4.254 0.246 19283 2052 1 12 . 1 1 3 3 MET CA C 3 55.524 55.524 55.656 -0.132 19283 2053 1 12 . 1 1 3 3 MET H H 3 8.398 8.398 8.200 0.198 19283 2054 1 12 . 1 1 4 4 ILE N N 4 122.503 122.503 117.365 5.138 19283 2055 1 12 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.224 -0.019 19283 2056 1 12 . 1 1 4 4 ILE CA C 4 60.941 60.941 62.906 -1.965 19283 2057 1 12 . 1 1 4 4 ILE CB C 4 38.817 38.817 38.259 0.558 19283 2058 1 12 . 1 1 4 4 ILE H H 4 8.162 8.162 8.161 0.001 19283 2059 1 12 . 1 1 5 5 THR N N 5 121.702 121.702 120.942 0.760 19283 2060 1 12 . 1 1 5 5 THR HA H 5 4.582 4.582 4.595 -0.013 19283 2061 1 12 . 1 1 5 5 THR CA C 5 59.724 59.724 61.258 -1.534 19283 2062 1 12 . 1 1 5 5 THR CB C 5 69.776 69.776 68.666 1.109 19283 2063 1 12 . 1 1 5 5 THR H H 5 8.278 8.278 8.231 0.047 19283 2064 1 12 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.795 -0.380 19283 2065 1 12 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.595 0.637 19283 2066 1 12 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.971 -0.528 19283 2067 1 12 . 1 1 7 7 SER N N 7 116.292 116.292 113.965 2.327 19283 2068 1 12 . 1 1 7 7 SER HA H 7 4.467 4.467 4.576 -0.109 19283 2069 1 12 . 1 1 7 7 SER CA C 7 58.535 58.535 58.275 0.260 19283 2070 1 12 . 1 1 7 7 SER H H 7 8.337 8.337 8.415 -0.078 19283 2071 1 12 . 1 1 8 8 CYS N N 8 119.603 119.603 118.830 0.773 19283 2072 1 12 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.583 0.208 19283 2073 1 12 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.717 -5.981 19283 2074 1 12 . 1 1 8 8 CYS CB C 8 40.977 40.977 29.445 11.532 19283 2075 1 12 . 1 1 8 8 CYS H H 8 8.381 8.381 7.625 0.756 19283 2076 1 12 . 1 1 9 9 GLN N N 9 121.666 121.666 124.170 -2.504 19283 2077 1 12 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.600 -0.411 19283 2078 1 12 . 1 1 9 9 GLN CA C 9 55.411 55.411 54.969 0.442 19283 2079 1 12 . 1 1 9 9 GLN CB C 9 29.646 29.646 31.241 -1.595 19283 2080 1 12 . 1 1 9 9 GLN H H 9 8.849 8.849 8.427 0.422 19283 2081 1 12 . 1 1 10 10 LYS N N 10 121.116 121.116 119.538 1.578 19283 2082 1 12 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.076 0.071 19283 2083 1 12 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.988 1.507 19283 2084 1 12 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.345 -0.102 19283 2085 1 12 . 1 1 10 10 LYS H H 10 8.404 8.404 8.707 -0.303 19283 2086 1 12 . 1 1 11 11 GLY N N 11 112.504 112.504 107.064 5.440 19283 2087 1 12 . 1 1 11 11 GLY CA C 11 45.286 45.286 45.894 -0.608 19283 2088 1 12 . 1 1 11 11 GLY H H 11 9.046 9.046 8.752 0.294 19283 2089 1 12 . 1 1 12 12 TYR N N 12 122.192 122.192 119.669 2.523 19283 2090 1 12 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.739 0.571 19283 2091 1 12 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.507 -3.123 19283 2092 1 12 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.276 1.807 19283 2093 1 12 . 1 1 12 12 TYR H H 12 8.449 8.449 7.710 0.739 19283 2094 1 12 . 1 1 13 13 PHE N N 13 119.921 119.921 117.111 2.810 19283 2095 1 12 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.040 0.174 19283 2096 1 12 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.007 0.571 19283 2097 1 12 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.687 0.497 19283 2098 1 12 . 1 1 13 13 PHE H H 13 9.541 9.541 8.400 1.141 19283 2099 1 12 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.708 0.356 19283 2100 1 12 . 1 1 14 14 PRO CA C 14 62.163 62.163 61.654 0.509 19283 2101 1 12 . 1 1 14 14 PRO CB C 14 32.885 32.885 32.048 0.837 19283 2102 1 12 . 1 1 15 15 CYS N N 15 119.902 119.902 123.041 -3.139 19283 2103 1 12 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.898 0.929 19283 2104 1 12 . 1 1 15 15 CYS CA C 15 55.136 55.136 60.123 -4.987 19283 2105 1 12 . 1 1 15 15 CYS CB C 15 38.087 38.087 24.437 13.650 19283 2106 1 12 . 1 1 15 15 CYS H H 15 8.183 8.183 8.340 -0.157 19283 2107 1 12 . 1 1 16 16 GLY N N 16 112.243 112.243 115.549 -3.306 19283 2108 1 12 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.345 -0.187 19283 2109 1 12 . 1 1 16 16 GLY H H 16 8.055 8.055 8.673 -0.618 19283 2110 1 12 . 1 1 17 17 ASN N N 17 123.356 123.356 122.418 0.938 19283 2111 1 12 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.851 -0.266 19283 2112 1 12 . 1 1 17 17 ASN CA C 17 53.554 53.554 53.071 0.483 19283 2113 1 12 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.875 -1.861 19283 2114 1 12 . 1 1 17 17 ASN H H 17 8.674 8.674 8.115 0.559 19283 2115 1 12 . 1 1 18 18 LEU N N 18 119.935 119.935 120.990 -1.055 19283 2116 1 12 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.270 0.223 19283 2117 1 12 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.632 -1.296 19283 2118 1 12 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.559 0.496 19283 2119 1 12 . 1 1 18 18 LEU H H 18 7.693 7.693 7.822 -0.129 19283 2120 1 12 . 1 1 19 19 THR N N 19 113.712 113.712 112.304 1.408 19283 2121 1 12 . 1 1 19 19 THR HA H 19 4.074 4.074 4.329 -0.255 19283 2122 1 12 . 1 1 19 19 THR CA C 19 61.657 61.657 61.306 0.351 19283 2123 1 12 . 1 1 19 19 THR CB C 19 68.103 68.103 68.306 -0.203 19283 2124 1 12 . 1 1 19 19 THR H H 19 8.202 8.202 8.193 0.009 19283 2125 1 12 . 1 1 20 20 LYS N N 20 123.274 123.274 121.845 1.429 19283 2126 1 12 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.360 -0.101 19283 2127 1 12 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.691 0.841 19283 2128 1 12 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.848 1.145 19283 2129 1 12 . 1 1 20 20 LYS H H 20 7.480 7.480 7.533 -0.053 19283 2130 1 12 . 1 1 21 21 CYS N N 21 123.003 123.003 121.571 1.432 19283 2131 1 12 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.241 0.085 19283 2132 1 12 . 1 1 21 21 CYS CA C 21 54.861 54.861 57.918 -3.057 19283 2133 1 12 . 1 1 21 21 CYS CB C 21 45.734 45.734 27.982 17.752 19283 2134 1 12 . 1 1 21 21 CYS H H 21 8.489 8.489 8.567 -0.078 19283 2135 1 12 . 1 1 22 22 LEU N N 22 122.788 122.788 127.476 -4.688 19283 2136 1 12 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.833 0.065 19283 2137 1 12 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.332 -0.880 19283 2138 1 12 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.624 1.429 19283 2139 1 12 . 1 1 22 22 LEU H H 22 8.853 8.853 8.516 0.337 19283 2140 1 12 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.685 0.914 19283 2141 1 12 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.799 0.850 19283 2142 1 12 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.344 -0.370 19283 2143 1 12 . 1 1 24 24 ARG N N 24 121.052 121.052 118.866 2.186 19283 2144 1 12 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.324 -0.277 19283 2145 1 12 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.623 1.095 19283 2146 1 12 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.127 0.862 19283 2147 1 12 . 1 1 24 24 ARG H H 24 8.029 8.029 8.379 -0.350 19283 2148 1 12 . 1 1 25 25 ALA N N 25 121.473 121.473 121.028 0.445 19283 2149 1 12 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.269 -0.162 19283 2150 1 12 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.531 1.285 19283 2151 1 12 . 1 1 25 25 ALA H H 25 8.513 8.513 8.292 0.221 19283 2152 1 12 . 1 1 26 26 PHE N N 26 112.036 112.036 115.774 -3.738 19283 2153 1 12 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.215 0.725 19283 2154 1 12 . 1 1 26 26 PHE CA C 26 56.391 56.391 58.017 -1.625 19283 2155 1 12 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.597 -0.985 19283 2156 1 12 . 1 1 26 26 PHE H H 26 7.973 7.973 7.340 0.633 19283 2157 1 12 . 1 1 27 27 HIS N N 27 125.821 125.821 120.973 4.848 19283 2158 1 12 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.446 1.273 19283 2159 1 12 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.404 0.025 19283 2160 1 12 . 1 1 27 27 HIS H H 27 8.535 8.535 7.204 1.331 19283 2161 1 12 . 1 1 28 28 CYS N N 28 125.400 125.400 125.270 0.130 19283 2162 1 12 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.052 0.631 19283 2163 1 12 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.836 -3.471 19283 2164 1 12 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.335 11.011 19283 2165 1 12 . 1 1 28 28 CYS H H 28 8.840 8.840 8.247 0.593 19283 2166 1 12 . 1 1 29 29 ASP N N 29 120.999 120.999 124.126 -3.127 19283 2167 1 12 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.537 0.269 19283 2168 1 12 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.379 -1.541 19283 2169 1 12 . 1 1 29 29 ASP CB C 29 41.416 41.416 42.408 -0.992 19283 2170 1 12 . 1 1 29 29 ASP H H 29 9.539 9.539 8.565 0.974 19283 2171 1 12 . 1 1 30 30 GLY N N 30 110.119 110.119 107.470 2.649 19283 2172 1 12 . 1 1 30 30 GLY CA C 30 45.588 45.588 44.922 0.666 19283 2173 1 12 . 1 1 30 30 GLY H H 30 9.267 9.267 8.457 0.810 19283 2174 1 12 . 1 1 31 31 LYS N N 31 115.357 115.357 120.288 -4.931 19283 2175 1 12 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.589 0.167 19283 2176 1 12 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.731 0.273 19283 2177 1 12 . 1 1 31 31 LYS H H 31 7.306 7.306 7.843 -0.537 19283 2178 1 12 . 1 1 32 32 ASP N N 32 125.726 125.726 119.860 5.866 19283 2179 1 12 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.604 0.080 19283 2180 1 12 . 1 1 32 32 ASP CA C 32 53.708 53.708 55.492 -1.784 19283 2181 1 12 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.435 -1.692 19283 2182 1 12 . 1 1 32 32 ASP H H 32 9.038 9.038 8.439 0.599 19283 2183 1 12 . 1 1 33 33 ASP N N 33 128.314 128.314 123.397 4.917 19283 2184 1 12 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.812 -0.183 19283 2185 1 12 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.404 0.218 19283 2186 1 12 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.035 2.751 19283 2187 1 12 . 1 1 33 33 ASP H H 33 10.711 10.711 8.860 1.851 19283 2188 1 12 . 1 1 34 34 CYS N N 34 119.401 119.401 117.369 2.032 19283 2189 1 12 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.408 -0.039 19283 2190 1 12 . 1 1 34 34 CYS CA C 34 58.015 58.015 60.017 -2.002 19283 2191 1 12 . 1 1 34 34 CYS CB C 34 41.263 41.263 29.244 12.019 19283 2192 1 12 . 1 1 34 34 CYS H H 34 8.882 8.882 8.761 0.121 19283 2193 1 12 . 1 1 35 35 GLY N N 35 111.158 111.158 107.241 3.917 19283 2194 1 12 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.816 -0.763 19283 2195 1 12 . 1 1 35 35 GLY H H 35 9.647 9.647 8.262 1.385 19283 2196 1 12 . 1 1 36 36 ASN N N 36 116.001 116.001 120.795 -4.794 19283 2197 1 12 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.823 0.061 19283 2198 1 12 . 1 1 36 36 ASN CA C 36 51.306 51.306 52.870 -1.564 19283 2199 1 12 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.303 -0.143 19283 2200 1 12 . 1 1 36 36 ASN H H 36 7.280 7.280 8.506 -1.226 19283 2201 1 12 . 1 1 37 37 GLY N N 37 110.006 110.006 106.136 3.870 19283 2202 1 12 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.174 0.508 19283 2203 1 12 . 1 1 37 37 GLY H H 37 9.215 9.215 8.340 0.875 19283 2204 1 12 . 1 1 38 38 ALA N N 38 122.734 122.734 122.367 0.367 19283 2205 1 12 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.444 -0.343 19283 2206 1 12 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.630 3.250 19283 2207 1 12 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.862 -0.724 19283 2208 1 12 . 1 1 38 38 ALA H H 38 7.953 7.953 8.284 -0.331 19283 2209 1 12 . 1 1 39 39 ASP N N 39 110.255 110.255 118.761 -8.506 19283 2210 1 12 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.733 -0.250 19283 2211 1 12 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.723 -2.255 19283 2212 1 12 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.072 -0.303 19283 2213 1 12 . 1 1 39 39 ASP H H 39 10.386 10.386 8.941 1.445 19283 2214 1 12 . 1 1 40 40 GLU N N 40 117.907 117.907 118.739 -0.832 19283 2215 1 12 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.121 0.541 19283 2216 1 12 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.436 -4.082 19283 2217 1 12 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.695 0.538 19283 2218 1 12 . 1 1 40 40 GLU H H 40 7.679 7.679 8.694 -1.015 19283 2219 1 12 . 1 1 41 41 GLU N N 41 120.082 120.082 119.557 0.525 19283 2220 1 12 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.331 0.011 19283 2221 1 12 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.276 -0.427 19283 2222 1 12 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.043 1.489 19283 2223 1 12 . 1 1 41 41 GLU H H 41 6.964 6.964 7.882 -0.918 19283 2224 1 12 . 1 1 42 42 ASN N N 42 117.487 117.487 115.363 2.124 19283 2225 1 12 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.482 0.015 19283 2226 1 12 . 1 1 42 42 ASN CB C 42 37.147 37.147 38.134 -0.987 19283 2227 1 12 . 1 1 42 42 ASN H H 42 9.008 9.008 8.743 0.265 19283 2228 1 12 . 1 1 43 43 CYS N N 43 117.347 117.347 116.577 0.770 19283 2229 1 12 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.718 -0.116 19283 2230 1 12 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.963 -3.960 19283 2231 1 12 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.623 11.813 19283 2232 1 12 . 1 1 43 43 CYS H H 43 8.294 8.294 8.256 0.038 19283 2233 1 13 . 1 1 2 2 SER HA H 2 4.450 4.450 4.779 -0.329 19283 2234 1 13 . 1 1 2 2 SER CA C 2 58.088 58.088 58.252 -0.164 19283 2235 1 13 . 1 1 2 2 SER CB C 2 64.021 64.021 64.350 -0.329 19283 2236 1 13 . 1 1 3 3 MET N N 3 122.320 122.320 123.221 -0.901 19283 2237 1 13 . 1 1 3 3 MET HA H 3 4.500 4.500 4.724 -0.224 19283 2238 1 13 . 1 1 3 3 MET CA C 3 55.524 55.524 55.490 0.034 19283 2239 1 13 . 1 1 3 3 MET H H 3 8.398 8.398 8.325 0.073 19283 2240 1 13 . 1 1 4 4 ILE N N 4 122.503 122.503 120.505 1.998 19283 2241 1 13 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.681 -0.476 19283 2242 1 13 . 1 1 4 4 ILE CA C 4 60.941 60.941 61.313 -0.372 19283 2243 1 13 . 1 1 4 4 ILE CB C 4 38.817 38.817 39.785 -0.968 19283 2244 1 13 . 1 1 4 4 ILE H H 4 8.162 8.162 8.400 -0.238 19283 2245 1 13 . 1 1 5 5 THR N N 5 121.702 121.702 117.318 4.384 19283 2246 1 13 . 1 1 5 5 THR HA H 5 4.582 4.582 4.712 -0.130 19283 2247 1 13 . 1 1 5 5 THR CA C 5 59.724 59.724 59.409 0.315 19283 2248 1 13 . 1 1 5 5 THR CB C 5 69.776 69.776 69.506 0.270 19283 2249 1 13 . 1 1 5 5 THR H H 5 8.278 8.278 8.139 0.139 19283 2250 1 13 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.703 -0.288 19283 2251 1 13 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.707 0.525 19283 2252 1 13 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.648 -0.204 19283 2253 1 13 . 1 1 7 7 SER N N 7 116.292 116.292 114.485 1.807 19283 2254 1 13 . 1 1 7 7 SER HA H 7 4.467 4.467 4.593 -0.126 19283 2255 1 13 . 1 1 7 7 SER CA C 7 58.535 58.535 58.370 0.165 19283 2256 1 13 . 1 1 7 7 SER H H 7 8.337 8.337 8.322 0.015 19283 2257 1 13 . 1 1 8 8 CYS N N 8 119.603 119.603 120.222 -0.619 19283 2258 1 13 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.768 0.023 19283 2259 1 13 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.197 -5.461 19283 2260 1 13 . 1 1 8 8 CYS CB C 8 40.977 40.977 29.739 11.238 19283 2261 1 13 . 1 1 8 8 CYS H H 8 8.381 8.381 7.891 0.490 19283 2262 1 13 . 1 1 9 9 GLN N N 9 121.666 121.666 121.829 -0.163 19283 2263 1 13 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.538 -0.349 19283 2264 1 13 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.160 0.251 19283 2265 1 13 . 1 1 9 9 GLN CB C 9 29.646 29.646 30.791 -1.145 19283 2266 1 13 . 1 1 9 9 GLN H H 9 8.849 8.849 8.390 0.459 19283 2267 1 13 . 1 1 10 10 LYS N N 10 121.116 121.116 118.514 2.602 19283 2268 1 13 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.069 0.078 19283 2269 1 13 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.821 1.674 19283 2270 1 13 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.380 -0.137 19283 2271 1 13 . 1 1 10 10 LYS H H 10 8.404 8.404 8.570 -0.166 19283 2272 1 13 . 1 1 11 11 GLY N N 11 112.504 112.504 104.892 7.612 19283 2273 1 13 . 1 1 11 11 GLY CA C 11 45.286 45.286 45.849 -0.563 19283 2274 1 13 . 1 1 11 11 GLY H H 11 9.046 9.046 8.528 0.518 19283 2275 1 13 . 1 1 12 12 TYR N N 12 122.192 122.192 119.464 2.728 19283 2276 1 13 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.674 0.636 19283 2277 1 13 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.590 -3.206 19283 2278 1 13 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.235 1.848 19283 2279 1 13 . 1 1 12 12 TYR H H 12 8.449 8.449 7.691 0.758 19283 2280 1 13 . 1 1 13 13 PHE N N 13 119.921 119.921 117.740 2.181 19283 2281 1 13 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.017 0.197 19283 2282 1 13 . 1 1 13 13 PHE CA C 13 54.578 54.578 53.845 0.733 19283 2283 1 13 . 1 1 13 13 PHE CB C 13 41.184 41.184 41.090 0.094 19283 2284 1 13 . 1 1 13 13 PHE H H 13 9.541 9.541 8.406 1.135 19283 2285 1 13 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.633 0.431 19283 2286 1 13 . 1 1 14 14 PRO CA C 14 62.163 62.163 62.060 0.103 19283 2287 1 13 . 1 1 14 14 PRO CB C 14 32.885 32.885 32.009 0.876 19283 2288 1 13 . 1 1 15 15 CYS N N 15 119.902 119.902 121.401 -1.499 19283 2289 1 13 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.801 1.026 19283 2290 1 13 . 1 1 15 15 CYS CA C 15 55.136 55.136 61.163 -6.027 19283 2291 1 13 . 1 1 15 15 CYS CB C 15 38.087 38.087 27.886 10.201 19283 2292 1 13 . 1 1 15 15 CYS H H 15 8.183 8.183 8.346 -0.163 19283 2293 1 13 . 