data_19542 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19542 _Entry.PDB_ID 2MFA 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 19542 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS N N 2 126.352 126.352 121.449 4.903 19542 2 1 1 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.202 0.188 19542 3 1 1 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.743 -0.341 19542 4 1 1 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.276 -3.542 19542 5 1 1 . 1 1 2 2 LYS H H 2 8.381 8.381 8.290 0.091 19542 6 1 1 . 1 1 3 3 CYS N N 3 117.974 117.974 120.780 -2.806 19542 7 1 1 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.526 0.433 19542 8 1 1 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.262 -6.990 19542 9 1 1 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.368 9.671 19542 10 1 1 . 1 1 3 3 CYS H H 3 8.394 8.394 8.918 -0.524 19542 11 1 1 . 1 1 4 4 PHE N N 4 120.016 120.016 121.057 -1.041 19542 12 1 1 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.852 -0.246 19542 13 1 1 . 1 1 4 4 PHE CB C 4 39.719 39.719 36.811 2.908 19542 14 1 1 . 1 1 4 4 PHE H H 4 9.550 9.550 9.320 0.230 19542 15 1 1 . 1 1 5 5 GLN N N 5 120.517 120.517 122.010 -1.493 19542 16 1 1 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.305 0.117 19542 17 1 1 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.793 -1.790 19542 18 1 1 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.498 3.096 19542 19 1 1 . 1 1 5 5 GLN H H 5 9.406 9.406 7.904 1.502 19542 20 1 1 . 1 1 6 6 HIS N N 6 118.478 118.478 117.094 1.384 19542 21 1 1 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.751 -0.273 19542 22 1 1 . 1 1 6 6 HIS CA C 6 56.627 56.627 55.580 1.047 19542 23 1 1 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.384 -2.408 19542 24 1 1 . 1 1 6 6 HIS H H 6 8.827 8.827 7.414 1.413 19542 25 1 1 . 1 1 7 7 GLY N N 7 103.072 103.072 108.181 -5.109 19542 26 1 1 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.513 0.411 19542 27 1 1 . 1 1 7 7 GLY H H 7 8.440 8.440 8.607 -0.167 19542 28 1 1 . 1 1 8 8 LYS N N 8 119.909 119.909 121.195 -1.286 19542 29 1 1 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.634 0.194 19542 30 1 1 . 1 1 8 8 LYS CB C 8 35.493 35.493 33.838 1.655 19542 31 1 1 . 1 1 8 8 LYS H H 8 7.703 7.703 7.337 0.366 19542 32 1 1 . 1 1 9 9 VAL N N 9 122.232 122.232 123.687 -1.455 19542 33 1 1 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.658 0.154 19542 34 1 1 . 1 1 9 9 VAL CA C 9 63.286 63.286 61.961 1.325 19542 35 1 1 . 1 1 9 9 VAL CB C 9 26.812 26.812 30.395 -3.583 19542 36 1 1 . 1 1 9 9 VAL H H 9 8.552 8.552 8.531 0.021 19542 37 1 1 . 1 1 10 10 VAL N N 10 123.963 123.963 125.370 -1.407 19542 38 1 1 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.725 -0.119 19542 39 1 1 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.294 1.098 19542 40 1 1 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.033 -0.251 19542 41 1 1 . 1 1 10 10 VAL H H 10 8.920 8.920 8.562 0.358 19542 42 1 1 . 1 1 11 11 THR N N 11 118.572 118.572 119.135 -0.563 19542 43 1 1 . 1 1 11 11 THR HA H 11 4.443 4.443 4.444 -0.001 19542 44 1 1 . 1 1 11 11 THR CA C 11 62.719 62.719 63.181 -0.462 19542 45 1 1 . 1 1 11 11 THR CB C 11 68.689 68.689 68.622 0.067 19542 46 1 1 . 1 1 11 11 THR H H 11 8.517 8.517 8.194 0.323 19542 47 1 1 . 1 1 12 12 CYS N N 12 126.835 126.835 127.027 -0.192 19542 48 1 1 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.373 0.298 19542 49 1 1 . 1 1 12 12 CYS CA C 12 53.036 53.036 59.011 -5.976 19542 50 1 1 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.579 11.312 19542 51 1 1 . 1 1 12 12 CYS H H 12 8.970 8.970 8.401 0.569 19542 52 1 1 . 1 1 13 13 HIS N N 13 121.091 121.091 122.239 -1.148 19542 53 1 1 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.506 0.143 19542 54 1 1 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.931 -2.433 19542 55 1 1 . 1 1 13 13 HIS H H 13 9.015 9.015 8.732 0.283 19542 56 1 1 . 1 1 14 14 ARG N N 14 120.872 120.872 121.864 -0.992 19542 57 1 1 . 1 1 14 14 ARG HA H 14 4.043 4.043 4.011 0.032 19542 58 1 1 . 1 1 14 14 ARG CA C 14 58.962 58.962 58.179 0.783 19542 59 1 1 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.697 0.317 19542 60 1 1 . 1 1 14 14 ARG H H 14 8.689 8.689 8.117 0.572 19542 61 1 1 . 1 1 15 15 ASP N N 15 121.233 121.233 118.838 2.395 19542 62 1 1 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.687 -0.184 19542 63 1 1 . 1 1 15 15 ASP CA C 15 54.306 54.306 56.136 -1.830 19542 64 1 1 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.468 -2.361 19542 65 1 1 . 1 1 15 15 ASP H H 15 8.907 8.907 7.820 1.087 19542 66 1 1 . 1 1 16 16 MET N N 16 119.073 119.073 118.791 0.282 19542 67 1 1 . 1 1 16 16 MET HA H 16 4.415 4.415 4.574 -0.159 19542 68 1 1 . 1 1 16 16 MET CA C 16 55.995 55.995 55.946 0.049 19542 69 1 1 . 1 1 16 16 MET CB C 16 32.662 32.662 32.351 0.311 19542 70 1 1 . 1 1 16 16 MET H H 16 7.811 7.811 7.720 0.091 19542 71 1 1 . 1 1 17 17 LYS N N 17 120.187 120.187 122.056 -1.869 19542 72 1 1 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.160 0.107 19542 73 1 1 . 1 1 17 17 LYS CA C 17 55.889 55.889 57.291 -1.402 19542 74 1 1 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.334 0.772 19542 75 1 1 . 1 1 17 17 LYS H H 17 7.763 7.763 8.200 -0.437 19542 76 1 1 . 1 1 18 18 PHE N N 18 115.631 115.631 116.996 -1.365 19542 77 1 1 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.089 0.024 19542 78 1 1 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.491 0.480 19542 79 1 1 . 1 1 18 18 PHE CB C 18 43.018 43.018 43.172 -0.154 19542 80 1 1 . 1 1 18 18 PHE H H 18 8.252 8.252 8.127 0.125 19542 81 1 1 . 1 1 19 19 CYS N N 19 115.508 115.508 119.835 -4.327 19542 82 1 1 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.213 0.789 19542 83 1 1 . 1 1 19 19 CYS CA C 19 52.258 52.258 57.867 -5.609 19542 84 1 1 . 1 1 19 19 CYS CB C 19 38.627 38.627 28.515 10.112 19542 85 1 1 . 1 1 19 19 CYS H H 19 9.343 9.343 9.496 -0.153 19542 86 1 1 . 