1 1 16 16 GLY N N 16 112.243 112.243 108.521 3.722 19283 2294 1 13 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.383 -0.225 19283 2295 1 13 . 1 1 16 16 GLY H H 16 8.055 8.055 8.897 -0.842 19283 2296 1 13 . 1 1 17 17 ASN N N 17 123.356 123.356 115.668 7.688 19283 2297 1 13 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.735 -0.150 19283 2298 1 13 . 1 1 17 17 ASN CA C 17 53.554 53.554 53.062 0.492 19283 2299 1 13 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.755 -1.740 19283 2300 1 13 . 1 1 17 17 ASN H H 17 8.674 8.674 8.303 0.370 19283 2301 1 13 . 1 1 18 18 LEU N N 18 119.935 119.935 121.419 -1.484 19283 2302 1 13 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.220 0.273 19283 2303 1 13 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.465 -1.129 19283 2304 1 13 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.632 0.423 19283 2305 1 13 . 1 1 18 18 LEU H H 18 7.693 7.693 7.949 -0.256 19283 2306 1 13 . 1 1 19 19 THR N N 19 113.712 113.712 113.413 0.299 19283 2307 1 13 . 1 1 19 19 THR HA H 19 4.074 4.074 4.374 -0.300 19283 2308 1 13 . 1 1 19 19 THR CA C 19 61.657 61.657 61.658 -0.001 19283 2309 1 13 . 1 1 19 19 THR CB C 19 68.103 68.103 68.551 -0.448 19283 2310 1 13 . 1 1 19 19 THR H H 19 8.202 8.202 8.130 0.072 19283 2311 1 13 . 1 1 20 20 LYS N N 20 123.274 123.274 121.658 1.616 19283 2312 1 13 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.330 -0.071 19283 2313 1 13 . 1 1 20 20 LYS CA C 20 56.532 56.532 56.047 0.485 19283 2314 1 13 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.649 1.344 19283 2315 1 13 . 1 1 20 20 LYS H H 20 7.480 7.480 7.682 -0.202 19283 2316 1 13 . 1 1 21 21 CYS N N 21 123.003 123.003 122.239 0.764 19283 2317 1 13 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.200 0.126 19283 2318 1 13 . 1 1 21 21 CYS CA C 21 54.861 54.861 57.895 -3.034 19283 2319 1 13 . 1 1 21 21 CYS CB C 21 45.734 45.734 27.864 17.870 19283 2320 1 13 . 1 1 21 21 CYS H H 21 8.489 8.489 8.612 -0.123 19283 2321 1 13 . 1 1 22 22 LEU N N 22 122.788 122.788 128.242 -5.454 19283 2322 1 13 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.844 0.054 19283 2323 1 13 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.480 -1.028 19283 2324 1 13 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.518 1.535 19283 2325 1 13 . 1 1 22 22 LEU H H 22 8.853 8.853 8.497 0.356 19283 2326 1 13 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.650 0.949 19283 2327 1 13 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.676 0.973 19283 2328 1 13 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.165 -0.191 19283 2329 1 13 . 1 1 24 24 ARG N N 24 121.052 121.052 118.543 2.509 19283 2330 1 13 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.216 -0.169 19283 2331 1 13 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.604 1.114 19283 2332 1 13 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.074 0.915 19283 2333 1 13 . 1 1 24 24 ARG H H 24 8.029 8.029 8.384 -0.355 19283 2334 1 13 . 1 1 25 25 ALA N N 25 121.473 121.473 121.194 0.279 19283 2335 1 13 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.279 -0.172 19283 2336 1 13 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.601 1.215 19283 2337 1 13 . 1 1 25 25 ALA H H 25 8.513 8.513 8.243 0.270 19283 2338 1 13 . 1 1 26 26 PHE N N 26 112.036 112.036 114.058 -2.022 19283 2339 1 13 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.428 0.512 19283 2340 1 13 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.482 -1.091 19283 2341 1 13 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.356 -0.744 19283 2342 1 13 . 1 1 26 26 PHE H H 26 7.973 7.973 7.430 0.543 19283 2343 1 13 . 1 1 27 27 HIS N N 27 125.821 125.821 120.751 5.070 19283 2344 1 13 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.475 1.244 19283 2345 1 13 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.622 -0.193 19283 2346 1 13 . 1 1 27 27 HIS H H 27 8.535 8.535 7.262 1.273 19283 2347 1 13 . 1 1 28 28 CYS N N 28 125.400 125.400 124.575 0.825 19283 2348 1 13 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.055 0.628 19283 2349 1 13 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.527 -3.162 19283 2350 1 13 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.925 10.421 19283 2351 1 13 . 1 1 28 28 CYS H H 28 8.840 8.840 8.356 0.484 19283 2352 1 13 . 1 1 29 29 ASP N N 29 120.999 120.999 123.793 -2.794 19283 2353 1 13 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.651 0.155 19283 2354 1 13 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.370 -1.532 19283 2355 1 13 . 1 1 29 29 ASP CB C 29 41.416 41.416 41.759 -0.343 19283 2356 1 13 . 1 1 29 29 ASP H H 29 9.539 9.539 8.507 1.032 19283 2357 1 13 . 1 1 30 30 GLY N N 30 110.119 110.119 107.041 3.078 19283 2358 1 13 . 1 1 30 30 GLY CA C 30 45.588 45.588 45.108 0.480 19283 2359 1 13 . 1 1 30 30 GLY H H 30 9.267 9.267 8.445 0.822 19283 2360 1 13 . 1 1 31 31 LYS N N 31 115.357 115.357 120.211 -4.854 19283 2361 1 13 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.626 0.130 19283 2362 1 13 . 1 1 31 31 LYS CB C 31 35.004 35.004 35.459 -0.455 19283 2363 1 13 . 1 1 31 31 LYS H H 31 7.306 7.306 7.786 -0.480 19283 2364 1 13 . 1 1 32 32 ASP N N 32 125.726 125.726 119.817 5.909 19283 2365 1 13 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.781 -0.097 19283 2366 1 13 . 1 1 32 32 ASP CA C 32 53.708 53.708 54.428 -0.720 19283 2367 1 13 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.137 -1.394 19283 2368 1 13 . 1 1 32 32 ASP H H 32 9.038 9.038 8.571 0.467 19283 2369 1 13 . 1 1 33 33 ASP N N 33 128.314 128.314 123.672 4.642 19283 2370 1 13 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.801 -0.172 19283 2371 1 13 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.352 0.270 19283 2372 1 13 . 1 1 33 33 ASP CB C 33 44.786 44.786 41.952 2.834 19283 2373 1 13 . 1 1 33 33 ASP H H 33 10.711 10.711 8.630 2.081 19283 2374 1 13 . 1 1 34 34 CYS N N 34 119.401 119.401 118.204 1.197 19283 2375 1 13 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.388 -0.019 19283 2376 1 13 . 1 1 34 34 CYS CA C 34 58.015 58.015 60.271 -2.256 19283 2377 1 13 . 1 1 34 34 CYS CB C 34 41.263 41.263 28.726 12.537 19283 2378 1 13 . 1 1 34 34 CYS H H 34 8.882 8.882 8.608 0.274 19283 2379 1 13 . 1 1 35 35 GLY N N 35 111.158 111.158 107.928 3.230 19283 2380 1 13 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.446 -0.393 19283 2381 1 13 . 1 1 35 35 GLY H H 35 9.647 9.647 8.576 1.071 19283 2382 1 13 . 1 1 36 36 ASN N N 36 116.001 116.001 119.220 -3.219 19283 2383 1 13 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.816 0.068 19283 2384 1 13 . 1 1 36 36 ASN CA C 36 51.306 51.306 53.139 -1.833 19283 2385 1 13 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.387 -0.227 19283 2386 1 13 . 1 1 36 36 ASN H H 36 7.280 7.280 8.439 -1.159 19283 2387 1 13 . 1 1 37 37 GLY N N 37 110.006 110.006 108.079 1.927 19283 2388 1 13 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.234 0.448 19283 2389 1 13 . 1 1 37 37 GLY H H 37 9.215 9.215 8.668 0.547 19283 2390 1 13 . 1 1 38 38 ALA N N 38 122.734 122.734 122.451 0.283 19283 2391 1 13 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.385 -0.284 19283 2392 1 13 . 1 1 38 38 ALA CA C 38 55.880 55.880 53.384 2.496 19283 2393 1 13 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.423 -0.285 19283 2394 1 13 . 1 1 38 38 ALA H H 38 7.953 7.953 8.224 -0.271 19283 2395 1 13 . 1 1 39 39 ASP N N 39 110.255 110.255 117.730 -7.475 19283 2396 1 13 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.807 -0.324 19283 2397 1 13 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.450 -1.982 19283 2398 1 13 . 1 1 39 39 ASP CB C 39 39.769 39.769 39.920 -0.151 19283 2399 1 13 . 1 1 39 39 ASP H H 39 10.386 10.386 8.841 1.545 19283 2400 1 13 . 1 1 40 40 GLU N N 40 117.907 117.907 117.478 0.429 19283 2401 1 13 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.116 0.546 19283 2402 1 13 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.155 -3.801 19283 2403 1 13 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.379 0.854 19283 2404 1 13 . 1 1 40 40 GLU H H 40 7.679 7.679 8.734 -1.055 19283 2405 1 13 . 1 1 41 41 GLU N N 41 120.082 120.082 118.137 1.945 19283 2406 1 13 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.296 0.046 19283 2407 1 13 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.486 -0.637 19283 2408 1 13 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.298 1.234 19283 2409 1 13 . 1 1 41 41 GLU H H 41 6.964 6.964 7.579 -0.615 19283 2410 1 13 . 1 1 42 42 ASN N N 42 117.487 117.487 113.969 3.518 19283 2411 1 13 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.491 0.006 19283 2412 1 13 . 1 1 42 42 ASN CB C 42 37.147 37.147 37.030 0.117 19283 2413 1 13 . 1 1 42 42 ASN H H 42 9.008 9.008 8.835 0.173 19283 2414 1 13 . 1 1 43 43 CYS N N 43 117.347 117.347 117.348 -0.001 19283 2415 1 13 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.561 0.041 19283 2416 1 13 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.995 -3.992 19283 2417 1 13 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.016 12.420 19283 2418 1 13 . 1 1 43 43 CYS H H 43 8.294 8.294 8.268 0.026 19283 2419 1 14 . 1 1 2 2 SER HA H 2 4.450 4.450 4.332 0.118 19283 2420 1 14 . 1 1 2 2 SER CA C 2 58.088 58.088 58.815 -0.727 19283 2421 1 14 . 1 1 2 2 SER CB C 2 64.021 64.021 63.387 0.634 19283 2422 1 14 . 1 1 3 3 MET N N 3 122.320 122.320 118.956 3.364 19283 2423 1 14 . 1 1 3 3 MET HA H 3 4.500 4.500 4.745 -0.245 19283 2424 1 14 . 1 1 3 3 MET CA C 3 55.524 55.524 55.546 -0.022 19283 2425 1 14 . 1 1 3 3 MET H H 3 8.398 8.398 8.426 -0.028 19283 2426 1 14 . 1 1 4 4 ILE N N 4 122.503 122.503 118.017 4.486 19283 2427 1 14 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.580 -0.375 19283 2428 1 14 . 1 1 4 4 ILE CA C 4 60.941 60.941 60.643 0.298 19283 2429 1 14 . 1 1 4 4 ILE CB C 4 38.817 38.817 39.674 -0.857 19283 2430 1 14 . 1 1 4 4 ILE H H 4 8.162 8.162 7.629 0.533 19283 2431 1 14 . 1 1 5 5 THR N N 5 121.702 121.702 115.369 6.333 19283 2432 1 14 . 1 1 5 5 THR HA H 5 4.582 4.582 4.270 0.312 19283 2433 1 14 . 1 1 5 5 THR CA C 5 59.724 59.724 62.208 -2.484 19283 2434 1 14 . 1 1 5 5 THR CB C 5 69.776 69.776 67.753 2.023 19283 2435 1 14 . 1 1 5 5 THR H H 5 8.278 8.278 8.421 -0.143 19283 2436 1 14 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.562 -0.147 19283 2437 1 14 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.369 0.863 19283 2438 1 14 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.489 -0.046 19283 2439 1 14 . 1 1 7 7 SER N N 7 116.292 116.292 113.719 2.573 19283 2440 1 14 . 1 1 7 7 SER HA H 7 4.467 4.467 4.564 -0.097 19283 2441 1 14 . 1 1 7 7 SER CA C 7 58.535 58.535 58.510 0.025 19283 2442 1 14 . 1 1 7 7 SER H H 7 8.337 8.337 8.407 -0.070 19283 2443 1 14 . 1 1 8 8 CYS N N 8 119.603 119.603 118.900 0.703 19283 2444 1 14 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.588 0.203 19283 2445 1 14 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.017 -5.281 19283 2446 1 14 . 1 1 8 8 CYS CB C 8 40.977 40.977 29.348 11.629 19283 2447 1 14 . 1 1 8 8 CYS H H 8 8.381 8.381 7.606 0.775 19283 2448 1 14 . 1 1 9 9 GLN N N 9 121.666 121.666 120.645 1.021 19283 2449 1 14 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.536 -0.347 19283 2450 1 14 . 1 1 9 9 GLN CA C 9 55.411 55.411 54.972 0.439 19283 2451 1 14 . 1 1 9 9 GLN CB C 9 29.646 29.646 31.304 -1.658 19283 2452 1 14 . 1 1 9 9 GLN H H 9 8.849 8.849 8.582 0.267 19283 2453 1 14 . 1 1 10 10 LYS N N 10 121.116 121.116 117.813 3.303 19283 2454 1 14 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.063 0.084 19283 2455 1 14 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.804 1.691 19283 2456 1 14 . 1 1 10 10 LYS CB C 10 32.243 32.243 31.832 0.411 19283 2457 1 14 . 1 1 10 10 LYS H H 10 8.404 8.404 8.499 -0.095 19283 2458 1 14 . 1 1 11 11 GLY N N 11 112.504 112.504 105.133 7.371 19283 2459 1 14 . 1 1 11 11 GLY CA C 11 45.286 45.286 46.125 -0.839 19283 2460 1 14 . 1 1 11 11 GLY H H 11 9.046 9.046 8.539 0.507 19283 2461 1 14 . 1 1 12 12 TYR N N 12 122.192 122.192 119.456 2.736 19283 2462 1 14 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.685 0.625 19283 2463 1 14 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.572 -3.188 19283 2464 1 14 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.208 1.875 19283 2465 1 14 . 1 1 12 12 TYR H H 12 8.449 8.449 7.735 0.714 19283 2466 1 14 . 1 1 13 13 PHE N N 13 119.921 119.921 117.151 2.770 19283 2467 1 14 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.035 0.179 19283 2468 1 14 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.028 0.550 19283 2469 1 14 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.581 0.603 19283 2470 1 14 . 1 1 13 13 PHE H H 13 9.541 9.541 8.589 0.952 19283 2471 1 14 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.499 0.565 19283 2472 1 14 . 1 1 14 14 PRO CA C 14 62.163 62.163 61.775 0.388 19283 2473 1 14 . 1 1 14 14 PRO CB C 14 32.885 32.885 32.012 0.873 19283 2474 1 14 . 1 1 15 15 CYS N N 15 119.902 119.902 123.659 -3.757 19283 2475 1 14 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.959 0.868 19283 2476 1 14 . 1 1 15 15 CYS CA C 15 55.136 55.136 58.695 -3.559 19283 2477 1 14 . 1 1 15 15 CYS CB C 15 38.087 38.087 24.496 13.591 19283 2478 1 14 . 1 1 15 15 CYS H H 15 8.183 8.183 8.417 -0.234 19283 2479 1 14 . 1 1 16 16 GLY N N 16 112.243 112.243 114.124 -1.881 19283 2480 1 14 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.066 0.092 19283 2481 1 14 . 1 1 16 16 GLY H H 16 8.055 8.055 8.545 -0.490 19283 2482 1 14 . 1 1 17 17 ASN N N 17 123.356 123.356 120.404 2.952 19283 2483 1 14 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.941 -0.356 19283 2484 1 14 . 1 1 17 17 ASN CA C 17 53.554 53.554 53.046 0.508 19283 2485 1 14 . 1 1 17 17 ASN CB C 17 38.014 38.014 40.397 -2.383 19283 2486 1 14 . 1 1 17 17 ASN H H 17 8.674 8.674 8.123 0.551 19283 2487 1 14 . 1 1 18 18 LEU N N 18 119.935 119.935 121.634 -1.699 19283 2488 1 14 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.193 0.300 19283 2489 1 14 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.471 -1.135 19283 2490 1 14 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.631 0.424 19283 2491 1 14 . 1 1 18 18 LEU H H 18 7.693 7.693 7.595 0.098 19283 2492 1 14 . 1 1 19 19 THR N N 19 113.712 113.712 112.922 0.790 19283 2493 1 14 . 1 1 19 19 THR HA H 19 4.074 4.074 4.267 -0.193 19283 2494 1 14 . 1 1 19 19 THR CA C 19 61.657 61.657 61.673 -0.016 19283 2495 1 14 . 1 1 19 19 THR CB C 19 68.103 68.103 68.562 -0.459 19283 2496 1 14 . 1 1 19 19 THR H H 19 8.202 8.202 8.083 0.119 19283 2497 1 14 . 1 1 20 20 LYS N N 20 123.274 123.274 121.452 1.822 19283 2498 1 14 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.360 -0.101 19283 2499 1 14 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.759 0.773 19283 2500 1 14 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.852 1.141 19283 2501 1 14 . 1 1 20 20 LYS H H 20 7.480 7.480 7.531 -0.051 19283 2502 1 14 . 1 1 21 21 CYS N N 21 123.003 123.003 121.884 1.119 19283 2503 1 14 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.294 0.032 19283 2504 1 14 . 1 1 21 21 CYS CA C 21 54.861 54.861 57.916 -3.055 19283 2505 1 14 . 1 1 21 21 CYS CB C 21 45.734 45.734 28.305 17.429 19283 2506 1 14 . 1 1 21 21 CYS H H 21 8.489 8.489 8.578 -0.089 19283 2507 1 14 . 1 1 22 22 LEU N N 22 122.788 122.788 126.123 -3.335 19283 2508 1 14 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.963 -0.065 19283 2509 1 14 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.145 -0.693 19283 2510 1 14 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.345 1.708 19283 2511 1 14 . 1 1 22 22 LEU H H 22 8.853 8.853 8.476 0.377 19283 2512 1 14 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.327 1.272 19283 2513 1 14 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.591 1.058 19283 2514 1 14 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.170 -0.196 19283 2515 1 14 . 1 1 24 24 ARG N N 24 121.052 121.052 118.346 2.706 19283 2516 1 14 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.242 -0.195 19283 2517 1 14 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.559 1.159 19283 2518 1 14 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.087 0.902 19283 2519 1 14 . 1 1 24 24 ARG H H 24 8.029 8.029 8.394 -0.365 19283 2520 1 14 . 1 1 25 25 ALA N N 25 121.473 121.473 121.193 0.280 19283 2521 1 14 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.278 -0.171 19283 2522 1 14 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.602 1.214 19283 2523 1 14 . 1 1 25 25 ALA H H 25 8.513 8.513 8.241 0.272 19283 2524 1 14 . 1 1 26 26 PHE N N 26 112.036 112.036 115.425 -3.389 19283 2525 1 14 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.169 0.771 19283 2526 1 14 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.802 -1.411 19283 2527 1 14 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.498 -0.886 19283 2528 1 14 . 1 1 26 26 PHE H H 26 7.973 7.973 7.383 0.590 19283 2529 1 14 . 1 1 27 27 HIS N N 27 125.821 125.821 121.320 4.501 19283 2530 1 14 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.494 1.225 19283 2531 1 14 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.310 0.119 19283 2532 1 14 . 1 1 27 27 HIS H H 27 8.535 8.535 7.212 1.323 19283 2533 1 14 . 1 1 28 28 CYS N N 28 125.400 125.400 125.310 0.090 19283 2534 1 14 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.064 0.619 19283 2535 1 14 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.842 -3.477 19283 2536 1 14 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.325 11.021 19283 2537 1 14 . 1 1 28 28 CYS H H 28 8.840 8.840 8.293 0.547 19283 2538 1 14 . 1 1 29 29 ASP N N 29 120.999 120.999 124.253 -3.254 19283 2539 1 14 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.544 0.262 19283 2540 1 14 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.474 -1.636 19283 2541 1 14 . 1 1 29 29 ASP CB C 29 41.416 41.416 42.377 -0.961 19283 2542 1 14 . 1 1 29 29 ASP H H 29 9.539 9.539 8.551 0.988 19283 2543 1 14 . 1 1 30 30 GLY N N 30 110.119 110.119 107.871 2.248 19283 2544 1 14 . 1 1 30 30 GLY CA C 30 45.588 45.588 44.990 0.598 19283 2545 1 14 . 1 1 30 30 GLY H H 30 9.267 9.267 8.568 0.699 19283 2546 1 14 . 1 1 31 31 LYS N N 31 115.357 115.357 120.398 -5.041 19283 2547 1 14 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.580 0.176 19283 2548 1 14 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.989 0.015 19283 2549 1 14 . 1 1 31 31 LYS H H 31 7.306 7.306 7.614 -0.308 19283 2550 1 14 . 1 1 32 32 ASP N N 32 125.726 125.726 120.619 5.107 19283 2551 1 14 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.613 0.071 19283 2552 1 14 . 1 1 32 32 ASP CA C 32 53.708 53.708 55.276 -1.568 19283 2553 1 14 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.163 -1.420 19283 2554 1 14 . 1 1 32 32 ASP H H 32 9.038 9.038 8.597 0.441 19283 2555 1 14 . 1 1 33 33 ASP N N 33 128.314 128.314 121.652 6.662 19283 2556 1 14 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.848 -0.219 19283 2557 1 14 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.228 0.394 19283 2558 1 14 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.198 2.588 19283 2559 1 14 . 1 1 33 33 ASP H H 33 10.711 10.711 8.939 1.772 19283 2560 1 14 . 1 1 34 34 CYS N N 34 119.401 119.401 118.505 0.896 19283 2561 1 14 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.888 -0.519 19283 2562 1 14 . 1 1 34 34 CYS CA C 34 58.015 58.015 59.650 -1.635 19283 2563 1 14 . 1 1 34 34 CYS CB C 34 41.263 41.263 29.672 11.591 19283 2564 1 14 . 1 1 34 34 CYS H H 34 8.882 8.882 8.092 0.789 19283 2565 1 14 . 1 1 35 35 GLY N N 35 111.158 111.158 108.764 2.394 19283 2566 1 14 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.384 -0.331 19283 2567 1 14 . 1 1 35 35 GLY H H 35 9.647 9.647 8.772 0.875 19283 2568 1 14 . 1 1 36 36 ASN N N 36 116.001 116.001 120.852 -4.851 19283 2569 1 14 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.685 0.199 19283 2570 1 14 . 1 1 36 36 ASN CA C 36 51.306 51.306 53.292 -1.986 19283 2571 1 14 . 1 1 36 36 ASN CB C 36 39.160 39.160 38.743 0.417 19283 2572 1 14 . 1 1 36 36 ASN H H 36 7.280 7.280 8.325 -1.045 19283 2573 1 14 . 1 1 37 37 GLY N N 37 110.006 110.006 106.675 3.331 19283 2574 1 14 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.249 0.433 19283 2575 1 14 . 1 1 37 37 GLY H H 37 9.215 9.215 8.400 0.815 19283 2576 1 14 . 1 1 38 38 ALA N N 38 122.734 122.734 122.807 -0.073 19283 2577 1 14 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.432 -0.331 19283 2578 1 14 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.781 3.099 19283 2579 1 14 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.754 -0.616 19283 2580 1 14 . 1 1 38 38 ALA H H 38 7.953 7.953 8.239 -0.286 19283 2581 1 14 . 1 1 39 39 ASP N N 39 110.255 110.255 118.079 -7.824 19283 2582 1 14 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.769 -0.286 19283 2583 1 14 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.447 -1.979 19283 2584 1 14 . 1 1 39 39 ASP CB C 39 39.769 39.769 39.816 -0.047 19283 2585 1 14 . 1 1 39 39 ASP H H 39 10.386 10.386 8.912 1.474 19283 2586 1 14 . 1 1 40 40 GLU N N 40 117.907 117.907 117.430 0.477 19283 2587 1 14 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.141 0.521 19283 2588 1 14 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.151 -3.797 19283 2589 1 14 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.456 0.777 19283 2590 1 14 . 1 1 40 40 GLU H H 40 7.679 7.679 8.653 -0.974 19283 2591 1 14 . 1 1 41 41 GLU N N 41 120.082 120.082 118.579 1.503 19283 2592 1 14 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.240 0.102 19283 2593 1 14 . 1 1 41 41 GLU CA C 41 55.849 55.849 55.851 -0.002 19283 2594 1 14 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.187 1.345 19283 2595 1 14 . 1 1 41 41 GLU H H 41 6.964 6.964 7.722 -0.758 19283 2596 1 14 . 1 1 42 42 ASN N N 42 117.487 117.487 116.149 1.338 19283 2597 1 14 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.437 0.060 19283 2598 1 14 . 1 1 42 42 ASN CB C 42 37.147 37.147 37.804 -0.657 19283 2599 1 14 . 1 1 42 42 ASN H H 42 9.008 9.008 8.866 0.142 19283 2600 1 14 . 1 1 43 43 CYS N N 43 117.347 117.347 117.243 0.104 19283 2601 1 14 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.636 -0.034 19283 2602 1 14 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.646 -3.643 19283 2603 1 14 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.268 12.168 19283 2604 1 14 . 1 1 43 43 CYS H H 43 8.294 8.294 8.236 0.058 19283 2605 1 15 . 1 1 2 2 SER HA H 2 4.450 4.450 4.495 -0.045 19283 2606 1 15 . 1 1 2 2 SER CA C 2 58.088 58.088 58.487 -0.399 19283 2607 1 15 . 1 1 2 2 SER CB C 2 64.021 64.021 63.960 0.061 19283 2608 1 15 . 1 1 3 3 MET N N 3 122.320 122.320 122.850 -0.530 19283 2609 1 15 . 1 1 3 3 MET HA H 3 4.500 4.500 4.571 -0.071 19283 2610 1 15 . 1 1 3 3 MET CA C 3 55.524 55.524 55.434 0.090 19283 2611 1 15 . 1 1 3 3 MET H H 3 8.398 8.398 8.365 0.033 19283 2612 1 15 . 1 1 4 4 ILE N N 4 122.503 122.503 120.020 2.483 19283 2613 1 15 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.277 -0.072 19283 2614 1 15 . 1 1 4 4 ILE CA C 4 60.941 60.941 61.789 -0.848 19283 2615 1 15 . 1 1 4 4 ILE CB C 4 38.817 38.817 38.485 0.332 19283 2616 1 15 . 1 1 4 4 ILE H H 4 8.162 8.162 7.750 0.412 19283 2617 1 15 . 1 1 5 5 THR N N 5 121.702 121.702 113.293 8.409 19283 2618 1 15 . 1 1 5 5 THR HA H 5 4.582 4.582 4.679 -0.097 19283 2619 1 15 . 1 1 5 5 THR CA C 5 59.724 59.724 59.581 0.143 19283 2620 1 15 . 1 1 5 5 THR CB C 5 69.776 69.776 70.269 -0.493 19283 2621 1 15 . 1 1 5 5 THR H H 5 8.278 8.278 7.870 0.408 19283 2622 1 15 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.595 -0.180 19283 2623 1 15 . 1 1 6 6 PRO CA C 6 63.232 63.232 63.289 -0.057 19283 2624 1 15 . 1 1 6 6 PRO CB C 6 32.443 32.443 31.848 0.595 19283 2625 1 15 . 1 1 7 7 SER N N 7 116.292 116.292 117.487 -1.195 19283 2626 1 15 . 1 1 7 7 SER HA H 7 4.467 4.467 4.542 -0.075 19283 2627 1 15 . 1 1 7 7 SER CA C 7 58.535 58.535 58.538 -0.003 19283 2628 1 15 . 1 1 7 7 SER H H 7 8.337 8.337 8.791 -0.454 19283 2629 1 15 . 1 1 8 8 CYS N N 8 119.603 119.603 120.540 -0.937 19283 2630 1 15 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.830 -0.039 19283 2631 1 15 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.170 -5.434 19283 2632 1 15 . 1 1 8 8 CYS CB C 8 40.977 40.977 28.651 12.326 19283 2633 1 15 . 1 1 8 8 CYS H H 8 8.381 8.381 8.247 0.134 19283 2634 1 15 . 1 1 9 9 GLN N N 9 121.666 121.666 120.337 1.329 19283 2635 1 15 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.501 -0.312 19283 2636 1 15 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.045 0.366 19283 2637 1 15 . 1 1 9 9 GLN CB C 9 29.646 29.646 30.792 -1.146 19283 2638 1 15 . 1 1 9 9 GLN H H 9 8.849 8.849 8.463 0.386 19283 2639 1 15 . 1 1 10 10 LYS N N 10 121.116 121.116 119.130 1.986 19283 2640 1 15 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.072 0.075 19283 2641 1 15 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.985 1.510 19283 2642 1 15 . 1 1 10 10 LYS CB C 10 32.243 32.243 31.456 0.787 19283 2643 1 15 . 1 1 10 10 LYS H H 10 8.404 8.404 9.094 -0.690 19283 2644 1 15 . 1 1 11 11 GLY N N 11 112.504 112.504 103.142 9.362 19283 2645 1 15 . 1 1 11 11 GLY CA C 11 45.286 45.286 45.151 0.135 19283 2646 1 15 . 1 1 11 11 GLY H H 11 9.046 9.046 8.481 0.565 19283 2647 1 15 . 1 1 12 12 TYR N N 12 122.192 122.192 120.995 1.197 19283 2648 1 15 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.807 0.503 19283 2649 1 15 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.770 -3.386 19283 2650 1 15 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.230 1.853 19283 2651 1 15 . 1 1 12 12 TYR H H 12 8.449 8.449 7.804 0.645 19283 2652 1 15 . 1 1 13 13 PHE N N 13 119.921 119.921 117.531 2.390 19283 2653 1 15 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.045 0.169 19283 2654 1 15 . 1 1 13 13 PHE CA C 13 54.578 54.578 53.985 0.593 19283 2655 1 15 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.899 0.285 19283 2656 1 15 . 1 1 13 13 PHE H H 13 9.541 9.541 8.461 1.080 19283 2657 1 15 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.395 0.669 19283 2658 1 15 . 1 1 14 14 PRO CA C 14 62.163 62.163 62.113 0.050 19283 2659 1 15 . 1 1 14 14 PRO CB C 14 32.885 32.885 31.822 1.063 19283 2660 1 15 . 1 1 15 15 CYS N N 15 119.902 119.902 121.848 -1.946 19283 2661 1 15 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.847 0.980 19283 2662 1 15 . 1 1 15 15 CYS CA C 15 55.136 55.136 60.173 -5.037 19283 2663 1 15 . 1 1 15 15 CYS CB C 15 38.087 38.087 28.333 9.754 19283 2664 1 15 . 1 1 15 15 CYS H H 15 8.183 8.183 8.128 0.055 19283 2665 1 15 . 1 1 16 16 GLY N N 16 112.243 112.243 109.900 2.343 19283 2666 1 15 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.134 0.024 19283 2667 1 15 . 1 1 16 16 GLY H H 16 8.055 8.055 8.734 -0.679 19283 2668 1 15 . 1 1 17 17 ASN N N 17 123.356 123.356 115.894 7.462 19283 2669 1 15 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.671 -0.086 19283 2670 1 15 . 1 1 17 17 ASN CA C 17 53.554 53.554 53.229 0.325 19283 2671 1 15 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.043 -1.029 19283 2672 1 15 . 1 1 17 17 ASN H H 17 8.674 8.674 8.321 0.353 19283 2673 1 15 . 1 1 18 18 LEU N N 18 119.935 119.935 121.091 -1.156 19283 2674 1 15 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.428 0.065 19283 2675 1 15 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.808 -1.472 19283 2676 1 15 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.749 0.306 19283 2677 1 15 . 1 1 18 18 LEU H H 18 7.693 7.693 7.607 0.086 19283 2678 1 15 . 1 1 19 19 THR N N 19 113.712 113.712 112.367 1.345 19283 2679 1 15 . 1 1 19 19 THR HA H 19 4.074 4.074 4.305 -0.231 19283 2680 1 15 . 1 1 19 19 THR CA C 19 61.657 61.657 61.351 0.306 19283 2681 1 15 . 1 1 19 19 THR CB C 19 68.103 68.103 68.638 -0.535 19283 2682 1 15 . 1 1 19 19 THR H H 19 8.202 8.202 8.143 0.059 19283 2683 1 15 . 1 1 20 20 LYS N N 20 123.274 123.274 122.748 0.526 19283 2684 1 15 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.350 -0.091 19283 2685 1 15 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.620 0.912 19283 2686 1 15 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.547 1.446 19283 2687 1 15 . 1 1 20 20 LYS H H 20 7.480 7.480 7.684 -0.204 19283 2688 1 15 . 1 1 21 21 CYS N N 21 123.003 123.003 124.095 -1.092 19283 2689 1 15 . 1 1 21 21 CYS HA H 21 5.326 5.326 4.975 0.351 19283 2690 1 15 . 1 1 21 21 CYS CA C 21 54.861 54.861 58.411 -3.550 19283 2691 1 15 . 1 1 21 21 CYS CB C 21 45.734 45.734 27.088 18.646 19283 2692 1 15 . 1 1 21 21 CYS H H 21 8.489 8.489 8.734 -0.245 19283 2693 1 15 . 1 1 22 22 LEU N N 22 122.788 122.788 128.612 -5.824 19283 2694 1 15 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.851 0.047 19283 2695 1 15 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.482 -1.030 19283 2696 1 15 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.487 1.566 19283 2697 1 15 . 1 1 22 22 LEU H H 22 8.853 8.853 8.573 0.280 19283 2698 1 15 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.714 0.885 19283 2699 1 15 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.777 0.872 19283 2700 1 15 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.136 -0.162 19283 2701 1 15 . 1 1 24 24 ARG N N 24 121.052 121.052 119.035 2.017 19283 2702 1 15 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.213 -0.166 19283 2703 1 15 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.655 1.063 19283 2704 1 15 . 1 1 24 24 ARG CB C 24 29.989 29.989 28.939 1.050 19283 2705 1 15 . 1 1 24 24 ARG H H 24 8.029 8.029 8.423 -0.394 19283 2706 1 15 . 1 1 25 25 ALA N N 25 121.473 121.473 121.211 0.262 19283 2707 1 15 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.265 -0.158 19283 2708 1 15 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.623 1.193 19283 2709 1 15 . 1 1 25 25 ALA H H 25 8.513 8.513 8.234 0.279 19283 2710 1 15 . 1 1 26 26 PHE N N 26 112.036 112.036 114.090 -2.054 19283 2711 1 15 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.466 0.474 19283 2712 1 15 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.166 -0.775 19283 2713 1 15 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.296 -0.684 19283 2714 1 15 . 1 1 26 26 PHE H H 26 7.973 7.973 7.456 0.517 19283 2715 1 15 . 1 1 27 27 HIS N N 27 125.821 125.821 120.683 5.138 19283 2716 1 15 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.491 1.228 19283 2717 1 15 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.279 0.150 19283 2718 1 15 . 1 1 27 27 HIS H H 27 8.535 8.535 7.320 1.215 19283 2719 1 15 . 1 1 28 28 CYS N N 28 125.400 125.400 124.471 0.929 19283 2720 1 15 . 1 1 28 28 CYS HA H 28 4.683 4.683 3.994 0.689 19283 2721 1 15 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.615 -3.250 19283 2722 1 15 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.595 10.751 19283 2723 1 15 . 1 1 28 28 CYS H H 28 8.840 8.840 8.155 0.685 19283 2724 1 15 . 1 1 29 29 ASP N N 29 120.999 120.999 123.904 -2.905 19283 2725 1 15 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.675 0.131 19283 2726 1 15 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.386 -1.548 19283 2727 1 15 . 1 1 29 29 ASP CB C 29 41.416 41.416 41.812 -0.396 19283 2728 1 15 . 1 1 29 29 ASP H H 29 9.539 9.539 8.530 1.009 19283 2729 1 15 . 1 1 30 30 GLY N N 30 110.119 110.119 107.441 2.678 19283 2730 1 15 . 1 1 30 30 GLY CA C 30 45.588 45.588 45.236 0.353 19283 2731 1 15 . 1 1 30 30 GLY H H 30 9.267 9.267 8.520 0.747 19283 2732 1 15 . 1 1 31 31 LYS N N 31 115.357 115.357 119.469 -4.112 19283 2733 1 15 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.638 0.118 19283 2734 1 15 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.947 0.057 19283 2735 1 15 . 1 1 31 31 LYS H H 31 7.306 7.306 7.666 -0.360 19283 2736 1 15 . 1 1 32 32 ASP N N 32 125.726 125.726 119.481 6.245 19283 2737 1 15 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.660 0.024 19283 2738 1 15 . 1 1 32 32 ASP CA C 32 53.708 53.708 54.824 -1.116 19283 2739 1 15 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.157 -1.414 19283 2740 1 15 . 1 1 32 32 ASP H H 32 9.038 9.038 8.473 0.565 19283 2741 1 15 . 1 1 33 33 ASP N N 33 128.314 128.314 122.409 5.905 19283 2742 1 15 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.849 -0.220 19283 2743 1 15 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.761 -0.140 19283 2744 1 15 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.221 2.564 19283 2745 1 15 . 1 1 33 33 ASP H H 33 10.711 10.711 8.750 1.961 19283 2746 1 15 . 1 1 34 34 CYS N N 34 119.401 119.401 117.463 1.938 19283 2747 1 15 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.643 -0.274 19283 2748 1 15 . 1 1 34 34 CYS CA C 34 58.015 58.015 59.647 -1.632 19283 2749 1 15 . 1 1 34 34 CYS CB C 34 41.263 41.263 27.666 13.597 19283 2750 1 15 . 1 1 34 34 CYS H H 34 8.882 8.882 8.637 0.245 19283 2751 1 15 . 1 1 35 35 GLY N N 35 111.158 111.158 108.363 2.795 19283 2752 1 15 . 1 1 35 35 GLY CA C 35 45.053 45.053 46.463 -1.410 19283 2753 1 15 . 1 1 35 35 GLY H H 35 9.647 9.647 8.561 1.086 19283 2754 1 15 . 1 1 36 36 ASN N N 36 116.001 116.001 120.379 -4.378 19283 2755 1 15 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.745 0.139 19283 2756 1 15 . 1 1 36 36 ASN CA C 36 51.306 51.306 52.851 -1.545 19283 2757 1 15 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.343 -0.183 19283 2758 1 15 . 1 1 36 36 ASN H H 36 7.280 7.280 8.243 -0.963 19283 2759 1 15 . 1 1 37 37 GLY N N 37 110.006 110.006 105.994 4.012 19283 2760 1 15 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.342 0.340 19283 2761 1 15 . 1 1 37 37 GLY H H 37 9.215 9.215 8.435 0.780 19283 2762 1 15 . 1 1 38 38 ALA N N 38 122.734 122.734 122.235 0.499 19283 2763 1 15 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.531 -0.430 19283 2764 1 15 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.434 3.446 19283 2765 1 15 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.817 -0.679 19283 2766 1 15 . 1 1 38 38 ALA H H 38 7.953 7.953 8.331 -0.378 19283 2767 1 15 . 1 1 39 39 ASP N N 39 110.255 110.255 119.985 -9.730 19283 2768 1 15 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.764 -0.281 19283 2769 1 15 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.604 -2.136 19283 2770 1 15 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.446 -0.677 19283 2771 1 15 . 1 1 39 39 ASP H H 39 10.386 10.386 8.904 1.482 19283 2772 1 15 . 