1 1 20 20 TYR N N 20 128.934 128.934 118.623 10.311 19542 87 1 1 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.717 0.490 19542 88 1 1 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.982 0.719 19542 89 1 1 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.158 2.026 19542 90 1 1 . 1 1 20 20 TYR H H 20 8.871 8.871 9.148 -0.277 19542 91 1 1 . 1 1 21 21 HIS N N 21 122.079 122.079 124.413 -2.334 19542 92 1 1 . 1 1 21 21 HIS HA H 21 5.283 5.283 5.104 0.179 19542 93 1 1 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.267 0.446 19542 94 1 1 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.620 0.099 19542 95 1 1 . 1 1 21 21 HIS H H 21 8.797 8.797 9.259 -0.462 19542 96 1 1 . 1 1 22 22 ASN N N 22 128.444 128.444 127.683 0.761 19542 97 1 1 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.222 0.624 19542 98 1 1 . 1 1 22 22 ASN CA C 22 52.512 52.512 51.660 0.852 19542 99 1 1 . 1 1 22 22 ASN CB C 22 40.821 40.821 41.332 -0.511 19542 100 1 1 . 1 1 22 22 ASN H H 22 9.823 9.823 8.949 0.874 19542 101 1 1 . 1 1 23 23 THR N N 23 116.691 116.691 115.480 1.211 19542 102 1 1 . 1 1 23 23 THR HA H 23 4.604 4.604 4.148 0.456 19542 103 1 1 . 1 1 23 23 THR CA C 23 57.003 57.003 62.819 -5.816 19542 104 1 1 . 1 1 23 23 THR CB C 23 69.344 69.344 69.363 -0.019 19542 105 1 1 . 1 1 23 23 THR H H 23 8.561 8.561 8.634 -0.073 19542 106 1 1 . 1 1 24 24 GLY N N 24 110.763 110.763 112.105 -1.342 19542 107 1 1 . 1 1 24 24 GLY CA C 24 44.993 44.993 45.082 -0.089 19542 108 1 1 . 1 1 24 24 GLY H H 24 8.608 8.608 8.582 0.026 19542 109 1 1 . 1 1 25 25 MET N N 25 120.520 120.520 121.442 -0.922 19542 110 1 1 . 1 1 25 25 MET HA H 25 4.818 4.818 4.777 0.041 19542 111 1 1 . 1 1 25 25 MET CA C 25 53.892 53.892 51.568 2.325 19542 112 1 1 . 1 1 25 25 MET CB C 25 32.399 32.399 32.788 -0.390 19542 113 1 1 . 1 1 25 25 MET H H 25 8.418 8.418 8.273 0.145 19542 114 1 1 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.390 -0.013 19542 115 1 1 . 1 1 26 26 PRO CA C 26 63.841 63.841 63.263 0.578 19542 116 1 1 . 1 1 26 26 PRO CB C 26 31.750 31.750 30.500 1.250 19542 117 1 1 . 1 1 27 27 PHE N N 27 118.056 118.056 123.480 -5.424 19542 118 1 1 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.751 -0.126 19542 119 1 1 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.749 0.583 19542 120 1 1 . 1 1 27 27 PHE CB C 27 39.701 39.701 42.819 -3.118 19542 121 1 1 . 1 1 27 27 PHE H H 27 7.988 7.988 7.877 0.111 19542 122 1 1 . 1 1 28 28 ARG N N 28 121.294 121.294 122.775 -1.481 19542 123 1 1 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.542 -0.483 19542 124 1 1 . 1 1 28 28 ARG CA C 28 57.142 57.142 56.091 1.051 19542 125 1 1 . 1 1 28 28 ARG CB C 28 29.711 29.711 30.933 -1.222 19542 126 1 1 . 1 1 28 28 ARG H H 28 8.333 8.333 8.800 -0.467 19542 127 1 1 . 1 1 29 29 ASN N N 29 116.243 116.243 117.014 -0.771 19542 128 1 1 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.435 0.161 19542 129 1 1 . 1 1 29 29 ASN CA C 29 53.795 53.795 53.912 -0.117 19542 130 1 1 . 1 1 29 29 ASN CB C 29 38.239 38.239 38.285 -0.046 19542 131 1 1 . 1 1 29 29 ASN H H 29 8.356 8.356 8.809 -0.453 19542 132 1 1 . 1 1 30 30 LEU N N 30 121.660 121.660 121.110 0.550 19542 133 1 1 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.575 -0.130 19542 134 1 1 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.666 0.537 19542 135 1 1 . 1 1 30 30 LEU CB C 30 42.982 42.982 42.842 0.140 19542 136 1 1 . 1 1 30 30 LEU H H 30 8.028 8.028 7.810 0.218 19542 137 1 1 . 1 1 31 31 LYS N N 31 120.928 120.928 128.652 -7.724 19542 138 1 1 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.551 -0.173 19542 139 1 1 . 1 1 31 31 LYS CA C 31 56.271 56.271 55.665 0.606 19542 140 1 1 . 1 1 31 31 LYS CB C 31 32.230 32.230 31.623 0.607 19542 141 1 1 . 1 1 31 31 LYS H H 31 8.306 8.306 8.601 -0.295 19542 142 1 1 . 1 1 32 32 LEU N N 32 122.843 122.843 124.881 -2.038 19542 143 1 1 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.593 -0.147 19542 144 1 1 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.048 0.436 19542 145 1 1 . 1 1 32 32 LEU CB C 32 43.404 43.404 43.883 -0.479 19542 146 1 1 . 1 1 32 32 LEU H H 32 8.027 8.027 8.260 -0.233 19542 147 1 1 . 1 1 33 33 ILE N N 33 123.311 123.311 123.191 0.120 19542 148 1 1 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.374 0.009 19542 149 1 1 . 1 1 33 33 ILE CA C 33 60.595 60.595 60.209 0.386 19542 150 1 1 . 1 1 33 33 ILE CB C 33 38.303 38.303 38.421 -0.118 19542 151 1 1 . 1 1 33 33 ILE H H 33 8.327 8.327 8.506 -0.179 19542 152 1 1 . 1 1 34 34 LEU N N 34 128.669 128.669 129.596 -0.927 19542 153 1 1 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.782 0.012 19542 154 1 1 . 1 1 34 34 LEU CB C 34 42.873 42.873 41.506 1.367 19542 155 1 1 . 1 1 34 34 LEU H H 34 8.880 8.880 9.007 -0.127 19542 156 1 1 . 1 1 35 35 GLN N N 35 121.600 121.600 120.503 1.097 19542 157 1 1 . 1 1 35 35 GLN HA H 35 4.588 4.588 5.314 -0.726 19542 158 1 1 . 1 1 35 35 GLN CA C 35 61.390 61.390 54.487 6.903 19542 159 1 1 . 1 1 35 35 GLN CB C 35 33.866 33.866 31.999 1.867 19542 160 1 1 . 1 1 35 35 GLN H H 35 8.210 8.210 8.088 0.122 19542 161 1 1 . 1 1 36 36 GLY N N 36 106.726 106.726 109.658 -2.932 19542 162 1 1 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.512 2.366 19542 163 1 1 . 1 1 36 36 GLY H H 36 6.121 6.121 7.137 -1.016 19542 164 1 1 . 1 1 37 37 CYS N N 37 124.584 124.584 118.180 6.404 19542 165 1 1 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.196 0.678 19542 166 1 1 . 1 1 37 37 CYS CA C 37 55.955 55.955 58.226 -2.271 19542 167 1 1 . 1 1 37 37 CYS CB C 37 48.202 48.202 30.937 17.265 19542 168 1 1 . 1 1 37 37 CYS H H 37 8.505 8.505 8.639 -0.134 19542 169 1 1 . 1 1 38 38 SER N N 38 115.036 115.036 117.419 -2.383 19542 170 1 1 . 1 1 38 38 SER HA H 38 4.980 4.980 5.031 -0.051 19542 171 1 1 . 1 1 38 38 SER CA C 38 58.792 58.792 56.711 2.081 19542 172 1 1 . 1 1 38 38 SER CB C 38 65.971 65.971 66.004 -0.033 19542 173 1 1 . 1 1 38 38 SER H H 38 9.749 9.749 9.345 0.404 19542 174 1 1 . 1 1 39 39 SER N N 39 117.276 117.276 120.453 -3.177 19542 175 1 1 . 1 1 39 39 SER HA H 39 4.827 4.827 4.937 -0.110 19542 176 1 1 . 1 1 39 39 SER CA C 39 60.040 60.040 59.553 0.487 19542 177 1 1 . 