1 1 40 40 GLU N N 40 117.907 117.907 118.662 -0.755 19283 2773 1 15 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.093 0.569 19283 2774 1 15 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.680 -4.326 19283 2775 1 15 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.479 0.754 19283 2776 1 15 . 1 1 40 40 GLU H H 40 7.679 7.679 8.592 -0.913 19283 2777 1 15 . 1 1 41 41 GLU N N 41 120.082 120.082 117.960 2.122 19283 2778 1 15 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.195 0.147 19283 2779 1 15 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.614 -0.765 19283 2780 1 15 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.271 1.261 19283 2781 1 15 . 1 1 41 41 GLU H H 41 6.964 6.964 7.798 -0.834 19283 2782 1 15 . 1 1 42 42 ASN N N 42 117.487 117.487 113.537 3.950 19283 2783 1 15 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.448 0.049 19283 2784 1 15 . 1 1 42 42 ASN CB C 42 37.147 37.147 37.042 0.105 19283 2785 1 15 . 1 1 42 42 ASN H H 42 9.008 9.008 8.833 0.175 19283 2786 1 15 . 1 1 43 43 CYS N N 43 117.347 117.347 116.817 0.530 19283 2787 1 15 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.503 0.099 19283 2788 1 15 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.726 -3.723 19283 2789 1 15 . 1 1 43 43 CYS CB C 43 39.436 39.436 26.579 12.857 19283 2790 1 15 . 1 1 43 43 CYS H H 43 8.294 8.294 8.109 0.185 19283 2791 1 16 . 1 1 2 2 SER HA H 2 4.450 4.450 4.968 -0.518 19283 2792 1 16 . 1 1 2 2 SER CA C 2 58.088 58.088 57.517 0.571 19283 2793 1 16 . 1 1 2 2 SER CB C 2 64.021 64.021 66.466 -2.445 19283 2794 1 16 . 1 1 3 3 MET N N 3 122.320 122.320 120.754 1.566 19283 2795 1 16 . 1 1 3 3 MET HA H 3 4.500 4.500 4.609 -0.109 19283 2796 1 16 . 1 1 3 3 MET CA C 3 55.524 55.524 55.823 -0.299 19283 2797 1 16 . 1 1 3 3 MET H H 3 8.398 8.398 8.330 0.068 19283 2798 1 16 . 1 1 4 4 ILE N N 4 122.503 122.503 122.132 0.371 19283 2799 1 16 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.150 0.055 19283 2800 1 16 . 1 1 4 4 ILE CA C 4 60.941 60.941 61.044 -0.103 19283 2801 1 16 . 1 1 4 4 ILE CB C 4 38.817 38.817 38.164 0.653 19283 2802 1 16 . 1 1 4 4 ILE H H 4 8.162 8.162 7.744 0.418 19283 2803 1 16 . 1 1 5 5 THR N N 5 121.702 121.702 120.772 0.930 19283 2804 1 16 . 1 1 5 5 THR HA H 5 4.582 4.582 4.716 -0.134 19283 2805 1 16 . 1 1 5 5 THR CA C 5 59.724 59.724 59.256 0.468 19283 2806 1 16 . 1 1 5 5 THR CB C 5 69.776 69.776 68.278 1.498 19283 2807 1 16 . 1 1 5 5 THR H H 5 8.278 8.278 8.682 -0.404 19283 2808 1 16 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.566 -0.151 19283 2809 1 16 . 1 1 6 6 PRO CA C 6 63.232 63.232 63.170 0.062 19283 2810 1 16 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.442 0.001 19283 2811 1 16 . 1 1 7 7 SER N N 7 116.292 116.292 117.209 -0.917 19283 2812 1 16 . 1 1 7 7 SER HA H 7 4.467 4.467 4.527 -0.060 19283 2813 1 16 . 1 1 7 7 SER CA C 7 58.535 58.535 58.089 0.446 19283 2814 1 16 . 1 1 7 7 SER H H 7 8.337 8.337 8.729 -0.392 19283 2815 1 16 . 1 1 8 8 CYS N N 8 119.603 119.603 120.870 -1.267 19283 2816 1 16 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.747 0.044 19283 2817 1 16 . 1 1 8 8 CYS CA C 8 52.736 52.736 57.760 -5.024 19283 2818 1 16 . 1 1 8 8 CYS CB C 8 40.977 40.977 27.837 13.140 19283 2819 1 16 . 1 1 8 8 CYS H H 8 8.381 8.381 8.011 0.370 19283 2820 1 16 . 1 1 9 9 GLN N N 9 121.666 121.666 123.858 -2.192 19283 2821 1 16 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.445 -0.256 19283 2822 1 16 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.387 0.024 19283 2823 1 16 . 1 1 9 9 GLN CB C 9 29.646 29.646 31.226 -1.580 19283 2824 1 16 . 1 1 9 9 GLN H H 9 8.849 8.849 8.272 0.577 19283 2825 1 16 . 1 1 10 10 LYS N N 10 121.116 121.116 121.555 -0.439 19283 2826 1 16 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.078 0.069 19283 2827 1 16 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.469 2.026 19283 2828 1 16 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.662 -0.419 19283 2829 1 16 . 1 1 10 10 LYS H H 10 8.404 8.404 9.061 -0.657 19283 2830 1 16 . 1 1 11 11 GLY N N 11 112.504 112.504 112.303 0.201 19283 2831 1 16 . 1 1 11 11 GLY CA C 11 45.286 45.286 45.422 -0.136 19283 2832 1 16 . 1 1 11 11 GLY H H 11 9.046 9.046 8.690 0.356 19283 2833 1 16 . 1 1 12 12 TYR N N 12 122.192 122.192 122.712 -0.520 19283 2834 1 16 . 1 1 12 12 TYR HA H 12 5.310 5.310 5.374 -0.064 19283 2835 1 16 . 1 1 12 12 TYR CA C 12 56.384 56.384 57.677 -1.293 19283 2836 1 16 . 1 1 12 12 TYR CB C 12 41.083 41.083 40.305 0.778 19283 2837 1 16 . 1 1 12 12 TYR H H 12 8.449 8.449 7.612 0.837 19283 2838 1 16 . 1 1 13 13 PHE N N 13 119.921 119.921 117.906 2.015 19283 2839 1 16 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.025 0.189 19283 2840 1 16 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.442 0.136 19283 2841 1 16 . 1 1 13 13 PHE CB C 13 41.184 41.184 41.079 0.105 19283 2842 1 16 . 1 1 13 13 PHE H H 13 9.541 9.541 8.368 1.173 19283 2843 1 16 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.584 0.480 19283 2844 1 16 . 1 1 14 14 PRO CA C 14 62.163 62.163 61.798 0.365 19283 2845 1 16 . 1 1 14 14 PRO CB C 14 32.885 32.885 31.964 0.921 19283 2846 1 16 . 1 1 15 15 CYS N N 15 119.902 119.902 124.064 -4.162 19283 2847 1 16 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.994 0.833 19283 2848 1 16 . 1 1 15 15 CYS CA C 15 55.136 55.136 59.833 -4.697 19283 2849 1 16 . 1 1 15 15 CYS CB C 15 38.087 38.087 24.623 13.463 19283 2850 1 16 . 1 1 15 15 CYS H H 15 8.183 8.183 8.563 -0.380 19283 2851 1 16 . 1 1 16 16 GLY N N 16 112.243 112.243 116.006 -3.763 19283 2852 1 16 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.293 -0.135 19283 2853 1 16 . 1 1 16 16 GLY H H 16 8.055 8.055 8.719 -0.664 19283 2854 1 16 . 1 1 17 17 ASN N N 17 123.356 123.356 121.158 2.198 19283 2855 1 16 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.897 -0.312 19283 2856 1 16 . 1 1 17 17 ASN CA C 17 53.554 53.554 52.470 1.084 19283 2857 1 16 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.911 -1.897 19283 2858 1 16 . 1 1 17 17 ASN H H 17 8.674 8.674 8.196 0.478 19283 2859 1 16 . 1 1 18 18 LEU N N 18 119.935 119.935 121.048 -1.113 19283 2860 1 16 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.632 -0.139 19283 2861 1 16 . 1 1 18 18 LEU CA C 18 54.336 54.336 54.879 -0.543 19283 2862 1 16 . 1 1 18 18 LEU CB C 18 43.055 43.055 43.316 -0.260 19283 2863 1 16 . 1 1 18 18 LEU H H 18 7.693 7.693 8.179 -0.486 19283 2864 1 16 . 1 1 19 19 THR N N 19 113.712 113.712 113.231 0.481 19283 2865 1 16 . 1 1 19 19 THR HA H 19 4.074 4.074 4.357 -0.283 19283 2866 1 16 . 1 1 19 19 THR CA C 19 61.657 61.657 61.345 0.312 19283 2867 1 16 . 1 1 19 19 THR CB C 19 68.103 68.103 68.353 -0.250 19283 2868 1 16 . 1 1 19 19 THR H H 19 8.202 8.202 8.241 -0.039 19283 2869 1 16 . 1 1 20 20 LYS N N 20 123.274 123.274 121.476 1.798 19283 2870 1 16 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.426 -0.167 19283 2871 1 16 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.272 1.260 19283 2872 1 16 . 1 1 20 20 LYS CB C 20 34.993 34.993 34.410 0.583 19283 2873 1 16 . 1 1 20 20 LYS H H 20 7.480 7.480 7.525 -0.045 19283 2874 1 16 . 1 1 21 21 CYS N N 21 123.003 123.003 121.378 1.625 19283 2875 1 16 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.252 0.074 19283 2876 1 16 . 1 1 21 21 CYS CA C 21 54.861 54.861 58.230 -3.369 19283 2877 1 16 . 1 1 21 21 CYS CB C 21 45.734 45.734 28.222 17.512 19283 2878 1 16 . 1 1 21 21 CYS H H 21 8.489 8.489 8.631 -0.142 19283 2879 1 16 . 1 1 22 22 LEU N N 22 122.788 122.788 128.044 -5.256 19283 2880 1 16 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.772 0.126 19283 2881 1 16 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.745 -1.293 19283 2882 1 16 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.948 1.105 19283 2883 1 16 . 1 1 22 22 LEU H H 22 8.853 8.853 8.377 0.476 19283 2884 1 16 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.643 0.956 19283 2885 1 16 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.673 0.976 19283 2886 1 16 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.166 -0.192 19283 2887 1 16 . 1 1 24 24 ARG N N 24 121.052 121.052 118.488 2.564 19283 2888 1 16 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.347 -0.300 19283 2889 1 16 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.485 1.233 19283 2890 1 16 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.235 0.754 19283 2891 1 16 . 1 1 24 24 ARG H H 24 8.029 8.029 8.411 -0.382 19283 2892 1 16 . 1 1 25 25 ALA N N 25 121.473 121.473 121.047 0.426 19283 2893 1 16 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.287 -0.180 19283 2894 1 16 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.434 1.382 19283 2895 1 16 . 1 1 25 25 ALA H H 25 8.513 8.513 8.201 0.312 19283 2896 1 16 . 1 1 26 26 PHE N N 26 112.036 112.036 114.494 -2.458 19283 2897 1 16 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.439 0.501 19283 2898 1 16 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.517 -1.126 19283 2899 1 16 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.258 -0.646 19283 2900 1 16 . 1 1 26 26 PHE H H 26 7.973 7.973 7.453 0.520 19283 2901 1 16 . 1 1 27 27 HIS N N 27 125.821 125.821 120.862 4.959 19283 2902 1 16 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.474 1.245 19283 2903 1 16 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.366 0.063 19283 2904 1 16 . 1 1 27 27 HIS H H 27 8.535 8.535 7.225 1.310 19283 2905 1 16 . 1 1 28 28 CYS N N 28 125.400 125.400 124.692 0.708 19283 2906 1 16 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.012 0.671 19283 2907 1 16 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.562 -3.197 19283 2908 1 16 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.631 10.715 19283 2909 1 16 . 1 1 28 28 CYS H H 28 8.840 8.840 8.230 0.610 19283 2910 1 16 . 1 1 29 29 ASP N N 29 120.999 120.999 123.330 -2.331 19283 2911 1 16 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.627 0.179 19283 2912 1 16 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.361 -1.523 19283 2913 1 16 . 1 1 29 29 ASP CB C 29 41.416 41.416 41.670 -0.254 19283 2914 1 16 . 1 1 29 29 ASP H H 29 9.539 9.539 8.500 1.039 19283 2915 1 16 . 1 1 30 30 GLY N N 30 110.119 110.119 107.357 2.762 19283 2916 1 16 . 1 1 30 30 GLY CA C 30 45.588 45.588 45.024 0.564 19283 2917 1 16 . 1 1 30 30 GLY H H 30 9.267 9.267 8.511 0.756 19283 2918 1 16 . 1 1 31 31 LYS N N 31 115.357 115.357 119.707 -4.350 19283 2919 1 16 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.562 0.194 19283 2920 1 16 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.340 0.664 19283 2921 1 16 . 1 1 31 31 LYS H H 31 7.306 7.306 7.644 -0.338 19283 2922 1 16 . 1 1 32 32 ASP N N 32 125.726 125.726 120.122 5.604 19283 2923 1 16 . 1 1 32 32 ASP HA H 32 4.684 4.684 5.032 -0.348 19283 2924 1 16 . 1 1 32 32 ASP CA C 32 53.708 53.708 54.703 -0.995 19283 2925 1 16 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.974 -2.231 19283 2926 1 16 . 1 1 32 32 ASP H H 32 9.038 9.038 8.399 0.639 19283 2927 1 16 . 1 1 33 33 ASP N N 33 128.314 128.314 123.026 5.288 19283 2928 1 16 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.847 -0.218 19283 2929 1 16 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.366 0.256 19283 2930 1 16 . 1 1 33 33 ASP CB C 33 44.786 44.786 41.408 3.378 19283 2931 1 16 . 1 1 33 33 ASP H H 33 10.711 10.711 9.149 1.562 19283 2932 1 16 . 1 1 34 34 CYS N N 34 119.401 119.401 117.958 1.443 19283 2933 1 16 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.514 -0.145 19283 2934 1 16 . 1 1 34 34 CYS CA C 34 58.015 58.015 59.841 -1.826 19283 2935 1 16 . 1 1 34 34 CYS CB C 34 41.263 41.263 28.598 12.665 19283 2936 1 16 . 1 1 34 34 CYS H H 34 8.882 8.882 8.205 0.677 19283 2937 1 16 . 1 1 35 35 GLY N N 35 111.158 111.158 108.709 2.449 19283 2938 1 16 . 1 1 35 35 GLY CA C 35 45.053 45.053 46.058 -1.005 19283 2939 1 16 . 1 1 35 35 GLY H H 35 9.647 9.647 8.458 1.189 19283 2940 1 16 . 1 1 36 36 ASN N N 36 116.001 116.001 120.145 -4.144 19283 2941 1 16 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.787 0.097 19283 2942 1 16 . 1 1 36 36 ASN CA C 36 51.306 51.306 53.088 -1.782 19283 2943 1 16 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.213 -0.053 19283 2944 1 16 . 1 1 36 36 ASN H H 36 7.280 7.280 8.335 -1.055 19283 2945 1 16 . 1 1 37 37 GLY N N 37 110.006 110.006 105.636 4.370 19283 2946 1 16 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.440 0.242 19283 2947 1 16 . 1 1 37 37 GLY H H 37 9.215 9.215 8.432 0.783 19283 2948 1 16 . 1 1 38 38 ALA N N 38 122.734 122.734 121.655 1.079 19283 2949 1 16 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.517 -0.416 19283 2950 1 16 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.102 3.778 19283 2951 1 16 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.742 -0.604 19283 2952 1 16 . 1 1 38 38 ALA H H 38 7.953 7.953 8.315 -0.362 19283 2953 1 16 . 1 1 39 39 ASP N N 39 110.255 110.255 118.123 -7.868 19283 2954 1 16 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.758 -0.275 19283 2955 1 16 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.254 -1.786 19283 2956 1 16 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.235 -0.466 19283 2957 1 16 . 1 1 39 39 ASP H H 39 10.386 10.386 8.931 1.455 19283 2958 1 16 . 1 1 40 40 GLU N N 40 117.907 117.907 117.527 0.380 19283 2959 1 16 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.155 0.507 19283 2960 1 16 . 1 1 40 40 GLU CA C 40 54.354 54.354 57.740 -3.386 19283 2961 1 16 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.347 0.886 19283 2962 1 16 . 1 1 40 40 GLU H H 40 7.679 7.679 8.767 -1.088 19283 2963 1 16 . 1 1 41 41 GLU N N 41 120.082 120.082 118.748 1.334 19283 2964 1 16 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.319 0.023 19283 2965 1 16 . 1 1 41 41 GLU CA C 41 55.849 55.849 55.896 -0.047 19283 2966 1 16 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.141 1.391 19283 2967 1 16 . 1 1 41 41 GLU H H 41 6.964 6.964 7.500 -0.536 19283 2968 1 16 . 1 1 42 42 ASN N N 42 117.487 117.487 114.370 3.117 19283 2969 1 16 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.387 0.110 19283 2970 1 16 . 1 1 42 42 ASN CB C 42 37.147 37.147 36.853 0.293 19283 2971 1 16 . 1 1 42 42 ASN H H 42 9.008 9.008 8.847 0.161 19283 2972 1 16 . 1 1 43 43 CYS N N 43 117.347 117.347 114.242 3.105 19283 2973 1 16 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.581 0.021 19283 2974 1 16 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.823 -3.820 19283 2975 1 16 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.884 11.553 19283 2976 1 16 . 1 1 43 43 CYS H H 43 8.294 8.294 8.211 0.083 19283 2977 1 17 . 1 1 2 2 SER HA H 2 4.450 4.450 4.238 0.212 19283 2978 1 17 . 1 1 2 2 SER CA C 2 58.088 58.088 59.234 -1.146 19283 2979 1 17 . 1 1 2 2 SER CB C 2 64.021 64.021 63.512 0.509 19283 2980 1 17 . 1 1 3 3 MET N N 3 122.320 122.320 120.008 2.312 19283 2981 1 17 . 1 1 3 3 MET HA H 3 4.500 4.500 4.484 0.016 19283 2982 1 17 . 1 1 3 3 MET CA C 3 55.524 55.524 55.611 -0.087 19283 2983 1 17 . 1 1 3 3 MET H H 3 8.398 8.398 8.422 -0.024 19283 2984 1 17 . 1 1 4 4 ILE N N 4 122.503 122.503 119.819 2.684 19283 2985 1 17 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.307 -0.102 19283 2986 1 17 . 1 1 4 4 ILE CA C 4 60.941 60.941 61.633 -0.692 19283 2987 1 17 . 1 1 4 4 ILE CB C 4 38.817 38.817 38.011 0.806 19283 2988 1 17 . 1 1 4 4 ILE H H 4 8.162 8.162 7.980 0.182 19283 2989 1 17 . 1 1 5 5 THR N N 5 121.702 121.702 117.541 4.161 19283 2990 1 17 . 1 1 5 5 THR HA H 5 4.582 4.582 4.874 -0.292 19283 2991 1 17 . 1 1 5 5 THR CA C 5 59.724 59.724 59.499 0.225 19283 2992 1 17 . 1 1 5 5 THR CB C 5 69.776 69.776 69.498 0.278 19283 2993 1 17 . 1 1 5 5 THR H H 5 8.278 8.278 8.080 0.198 19283 2994 1 17 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.508 -0.093 19283 2995 1 17 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.859 0.373 19283 2996 1 17 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.668 -0.225 19283 2997 1 17 . 1 1 7 7 SER N N 7 116.292 116.292 113.914 2.378 19283 2998 1 17 . 1 1 7 7 SER HA H 7 4.467 4.467 4.505 -0.038 19283 2999 1 17 . 1 1 7 7 SER CA C 7 58.535 58.535 58.360 0.175 19283 3000 1 17 . 1 1 7 7 SER H H 7 8.337 8.337 8.583 -0.246 19283 3001 1 17 . 1 1 8 8 CYS N N 8 119.603 119.603 119.478 0.125 19283 3002 1 17 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.907 -0.116 19283 3003 1 17 . 1 1 8 8 CYS CA C 8 52.736 52.736 56.498 -3.762 19283 3004 1 17 . 1 1 8 8 CYS CB C 8 40.977 40.977 28.611 12.366 19283 3005 1 17 . 1 1 8 8 CYS H H 8 8.381 8.381 8.075 0.306 19283 3006 1 17 . 1 1 9 9 GLN N N 9 121.666 121.666 123.383 -1.717 19283 3007 1 17 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.495 -0.306 19283 3008 1 17 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.254 0.157 19283 3009 1 17 . 1 1 9 9 GLN CB C 9 29.646 29.646 30.970 -1.324 19283 3010 1 17 . 1 1 9 9 GLN H H 9 8.849 8.849 8.285 0.564 19283 3011 1 17 . 1 1 10 10 LYS N N 10 121.116 121.116 120.043 1.073 19283 3012 1 17 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.089 0.058 19283 3013 1 17 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.595 1.900 19283 3014 1 17 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.635 -0.392 19283 3015 1 17 . 1 1 10 10 LYS H H 10 8.404 8.404 9.010 -0.606 19283 3016 1 17 . 1 1 11 11 GLY N N 11 112.504 112.504 111.720 0.784 19283 3017 1 17 . 1 1 11 11 GLY CA C 11 45.286 45.286 45.699 -0.413 19283 3018 1 17 . 1 1 11 11 GLY H H 11 9.046 9.046 8.711 0.335 19283 3019 1 17 . 1 1 12 12 TYR N N 12 122.192 122.192 121.977 0.215 19283 3020 1 17 . 1 1 12 12 TYR HA H 12 5.310 5.310 5.384 -0.074 19283 3021 1 17 . 1 1 12 12 TYR CA C 12 56.384 56.384 57.530 -1.146 19283 3022 1 17 . 1 1 12 12 TYR CB C 12 41.083 41.083 40.373 0.710 19283 3023 1 17 . 1 1 12 12 TYR H H 12 8.449 8.449 7.711 0.738 19283 3024 1 17 . 1 1 13 13 PHE N N 13 119.921 119.921 117.077 2.844 19283 3025 1 17 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.058 0.156 19283 3026 1 17 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.508 0.070 19283 3027 1 17 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.574 0.610 19283 3028 1 17 . 1 1 13 13 PHE H H 13 9.541 9.541 8.571 0.970 19283 3029 1 17 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.599 0.465 19283 3030 1 17 . 1 1 14 14 PRO CA C 14 62.163 62.163 61.867 0.295 19283 3031 1 17 . 1 1 14 14 PRO CB C 14 32.885 32.885 31.594 1.291 19283 3032 1 17 . 1 1 15 15 CYS N N 15 119.902 119.902 124.875 -4.973 19283 3033 1 17 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.871 0.956 19283 3034 1 17 . 1 1 15 15 CYS CA C 15 55.136 55.136 59.011 -3.875 19283 3035 1 17 . 1 1 15 15 CYS CB C 15 38.087 38.087 25.029 13.058 19283 3036 1 17 . 1 1 15 15 CYS H H 15 8.183 8.183 8.228 -0.045 19283 3037 1 17 . 1 1 16 16 GLY N N 16 112.243 112.243 117.379 -5.136 19283 3038 1 17 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.200 -0.042 19283 3039 1 17 . 1 1 16 16 GLY H H 16 8.055 8.055 8.478 -0.423 19283 3040 1 17 . 1 1 17 17 ASN N N 17 123.356 123.356 121.616 1.740 19283 3041 1 17 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.897 -0.312 19283 3042 1 17 . 1 1 17 17 ASN CA C 17 53.554 53.554 52.686 0.868 19283 3043 1 17 . 1 1 17 17 ASN CB C 17 38.014 38.014 40.168 -2.154 19283 3044 1 17 . 1 1 17 17 ASN H H 17 8.674 8.674 8.346 0.328 19283 3045 1 17 . 1 1 18 18 LEU N N 18 119.935 119.935 121.511 -1.576 19283 3046 1 17 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.232 0.261 19283 3047 1 17 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.472 -1.136 19283 3048 1 17 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.667 0.388 19283 3049 1 17 . 1 1 18 18 LEU H H 18 7.693 7.693 7.809 -0.116 19283 3050 1 17 . 1 1 19 19 THR N N 19 113.712 113.712 113.724 -0.012 19283 3051 1 17 . 1 1 19 19 THR HA H 19 4.074 4.074 4.337 -0.263 19283 3052 1 17 . 1 1 19 19 THR CA C 19 61.657 61.657 61.912 -0.255 19283 3053 1 17 . 1 1 19 19 THR CB C 19 68.103 68.103 68.208 -0.105 19283 3054 1 17 . 1 1 19 19 THR H H 19 8.202 8.202 8.254 -0.052 19283 3055 1 17 . 1 1 20 20 LYS N N 20 123.274 123.274 121.746 1.528 19283 3056 1 17 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.352 -0.093 19283 3057 1 17 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.703 0.829 19283 3058 1 17 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.928 1.065 19283 3059 1 17 . 1 1 20 20 LYS H H 20 7.480 7.480 7.533 -0.053 19283 3060 1 17 . 1 1 21 21 CYS N N 21 123.003 123.003 123.096 -0.093 19283 3061 1 17 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.298 0.028 19283 3062 1 17 . 1 1 21 21 CYS CA C 21 54.861 54.861 57.991 -3.130 19283 3063 1 17 . 1 1 21 21 CYS CB C 21 45.734 45.734 27.578 18.156 19283 3064 1 17 . 1 1 21 21 CYS H H 21 8.489 8.489 8.645 -0.156 19283 3065 1 17 . 1 1 22 22 LEU N N 22 122.788 122.788 127.450 -4.662 19283 3066 1 17 . 1 1 22 22 LEU HA H 22 4.898 4.898 5.054 -0.156 19283 3067 1 17 . 1 1 22 22 LEU CA C 22 51.452 51.452 51.944 -0.492 19283 3068 1 17 . 1 1 22 22 LEU CB C 22 45.053 45.053 44.484 0.569 19283 3069 1 17 . 1 1 22 22 LEU H H 22 8.853 8.853 8.701 0.152 19283 3070 1 17 . 1 1 23 23 PRO HA H 23 3.599 3.599 3.070 0.529 19283 3071 1 17 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.826 0.823 19283 3072 1 17 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.300 -0.325 19283 3073 1 17 . 1 1 24 24 ARG N N 24 121.052 121.052 118.978 2.074 19283 3074 1 17 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.209 -0.162 19283 3075 1 17 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.651 1.067 19283 3076 1 17 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.253 0.736 19283 3077 1 17 . 1 1 24 24 ARG H H 24 8.029 8.029 8.390 -0.361 19283 3078 1 17 . 1 1 25 25 ALA N N 25 121.473 121.473 121.226 0.247 19283 3079 1 17 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.257 -0.150 19283 3080 1 17 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.588 1.228 19283 3081 1 17 . 1 1 25 25 ALA H H 25 8.513 8.513 8.261 0.252 19283 3082 1 17 . 1 1 26 26 PHE N N 26 112.036 112.036 114.740 -2.704 19283 3083 1 17 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.166 0.774 19283 3084 1 17 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.806 -1.415 19283 3085 1 17 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.297 -0.685 19283 3086 1 17 . 1 1 26 26 PHE H H 26 7.973 7.973 7.410 0.563 19283 3087 1 17 . 1 1 27 27 HIS N N 27 125.821 125.821 120.682 5.139 19283 3088 1 17 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.476 1.243 19283 3089 1 17 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.531 -0.102 19283 3090 1 17 . 1 1 27 27 HIS H H 27 8.535 8.535 7.125 1.410 19283 3091 1 17 . 1 1 28 28 CYS N N 28 125.400 125.400 124.886 0.514 19283 3092 1 17 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.042 0.641 19283 3093 1 17 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.796 -3.431 19283 3094 1 17 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.348 10.998 19283 3095 1 17 . 1 1 28 28 CYS H H 28 8.840 8.840 8.321 0.519 19283 3096 1 17 . 1 1 29 29 ASP N N 29 120.999 120.999 123.246 -2.247 19283 3097 1 17 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.605 0.201 19283 3098 1 17 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.251 -1.413 19283 3099 1 17 . 1 1 29 29 ASP CB C 29 41.416 41.416 41.679 -0.264 19283 3100 1 17 . 1 1 29 29 ASP H H 29 9.539 9.539 8.624 0.915 19283 3101 1 17 . 1 1 30 30 GLY N N 30 110.119 110.119 107.185 2.934 19283 3102 1 17 . 1 1 30 30 GLY CA C 30 45.588 45.588 45.066 0.522 19283 3103 1 17 . 1 1 30 30 GLY H H 30 9.267 9.267 8.563 0.704 19283 3104 1 17 . 1 1 31 31 LYS N N 31 115.357 115.357 120.157 -4.800 19283 3105 1 17 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.633 0.123 19283 3106 1 17 . 1 1 31 31 LYS CB C 31 35.004 35.004 35.542 -0.538 19283 3107 1 17 . 1 1 31 31 LYS H H 31 7.306 7.306 8.042 -0.736 19283 3108 1 17 . 1 1 32 32 ASP N N 32 125.726 125.726 119.560 6.166 19283 3109 1 17 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.662 0.022 19283 3110 1 17 . 1 1 32 32 ASP CA C 32 53.708 53.708 54.125 -0.417 19283 3111 1 17 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.305 -1.562 19283 3112 1 17 . 1 1 32 32 ASP H H 32 9.038 9.038 8.348 0.690 19283 3113 1 17 . 1 1 33 33 ASP N N 33 128.314 128.314 122.780 5.534 19283 3114 1 17 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.836 -0.207 19283 3115 1 17 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.196 0.426 19283 3116 1 17 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.223 2.563 19283 3117 1 17 . 1 1 33 33 ASP H H 33 10.711 10.711 8.373 2.338 19283 3118 1 17 . 1 1 34 34 CYS N N 34 119.401 119.401 118.107 1.294 19283 3119 1 17 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.134 0.235 19283 3120 1 17 . 1 1 34 34 CYS CA C 34 58.015 58.015 61.909 -3.894 19283 3121 1 17 . 1 1 34 34 CYS CB C 34 41.263 41.263 28.008 13.255 19283 3122 1 17 . 1 1 34 34 CYS H H 34 8.882 8.882 8.291 0.591 19283 3123 1 17 . 1 1 35 35 GLY N N 35 111.158 111.158 106.120 5.038 19283 3124 1 17 . 1 1 35 35 GLY CA C 35 45.053 45.053 46.174 -1.121 19283 3125 1 17 . 1 1 35 35 GLY H H 35 9.647 9.647 8.528 1.119 19283 3126 1 17 . 1 1 36 36 ASN N N 36 116.001 116.001 119.707 -3.706 19283 3127 1 17 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.761 0.123 19283 3128 1 17 . 1 1 36 36 ASN CA C 36 51.306 51.306 53.075 -1.769 19283 3129 1 17 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.832 -0.672 19283 3130 1 17 . 1 1 36 36 ASN H H 36 7.280 7.280 8.259 -0.979 19283 3131 1 17 . 1 1 37 37 GLY N N 37 110.006 110.006 107.208 2.798 19283 3132 1 17 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.279 0.403 19283 3133 1 17 . 1 1 37 37 GLY H H 37 9.215 9.215 8.214 1.001 19283 3134 1 17 . 1 1 38 38 ALA N N 38 122.734 122.734 121.832 0.902 19283 3135 1 17 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.611 -0.510 19283 3136 1 17 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.653 3.227 19283 3137 1 17 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.948 -0.810 19283 3138 1 17 . 1 1 38 38 ALA H H 38 7.953 7.953 8.405 -0.452 19283 3139 1 17 . 1 1 39 39 ASP N N 39 110.255 110.255 119.014 -8.759 19283 3140 1 17 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.887 -0.404 19283 3141 1 17 . 1 1 39 39 ASP CA C 39 54.468 54.468 55.852 -1.384 19283 3142 1 17 . 1 1 39 39 ASP CB C 39 39.769 39.769 41.142 -1.373 19283 3143 1 17 . 1 1 39 39 ASP H H 39 10.386 10.386 8.838 1.548 19283 3144 1 17 . 1 1 40 40 GLU N N 40 117.907 117.907 118.468 -0.561 19283 3145 1 17 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.159 0.503 19283 3146 1 17 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.562 -4.208 19283 3147 1 17 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.557 0.676 19283 3148 1 17 . 1 1 40 40 GLU H H 40 7.679 7.679 8.718 -1.039 19283 3149 1 17 . 1 1 41 41 GLU N N 41 120.082 120.082 118.406 1.676 19283 3150 1 17 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.233 0.109 19283 3151 1 17 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.739 -0.889 19283 3152 1 17 . 1 1 41 41 GLU CB C 41 31.532 31.532 29.994 1.538 19283 3153 1 17 . 1 1 41 41 GLU H H 41 6.964 6.964 7.769 -0.805 19283 3154 1 17 . 1 1 42 42 ASN N N 42 117.487 117.487 115.883 1.604 19283 3155 1 17 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.383 0.114 19283 3156 1 17 . 1 1 42 42 ASN CB C 42 37.147 37.147 38.208 -1.061 19283 3157 1 17 . 1 1 42 42 ASN H H 42 9.008 9.008 8.777 0.231 19283 3158 1 17 . 1 1 43 43 CYS N N 43 117.347 117.347 115.298 2.049 19283 3159 1 17 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.590 0.012 19283 3160 1 17 . 1 1 43 43 CYS CA C 43 55.003 55.003 57.839 -2.836 19283 3161 1 17 . 1 1 43 43 CYS CB C 43 39.436 39.436 26.781 12.655 19283 3162 1 17 . 1 1 43 43 CYS H H 43 8.294 8.294 8.194 0.100 19283 3163 1 18 . 1 1 2 2 SER HA H 2 4.450 4.450 4.730 -0.280 19283 3164 1 18 . 1 1 2 2 SER CA C 2 58.088 58.088 58.705 -0.617 19283 3165 1 18 . 1 1 2 2 SER CB C 2 64.021 64.021 63.970 0.051 19283 3166 1 18 . 1 1 3 3 MET N N 3 122.320 122.320 121.067 1.253 19283 3167 1 18 . 1 1 3 3 MET HA H 3 4.500 4.500 4.838 -0.338 19283 3168 1 18 . 1 1 3 3 MET CA C 3 55.524 55.524 55.260 0.264 19283 3169 1 18 . 1 1 3 3 MET H H 3 8.398 8.398 7.867 0.531 19283 3170 1 18 . 1 1 4 4 ILE N N 4 122.503 122.503 123.517 -1.014 19283 3171 1 18 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.623 -0.418 19283 3172 1 18 . 1 1 4 4 ILE CA C 4 60.941 60.941 61.318 -0.377 19283 3173 1 18 . 1 1 4 4 ILE CB C 4 38.817 38.817 40.181 -1.364 19283 3174 1 18 . 1 1 4 4 ILE H H 4 8.162 8.162 8.300 -0.138 19283 3175 1 18 . 1 1 5 5 THR N N 5 121.702 121.702 120.552 1.150 19283 3176 1 18 . 1 1 5 5 THR HA H 5 4.582 4.582 4.836 -0.254 19283 3177 1 18 . 1 1 5 5 THR CA C 5 59.724 59.724 60.243 -0.519 19283 3178 1 18 . 1 1 5 5 THR CB C 5 69.776 69.776 68.998 0.778 19283 3179 1 18 . 1 1 5 5 THR H H 5 8.278 8.278 8.128 0.150 19283 3180 1 18 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.571 -0.156 19283 3181 1 18 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.915 0.317 19283 3182 1 18 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.712 -0.268 19283 3183 1 18 . 1 1 7 7 SER N N 7 116.292 116.292 115.270 1.022 19283 3184 1 18 . 1 1 7 7 SER HA H 7 4.467 4.467 4.511 -0.044 19283 3185 1 18 . 1 1 7 7 SER CA C 7 58.535 58.535 58.229 0.306 19283 3186 1 18 . 1 1 7 7 SER H H 7 8.337 8.337 8.691 -0.354 19283 3187 1 18 . 1 1 8 8 CYS N N 8 119.603 119.603 120.192 -0.589 19283 3188 1 18 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.657 0.134 19283 3189 1 18 . 1 1 8 8 CYS CA C 8 52.736 52.736 57.214 -4.478 19283 3190 1 18 . 1 1 8 8 CYS CB C 8 40.977 40.977 29.325 11.652 19283 3191 1 18 . 1 1 8 8 CYS H H 8 8.381 8.381 8.018 0.363 19283 3192 1 18 . 1 1 9 9 GLN N N 9 121.666 121.666 122.242 -0.576 19283 3193 1 18 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.289 -0.100 19283 3194 1 18 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.985 -0.574 19283 3195 1 18 . 1 1 9 9 GLN CB C 9 29.646 29.646 29.389 0.257 19283 3196 1 18 . 1 1 9 9 GLN H H 9 8.849 8.849 8.488 0.361 19283 3197 1 18 . 1 1 10 10 LYS N N 10 121.116 121.116 116.529 4.587 19283 3198 1 18 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.119 0.028 19283 3199 1 18 . 1 1 10 10 LYS CA C 10 58.495 58.495 57.244 1.251 19283 3200 1 18 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.411 -0.168 19283 3201 1 18 . 1 1 10 10 LYS H H 10 8.404 8.404 8.625 -0.221 19283 3202 1 18 . 1 1 11 11 GLY N N 11 112.504 112.504 108.886 3.618 19283 3203 1 18 . 1 1 11 11 GLY CA C 11 45.286 45.286 44.887 0.399 19283 3204 1 18 . 1 1 11 11 GLY H H 11 9.046 9.046 8.731 0.315 19283 3205 1 18 . 1 1 12 12 TYR N N 12 122.192 122.192 119.268 2.924 19283 3206 1 18 . 1 1 12 12 TYR HA H 12 5.310 5.310 5.271 0.039 19283 3207 1 18 . 1 1 12 12 TYR CA C 12 56.384 56.384 57.482 -1.098 19283 3208 1 18 . 1 1 12 12 TYR CB C 12 41.083 41.083 41.260 -0.177 19283 3209 1 18 . 1 1 12 12 TYR H H 12 8.449 8.449 7.934 0.515 19283 3210 1 18 . 1 1 13 13 PHE N N 13 119.921 119.921 118.812 1.109 19283 3211 1 18 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.073 0.141 19283 3212 1 18 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.228 0.350 19283 3213 1 18 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.602 0.582 19283 3214 1 18 . 1 1 13 13 PHE H H 13 9.541 9.541 8.587 0.954 19283 3215 1 18 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.395 0.669 19283 3216 1 18 . 1 1 14 14 PRO CA C 14 62.163 62.163 61.911 0.251 19283 3217 1 18 . 1 1 14 14 PRO CB C 14 32.885 32.885 31.935 0.950 19283 3218 1 18 . 1 1 15 15 CYS N N 15 119.902 119.902 123.961 -4.059 19283 3219 1 18 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.899 0.928 19283 3220 1 18 . 1 1 15 15 CYS CA C 15 55.136 55.136 58.972 -3.836 19283 3221 1 18 . 1 1 15 15 CYS CB C 15 38.087 38.087 24.269 13.818 19283 3222 1 18 . 1 1 15 15 CYS H H 15 8.183 8.183 8.323 -0.140 19283 3223 1 18 . 1 1 16 16 GLY N N 16 112.243 112.243 113.246 -1.003 19283 3224 1 18 . 1 1 16 16 GLY CA C 16 47.158 47.158 46.750 0.408 19283 3225 1 18 . 1 1 16 16 GLY H H 16 8.055 8.055 8.457 -0.402 19283 3226 1 18 . 1 1 17 17 ASN N N 17 123.356 123.356 121.021 2.335 19283 3227 1 18 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.804 -0.219 19283 3228 1 18 . 1 1 17 17 ASN CA C 17 53.554 53.554 53.075 0.478 19283 3229 1 18 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.721 -1.707 19283 3230 1 18 . 1 1 17 17 ASN H H 17 8.674 8.674 8.391 0.283 19283 3231 1 18 . 1 1 18 18 LEU N N 18 119.935 119.935 121.239 -1.304 19283 3232 1 18 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.329 0.164 19283 3233 1 18 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.653 -1.317 19283 3234 1 18 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.589 0.466 19283 3235 1 18 . 1 1 18 18 LEU H H 18 7.693 7.693 7.574 0.119 19283 3236 1 18 . 1 1 19 19 THR N N 19 113.712 113.712 113.268 0.444 19283 3237 1 18 . 1 1 19 19 THR HA H 19 4.074 4.074 4.317 -0.243 19283 3238 1 18 . 1 1 19 19 THR CA C 19 61.657 61.657 61.330 0.327 19283 3239 1 18 . 1 1 19 19 THR CB C 19 68.103 68.103 68.539 -0.436 19283 3240 1 18 . 1 1 19 19 THR H H 19 8.202 8.202 8.098 0.104 19283 3241 1 18 . 1 1 20 20 LYS N N 20 123.274 123.274 122.402 0.872 19283 3242 1 18 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.338 -0.079 19283 3243 1 18 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.768 0.764 19283 3244 1 18 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.398 1.595 19283 3245 1 18 . 1 1 20 20 LYS H H 20 7.480 7.480 7.572 -0.092 19283 3246 1 18 . 1 1 21 21 CYS N N 21 123.003 123.003 123.660 -0.657 19283 3247 1 18 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.112 0.214 19283 3248 1 18 . 1 1 21 21 CYS CA C 21 54.861 54.861 58.164 -3.303 19283 3249 1 18 . 1 1 21 21 CYS CB C 21 45.734 45.734 27.345 18.389 19283 3250 1 18 . 1 1 21 21 CYS H H 21 8.489 8.489 8.685 -0.196 19283 3251 1 18 . 1 1 22 22 LEU N N 22 122.788 122.788 127.144 -4.356 19283 3252 1 18 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.958 -0.060 19283 3253 1 18 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.050 -0.598 19283 3254 1 18 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.796 1.257 19283 3255 1 18 . 1 1 22 22 LEU H H 22 8.853 8.853 8.558 0.295 19283 3256 1 18 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.758 0.841 19283 3257 1 18 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.724 0.925 19283 3258 1 18 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.407 -0.433 19283 3259 1 18 . 