1 1 39 39 SER CB C 39 63.784 63.784 63.807 -0.023 19542 178 1 1 . 1 1 39 39 SER H H 39 9.161 9.161 8.998 0.163 19542 179 1 1 . 1 1 40 40 SER N N 40 115.041 115.041 116.486 -1.445 19542 180 1 1 . 1 1 40 40 SER HA H 40 4.660 4.660 4.701 -0.041 19542 181 1 1 . 1 1 40 40 SER CA C 40 55.868 55.868 56.896 -1.028 19542 182 1 1 . 1 1 40 40 SER CB C 40 64.868 64.868 63.596 1.272 19542 183 1 1 . 1 1 40 40 SER H H 40 7.911 7.911 7.629 0.282 19542 184 1 1 . 1 1 41 41 CYS N N 41 124.146 124.146 122.996 1.150 19542 185 1 1 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.441 -0.133 19542 186 1 1 . 1 1 41 41 CYS CA C 41 57.567 57.567 58.296 -0.729 19542 187 1 1 . 1 1 41 41 CYS CB C 41 40.000 40.000 28.285 11.715 19542 188 1 1 . 1 1 41 41 CYS H H 41 8.067 8.067 8.175 -0.108 19542 189 1 1 . 1 1 42 42 SER N N 42 118.590 118.590 118.355 0.235 19542 190 1 1 . 1 1 42 42 SER HA H 42 4.611 4.611 4.437 0.174 19542 191 1 1 . 1 1 42 42 SER CA C 42 59.020 59.020 56.940 2.080 19542 192 1 1 . 1 1 42 42 SER CB C 42 64.112 64.112 63.883 0.229 19542 193 1 1 . 1 1 42 42 SER H H 42 8.491 8.491 8.423 0.068 19542 194 1 1 . 1 1 43 43 GLU N N 43 118.830 118.830 128.972 -10.142 19542 195 1 1 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.157 0.492 19542 196 1 1 . 1 1 43 43 GLU CA C 43 56.856 56.856 57.118 -0.262 19542 197 1 1 . 1 1 43 43 GLU CB C 43 29.206 29.206 29.258 -0.052 19542 198 1 1 . 1 1 43 43 GLU H H 43 8.861 8.861 8.765 0.096 19542 199 1 1 . 1 1 44 44 THR N N 44 117.954 117.954 116.950 1.004 19542 200 1 1 . 1 1 44 44 THR HA H 44 4.619 4.619 4.715 -0.096 19542 201 1 1 . 1 1 44 44 THR CB C 44 72.341 72.341 71.164 1.177 19542 202 1 1 . 1 1 44 44 THR H H 44 9.030 9.030 8.762 0.268 19542 203 1 1 . 1 1 45 45 GLU N N 45 127.100 127.100 119.675 7.425 19542 204 1 1 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.358 -0.264 19542 205 1 1 . 1 1 45 45 GLU CA C 45 58.934 58.934 56.901 2.034 19542 206 1 1 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.675 -2.666 19542 207 1 1 . 1 1 45 45 GLU H H 45 8.837 8.837 8.607 0.230 19542 208 1 1 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.531 0.371 19542 209 1 1 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.589 -1.345 19542 210 1 1 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.208 0.846 19542 211 1 1 . 1 1 46 46 ASN H H 46 8.018 8.018 8.067 -0.049 19542 212 1 1 . 1 1 47 47 ASN N N 47 120.765 120.765 118.543 2.222 19542 213 1 1 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.347 0.015 19542 214 1 1 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.374 1.605 19542 215 1 1 . 1 1 47 47 ASN CB C 47 41.749 41.749 40.896 0.853 19542 216 1 1 . 1 1 47 47 ASN H H 47 7.835 7.835 8.273 -0.438 19542 217 1 1 . 1 1 48 48 LYS N N 48 123.576 123.576 125.960 -2.384 19542 218 1 1 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.903 -0.061 19542 219 1 1 . 1 1 48 48 LYS CB C 48 34.398 34.398 34.908 -0.510 19542 220 1 1 . 1 1 48 48 LYS H H 48 8.548 8.548 8.984 -0.436 19542 221 1 1 . 1 1 49 49 CYS N N 49 116.141 116.141 119.818 -3.677 19542 222 1 1 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.560 -0.007 19542 223 1 1 . 1 1 49 49 CYS CA C 49 53.386 53.386 57.940 -4.554 19542 224 1 1 . 1 1 49 49 CYS CB C 49 44.935 44.935 27.649 17.286 19542 225 1 1 . 1 1 49 49 CYS H H 49 8.873 8.873 8.708 0.165 19542 226 1 1 . 1 1 50 50 CYS N N 50 118.484 118.484 123.616 -5.132 19542 227 1 1 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.986 0.279 19542 228 1 1 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.218 -1.235 19542 229 1 1 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.173 15.938 19542 230 1 1 . 1 1 50 50 CYS H H 50 9.389 9.389 9.433 -0.044 19542 231 1 1 . 1 1 51 51 SER N N 51 115.213 115.213 116.030 -0.817 19542 232 1 1 . 1 1 51 51 SER HA H 51 5.016 5.016 4.807 0.209 19542 233 1 1 . 1 1 51 51 SER CA C 51 58.118 58.118 58.141 -0.023 19542 234 1 1 . 1 1 51 51 SER CB C 51 64.457 64.457 63.456 1.001 19542 235 1 1 . 1 1 51 51 SER H H 51 9.290 9.290 8.617 0.673 19542 236 1 1 . 1 1 52 52 THR N N 52 112.156 112.156 118.234 -6.078 19542 237 1 1 . 1 1 52 52 THR HA H 52 4.692 4.692 4.449 0.243 19542 238 1 1 . 1 1 52 52 THR CA C 52 59.835 59.835 61.371 -1.536 19542 239 1 1 . 1 1 52 52 THR CB C 52 71.872 71.872 71.485 0.387 19542 240 1 1 . 1 1 52 52 THR H H 52 7.624 7.624 7.399 0.225 19542 241 1 1 . 1 1 53 53 ASP N N 53 119.869 119.869 121.755 -1.886 19542 242 1 1 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.423 0.547 19542 243 1 1 . 1 1 53 53 ASP CA C 53 55.485 55.485 55.019 0.466 19542 244 1 1 . 1 1 53 53 ASP CB C 53 40.722 40.722 41.019 -0.297 19542 245 1 1 . 1 1 53 53 ASP H H 53 8.410 8.410 8.606 -0.196 19542 246 1 1 . 1 1 54 54 ARG N N 54 111.677 111.677 117.206 -5.529 19542 247 1 1 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.626 -0.441 19542 248 1 1 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.608 0.354 19542 249 1 1 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.447 0.982 19542 250 1 1 . 1 1 54 54 ARG H H 54 9.306 9.306 8.903 0.403 19542 251 1 1 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.389 0.172 19542 252 1 1 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.794 -1.980 19542 253 1 1 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.540 18.696 19542 254 1 1 . 1 1 55 55 CYS H H 55 7.995 7.995 7.834 0.161 19542 255 1 1 . 1 1 56 56 ASN N N 56 121.881 121.881 119.607 2.274 19542 256 1 1 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.618 0.192 19542 257 1 1 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.678 -0.312 19542 258 1 1 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.355 1.482 19542 259 1 1 . 1 1 56 56 ASN H H 56 8.755 8.755 8.652 0.103 19542 260 1 2 . 1 1 2 2 LYS N N 2 126.352 126.352 120.883 5.469 19542 261 1 2 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.172 0.218 19542 262 1 2 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.800 -0.398 19542 263 1 2 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.515 -3.781 19542 264 1 2 . 1 1 2 2 LYS H H 2 8.381 8.381 8.316 0.065 19542 265 1 2 . 1 1 3 3 CYS N N 3 117.974 117.974 120.397 -2.423 19542 266 1 2 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.734 0.225 19542 267 1 2 . 1 1 3 3 CYS CA C 3 51.272 51.272 57.609 -6.337 19542 268 1 2 . 1 1 3 3 CYS CB C 3 42.039 42.039 31.738 10.301 19542 269 1 2 . 1 1 3 3 CYS H H 3 8.394 8.394 8.903 -0.509 19542 270 1 2 . 1 1 4 4 PHE N N 4 120.016 120.016 120.911 -0.895 19542 271 1 2 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.941 -0.335 19542 272 1 2 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.139 2.580 19542 273 1 2 . 1 1 4 4 PHE H H 4 9.550 9.550 9.397 0.153 19542 274 1 2 . 1 1 5 5 GLN N N 5 120.517 120.517 124.299 -3.782 19542 275 1 2 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.375 0.047 19542 276 1 2 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.805 -1.802 19542 277 1 2 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.562 3.032 19542 278 1 2 . 1 1 5 5 GLN H H 5 9.406 9.406 8.061 1.345 19542 279 1 2 . 1 1 6 6 HIS N N 6 118.478 118.478 116.579 1.899 19542 280 1 2 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.637 -0.159 19542 281 1 2 . 1 1 6 6 HIS CA C 6 56.627 56.627 55.839 0.788 19542 282 1 2 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.517 -2.541 19542 283 1 2 . 1 1 6 6 HIS H H 6 8.827 8.827 7.793 1.034 19542 284 1 2 . 1 1 7 7 GLY N N 7 103.072 103.072 107.844 -4.772 19542 285 1 2 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.349 0.575 19542 286 1 2 . 1 1 7 7 GLY H H 7 8.440 8.440 8.571 -0.131 19542 287 1 2 . 1 1 8 8 LYS N N 8 119.909 119.909 120.946 -1.037 19542 288 1 2 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.822 0.006 19542 289 1 2 . 1 1 8 8 LYS CB C 8 35.493 35.493 34.068 1.425 19542 290 1 2 . 1 1 8 8 LYS H H 8 7.703 7.703 7.957 -0.254 19542 291 1 2 . 1 1 9 9 VAL N N 9 122.232 122.232 125.186 -2.954 19542 292 1 2 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.915 -0.103 19542 293 1 2 . 1 1 9 9 VAL CA C 9 63.286 63.286 61.902 1.384 19542 294 1 2 . 1 1 9 9 VAL CB C 9 26.812 26.812 31.435 -4.623 19542 295 1 2 . 1 1 9 9 VAL H H 9 8.552 8.552 8.578 -0.026 19542 296 1 2 . 1 1 10 10 VAL N N 10 123.963 123.963 125.219 -1.256 19542 297 1 2 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.632 -0.026 19542 298 1 2 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.403 0.989 19542 299 1 2 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.314 -0.532 19542 300 1 2 . 1 1 10 10 VAL H H 10 8.920 8.920 8.780 0.140 19542 301 1 2 . 1 1 11 11 THR N N 11 118.572 118.572 118.845 -0.273 19542 302 1 2 . 1 1 11 11 THR HA H 11 4.443 4.443 4.190 0.253 19542 303 1 2 . 1 1 11 11 THR CA C 11 62.719 62.719 63.961 -1.242 19542 304 1 2 . 1 1 11 11 THR CB C 11 68.689 68.689 68.538 0.151 19542 305 1 2 . 1 1 11 11 THR H H 11 8.517 8.517 8.188 0.329 19542 306 1 2 . 1 1 12 12 CYS N N 12 126.835 126.835 126.325 0.510 19542 307 1 2 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.517 0.154 19542 308 1 2 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.346 -5.310 19542 309 1 2 . 1 1 12 12 CYS CB C 12 38.892 38.892 28.089 10.803 19542 310 1 2 . 1 1 12 12 CYS H H 12 8.970 8.970 8.444 0.526 19542 311 1 2 . 1 1 13 13 HIS N N 13 121.091 121.091 121.556 -0.465 19542 312 1 2 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.535 0.114 19542 313 1 2 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.468 -1.970 19542 314 1 2 . 1 1 13 13 HIS H H 13 9.015 9.015 8.537 0.478 19542 315 1 2 . 1 1 14 14 ARG N N 14 120.872 120.872 122.229 -1.357 19542 316 1 2 . 1 1 14 14 ARG HA H 14 4.043 4.043 4.051 -0.008 19542 317 1 2 . 1 1 14 14 ARG CA C 14 58.962 58.962 58.077 0.886 19542 318 1 2 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.550 0.464 19542 319 1 2 . 1 1 14 14 ARG H H 14 8.689 8.689 8.180 0.509 19542 320 1 2 . 1 1 15 15 ASP N N 15 121.233 121.233 118.963 2.270 19542 321 1 2 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.679 -0.176 19542 322 1 2 . 1 1 15 15 ASP CA C 15 54.306 54.306 55.825 -1.519 19542 323 1 2 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.631 -2.524 19542 324 1 2 . 1 1 15 15 ASP H H 15 8.907 8.907 7.767 1.140 19542 325 1 2 . 1 1 16 16 MET N N 16 119.073 119.073 119.181 -0.108 19542 326 1 2 . 1 1 16 16 MET HA H 16 4.415 4.415 4.593 -0.178 19542 327 1 2 . 1 1 16 16 MET CA C 16 55.995 55.995 54.897 1.098 19542 328 1 2 . 1 1 16 16 MET CB C 16 32.662 32.662 31.293 1.369 19542 329 1 2 . 1 1 16 16 MET H H 16 7.811 7.811 7.833 -0.022 19542 330 1 2 . 1 1 17 17 LYS N N 17 120.187 120.187 123.641 -3.454 19542 331 1 2 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.212 0.055 19542 332 1 2 . 1 1 17 17 LYS CA C 17 55.889 55.889 56.753 -0.864 19542 333 1 2 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.965 0.141 19542 334 1 2 . 1 1 17 17 LYS H H 17 7.763 7.763 8.206 -0.443 19542 335 1 2 . 1 1 18 18 PHE N N 18 115.631 115.631 116.656 -1.025 19542 336 1 2 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.228 -0.115 19542 337 1 2 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.257 0.714 19542 338 1 2 . 1 1 18 18 PHE CB C 18 43.018 43.018 43.115 -0.097 19542 339 1 2 . 1 1 18 18 PHE H H 18 8.252 8.252 8.329 -0.077 19542 340 1 2 . 1 1 19 19 CYS N N 19 115.508 115.508 120.196 -4.688 19542 341 1 2 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.301 0.702 19542 342 1 2 . 1 1 19 19 CYS CA C 19 52.258 52.258 57.846 -5.588 19542 343 1 2 . 1 1 19 19 CYS CB C 19 38.627 38.627 27.576 11.052 19542 344 1 2 . 1 1 19 19 CYS H H 19 9.343 9.343 9.407 -0.064 19542 345 1 2 . 1 1 20 20 TYR N N 20 128.934 128.934 119.026 9.908 19542 346 1 2 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.566 0.641 19542 347 1 2 . 1 1 20 20 TYR CA C 20 55.701 55.701 55.139 0.562 19542 348 1 2 . 1 1 20 20 TYR CB C 20 43.184 43.184 40.900 2.284 19542 349 1 2 . 1 1 20 20 TYR H H 20 8.871 8.871 9.206 -0.335 19542 350 1 2 . 1 1 21 21 HIS N N 21 122.079 122.079 122.676 -0.597 19542 351 1 2 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.912 0.371 19542 352 1 2 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.589 0.124 19542 353 1 2 . 