1 1 24 24 ARG N N 24 121.052 121.052 119.106 1.946 19283 3260 1 18 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.280 -0.233 19283 3261 1 18 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.544 1.174 19283 3262 1 18 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.300 0.689 19283 3263 1 18 . 1 1 24 24 ARG H H 24 8.029 8.029 8.404 -0.375 19283 3264 1 18 . 1 1 25 25 ALA N N 25 121.473 121.473 121.112 0.361 19283 3265 1 18 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.274 -0.167 19283 3266 1 18 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.541 1.275 19283 3267 1 18 . 1 1 25 25 ALA H H 25 8.513 8.513 8.216 0.297 19283 3268 1 18 . 1 1 26 26 PHE N N 26 112.036 112.036 114.175 -2.139 19283 3269 1 18 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.344 0.596 19283 3270 1 18 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.729 -1.338 19283 3271 1 18 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.489 -0.877 19283 3272 1 18 . 1 1 26 26 PHE H H 26 7.973 7.973 7.400 0.573 19283 3273 1 18 . 1 1 27 27 HIS N N 27 125.821 125.821 121.191 4.630 19283 3274 1 18 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.495 1.224 19283 3275 1 18 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.626 -0.197 19283 3276 1 18 . 1 1 27 27 HIS H H 27 8.535 8.535 7.282 1.253 19283 3277 1 18 . 1 1 28 28 CYS N N 28 125.400 125.400 124.441 0.959 19283 3278 1 18 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.032 0.651 19283 3279 1 18 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.755 -3.390 19283 3280 1 18 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.398 10.948 19283 3281 1 18 . 1 1 28 28 CYS H H 28 8.840 8.840 8.317 0.523 19283 3282 1 18 . 1 1 29 29 ASP N N 29 120.999 120.999 122.718 -1.719 19283 3283 1 18 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.614 0.192 19283 3284 1 18 . 1 1 29 29 ASP CA C 29 52.838 52.838 53.898 -1.060 19283 3285 1 18 . 1 1 29 29 ASP CB C 29 41.416 41.416 41.340 0.076 19283 3286 1 18 . 1 1 29 29 ASP H H 29 9.539 9.539 8.628 0.911 19283 3287 1 18 . 1 1 30 30 GLY N N 30 110.119 110.119 107.807 2.312 19283 3288 1 18 . 1 1 30 30 GLY CA C 30 45.588 45.588 44.916 0.673 19283 3289 1 18 . 1 1 30 30 GLY H H 30 9.267 9.267 8.286 0.981 19283 3290 1 18 . 1 1 31 31 LYS N N 31 115.357 115.357 117.873 -2.516 19283 3291 1 18 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.461 0.295 19283 3292 1 18 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.492 0.512 19283 3293 1 18 . 1 1 31 31 LYS H H 31 7.306 7.306 7.965 -0.659 19283 3294 1 18 . 1 1 32 32 ASP N N 32 125.726 125.726 122.745 2.981 19283 3295 1 18 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.853 -0.169 19283 3296 1 18 . 1 1 32 32 ASP CA C 32 53.708 53.708 54.322 -0.614 19283 3297 1 18 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.212 -1.469 19283 3298 1 18 . 1 1 32 32 ASP H H 32 9.038 9.038 8.520 0.518 19283 3299 1 18 . 1 1 33 33 ASP N N 33 128.314 128.314 122.970 5.344 19283 3300 1 18 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.871 -0.242 19283 3301 1 18 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.422 0.200 19283 3302 1 18 . 1 1 33 33 ASP CB C 33 44.786 44.786 41.259 3.527 19283 3303 1 18 . 1 1 33 33 ASP H H 33 10.711 10.711 8.973 1.738 19283 3304 1 18 . 1 1 34 34 CYS N N 34 119.401 119.401 117.404 1.997 19283 3305 1 18 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.645 -0.276 19283 3306 1 18 . 1 1 34 34 CYS CA C 34 58.015 58.015 59.475 -1.460 19283 3307 1 18 . 1 1 34 34 CYS CB C 34 41.263 41.263 29.209 12.054 19283 3308 1 18 . 1 1 34 34 CYS H H 34 8.882 8.882 8.239 0.643 19283 3309 1 18 . 1 1 35 35 GLY N N 35 111.158 111.158 107.712 3.446 19283 3310 1 18 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.880 -0.827 19283 3311 1 18 . 1 1 35 35 GLY H H 35 9.647 9.647 8.709 0.938 19283 3312 1 18 . 1 1 36 36 ASN N N 36 116.001 116.001 119.788 -3.787 19283 3313 1 18 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.752 0.132 19283 3314 1 18 . 1 1 36 36 ASN CA C 36 51.306 51.306 52.779 -1.473 19283 3315 1 18 . 1 1 36 36 ASN CB C 36 39.160 39.160 38.473 0.687 19283 3316 1 18 . 1 1 36 36 ASN H H 36 7.280 7.280 8.367 -1.087 19283 3317 1 18 . 1 1 37 37 GLY N N 37 110.006 110.006 106.208 3.798 19283 3318 1 18 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.036 0.646 19283 3319 1 18 . 1 1 37 37 GLY H H 37 9.215 9.215 8.134 1.081 19283 3320 1 18 . 1 1 38 38 ALA N N 38 122.734 122.734 122.828 -0.094 19283 3321 1 18 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.562 -0.461 19283 3322 1 18 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.900 2.980 19283 3323 1 18 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.894 -0.756 19283 3324 1 18 . 1 1 38 38 ALA H H 38 7.953 7.953 7.981 -0.028 19283 3325 1 18 . 1 1 39 39 ASP N N 39 110.255 110.255 118.900 -8.645 19283 3326 1 18 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.868 -0.385 19283 3327 1 18 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.084 -1.616 19283 3328 1 18 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.785 -1.016 19283 3329 1 18 . 1 1 39 39 ASP H H 39 10.386 10.386 8.817 1.569 19283 3330 1 18 . 1 1 40 40 GLU N N 40 117.907 117.907 118.231 -0.324 19283 3331 1 18 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.160 0.502 19283 3332 1 18 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.177 -3.823 19283 3333 1 18 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.539 0.694 19283 3334 1 18 . 1 1 40 40 GLU H H 40 7.679 7.679 8.758 -1.079 19283 3335 1 18 . 1 1 41 41 GLU N N 41 120.082 120.082 117.870 2.212 19283 3336 1 18 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.301 0.041 19283 3337 1 18 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.232 -0.383 19283 3338 1 18 . 1 1 41 41 GLU CB C 41 31.532 31.532 29.983 1.549 19283 3339 1 18 . 1 1 41 41 GLU H H 41 6.964 6.964 7.716 -0.752 19283 3340 1 18 . 1 1 42 42 ASN N N 42 117.487 117.487 115.960 1.527 19283 3341 1 18 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.453 0.044 19283 3342 1 18 . 1 1 42 42 ASN CB C 42 37.147 37.147 37.816 -0.669 19283 3343 1 18 . 1 1 42 42 ASN H H 42 9.008 9.008 8.885 0.123 19283 3344 1 18 . 1 1 43 43 CYS N N 43 117.347 117.347 116.812 0.535 19283 3345 1 18 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.744 -0.142 19283 3346 1 18 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.974 -3.971 19283 3347 1 18 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.537 11.899 19283 3348 1 18 . 1 1 43 43 CYS H H 43 8.294 8.294 8.356 -0.062 19283 3349 1 19 . 1 1 2 2 SER HA H 2 4.450 4.450 4.227 0.223 19283 3350 1 19 . 1 1 2 2 SER CA C 2 58.088 58.088 58.586 -0.498 19283 3351 1 19 . 1 1 2 2 SER CB C 2 64.021 64.021 62.819 1.202 19283 3352 1 19 . 1 1 3 3 MET N N 3 122.320 122.320 119.665 2.655 19283 3353 1 19 . 1 1 3 3 MET HA H 3 4.500 4.500 4.370 0.130 19283 3354 1 19 . 1 1 3 3 MET CA C 3 55.524 55.524 56.578 -1.054 19283 3355 1 19 . 1 1 3 3 MET H H 3 8.398 8.398 8.050 0.348 19283 3356 1 19 . 1 1 4 4 ILE N N 4 122.503 122.503 114.962 7.541 19283 3357 1 19 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.438 -0.233 19283 3358 1 19 . 1 1 4 4 ILE CA C 4 60.941 60.941 60.248 0.694 19283 3359 1 19 . 1 1 4 4 ILE CB C 4 38.817 38.817 39.592 -0.775 19283 3360 1 19 . 1 1 4 4 ILE H H 4 8.162 8.162 7.488 0.674 19283 3361 1 19 . 1 1 5 5 THR N N 5 121.702 121.702 117.405 4.297 19283 3362 1 19 . 1 1 5 5 THR HA H 5 4.582 4.582 4.667 -0.085 19283 3363 1 19 . 1 1 5 5 THR CA C 5 59.724 59.724 59.748 -0.024 19283 3364 1 19 . 1 1 5 5 THR CB C 5 69.776 69.776 69.112 0.664 19283 3365 1 19 . 1 1 5 5 THR H H 5 8.278 8.278 8.252 0.026 19283 3366 1 19 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.544 -0.129 19283 3367 1 19 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.816 0.416 19283 3368 1 19 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.574 -0.131 19283 3369 1 19 . 1 1 7 7 SER N N 7 116.292 116.292 117.172 -0.880 19283 3370 1 19 . 1 1 7 7 SER HA H 7 4.467 4.467 4.505 -0.038 19283 3371 1 19 . 1 1 7 7 SER CA C 7 58.535 58.535 58.440 0.095 19283 3372 1 19 . 1 1 7 7 SER H H 7 8.337 8.337 8.771 -0.434 19283 3373 1 19 . 1 1 8 8 CYS N N 8 119.603 119.603 119.355 0.248 19283 3374 1 19 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.678 0.113 19283 3375 1 19 . 1 1 8 8 CYS CA C 8 52.736 52.736 57.860 -5.124 19283 3376 1 19 . 1 1 8 8 CYS CB C 8 40.977 40.977 30.003 10.974 19283 3377 1 19 . 1 1 8 8 CYS H H 8 8.381 8.381 7.996 0.385 19283 3378 1 19 . 1 1 9 9 GLN N N 9 121.666 121.666 121.469 0.197 19283 3379 1 19 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.460 -0.271 19283 3380 1 19 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.161 0.250 19283 3381 1 19 . 1 1 9 9 GLN CB C 9 29.646 29.646 30.034 -0.388 19283 3382 1 19 . 1 1 9 9 GLN H H 9 8.849 8.849 8.594 0.255 19283 3383 1 19 . 1 1 10 10 LYS N N 10 121.116 121.116 117.400 3.716 19283 3384 1 19 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.087 0.060 19283 3385 1 19 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.671 1.824 19283 3386 1 19 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.088 0.155 19283 3387 1 19 . 1 1 10 10 LYS H H 10 8.404 8.404 8.562 -0.158 19283 3388 1 19 . 1 1 11 11 GLY N N 11 112.504 112.504 109.091 3.413 19283 3389 1 19 . 1 1 11 11 GLY CA C 11 45.286 45.286 44.850 0.436 19283 3390 1 19 . 1 1 11 11 GLY H H 11 9.046 9.046 8.700 0.346 19283 3391 1 19 . 1 1 12 12 TYR N N 12 122.192 122.192 119.021 3.171 19283 3392 1 19 . 1 1 12 12 TYR HA H 12 5.310 5.310 5.354 -0.044 19283 3393 1 19 . 1 1 12 12 TYR CA C 12 56.384 56.384 57.165 -0.781 19283 3394 1 19 . 1 1 12 12 TYR CB C 12 41.083 41.083 41.925 -0.842 19283 3395 1 19 . 1 1 12 12 TYR H H 12 8.449 8.449 7.788 0.661 19283 3396 1 19 . 1 1 13 13 PHE N N 13 119.921 119.921 118.398 1.523 19283 3397 1 19 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.052 0.162 19283 3398 1 19 . 1 1 13 13 PHE CA C 13 54.578 54.578 53.991 0.587 19283 3399 1 19 . 1 1 13 13 PHE CB C 13 41.184 41.184 41.031 0.153 19283 3400 1 19 . 1 1 13 13 PHE H H 13 9.541 9.541 8.629 0.912 19283 3401 1 19 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.429 0.635 19283 3402 1 19 . 1 1 14 14 PRO CA C 14 62.163 62.163 62.109 0.054 19283 3403 1 19 . 1 1 14 14 PRO CB C 14 32.885 32.885 31.894 0.991 19283 3404 1 19 . 1 1 15 15 CYS N N 15 119.902 119.902 121.643 -1.741 19283 3405 1 19 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.859 0.968 19283 3406 1 19 . 1 1 15 15 CYS CA C 15 55.136 55.136 60.122 -4.986 19283 3407 1 19 . 1 1 15 15 CYS CB C 15 38.087 38.087 28.302 9.785 19283 3408 1 19 . 1 1 15 15 CYS H H 15 8.183 8.183 8.116 0.067 19283 3409 1 19 . 1 1 16 16 GLY N N 16 112.243 112.243 109.737 2.506 19283 3410 1 19 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.138 0.020 19283 3411 1 19 . 1 1 16 16 GLY H H 16 8.055 8.055 8.777 -0.722 19283 3412 1 19 . 1 1 17 17 ASN N N 17 123.356 123.356 116.119 7.237 19283 3413 1 19 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.669 -0.084 19283 3414 1 19 . 1 1 17 17 ASN CA C 17 53.554 53.554 53.153 0.401 19283 3415 1 19 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.198 -1.184 19283 3416 1 19 . 1 1 17 17 ASN H H 17 8.674 8.674 8.401 0.273 19283 3417 1 19 . 1 1 18 18 LEU N N 18 119.935 119.935 121.469 -1.534 19283 3418 1 19 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.441 0.052 19283 3419 1 19 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.904 -1.568 19283 3420 1 19 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.630 0.425 19283 3421 1 19 . 1 1 18 18 LEU H H 18 7.693 7.693 7.503 0.190 19283 3422 1 19 . 1 1 19 19 THR N N 19 113.712 113.712 112.418 1.294 19283 3423 1 19 . 1 1 19 19 THR HA H 19 4.074 4.074 4.340 -0.266 19283 3424 1 19 . 1 1 19 19 THR CA C 19 61.657 61.657 61.394 0.264 19283 3425 1 19 . 1 1 19 19 THR CB C 19 68.103 68.103 68.566 -0.463 19283 3426 1 19 . 1 1 19 19 THR H H 19 8.202 8.202 8.157 0.045 19283 3427 1 19 . 1 1 20 20 LYS N N 20 123.274 123.274 122.499 0.775 19283 3428 1 19 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.305 -0.046 19283 3429 1 19 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.840 0.692 19283 3430 1 19 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.223 1.770 19283 3431 1 19 . 1 1 20 20 LYS H H 20 7.480 7.480 7.727 -0.247 19283 3432 1 19 . 1 1 21 21 CYS N N 21 123.003 123.003 124.233 -1.230 19283 3433 1 19 . 1 1 21 21 CYS HA H 21 5.326 5.326 4.934 0.392 19283 3434 1 19 . 1 1 21 21 CYS CA C 21 54.861 54.861 58.447 -3.586 19283 3435 1 19 . 1 1 21 21 CYS CB C 21 45.734 45.734 26.961 18.773 19283 3436 1 19 . 1 1 21 21 CYS H H 21 8.489 8.489 8.742 -0.253 19283 3437 1 19 . 1 1 22 22 LEU N N 22 122.788 122.788 128.663 -5.875 19283 3438 1 19 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.859 0.039 19283 3439 1 19 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.508 -1.056 19283 3440 1 19 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.519 1.534 19283 3441 1 19 . 1 1 22 22 LEU H H 22 8.853 8.853 8.652 0.201 19283 3442 1 19 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.724 0.875 19283 3443 1 19 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.738 0.911 19283 3444 1 19 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.376 -0.402 19283 3445 1 19 . 1 1 24 24 ARG N N 24 121.052 121.052 118.689 2.363 19283 3446 1 19 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.278 -0.231 19283 3447 1 19 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.599 1.119 19283 3448 1 19 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.185 0.804 19283 3449 1 19 . 1 1 24 24 ARG H H 24 8.029 8.029 8.422 -0.393 19283 3450 1 19 . 1 1 25 25 ALA N N 25 121.473 121.473 121.128 0.345 19283 3451 1 19 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.267 -0.160 19283 3452 1 19 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.599 1.217 19283 3453 1 19 . 1 1 25 25 ALA H H 25 8.513 8.513 8.273 0.240 19283 3454 1 19 . 1 1 26 26 PHE N N 26 112.036 112.036 114.289 -2.253 19283 3455 1 19 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.170 0.770 19283 3456 1 19 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.446 -1.055 19283 3457 1 19 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.437 -0.825 19283 3458 1 19 . 1 1 26 26 PHE H H 26 7.973 7.973 7.457 0.516 19283 3459 1 19 . 1 1 27 27 HIS N N 27 125.821 125.821 120.641 5.180 19283 3460 1 19 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.520 1.199 19283 3461 1 19 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.082 0.346 19283 3462 1 19 . 1 1 27 27 HIS H H 27 8.535 8.535 7.206 1.329 19283 3463 1 19 . 1 1 28 28 CYS N N 28 125.400 125.400 125.171 0.229 19283 3464 1 19 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.043 0.640 19283 3465 1 19 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.946 -3.581 19283 3466 1 19 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.348 10.998 19283 3467 1 19 . 1 1 28 28 CYS H H 28 8.840 8.840 8.198 0.642 19283 3468 1 19 . 1 1 29 29 ASP N N 29 120.999 120.999 124.504 -3.505 19283 3469 1 19 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.589 0.217 19283 3470 1 19 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.430 -1.592 19283 3471 1 19 . 1 1 29 29 ASP CB C 29 41.416 41.416 42.572 -1.156 19283 3472 1 19 . 1 1 29 29 ASP H H 29 9.539 9.539 8.531 1.008 19283 3473 1 19 . 1 1 30 30 GLY N N 30 110.119 110.119 107.741 2.378 19283 3474 1 19 . 1 1 30 30 GLY CA C 30 45.588 45.588 45.291 0.297 19283 3475 1 19 . 1 1 30 30 GLY H H 30 9.267 9.267 8.577 0.690 19283 3476 1 19 . 1 1 31 31 LYS N N 31 115.357 115.357 118.979 -3.622 19283 3477 1 19 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.669 0.087 19283 3478 1 19 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.857 0.147 19283 3479 1 19 . 1 1 31 31 LYS H H 31 7.306 7.306 7.882 -0.576 19283 3480 1 19 . 1 1 32 32 ASP N N 32 125.726 125.726 119.835 5.891 19283 3481 1 19 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.595 0.089 19283 3482 1 19 . 1 1 32 32 ASP CA C 32 53.708 53.708 55.275 -1.567 19283 3483 1 19 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.079 -1.336 19283 3484 1 19 . 1 1 32 32 ASP H H 32 9.038 9.038 8.400 0.638 19283 3485 1 19 . 1 1 33 33 ASP N N 33 128.314 128.314 121.622 6.692 19283 3486 1 19 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.776 -0.147 19283 3487 1 19 . 1 1 33 33 ASP CA C 33 55.622 55.622 56.129 -0.507 19283 3488 1 19 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.433 2.353 19283 3489 1 19 . 1 1 33 33 ASP H H 33 10.711 10.711 8.682 2.029 19283 3490 1 19 . 1 1 34 34 CYS N N 34 119.401 119.401 117.391 2.010 19283 3491 1 19 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.666 -0.297 19283 3492 1 19 . 1 1 34 34 CYS CA C 34 58.015 58.015 59.747 -1.732 19283 3493 1 19 . 1 1 34 34 CYS CB C 34 41.263 41.263 28.962 12.301 19283 3494 1 19 . 1 1 34 34 CYS H H 34 8.882 8.882 8.578 0.304 19283 3495 1 19 . 1 1 35 35 GLY N N 35 111.158 111.158 106.533 4.625 19283 3496 1 19 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.539 -0.486 19283 3497 1 19 . 1 1 35 35 GLY H H 35 9.647 9.647 8.505 1.142 19283 3498 1 19 . 1 1 36 36 ASN N N 36 116.001 116.001 119.410 -3.409 19283 3499 1 19 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.805 0.079 19283 3500 1 19 . 1 1 36 36 ASN CA C 36 51.306 51.306 52.320 -1.014 19283 3501 1 19 . 