1 1 21 21 HIS CB C 21 31.719 31.719 32.723 -1.004 19542 354 1 2 . 1 1 21 21 HIS H H 21 8.797 8.797 9.281 -0.484 19542 355 1 2 . 1 1 22 22 ASN N N 22 128.444 128.444 126.895 1.549 19542 356 1 2 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.194 0.652 19542 357 1 2 . 1 1 22 22 ASN CA C 22 52.512 52.512 51.714 0.798 19542 358 1 2 . 1 1 22 22 ASN CB C 22 40.821 40.821 41.143 -0.322 19542 359 1 2 . 1 1 22 22 ASN H H 22 9.823 9.823 8.744 1.079 19542 360 1 2 . 1 1 23 23 THR N N 23 116.691 116.691 119.756 -3.065 19542 361 1 2 . 1 1 23 23 THR HA H 23 4.604 4.604 4.455 0.149 19542 362 1 2 . 1 1 23 23 THR CA C 23 57.003 57.003 61.052 -4.049 19542 363 1 2 . 1 1 23 23 THR CB C 23 69.344 69.344 67.704 1.640 19542 364 1 2 . 1 1 23 23 THR H H 23 8.561 8.561 8.578 -0.017 19542 365 1 2 . 1 1 24 24 GLY N N 24 110.763 110.763 112.541 -1.778 19542 366 1 2 . 1 1 24 24 GLY CA C 24 44.993 44.993 44.537 0.456 19542 367 1 2 . 1 1 24 24 GLY H H 24 8.608 8.608 7.697 0.911 19542 368 1 2 . 1 1 25 25 MET N N 25 120.520 120.520 122.713 -2.193 19542 369 1 2 . 1 1 25 25 MET HA H 25 4.818 4.818 4.258 0.560 19542 370 1 2 . 1 1 25 25 MET CA C 25 53.892 53.892 53.072 0.820 19542 371 1 2 . 1 1 25 25 MET CB C 25 32.399 32.399 31.578 0.821 19542 372 1 2 . 1 1 25 25 MET H H 25 8.418 8.418 8.440 -0.022 19542 373 1 2 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.417 -0.040 19542 374 1 2 . 1 1 26 26 PRO CA C 26 63.841 63.841 62.912 0.929 19542 375 1 2 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.331 0.419 19542 376 1 2 . 1 1 27 27 PHE N N 27 118.056 118.056 124.782 -6.726 19542 377 1 2 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.697 -0.072 19542 378 1 2 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.400 0.932 19542 379 1 2 . 1 1 27 27 PHE CB C 27 39.701 39.701 41.546 -1.845 19542 380 1 2 . 1 1 27 27 PHE H H 27 7.988 7.988 8.073 -0.085 19542 381 1 2 . 1 1 28 28 ARG N N 28 121.294 121.294 124.186 -2.892 19542 382 1 2 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.168 -0.109 19542 383 1 2 . 1 1 28 28 ARG CA C 28 57.142 57.142 56.975 0.167 19542 384 1 2 . 1 1 28 28 ARG CB C 28 29.711 29.711 28.831 0.880 19542 385 1 2 . 1 1 28 28 ARG H H 28 8.333 8.333 9.029 -0.696 19542 386 1 2 . 1 1 29 29 ASN N N 29 116.243 116.243 117.487 -1.244 19542 387 1 2 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.350 0.246 19542 388 1 2 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.358 -0.563 19542 389 1 2 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.872 0.367 19542 390 1 2 . 1 1 29 29 ASN H H 29 8.356 8.356 8.961 -0.605 19542 391 1 2 . 1 1 30 30 LEU N N 30 121.660 121.660 119.940 1.720 19542 392 1 2 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.629 -0.184 19542 393 1 2 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.765 0.438 19542 394 1 2 . 1 1 30 30 LEU CB C 30 42.982 42.982 43.489 -0.507 19542 395 1 2 . 1 1 30 30 LEU H H 30 8.028 8.028 7.859 0.169 19542 396 1 2 . 1 1 31 31 LYS N N 31 120.928 120.928 126.640 -5.712 19542 397 1 2 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.487 -0.109 19542 398 1 2 . 1 1 31 31 LYS CA C 31 56.271 56.271 54.676 1.595 19542 399 1 2 . 1 1 31 31 LYS CB C 31 32.230 32.230 32.133 0.097 19542 400 1 2 . 1 1 31 31 LYS H H 31 8.306 8.306 8.281 0.025 19542 401 1 2 . 1 1 32 32 LEU N N 32 122.843 122.843 129.122 -6.279 19542 402 1 2 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.503 -0.057 19542 403 1 2 . 1 1 32 32 LEU CA C 32 54.484 54.484 55.085 -0.601 19542 404 1 2 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.688 0.716 19542 405 1 2 . 1 1 32 32 LEU H H 32 8.027 8.027 8.703 -0.676 19542 406 1 2 . 1 1 33 33 ILE N N 33 123.311 123.311 127.353 -4.042 19542 407 1 2 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.364 0.019 19542 408 1 2 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.429 1.166 19542 409 1 2 . 1 1 33 33 ILE CB C 33 38.303 38.303 38.447 -0.144 19542 410 1 2 . 1 1 33 33 ILE H H 33 8.327 8.327 7.858 0.469 19542 411 1 2 . 1 1 34 34 LEU N N 34 128.669 128.669 126.139 2.530 19542 412 1 2 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.366 0.428 19542 413 1 2 . 1 1 34 34 LEU CB C 34 42.873 42.873 42.886 -0.013 19542 414 1 2 . 1 1 34 34 LEU H H 34 8.880 8.880 8.518 0.362 19542 415 1 2 . 1 1 35 35 GLN N N 35 121.600 121.600 115.736 5.864 19542 416 1 2 . 1 1 35 35 GLN HA H 35 4.588 4.588 4.078 0.510 19542 417 1 2 . 1 1 35 35 GLN CA C 35 61.390 61.390 56.281 5.109 19542 418 1 2 . 1 1 35 35 GLN CB C 35 33.866 33.866 26.944 6.922 19542 419 1 2 . 1 1 35 35 GLN H H 35 8.210 8.210 8.016 0.194 19542 420 1 2 . 1 1 36 36 GLY N N 36 106.726 106.726 106.310 0.416 19542 421 1 2 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.661 2.217 19542 422 1 2 . 1 1 36 36 GLY H H 36 6.121 6.121 6.765 -0.644 19542 423 1 2 . 1 1 37 37 CYS N N 37 124.584 124.584 118.241 6.343 19542 424 1 2 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.421 0.453 19542 425 1 2 . 1 1 37 37 CYS CA C 37 55.955 55.955 57.443 -1.488 19542 426 1 2 . 1 1 37 37 CYS CB C 37 48.202 48.202 29.242 18.959 19542 427 1 2 . 1 1 37 37 CYS H H 37 8.505 8.505 8.602 -0.097 19542 428 1 2 . 1 1 38 38 SER N N 38 115.036 115.036 117.256 -2.220 19542 429 1 2 . 1 1 38 38 SER HA H 38 4.980 4.980 5.007 -0.027 19542 430 1 2 . 1 1 38 38 SER CA C 38 58.792 58.792 56.498 2.294 19542 431 1 2 . 1 1 38 38 SER CB C 38 65.971 65.971 65.120 0.851 19542 432 1 2 . 1 1 38 38 SER H H 38 9.749 9.749 9.300 0.449 19542 433 1 2 . 1 1 39 39 SER N N 39 117.276 117.276 118.907 -1.631 19542 434 1 2 . 1 1 39 39 SER HA H 39 4.827 4.827 5.093 -0.266 19542 435 1 2 . 1 1 39 39 SER CA C 39 60.040 60.040 58.413 1.627 19542 436 1 2 . 1 1 39 39 SER CB C 39 63.784 63.784 63.690 0.094 19542 437 1 2 . 1 1 39 39 SER H H 39 9.161 9.161 8.778 0.383 19542 438 1 2 . 1 1 40 40 SER N N 40 115.041 115.041 115.344 -0.303 19542 439 1 2 . 1 1 40 40 SER HA H 40 4.660 4.660 4.770 -0.110 19542 440 1 2 . 1 1 40 40 SER CA C 40 55.868 55.868 57.012 -1.144 19542 441 1 2 . 1 1 40 40 SER CB C 40 64.868 64.868 65.872 -1.004 19542 442 1 2 . 1 1 40 40 SER H H 40 7.911 7.911 7.746 0.165 19542 443 1 2 . 1 1 41 41 CYS N N 41 124.146 124.146 120.980 3.166 19542 444 1 2 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.338 -0.029 19542 445 1 2 . 1 1 41 41 CYS CA C 41 57.567 57.567 57.179 0.388 19542 446 1 2 . 1 1 41 41 CYS CB C 41 40.000 40.000 26.921 13.079 19542 447 1 2 . 1 1 41 41 CYS H H 41 8.067 8.067 8.281 -0.214 19542 448 1 2 . 1 1 42 42 SER N N 42 118.590 118.590 120.893 -2.303 19542 449 1 2 . 1 1 42 42 SER HA H 42 4.611 4.611 4.380 0.231 19542 450 1 2 . 1 1 42 42 SER CA C 42 59.020 59.020 57.834 1.186 19542 451 1 2 . 1 1 42 42 SER CB C 42 64.112 64.112 63.583 0.529 19542 452 1 2 . 1 1 42 42 SER H H 42 8.491 8.491 8.594 -0.103 19542 453 1 2 . 1 1 43 43 GLU N N 43 118.830 118.830 127.591 -8.761 19542 454 1 2 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.531 0.118 19542 455 1 2 . 1 1 43 43 GLU CA C 43 56.856 56.856 55.080 1.776 19542 456 1 2 . 1 1 43 43 GLU CB C 43 29.206 29.206 27.918 1.288 19542 457 1 2 . 1 1 43 43 GLU H H 43 8.861 8.861 8.806 0.055 19542 458 1 2 . 1 1 44 44 THR N N 44 117.954 117.954 113.254 4.700 19542 459 1 2 . 1 1 44 44 THR HA H 44 4.619 4.619 4.511 0.108 19542 460 1 2 . 1 1 44 44 THR CB C 44 72.341 72.341 71.131 1.210 19542 461 1 2 . 1 1 44 44 THR H H 44 9.030 9.030 7.594 1.436 19542 462 1 2 . 1 1 45 45 GLU N N 45 127.100 127.100 119.068 8.032 19542 463 1 2 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.133 -0.039 19542 464 1 2 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.333 0.601 19542 465 1 2 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.517 -2.508 19542 466 1 2 . 1 1 45 45 GLU H H 45 8.837 8.837 8.622 0.215 19542 467 1 2 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.497 0.405 19542 468 1 2 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.484 -1.240 19542 469 1 2 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.080 0.973 19542 470 1 2 . 1 1 46 46 ASN H H 46 8.018 8.018 7.936 0.082 19542 471 1 2 . 1 1 47 47 ASN N N 47 120.765 120.765 118.891 1.874 19542 472 1 2 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.370 -0.008 19542 473 1 2 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.701 1.278 19542 474 1 2 . 1 1 47 47 ASN CB C 47 41.749 41.749 40.640 1.109 19542 475 1 2 . 1 1 47 47 ASN H H 47 7.835 7.835 7.933 -0.098 19542 476 1 2 . 1 1 48 48 LYS N N 48 123.576 123.576 125.365 -1.789 19542 477 1 2 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.933 -0.091 19542 478 1 2 . 1 1 48 48 LYS CB C 48 34.398 34.398 36.262 -1.864 19542 479 1 2 . 1 1 48 48 LYS H H 48 8.548 8.548 9.134 -0.586 19542 480 1 2 . 1 1 49 49 CYS N N 49 116.141 116.141 116.629 -0.488 19542 481 1 2 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.846 -0.293 19542 482 1 2 . 1 1 49 49 CYS CA C 49 53.386 53.386 55.601 -2.215 19542 483 1 2 . 1 1 49 49 CYS CB C 49 44.935 44.935 29.492 15.443 19542 484 1 2 . 1 1 49 49 CYS H H 49 8.873 8.873 8.513 0.360 19542 485 1 2 . 1 1 50 50 CYS N N 50 118.484 118.484 119.712 -1.228 19542 486 1 2 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.903 0.362 19542 487 1 2 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.264 -1.281 19542 488 1 2 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.202 15.909 19542 489 1 2 . 1 1 50 50 CYS H H 50 9.389 9.389 9.513 -0.124 19542 490 1 2 . 1 1 51 51 SER N N 51 115.213 115.213 118.530 -3.317 19542 491 1 2 . 1 1 51 51 SER HA H 51 5.016 5.016 4.736 0.280 19542 492 1 2 . 1 1 51 51 SER CA C 51 58.118 58.118 57.870 0.248 19542 493 1 2 . 1 1 51 51 SER CB C 51 64.457 64.457 62.321 2.136 19542 494 1 2 . 1 1 51 51 SER H H 51 9.290 9.290 8.841 0.449 19542 495 1 2 . 1 1 52 52 THR N N 52 112.156 112.156 118.939 -6.783 19542 496 1 2 . 1 1 52 52 THR HA H 52 4.692 4.692 4.512 0.180 19542 497 1 2 . 1 1 52 52 THR CA C 52 59.835 59.835 61.202 -1.367 19542 498 1 2 . 1 1 52 52 THR CB C 52 71.872 71.872 71.594 0.278 19542 499 1 2 . 1 1 52 52 THR H H 52 7.624 7.624 7.686 -0.062 19542 500 1 2 . 1 1 53 53 ASP N N 53 119.869 119.869 121.197 -1.328 19542 501 1 2 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.498 0.472 19542 502 1 2 . 1 1 53 53 ASP CA C 53 55.485 55.485 54.978 0.507 19542 503 1 2 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.915 -0.193 19542 504 1 2 . 1 1 53 53 ASP H H 53 8.410 8.410 8.407 0.003 19542 505 1 2 . 1 1 54 54 ARG N N 54 111.677 111.677 117.573 -5.896 19542 506 1 2 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.562 -0.377 19542 507 1 2 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.517 0.445 19542 508 1 2 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.288 1.141 19542 509 1 2 . 1 1 54 54 ARG H H 54 9.306 9.306 8.940 0.366 19542 510 1 2 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.484 0.077 19542 511 1 2 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.332 -1.518 19542 512 1 2 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.518 18.718 19542 513 1 2 . 1 1 55 55 CYS H H 55 7.995 7.995 7.839 0.156 19542 514 1 2 . 1 1 56 56 ASN N N 56 121.881 121.881 120.117 1.764 19542 515 1 2 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.671 0.139 19542 516 1 2 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.397 -0.031 19542 517 1 2 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.500 1.337 19542 518 1 2 . 1 1 56 56 ASN H H 56 8.755 8.755 8.786 -0.031 19542 519 1 3 . 1 1 2 2 LYS N N 2 126.352 126.352 120.944 5.408 19542 520 1 3 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.276 0.114 19542 521 1 3 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.560 -0.158 19542 522 1 3 . 1 1 2 2 LYS CB C 2 29.734 29.734 32.806 -3.072 19542 523 1 3 . 1 1 2 2 LYS H H 2 8.381 8.381 9.287 -0.906 19542 524 1 3 . 1 1 3 3 CYS N N 3 117.974 117.974 120.977 -3.003 19542 525 1 3 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.519 0.440 19542 526 1 3 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.132 -6.860 19542 527 1 3 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.233 9.806 19542 528 1 3 . 1 1 3 3 CYS H H 3 8.394 8.394 8.799 -0.405 19542 529 1 3 . 