1 1 36 36 ASN CB C 36 39.160 39.160 38.505 0.655 19283 3502 1 19 . 1 1 36 36 ASN H H 36 7.280 7.280 8.424 -1.144 19283 3503 1 19 . 1 1 37 37 GLY N N 37 110.006 110.006 108.407 1.599 19283 3504 1 19 . 1 1 37 37 GLY CA C 37 45.682 45.682 46.063 -0.382 19283 3505 1 19 . 1 1 37 37 GLY H H 37 9.215 9.215 8.281 0.934 19283 3506 1 19 . 1 1 38 38 ALA N N 38 122.734 122.734 121.499 1.235 19283 3507 1 19 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.194 -0.093 19283 3508 1 19 . 1 1 38 38 ALA CA C 38 55.880 55.880 53.332 2.548 19283 3509 1 19 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.551 -0.413 19283 3510 1 19 . 1 1 38 38 ALA H H 38 7.953 7.953 8.075 -0.122 19283 3511 1 19 . 1 1 39 39 ASP N N 39 110.255 110.255 119.374 -9.119 19283 3512 1 19 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.718 -0.235 19283 3513 1 19 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.910 -2.442 19283 3514 1 19 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.279 -0.510 19283 3515 1 19 . 1 1 39 39 ASP H H 39 10.386 10.386 8.925 1.461 19283 3516 1 19 . 1 1 40 40 GLU N N 40 117.907 117.907 118.736 -0.829 19283 3517 1 19 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.071 0.591 19283 3518 1 19 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.664 -4.310 19283 3519 1 19 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.468 0.765 19283 3520 1 19 . 1 1 40 40 GLU H H 40 7.679 7.679 8.567 -0.888 19283 3521 1 19 . 1 1 41 41 GLU N N 41 120.082 120.082 119.143 0.939 19283 3522 1 19 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.122 0.220 19283 3523 1 19 . 1 1 41 41 GLU CA C 41 55.849 55.849 57.375 -1.526 19283 3524 1 19 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.148 1.384 19283 3525 1 19 . 1 1 41 41 GLU H H 41 6.964 6.964 7.977 -1.013 19283 3526 1 19 . 1 1 42 42 ASN N N 42 117.487 117.487 114.434 3.053 19283 3527 1 19 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.457 0.040 19283 3528 1 19 . 1 1 42 42 ASN CB C 42 37.147 37.147 37.344 -0.197 19283 3529 1 19 . 1 1 42 42 ASN H H 42 9.008 9.008 8.807 0.201 19283 3530 1 19 . 1 1 43 43 CYS N N 43 117.347 117.347 117.588 -0.241 19283 3531 1 19 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.516 0.086 19283 3532 1 19 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.158 -3.155 19283 3533 1 19 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.105 12.331 19283 3534 1 19 . 1 1 43 43 CYS H H 43 8.294 8.294 7.981 0.313 19283 3535 1 20 . 1 1 2 2 SER HA H 2 4.450 4.450 4.734 -0.284 19283 3536 1 20 . 1 1 2 2 SER CA C 2 58.088 58.088 58.848 -0.760 19283 3537 1 20 . 1 1 2 2 SER CB C 2 64.021 64.021 63.900 0.121 19283 3538 1 20 . 1 1 3 3 MET N N 3 122.320 122.320 123.407 -1.087 19283 3539 1 20 . 1 1 3 3 MET HA H 3 4.500 4.500 4.676 -0.176 19283 3540 1 20 . 1 1 3 3 MET CA C 3 55.524 55.524 55.876 -0.352 19283 3541 1 20 . 1 1 3 3 MET H H 3 8.398 8.398 8.216 0.182 19283 3542 1 20 . 1 1 4 4 ILE N N 4 122.503 122.503 121.426 1.077 19283 3543 1 20 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.393 -0.188 19283 3544 1 20 . 1 1 4 4 ILE CA C 4 60.941 60.941 59.927 1.014 19283 3545 1 20 . 1 1 4 4 ILE CB C 4 38.817 38.817 38.054 0.763 19283 3546 1 20 . 1 1 4 4 ILE H H 4 8.162 8.162 7.700 0.462 19283 3547 1 20 . 1 1 5 5 THR N N 5 121.702 121.702 119.983 1.719 19283 3548 1 20 . 1 1 5 5 THR HA H 5 4.582 4.582 4.761 -0.179 19283 3549 1 20 . 1 1 5 5 THR CA C 5 59.724 59.724 60.040 -0.316 19283 3550 1 20 . 1 1 5 5 THR CB C 5 69.776 69.776 68.346 1.430 19283 3551 1 20 . 1 1 5 5 THR H H 5 8.278 8.278 8.270 0.009 19283 3552 1 20 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.554 -0.139 19283 3553 1 20 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.533 0.699 19283 3554 1 20 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.714 -0.271 19283 3555 1 20 . 1 1 7 7 SER N N 7 116.292 116.292 113.608 2.684 19283 3556 1 20 . 1 1 7 7 SER HA H 7 4.467 4.467 4.684 -0.217 19283 3557 1 20 . 1 1 7 7 SER CA C 7 58.535 58.535 58.113 0.422 19283 3558 1 20 . 1 1 7 7 SER H H 7 8.337 8.337 8.464 -0.127 19283 3559 1 20 . 1 1 8 8 CYS N N 8 119.603 119.603 120.311 -0.708 19283 3560 1 20 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.737 0.054 19283 3561 1 20 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.684 -5.948 19283 3562 1 20 . 1 1 8 8 CYS CB C 8 40.977 40.977 28.896 12.081 19283 3563 1 20 . 1 1 8 8 CYS H H 8 8.381 8.381 7.991 0.390 19283 3564 1 20 . 1 1 9 9 GLN N N 9 121.666 121.666 121.310 0.356 19283 3565 1 20 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.535 -0.346 19283 3566 1 20 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.185 0.226 19283 3567 1 20 . 1 1 9 9 GLN CB C 9 29.646 29.646 31.572 -1.926 19283 3568 1 20 . 1 1 9 9 GLN H H 9 8.849 8.849 8.522 0.327 19283 3569 1 20 . 1 1 10 10 LYS N N 10 121.116 121.116 118.331 2.785 19283 3570 1 20 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.077 0.070 19283 3571 1 20 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.840 1.655 19283 3572 1 20 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.468 -0.225 19283 3573 1 20 . 1 1 10 10 LYS H H 10 8.404 8.404 8.546 -0.142 19283 3574 1 20 . 1 1 11 11 GLY N N 11 112.504 112.504 104.908 7.596 19283 3575 1 20 . 1 1 11 11 GLY CA C 11 45.286 45.286 45.667 -0.381 19283 3576 1 20 . 1 1 11 11 GLY H H 11 9.046 9.046 8.519 0.527 19283 3577 1 20 . 1 1 12 12 TYR N N 12 122.192 122.192 119.307 2.885 19283 3578 1 20 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.666 0.644 19283 3579 1 20 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.728 -3.344 19283 3580 1 20 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.239 1.844 19283 3581 1 20 . 1 1 12 12 TYR H H 12 8.449 8.449 7.692 0.757 19283 3582 1 20 . 1 1 13 13 PHE N N 13 119.921 119.921 117.538 2.383 19283 3583 1 20 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.031 0.183 19283 3584 1 20 . 1 1 13 13 PHE CA C 13 54.578 54.578 53.811 0.767 19283 3585 1 20 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.909 0.275 19283 3586 1 20 . 1 1 13 13 PHE H H 13 9.541 9.541 8.549 0.992 19283 3587 1 20 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.381 0.683 19283 3588 1 20 . 1 1 14 14 PRO CA C 14 62.163 62.163 62.111 0.052 19283 3589 1 20 . 1 1 14 14 PRO CB C 14 32.885 32.885 31.851 1.034 19283 3590 1 20 . 1 1 15 15 CYS N N 15 119.902 119.902 121.806 -1.904 19283 3591 1 20 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.854 0.973 19283 3592 1 20 . 1 1 15 15 CYS CA C 15 55.136 55.136 60.065 -4.929 19283 3593 1 20 . 1 1 15 15 CYS CB C 15 38.087 38.087 28.363 9.724 19283 3594 1 20 . 1 1 15 15 CYS H H 15 8.183 8.183 8.132 0.051 19283 3595 1 20 . 1 1 16 16 GLY N N 16 112.243 112.243 110.516 1.727 19283 3596 1 20 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.165 -0.007 19283 3597 1 20 . 1 1 16 16 GLY H H 16 8.055 8.055 8.751 -0.696 19283 3598 1 20 . 1 1 17 17 ASN N N 17 123.356 123.356 116.319 7.037 19283 3599 1 20 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.698 -0.113 19283 3600 1 20 . 1 1 17 17 ASN CA C 17 53.554 53.554 52.996 0.558 19283 3601 1 20 . 1 1 17 17 ASN CB C 17 38.014 38.014 38.800 -0.785 19283 3602 1 20 . 1 1 17 17 ASN H H 17 8.674 8.674 8.333 0.341 19283 3603 1 20 . 1 1 18 18 LEU N N 18 119.935 119.935 121.199 -1.264 19283 3604 1 20 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.461 0.032 19283 3605 1 20 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.495 -1.159 19283 3606 1 20 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.666 0.390 19283 3607 1 20 . 1 1 18 18 LEU H H 18 7.693 7.693 7.562 0.131 19283 3608 1 20 . 1 1 19 19 THR N N 19 113.712 113.712 112.542 1.170 19283 3609 1 20 . 1 1 19 19 THR HA H 19 4.074 4.074 4.339 -0.265 19283 3610 1 20 . 1 1 19 19 THR CA C 19 61.657 61.657 61.489 0.169 19283 3611 1 20 . 1 1 19 19 THR CB C 19 68.103 68.103 68.557 -0.454 19283 3612 1 20 . 1 1 19 19 THR H H 19 8.202 8.202 8.176 0.026 19283 3613 1 20 . 1 1 20 20 LYS N N 20 123.274 123.274 122.454 0.820 19283 3614 1 20 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.371 -0.112 19283 3615 1 20 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.451 1.081 19283 3616 1 20 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.605 1.387 19283 3617 1 20 . 1 1 20 20 LYS H H 20 7.480 7.480 7.714 -0.234 19283 3618 1 20 . 1 1 21 21 CYS N N 21 123.003 123.003 122.985 0.018 19283 3619 1 20 . 1 1 21 21 CYS HA H 21 5.326 5.326 4.990 0.336 19283 3620 1 20 . 1 1 21 21 CYS CA C 21 54.861 54.861 58.878 -4.017 19283 3621 1 20 . 1 1 21 21 CYS CB C 21 45.734 45.734 27.111 18.623 19283 3622 1 20 . 1 1 21 21 CYS H H 21 8.489 8.489 8.731 -0.242 19283 3623 1 20 . 1 1 22 22 LEU N N 22 122.788 122.788 128.214 -5.426 19283 3624 1 20 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.788 0.110 19283 3625 1 20 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.888 -1.436 19283 3626 1 20 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.770 1.283 19283 3627 1 20 . 1 1 22 22 LEU H H 22 8.853 8.853 8.488 0.365 19283 3628 1 20 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.540 1.059 19283 3629 1 20 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.674 0.975 19283 3630 1 20 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.337 -0.363 19283 3631 1 20 . 1 1 24 24 ARG N N 24 121.052 121.052 118.771 2.281 19283 3632 1 20 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.213 -0.166 19283 3633 1 20 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.568 1.150 19283 3634 1 20 . 1 1 24 24 ARG CB C 24 29.989 29.989 28.996 0.993 19283 3635 1 20 . 1 1 24 24 ARG H H 24 8.029 8.029 8.398 -0.369 19283 3636 1 20 . 1 1 25 25 ALA N N 25 121.473 121.473 121.143 0.330 19283 3637 1 20 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.261 -0.154 19283 3638 1 20 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.629 1.187 19283 3639 1 20 . 1 1 25 25 ALA H H 25 8.513 8.513 8.236 0.277 19283 3640 1 20 . 1 1 26 26 PHE N N 26 112.036 112.036 114.095 -2.059 19283 3641 1 20 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.439 0.501 19283 3642 1 20 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.425 -1.034 19283 3643 1 20 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.462 -0.850 19283 3644 1 20 . 1 1 26 26 PHE H H 26 7.973 7.973 7.407 0.566 19283 3645 1 20 . 1 1 27 27 HIS N N 27 125.821 125.821 120.840 4.981 19283 3646 1 20 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.458 1.261 19283 3647 1 20 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.669 -0.240 19283 3648 1 20 . 1 1 27 27 HIS H H 27 8.535 8.535 7.302 1.233 19283 3649 1 20 . 1 1 28 28 CYS N N 28 125.400 125.400 124.813 0.587 19283 3650 1 20 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.065 0.618 19283 3651 1 20 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.490 -3.125 19283 3652 1 20 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.866 10.480 19283 3653 1 20 . 1 1 28 28 CYS H H 28 8.840 8.840 8.404 0.436 19283 3654 1 20 . 1 1 29 29 ASP N N 29 120.999 120.999 123.785 -2.786 19283 3655 1 20 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.645 0.161 19283 3656 1 20 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.359 -1.521 19283 3657 1 20 . 1 1 29 29 ASP CB C 29 41.416 41.416 41.814 -0.398 19283 3658 1 20 . 1 1 29 29 ASP H H 29 9.539 9.539 8.536 1.003 19283 3659 1 20 . 1 1 30 30 GLY N N 30 110.119 110.119 107.224 2.895 19283 3660 1 20 . 1 1 30 30 GLY CA C 30 45.588 45.588 45.146 0.442 19283 3661 1 20 . 1 1 30 30 GLY H H 30 9.267 9.267 8.438 0.829 19283 3662 1 20 . 1 1 31 31 LYS N N 31 115.357 115.357 120.226 -4.869 19283 3663 1 20 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.598 0.158 19283 3664 1 20 . 1 1 31 31 LYS CB C 31 35.004 35.004 35.187 -0.183 19283 3665 1 20 . 1 1 31 31 LYS H H 31 7.306 7.306 7.760 -0.454 19283 3666 1 20 . 1 1 32 32 ASP N N 32 125.726 125.726 119.712 6.014 19283 3667 1 20 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.726 -0.042 19283 3668 1 20 . 1 1 32 32 ASP CA C 32 53.708 53.708 55.234 -1.526 19283 3669 1 20 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.544 -1.800 19283 3670 1 20 . 1 1 32 32 ASP H H 32 9.038 9.038 8.472 0.566 19283 3671 1 20 . 1 1 33 33 ASP N N 33 128.314 128.314 125.522 2.792 19283 3672 1 20 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.808 -0.179 19283 3673 1 20 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.398 0.224 19283 3674 1 20 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.003 2.783 19283 3675 1 20 . 1 1 33 33 ASP H H 33 10.711 10.711 8.420 2.291 19283 3676 1 20 . 1 1 34 34 CYS N N 34 119.401 119.401 119.187 0.214 19283 3677 1 20 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.459 -0.090 19283 3678 1 20 . 1 1 34 34 CYS CA C 34 58.015 58.015 59.800 -1.784 19283 3679 1 20 . 1 1 34 34 CYS CB C 34 41.263 41.263 27.698 13.565 19283 3680 1 20 . 1 1 34 34 CYS H H 34 8.882 8.882 8.785 0.097 19283 3681 1 20 . 1 1 35 35 GLY N N 35 111.158 111.158 106.278 4.880 19283 3682 1 20 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.866 -0.813 19283 3683 1 20 . 1 1 35 35 GLY H H 35 9.647 9.647 9.005 0.642 19283 3684 1 20 . 1 1 36 36 ASN N N 36 116.001 116.001 120.887 -4.886 19283 3685 1 20 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.867 0.017 19283 3686 1 20 . 1 1 36 36 ASN CA C 36 51.306 51.306 52.699 -1.393 19283 3687 1 20 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.345 -0.185 19283 3688 1 20 . 1 1 36 36 ASN H H 36 7.280 7.280 8.439 -1.159 19283 3689 1 20 . 1 1 37 37 GLY N N 37 110.006 110.006 106.455 3.551 19283 3690 1 20 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.178 0.504 19283 3691 1 20 . 1 1 37 37 GLY H H 37 9.215 9.215 8.182 1.033 19283 3692 1 20 . 1 1 38 38 ALA N N 38 122.734 122.734 122.166 0.568 19283 3693 1 20 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.526 -0.425 19283 3694 1 20 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.705 3.175 19283 3695 1 20 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.905 -0.767 19283 3696 1 20 . 1 1 38 38 ALA H H 38 7.953 7.953 8.220 -0.267 19283 3697 1 20 . 1 1 39 39 ASP N N 39 110.255 110.255 119.661 -9.406 19283 3698 1 20 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.782 -0.299 19283 3699 1 20 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.538 -2.071 19283 3700 1 20 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.505 -0.736 19283 3701 1 20 . 1 1 39 39 ASP H H 39 10.386 10.386 8.807 1.579 19283 3702 1 20 . 1 1 40 40 GLU N N 40 117.907 117.907 117.674 0.233 19283 3703 1 20 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.099 0.563 19283 3704 1 20 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.718 -4.364 19283 3705 1 20 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.744 0.489 19283 3706 1 20 . 1 1 40 40 GLU H H 40 7.679 7.679 8.728 -1.049 19283 3707 1 20 . 1 1 41 41 GLU N N 41 120.082 120.082 118.226 1.856 19283 3708 1 20 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.261 0.081 19283 3709 1 20 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.644 -0.795 19283 3710 1 20 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.140 1.392 19283 3711 1 20 . 1 1 41 41 GLU H H 41 6.964 6.964 7.783 -0.819 19283 3712 1 20 . 1 1 42 42 ASN N N 42 117.487 117.487 113.974 3.513 19283 3713 1 20 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.500 -0.003 19283 3714 1 20 . 1 1 42 42 ASN CB C 42 37.147 37.147 37.115 0.032 19283 3715 1 20 . 1 1 42 42 ASN H H 42 9.008 9.008 8.804 0.204 19283 3716 1 20 . 1 1 43 43 CYS N N 43 117.347 117.347 117.165 0.182 19283 3717 1 20 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.636 -0.034 19283 3718 1 20 . 1 1 43 43 CYS CA C 43 55.003 55.003 57.769 -2.766 19283 3719 1 20 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.154 12.282 19283 3720 1 20 . 