1 1 4 4 PHE N N 4 120.016 120.016 120.928 -0.912 19542 530 1 3 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.926 -0.320 19542 531 1 3 . 1 1 4 4 PHE CB C 4 39.719 39.719 36.978 2.741 19542 532 1 3 . 1 1 4 4 PHE H H 4 9.550 9.550 9.151 0.399 19542 533 1 3 . 1 1 5 5 GLN N N 5 120.517 120.517 122.717 -2.200 19542 534 1 3 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.064 0.358 19542 535 1 3 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.899 -1.896 19542 536 1 3 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.582 3.011 19542 537 1 3 . 1 1 5 5 GLN H H 5 9.406 9.406 7.834 1.572 19542 538 1 3 . 1 1 6 6 HIS N N 6 118.478 118.478 115.944 2.534 19542 539 1 3 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.747 -0.269 19542 540 1 3 . 1 1 6 6 HIS CA C 6 56.627 56.627 55.923 0.704 19542 541 1 3 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.103 -2.127 19542 542 1 3 . 1 1 6 6 HIS H H 6 8.827 8.827 7.549 1.278 19542 543 1 3 . 1 1 7 7 GLY N N 7 103.072 103.072 105.817 -2.745 19542 544 1 3 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.517 0.407 19542 545 1 3 . 1 1 7 7 GLY H H 7 8.440 8.440 8.476 -0.036 19542 546 1 3 . 1 1 8 8 LYS N N 8 119.909 119.909 120.793 -0.884 19542 547 1 3 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.856 -0.028 19542 548 1 3 . 1 1 8 8 LYS CB C 8 35.493 35.493 35.123 0.370 19542 549 1 3 . 1 1 8 8 LYS H H 8 7.703 7.703 7.888 -0.185 19542 550 1 3 . 1 1 9 9 VAL N N 9 122.232 122.232 123.193 -0.961 19542 551 1 3 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.823 -0.011 19542 552 1 3 . 1 1 9 9 VAL CA C 9 63.286 63.286 63.033 0.253 19542 553 1 3 . 1 1 9 9 VAL CB C 9 26.812 26.812 31.194 -4.382 19542 554 1 3 . 1 1 9 9 VAL H H 9 8.552 8.552 8.610 -0.058 19542 555 1 3 . 1 1 10 10 VAL N N 10 123.963 123.963 123.277 0.686 19542 556 1 3 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.728 -0.122 19542 557 1 3 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.325 1.067 19542 558 1 3 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.455 -0.673 19542 559 1 3 . 1 1 10 10 VAL H H 10 8.920 8.920 8.769 0.151 19542 560 1 3 . 1 1 11 11 THR N N 11 118.572 118.572 120.325 -1.753 19542 561 1 3 . 1 1 11 11 THR HA H 11 4.443 4.443 4.682 -0.239 19542 562 1 3 . 1 1 11 11 THR CA C 11 62.719 62.719 63.030 -0.311 19542 563 1 3 . 1 1 11 11 THR CB C 11 68.689 68.689 68.723 -0.034 19542 564 1 3 . 1 1 11 11 THR H H 11 8.517 8.517 8.334 0.183 19542 565 1 3 . 1 1 12 12 CYS N N 12 126.835 126.835 126.471 0.364 19542 566 1 3 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.477 0.194 19542 567 1 3 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.647 -5.611 19542 568 1 3 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.788 11.104 19542 569 1 3 . 1 1 12 12 CYS H H 12 8.970 8.970 8.638 0.332 19542 570 1 3 . 1 1 13 13 HIS N N 13 121.091 121.091 121.358 -0.267 19542 571 1 3 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.583 0.066 19542 572 1 3 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.355 -1.857 19542 573 1 3 . 1 1 13 13 HIS H H 13 9.015 9.015 8.484 0.531 19542 574 1 3 . 1 1 14 14 ARG N N 14 120.872 120.872 120.114 0.758 19542 575 1 3 . 1 1 14 14 ARG HA H 14 4.043 4.043 3.953 0.090 19542 576 1 3 . 1 1 14 14 ARG CA C 14 58.962 58.962 58.692 0.270 19542 577 1 3 . 1 1 14 14 ARG CB C 14 30.014 30.014 30.006 0.008 19542 578 1 3 . 1 1 14 14 ARG H H 14 8.689 8.689 7.979 0.710 19542 579 1 3 . 1 1 15 15 ASP N N 15 121.233 121.233 117.678 3.555 19542 580 1 3 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.570 -0.067 19542 581 1 3 . 1 1 15 15 ASP CA C 15 54.306 54.306 56.329 -2.023 19542 582 1 3 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.152 -2.045 19542 583 1 3 . 1 1 15 15 ASP H H 15 8.907 8.907 7.826 1.081 19542 584 1 3 . 1 1 16 16 MET N N 16 119.073 119.073 118.230 0.843 19542 585 1 3 . 1 1 16 16 MET HA H 16 4.415 4.415 4.601 -0.186 19542 586 1 3 . 1 1 16 16 MET CA C 16 55.995 55.995 54.792 1.203 19542 587 1 3 . 1 1 16 16 MET CB C 16 32.662 32.662 31.715 0.947 19542 588 1 3 . 1 1 16 16 MET H H 16 7.811 7.811 7.584 0.227 19542 589 1 3 . 1 1 17 17 LYS N N 17 120.187 120.187 121.339 -1.152 19542 590 1 3 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.222 0.045 19542 591 1 3 . 1 1 17 17 LYS CA C 17 55.889 55.889 57.051 -1.162 19542 592 1 3 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.340 0.766 19542 593 1 3 . 1 1 17 17 LYS H H 17 7.763 7.763 8.203 -0.440 19542 594 1 3 . 1 1 18 18 PHE N N 18 115.631 115.631 117.409 -1.778 19542 595 1 3 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.135 -0.022 19542 596 1 3 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.454 0.517 19542 597 1 3 . 1 1 18 18 PHE CB C 18 43.018 43.018 43.103 -0.085 19542 598 1 3 . 1 1 18 18 PHE H H 18 8.252 8.252 8.186 0.066 19542 599 1 3 . 1 1 19 19 CYS N N 19 115.508 115.508 120.694 -5.186 19542 600 1 3 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.354 0.648 19542 601 1 3 . 1 1 19 19 CYS CA C 19 52.258 52.258 57.734 -5.476 19542 602 1 3 . 1 1 19 19 CYS CB C 19 38.627 38.627 28.286 10.341 19542 603 1 3 . 1 1 19 19 CYS H H 19 9.343 9.343 9.456 -0.113 19542 604 1 3 . 1 1 20 20 TYR N N 20 128.934 128.934 119.131 9.803 19542 605 1 3 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.952 0.255 19542 606 1 3 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.726 0.975 19542 607 1 3 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.169 2.015 19542 608 1 3 . 1 1 20 20 TYR H H 20 8.871 8.871 9.291 -0.420 19542 609 1 3 . 1 1 21 21 HIS N N 21 122.079 122.079 123.053 -0.974 19542 610 1 3 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.858 0.425 19542 611 1 3 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.391 0.322 19542 612 1 3 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.362 0.357 19542 613 1 3 . 1 1 21 21 HIS H H 21 8.797 8.797 9.223 -0.426 19542 614 1 3 . 1 1 22 22 ASN N N 22 128.444 128.444 128.128 0.316 19542 615 1 3 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.373 0.473 19542 616 1 3 . 1 1 22 22 ASN CA C 22 52.512 52.512 52.350 0.162 19542 617 1 3 . 1 1 22 22 ASN CB C 22 40.821 40.821 40.351 0.470 19542 618 1 3 . 