1 1 43 43 CYS H H 43 8.294 8.294 8.091 0.203 19283 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 38 3.377 -0.483 3.387 19283 2 1 1 "Average Difference" HA 47 0.411 -0.133 0.393 19283 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19283 4 1 1 "Average Difference" CA 39 2.059 0.758 1.940 19283 5 1 1 "Average Difference" CB 34 5.648 -2.400 5.189 19283 6 1 1 "Average Difference" HN 38 0.711 -0.250 0.675 19283 7 1 2 "Average Difference" N 38 3.740 -1.029 3.644 19283 8 1 2 "Average Difference" HA 47 0.411 -0.112 0.400 19283 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19283 10 1 2 "Average Difference" CA 39 2.050 0.801 1.912 19283 11 1 2 "Average Difference" CB 34 5.375 -2.267 4.947 19283 12 1 2 "Average Difference" HN 38 0.724 -0.210 0.702 19283 13 1 3 "Average Difference" N 38 3.689 -1.115 3.563 19283 14 1 3 "Average Difference" HA 47 0.403 -0.103 0.394 19283 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19283 16 1 3 "Average Difference" CA 39 2.087 0.701 1.991 19283 17 1 3 "Average Difference" CB 34 5.322 -2.257 4.893 19283 18 1 3 "Average Difference" HN 38 0.684 -0.279 0.633 19283 19 1 4 "Average Difference" N 38 3.572 -0.395 3.598 19283 20 1 4 "Average Difference" HA 47 0.428 -0.130 0.412 19283 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19283 22 1 4 "Average Difference" CA 39 1.982 0.697 1.880 19283 23 1 4 "Average Difference" CB 34 5.625 -2.400 5.164 19283 24 1 4 "Average Difference" HN 38 0.685 -0.270 0.638 19283 25 1 5 "Average Difference" N 38 3.543 -1.203 3.378 19283 26 1 5 "Average Difference" HA 47 0.413 -0.116 0.400 19283 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19283 28 1 5 "Average Difference" CA 39 2.082 0.763 1.962 19283 29 1 5 "Average Difference" CB 34 5.517 -2.419 5.033 19283 30 1 5 "Average Difference" HN 38 0.713 -0.279 0.665 19283 31 1 6 "Average Difference" N 38 3.244 -0.460 3.254 19283 32 1 6 "Average Difference" HA 47 0.407 -0.161 0.378 19283 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19283 34 1 6 "Average Difference" CA 39 1.970 0.772 1.836 19283 35 1 6 "Average Difference" CB 34 5.688 -2.469 5.201 19283 36 1 6 "Average Difference" HN 38 0.734 -0.272 0.691 19283 37 1 7 "Average Difference" N 38 3.890 -1.046 3.797 19283 38 1 7 "Average Difference" HA 47 0.399 -0.131 0.381 19283 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19283 40 1 7 "Average Difference" CA 39 2.064 0.734 1.954 19283 41 1 7 "Average Difference" CB 34 5.683 -2.452 5.204 19283 42 1 7 "Average Difference" HN 38 0.734 -0.244 0.702 19283 43 1 8 "Average Difference" N 38 3.530 -0.902 3.458 19283 44 1 8 "Average Difference" HA 47 0.415 -0.120 0.402 19283 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19283 46 1 8 "Average Difference" CA 39 2.100 0.752 1.986 19283 47 1 8 "Average Difference" CB 34 5.655 -2.299 5.245 19283 48 1 8 "Average Difference" HN 38 0.705 -0.235 0.673 19283 49 1 9 "Average Difference" N 38 3.497 -0.778 3.455 19283 50 1 9 "Average Difference" HA 47 0.399 -0.149 0.374 19283 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19283 52 1 9 "Average Difference" CA 39 2.001 0.769 1.872 19283 53 1 9 "Average Difference" CB 34 5.646 -2.503 5.137 19283 54 1 9 "Average Difference" HN 38 0.727 -0.274 0.683 19283 55 1 10 "Average Difference" N 38 3.488 -0.710 3.460 19283 56 1 10 "Average Difference" HA 47 0.409 -0.134 0.390 19283 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19283 58 1 10 "Average Difference" CA 39 2.083 0.795 1.950 19283 59 1 10 "Average Difference" CB 34 5.681 -2.413 5.220 19283 60 1 10 "Average Difference" HN 38 0.733 -0.280 0.687 19283 61 1 11 "Average Difference" N 38 3.072 -0.377 3.090 19283 62 1 11 "Average Difference" HA 47 0.409 -0.094 0.402 19283 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19283 64 1 11 "Average Difference" CA 39 1.866 0.547 1.808 19283 65 1 11 "Average Difference" CB 34 5.786 -2.475 5.308 19283 66 1 11 "Average Difference" HN 38 0.733 -0.217 0.710 19283 67 1 12 "Average Difference" N 38 3.371 -0.651 3.352 19283 68 1 12 "Average Difference" HA 47 0.403 -0.148 0.379 19283 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19283 70 1 12 "Average Difference" CA 39 2.110 0.884 1.942 19283 71 1 12 "Average Difference" CB 34 5.618 -2.395 5.158 19283 72 1 12 "Average Difference" HN 38 0.733 -0.259 0.694 19283 73 1 13 "Average Difference" N 38 3.431 -1.099 3.294 19283 74 1 13 "Average Difference" HA 47 0.401 -0.110 0.390 19283 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19283 76 1 13 "Average Difference" CA 39 2.029 0.791 1.893 19283 77 1 13 "Average Difference" CB 34 5.418 -2.296 4.981 19283 78 1 13 "Average Difference" HN 38 0.717 -0.239 0.685 19283 79 1 14 "Average Difference" N 38 3.491 -0.997 3.390 19283 80 1 14 "Average Difference" HA 47 0.432 -0.144 0.412 19283 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19283 82 1 14 "Average Difference" CA 39 1.936 0.741 1.812 19283 83 1 14 "Average Difference" CB 34 5.598 -2.444 5.112 19283 84 1 14 "Average Difference" HN 38 0.686 -0.283 0.633 19283 85 1 15 "Average Difference" N 38 3.934 -1.085 3.832 19283 86 1 15 "Average Difference" HA 47 0.398 -0.144 0.375 19283 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19283 88 1 15 "Average Difference" CA 39 2.038 0.817 1.891 19283 89 1 15 "Average Difference" CB 34 5.655 -2.493 5.152 19283 90 1 15 "Average Difference" HN 38 0.705 -0.245 0.670 19283 91 1 16 "Average Difference" N 38 3.011 -0.263 3.040 19283 92 1 16 "Average Difference" HA 47 0.402 -0.109 0.391 19283 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19283 94 1 16 "Average Difference" CA 39 1.901 0.569 1.838 19283 95 1 16 "Average Difference" CB 34 5.710 -2.377 5.270 19283 96 1 16 "Average Difference" HN 38 0.716 -0.234 0.686 19283 97 1 17 "Average Difference" N 38 3.280 -0.444 3.293 19283 98 1 17 "Average Difference" HA 47 0.397 -0.136 0.377 19283 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19283 100 1 17 "Average Difference" CA 39 1.808 0.676 1.699 19283 101 1 17 "Average Difference" CB 34 5.788 -2.372 5.359 19283 102 1 17 "Average Difference" HN 38 0.751 -0.254 0.716 19283 103 1 18 "Average Difference" N 38 2.831 -0.489 2.825 19283 104 1 18 "Average Difference" HA 47 0.398 -0.088 0.392 19283 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19283 106 1 18 "Average Difference" CA 39 1.754 0.607 1.667 19283 107 1 18 "Average Difference" CB 34 5.700 -2.438 5.230 19283 108 1 18 "Average Difference" HN 38 0.693 -0.251 0.654 19283 109 1 19 "Average Difference" N 38 3.652 -1.076 3.537 19283 110 1 19 "Average Difference" HA 47 0.383 -0.128 0.365 19283 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19283 112 1 19 "Average Difference" CA 39 1.931 0.774 1.792 19283 113 1 19 "Average Difference" CB 34 5.473 -2.350 5.017 19283 114 1 19 "Average Difference" HN 38 0.723 -0.260 0.684 19283 115 1 20 "Average Difference" N 38 3.499 -0.862 3.437 19283 116 1 20 "Average Difference" HA 47 0.409 -0.119 0.396 19283 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19283 118 1 20 "Average Difference" CA 39 2.057 0.757 1.938 19283 119 1 20 "Average Difference" CB 34 5.594 -2.406 5.126 19283 120 1 20 "Average Difference" HN 38 0.729 -0.262 0.690 19283 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 19283 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER HA H 2 4.450 4.450 4.542 -0.092 19283 2 1 . 1 1 2 2 SER CA C 2 58.088 58.088 58.443 -0.355 19283 3 1 . 1 1 2 2 SER CB C 2 64.021 64.021 63.901 0.120 19283 4 1 . 1 1 3 3 MET N N 3 122.320 122.320 121.876 0.444 19283 5 1 . 1 1 3 3 MET HA H 3 4.500 4.500 4.646 -0.146 19283 6 1 . 1 1 3 3 MET CA C 3 55.524 55.524 55.463 0.061 19283 7 1 . 1 1 3 3 MET H H 3 8.398 8.398 8.292 0.106 19283 8 1 . 1 1 4 4 ILE N N 4 122.503 122.503 120.047 2.456 19283 9 1 . 1 1 4 4 ILE HA H 4 4.205 4.205 4.506 -0.301 19283 10 1 . 1 1 4 4 ILE CA C 4 60.941 60.941 61.028 -0.087 19283 11 1 . 1 1 4 4 ILE CB C 4 38.817 38.817 39.565 -0.748 19283 12 1 . 1 1 4 4 ILE H H 4 8.162 8.162 8.075 0.087 19283 13 1 . 1 1 5 5 THR N N 5 121.702 121.702 117.642 4.060 19283 14 1 . 1 1 5 5 THR HA H 5 4.582 4.582 4.637 -0.055 19283 15 1 . 1 1 5 5 THR CA C 5 59.724 59.724 60.213 -0.489 19283 16 1 . 1 1 5 5 THR CB C 5 69.776 69.776 68.828 0.948 19283 17 1 . 1 1 5 5 THR H H 5 8.278 8.278 8.289 -0.011 19283 18 1 . 1 1 6 6 PRO HA H 6 4.415 4.415 4.607 -0.192 19283 19 1 . 1 1 6 6 PRO CA C 6 63.232 63.232 62.817 0.415 19283 20 1 . 1 1 6 6 PRO CB C 6 32.443 32.443 32.541 -0.098 19283 21 1 . 1 1 7 7 SER N N 7 116.292 116.292 115.434 0.858 19283 22 1 . 1 1 7 7 SER HA H 7 4.467 4.467 4.550 -0.083 19283 23 1 . 1 1 7 7 SER CA C 7 58.535 58.535 58.209 0.326 19283 24 1 . 1 1 7 7 SER H H 7 8.337 8.337 8.545 -0.208 19283 25 1 . 1 1 8 8 CYS N N 8 119.603 119.603 119.500 0.103 19283 26 1 . 1 1 8 8 CYS HA H 8 4.791 4.791 4.705 0.086 19283 27 1 . 1 1 8 8 CYS CA C 8 52.736 52.736 58.072 -5.336 19283 28 1 . 1 1 8 8 CYS CB C 8 40.977 40.977 29.190 11.787 19283 29 1 . 1 1 8 8 CYS H H 8 8.381 8.381 7.917 0.464 19283 30 1 . 1 1 9 9 GLN N N 9 121.666 121.666 121.843 -0.177 19283 31 1 . 1 1 9 9 GLN HA H 9 4.189 4.189 4.484 -0.295 19283 32 1 . 1 1 9 9 GLN CA C 9 55.411 55.411 55.321 0.090 19283 33 1 . 1 1 9 9 GLN CB C 9 29.646 29.646 31.013 -1.367 19283 34 1 . 1 1 9 9 GLN H H 9 8.849 8.849 8.449 0.400 19283 35 1 . 1 1 10 10 LYS N N 10 121.116 121.116 119.083 2.033 19283 36 1 . 1 1 10 10 LYS HA H 10 4.147 4.147 4.065 0.082 19283 37 1 . 1 1 10 10 LYS CA C 10 58.495 58.495 56.832 1.663 19283 38 1 . 1 1 10 10 LYS CB C 10 32.243 32.243 32.091 0.152 19283 39 1 . 1 1 10 10 LYS H H 10 8.404 8.404 8.730 -0.326 19283 40 1 . 1 1 11 11 GLY N N 11 112.504 112.504 106.637 5.867 19283 41 1 . 1 1 11 11 GLY CA C 11 45.286 45.286 45.553 -0.267 19283 42 1 . 1 1 11 11 GLY H H 11 9.046 9.046 8.577 0.469 19283 43 1 . 1 1 12 12 TYR N N 12 122.192 122.192 120.528 1.664 19283 44 1 . 1 1 12 12 TYR HA H 12 5.310 5.310 4.921 0.389 19283 45 1 . 1 1 12 12 TYR CA C 12 56.384 56.384 59.049 -2.665 19283 46 1 . 1 1 12 12 TYR CB C 12 41.083 41.083 39.665 1.418 19283 47 1 . 1 1 12 12 TYR H H 12 8.449 8.449 7.715 0.734 19283 48 1 . 1 1 13 13 PHE N N 13 119.921 119.921 117.525 2.397 19283 49 1 . 1 1 13 13 PHE HA H 13 5.214 5.214 5.039 0.175 19283 50 1 . 1 1 13 13 PHE CA C 13 54.578 54.578 54.093 0.485 19283 51 1 . 1 1 13 13 PHE CB C 13 41.184 41.184 40.832 0.352 19283 52 1 . 1 1 13 13 PHE H H 13 9.541 9.541 8.447 1.094 19283 53 1 . 1 1 14 14 PRO HA H 14 5.064 5.064 4.558 0.506 19283 54 1 . 1 1 14 14 PRO CA C 14 62.163 62.163 61.891 0.272 19283 55 1 . 1 1 14 14 PRO CB C 14 32.885 32.885 31.950 0.935 19283 56 1 . 1 1 15 15 CYS N N 15 119.902 119.902 122.964 -3.062 19283 57 1 . 1 1 15 15 CYS HA H 15 4.827 4.827 3.890 0.937 19283 58 1 . 1 1 15 15 CYS CA C 15 55.136 55.136 60.015 -4.879 19283 59 1 . 1 1 15 15 CYS CB C 15 38.087 38.087 25.799 12.288 19283 60 1 . 1 1 15 15 CYS H H 15 8.183 8.183 8.339 -0.156 19283 61 1 . 1 1 16 16 GLY N N 16 112.243 112.243 113.355 -1.112 19283 62 1 . 1 1 16 16 GLY CA C 16 47.158 47.158 47.254 -0.096 19283 63 1 . 1 1 16 16 GLY H H 16 8.055 8.055 8.669 -0.614 19283 64 1 . 1 1 17 17 ASN N N 17 123.356 123.356 119.584 3.772 19283 65 1 . 1 1 17 17 ASN HA H 17 4.585 4.585 4.829 -0.244 19283 66 1 . 1 1 17 17 ASN CA C 17 53.554 53.554 52.914 0.640 19283 67 1 . 1 1 17 17 ASN CB C 17 38.014 38.014 39.690 -1.676 19283 68 1 . 1 1 17 17 ASN H H 17 8.674 8.674 8.249 0.425 19283 69 1 . 1 1 18 18 LEU N N 18 119.935 119.935 121.092 -1.157 19283 70 1 . 1 1 18 18 LEU HA H 18 4.493 4.493 4.384 0.109 19283 71 1 . 1 1 18 18 LEU CA C 18 54.336 54.336 55.389 -1.053 19283 72 1 . 1 1 18 18 LEU CB C 18 43.055 43.055 42.755 0.300 19283 73 1 . 1 1 18 18 LEU H H 18 7.693 7.693 7.764 -0.071 19283 74 1 . 1 1 19 19 THR N N 19 113.712 113.712 112.818 0.894 19283 75 1 . 1 1 19 19 THR HA H 19 4.074 4.074 4.332 -0.258 19283 76 1 . 1 1 19 19 THR CA C 19 61.657 61.657 61.523 0.134 19283 77 1 . 1 1 19 19 THR CB C 19 68.103 68.103 68.431 -0.328 19283 78 1 . 1 1 19 19 THR H H 19 8.202 8.202 8.175 0.027 19283 79 1 . 1 1 20 20 LYS N N 20 123.274 123.274 121.872 1.402 19283 80 1 . 1 1 20 20 LYS HA H 20 4.259 4.259 4.368 -0.109 19283 81 1 . 1 1 20 20 LYS CA C 20 56.532 56.532 55.625 0.907 19283 82 1 . 1 1 20 20 LYS CB C 20 34.993 34.993 33.863 1.130 19283 83 1 . 1 1 20 20 LYS H H 20 7.480 7.480 7.589 -0.109 19283 84 1 . 1 1 21 21 CYS N N 21 123.003 123.003 122.134 0.869 19283 85 1 . 1 1 21 21 CYS HA H 21 5.326 5.326 5.191 0.135 19283 86 1 . 1 1 21 21 CYS CA C 21 54.861 54.861 58.133 -3.272 19283 87 1 . 1 1 21 21 CYS CB C 21 45.734 45.734 27.859 17.875 19283 88 1 . 1 1 21 21 CYS H H 21 8.489 8.489 8.629 -0.140 19283 89 1 . 1 1 22 22 LEU N N 22 122.788 122.788 127.594 -4.806 19283 90 1 . 1 1 22 22 LEU HA H 22 4.898 4.898 4.846 0.052 19283 91 1 . 1 1 22 22 LEU CA C 22 51.452 51.452 52.442 -0.990 19283 92 1 . 1 1 22 22 LEU CB C 22 45.053 45.053 43.718 1.335 19283 93 1 . 1 1 22 22 LEU H H 22 8.853 8.853 8.491 0.362 19283 94 1 . 1 1 23 23 PRO HA H 23 3.599 3.599 2.658 0.941 19283 95 1 . 1 1 23 23 PRO CA C 23 62.649 62.649 61.731 0.918 19283 96 1 . 1 1 23 23 PRO CB C 23 31.974 31.974 32.231 -0.257 19283 97 1 . 1 1 24 24 ARG N N 24 121.052 121.052 118.874 2.178 19283 98 1 . 1 1 24 24 ARG HA H 24 4.047 4.047 4.276 -0.229 19283 99 1 . 1 1 24 24 ARG CA C 24 59.718 59.718 58.597 1.121 19283 100 1 . 1 1 24 24 ARG CB C 24 29.989 29.989 29.118 0.871 19283 101 1 . 1 1 24 24 ARG H H 24 8.029 8.029 8.377 -0.348 19283 102 1 . 1 1 25 25 ALA N N 25 121.473 121.473 121.107 0.366 19283 103 1 . 1 1 25 25 ALA HA H 25 4.107 4.107 4.279 -0.172 19283 104 1 . 1 1 25 25 ALA CA C 25 54.816 54.816 53.534 1.282 19283 105 1 . 1 1 25 25 ALA H H 25 8.513 8.513 8.252 0.261 19283 106 1 . 1 1 26 26 PHE N N 26 112.036 112.036 114.817 -2.782 19283 107 1 . 1 1 26 26 PHE HA H 26 4.940 4.940 4.270 0.670 19283 108 1 . 1 1 26 26 PHE CA C 26 56.391 56.391 57.679 -1.288 19283 109 1 . 1 1 26 26 PHE CB C 26 37.612 37.612 38.428 -0.816 19283 110 1 . 1 1 26 26 PHE H H 26 7.973 7.973 7.409 0.565 19283 111 1 . 1 1 27 27 HIS N N 27 125.821 125.821 120.879 4.942 19283 112 1 . 1 1 27 27 HIS HA H 27 4.719 4.719 3.489 1.230 19283 113 1 . 1 1 27 27 HIS CB C 27 28.429 28.429 28.344 0.085 19283 114 1 . 1 1 27 27 HIS H H 27 8.535 8.535 7.242 1.293 19283 115 1 . 1 1 28 28 CYS N N 28 125.400 125.400 124.829 0.571 19283 116 1 . 1 1 28 28 CYS HA H 28 4.683 4.683 4.038 0.645 19283 117 1 . 1 1 28 28 CYS CA C 28 56.365 56.365 59.666 -3.301 19283 118 1 . 1 1 28 28 CYS CB C 28 36.346 36.346 25.338 11.008 19283 119 1 . 1 1 28 28 CYS H H 28 8.840 8.840 8.263 0.577 19283 120 1 . 1 1 29 29 ASP N N 29 120.999 120.999 123.545 -2.546 19283 121 1 . 1 1 29 29 ASP HA H 29 4.806 4.806 4.585 0.221 19283 122 1 . 1 1 29 29 ASP CA C 29 52.838 52.838 54.348 -1.510 19283 123 1 . 1 1 29 29 ASP CB C 29 41.416 41.416 41.966 -0.550 19283 124 1 . 1 1 29 29 ASP H H 29 9.539 9.539 8.565 0.974 19283 125 1 . 1 1 30 30 GLY N N 30 110.119 110.119 107.338 2.781 19283 126 1 . 1 1 30 30 GLY CA C 30 45.588 45.588 44.998 0.590 19283 127 1 . 1 1 30 30 GLY H H 30 9.267 9.267 8.470 0.797 19283 128 1 . 1 1 31 31 LYS N N 31 115.357 115.357 119.758 -4.401 19283 129 1 . 1 1 31 31 LYS HA H 31 4.756 4.756 4.590 0.166 19283 130 1 . 1 1 31 31 LYS CB C 31 35.004 35.004 34.724 0.280 19283 131 1 . 1 1 31 31 LYS H H 31 7.306 7.306 7.830 -0.524 19283 132 1 . 1 1 32 32 ASP N N 32 125.726 125.726 120.151 5.575 19283 133 1 . 1 1 32 32 ASP HA H 32 4.684 4.684 4.719 -0.035 19283 134 1 . 1 1 32 32 ASP CA C 32 53.708 53.708 54.876 -1.168 19283 135 1 . 1 1 32 32 ASP CB C 32 39.743 39.743 41.232 -1.489 19283 136 1 . 1 1 32 32 ASP H H 32 9.038 9.038 8.471 0.567 19283 137 1 . 1 1 33 33 ASP N N 33 128.314 128.314 122.570 5.744 19283 138 1 . 1 1 33 33 ASP HA H 33 4.629 4.629 4.810 -0.181 19283 139 1 . 1 1 33 33 ASP CA C 33 55.622 55.622 55.265 0.357 19283 140 1 . 1 1 33 33 ASP CB C 33 44.786 44.786 42.014 2.772 19283 141 1 . 1 1 33 33 ASP H H 33 10.711 10.711 8.798 1.913 19283 142 1 . 1 1 34 34 CYS N N 34 119.401 119.401 118.217 1.184 19283 143 1 . 1 1 34 34 CYS HA H 34 4.369 4.369 4.475 -0.106 19283 144 1 . 1 1 34 34 CYS CA C 34 58.015 58.015 60.117 -2.102 19283 145 1 . 1 1 34 34 CYS CB C 34 41.263 41.263 28.821 12.442 19283 146 1 . 1 1 34 34 CYS H H 34 8.882 8.882 8.510 0.372 19283 147 1 . 1 1 35 35 GLY N N 35 111.158 111.158 107.743 3.415 19283 148 1 . 1 1 35 35 GLY CA C 35 45.053 45.053 45.765 -0.712 19283 149 1 . 1 1 35 35 GLY H H 35 9.647 9.647 8.578 1.069 19283 150 1 . 1 1 36 36 ASN N N 36 116.001 116.001 120.035 -4.034 19283 151 1 . 1 1 36 36 ASN HA H 36 4.884 4.884 4.770 0.114 19283 152 1 . 1 1 36 36 ASN CA C 36 51.306 51.306 52.938 -1.632 19283 153 1 . 1 1 36 36 ASN CB C 36 39.160 39.160 39.124 0.036 19283 154 1 . 1 1 36 36 ASN H H 36 7.280 7.280 8.335 -1.055 19283 155 1 . 1 1 37 37 GLY N N 37 110.006 110.006 106.953 3.053 19283 156 1 . 1 1 37 37 GLY CA C 37 45.682 45.682 45.215 0.467 19283 157 1 . 1 1 37 37 GLY H H 37 9.215 9.215 8.363 0.852 19283 158 1 . 1 1 38 38 ALA N N 38 122.734 122.734 122.362 0.372 19283 159 1 . 1 1 38 38 ALA HA H 38 4.101 4.101 4.505 -0.404 19283 160 1 . 1 1 38 38 ALA CA C 38 55.880 55.880 52.748 3.132 19283 161 1 . 1 1 38 38 ALA CB C 38 19.138 19.138 19.841 -0.703 19283 162 1 . 1 1 38 38 ALA H H 38 7.953 7.953 8.167 -0.214 19283 163 1 . 1 1 39 39 ASP N N 39 110.255 110.255 119.189 -8.934 19283 164 1 . 1 1 39 39 ASP HA H 39 4.483 4.483 4.770 -0.287 19283 165 1 . 1 1 39 39 ASP CA C 39 54.468 54.468 56.523 -2.055 19283 166 1 . 1 1 39 39 ASP CB C 39 39.769 39.769 40.347 -0.578 19283 167 1 . 1 1 39 39 ASP H H 39 10.386 10.386 8.853 1.533 19283 168 1 . 1 1 40 40 GLU N N 40 117.907 117.907 118.111 -0.204 19283 169 1 . 1 1 40 40 GLU HA H 40 4.662 4.662 4.122 0.540 19283 170 1 . 1 1 40 40 GLU CA C 40 54.354 54.354 58.373 -4.019 19283 171 1 . 1 1 40 40 GLU CB C 40 30.233 30.233 29.488 0.745 19283 172 1 . 1 1 40 40 GLU H H 40 7.679 7.679 8.697 -1.018 19283 173 1 . 1 1 41 41 GLU N N 41 120.082 120.082 118.462 1.620 19283 174 1 . 1 1 41 41 GLU HA H 41 4.342 4.342 4.262 0.080 19283 175 1 . 1 1 41 41 GLU CA C 41 55.849 55.849 56.448 -0.599 19283 176 1 . 1 1 41 41 GLU CB C 41 31.532 31.532 30.174 1.358 19283 177 1 . 1 1 41 41 GLU H H 41 6.964 6.964 7.708 -0.744 19283 178 1 . 1 1 42 42 ASN N N 42 117.487 117.487 114.743 2.744 19283 179 1 . 1 1 42 42 ASN HA H 42 4.497 4.497 4.437 0.060 19283 180 1 . 1 1 42 42 ASN CB C 42 37.147 37.147 37.442 -0.296 19283 181 1 . 1 1 42 42 ASN H H 42 9.008 9.008 8.820 0.188 19283 182 1 . 1 1 43 43 CYS N N 43 117.347 117.347 116.113 1.234 19283 183 1 . 1 1 43 43 CYS HA H 43 4.602 4.602 4.625 -0.023 19283 184 1 . 1 1 43 43 CYS CA C 43 55.003 55.003 58.664 -3.661 19283 185 1 . 1 1 43 43 CYS CB C 43 39.436 39.436 27.294 12.142 19283 186 1 . 1 1 43 43 CYS H H 43 8.294 8.294 8.202 0.092 19283 stop_ save_