1 1 22 22 ASN H H 22 9.823 9.823 8.646 1.177 19542 619 1 3 . 1 1 23 23 THR N N 23 116.691 116.691 117.426 -0.735 19542 620 1 3 . 1 1 23 23 THR HA H 23 4.604 4.604 4.233 0.371 19542 621 1 3 . 1 1 23 23 THR CA C 23 57.003 57.003 62.696 -5.693 19542 622 1 3 . 1 1 23 23 THR CB C 23 69.344 69.344 69.563 -0.219 19542 623 1 3 . 1 1 23 23 THR H H 23 8.561 8.561 8.408 0.153 19542 624 1 3 . 1 1 24 24 GLY N N 24 110.763 110.763 110.273 0.490 19542 625 1 3 . 1 1 24 24 GLY CA C 24 44.993 44.993 45.028 -0.035 19542 626 1 3 . 1 1 24 24 GLY H H 24 8.608 8.608 7.543 1.065 19542 627 1 3 . 1 1 25 25 MET N N 25 120.520 120.520 120.388 0.132 19542 628 1 3 . 1 1 25 25 MET HA H 25 4.818 4.818 4.569 0.249 19542 629 1 3 . 1 1 25 25 MET CA C 25 53.892 53.892 51.211 2.681 19542 630 1 3 . 1 1 25 25 MET CB C 25 32.399 32.399 33.264 -0.865 19542 631 1 3 . 1 1 25 25 MET H H 25 8.418 8.418 7.779 0.639 19542 632 1 3 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.229 0.148 19542 633 1 3 . 1 1 26 26 PRO CA C 26 63.841 63.841 62.946 0.895 19542 634 1 3 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.104 0.646 19542 635 1 3 . 1 1 27 27 PHE N N 27 118.056 118.056 124.123 -6.067 19542 636 1 3 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.778 -0.153 19542 637 1 3 . 1 1 27 27 PHE CA C 27 57.332 57.332 55.814 1.518 19542 638 1 3 . 1 1 27 27 PHE CB C 27 39.701 39.701 41.702 -2.001 19542 639 1 3 . 1 1 27 27 PHE H H 27 7.988 7.988 7.901 0.087 19542 640 1 3 . 1 1 28 28 ARG N N 28 121.294 121.294 122.706 -1.412 19542 641 1 3 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.226 -0.167 19542 642 1 3 . 1 1 28 28 ARG CA C 28 57.142 57.142 56.876 0.266 19542 643 1 3 . 1 1 28 28 ARG CB C 28 29.711 29.711 29.136 0.575 19542 644 1 3 . 1 1 28 28 ARG H H 28 8.333 8.333 9.063 -0.730 19542 645 1 3 . 1 1 29 29 ASN N N 29 116.243 116.243 115.444 0.799 19542 646 1 3 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.336 0.260 19542 647 1 3 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.083 -0.288 19542 648 1 3 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.983 0.256 19542 649 1 3 . 1 1 29 29 ASN H H 29 8.356 8.356 8.932 -0.576 19542 650 1 3 . 1 1 30 30 LEU N N 30 121.660 121.660 120.193 1.467 19542 651 1 3 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.673 -0.228 19542 652 1 3 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.415 0.788 19542 653 1 3 . 1 1 30 30 LEU CB C 30 42.982 42.982 43.752 -0.770 19542 654 1 3 . 1 1 30 30 LEU H H 30 8.028 8.028 7.595 0.433 19542 655 1 3 . 1 1 31 31 LYS N N 31 120.928 120.928 127.174 -6.246 19542 656 1 3 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.488 -0.110 19542 657 1 3 . 1 1 31 31 LYS CA C 31 56.271 56.271 55.332 0.939 19542 658 1 3 . 1 1 31 31 LYS CB C 31 32.230 32.230 32.542 -0.312 19542 659 1 3 . 1 1 31 31 LYS H H 31 8.306 8.306 8.565 -0.259 19542 660 1 3 . 1 1 32 32 LEU N N 32 122.843 122.843 127.180 -4.337 19542 661 1 3 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.440 0.006 19542 662 1 3 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.855 -0.371 19542 663 1 3 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.586 0.818 19542 664 1 3 . 1 1 32 32 LEU H H 32 8.027 8.027 8.569 -0.542 19542 665 1 3 . 1 1 33 33 ILE N N 33 123.311 123.311 128.050 -4.739 19542 666 1 3 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.454 -0.071 19542 667 1 3 . 1 1 33 33 ILE CA C 33 60.595 60.595 58.800 1.795 19542 668 1 3 . 1 1 33 33 ILE CB C 33 38.303 38.303 39.015 -0.712 19542 669 1 3 . 1 1 33 33 ILE H H 33 8.327 8.327 8.054 0.273 19542 670 1 3 . 1 1 34 34 LEU N N 34 128.669 128.669 128.929 -0.260 19542 671 1 3 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.801 -0.007 19542 672 1 3 . 1 1 34 34 LEU CB C 34 42.873 42.873 42.437 0.436 19542 673 1 3 . 1 1 34 34 LEU H H 34 8.880 8.880 8.373 0.507 19542 674 1 3 . 1 1 35 35 GLN N N 35 121.600 121.600 121.785 -0.185 19542 675 1 3 . 1 1 35 35 GLN HA H 35 4.588 4.588 5.084 -0.496 19542 676 1 3 . 1 1 35 35 GLN CA C 35 61.390 61.390 55.085 6.305 19542 677 1 3 . 1 1 35 35 GLN CB C 35 33.866 33.866 30.475 3.391 19542 678 1 3 . 1 1 35 35 GLN H H 35 8.210 8.210 8.238 -0.028 19542 679 1 3 . 1 1 36 36 GLY N N 36 106.726 106.726 109.720 -2.994 19542 680 1 3 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.394 2.484 19542 681 1 3 . 1 1 36 36 GLY H H 36 6.121 6.121 7.360 -1.239 19542 682 1 3 . 1 1 37 37 CYS N N 37 124.584 124.584 118.793 5.791 19542 683 1 3 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.333 0.541 19542 684 1 3 . 1 1 37 37 CYS CA C 37 55.955 55.955 57.882 -1.927 19542 685 1 3 . 1 1 37 37 CYS CB C 37 48.202 48.202 29.297 18.905 19542 686 1 3 . 1 1 37 37 CYS H H 37 8.505 8.505 8.451 0.054 19542 687 1 3 . 1 1 38 38 SER N N 38 115.036 115.036 118.595 -3.559 19542 688 1 3 . 1 1 38 38 SER HA H 38 4.980 4.980 5.053 -0.073 19542 689 1 3 . 1 1 38 38 SER CA C 38 58.792 58.792 56.934 1.858 19542 690 1 3 . 1 1 38 38 SER CB C 38 65.971 65.971 66.189 -0.218 19542 691 1 3 . 1 1 38 38 SER H H 38 9.749 9.749 9.317 0.432 19542 692 1 3 . 1 1 39 39 SER N N 39 117.276 117.276 119.707 -2.431 19542 693 1 3 . 1 1 39 39 SER HA H 39 4.827 4.827 4.975 -0.148 19542 694 1 3 . 1 1 39 39 SER CA C 39 60.040 60.040 59.479 0.561 19542 695 1 3 . 1 1 39 39 SER CB C 39 63.784 63.784 63.723 0.061 19542 696 1 3 . 1 1 39 39 SER H H 39 9.161 9.161 8.915 0.246 19542 697 1 3 . 1 1 40 40 SER N N 40 115.041 115.041 115.796 -0.755 19542 698 1 3 . 1 1 40 40 SER HA H 40 4.660 4.660 4.855 -0.195 19542 699 1 3 . 1 1 40 40 SER CA C 40 55.868 55.868 57.147 -1.279 19542 700 1 3 . 1 1 40 40 SER CB C 40 64.868 64.868 65.785 -0.917 19542 701 1 3 . 1 1 40 40 SER H H 40 7.911 7.911 7.992 -0.081 19542 702 1 3 . 1 1 41 41 CYS N N 41 124.146 124.146 119.120 5.026 19542 703 1 3 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.424 -0.115 19542 704 1 3 . 1 1 41 41 CYS CA C 41 57.567 57.567 58.562 -0.994 19542 705 1 3 . 1 1 41 41 CYS CB C 41 40.000 40.000 29.094 10.906 19542 706 1 3 . 1 1 41 41 CYS H H 41 8.067 8.067 8.219 -0.152 19542 707 1 3 . 1 1 42 42 SER N N 42 118.590 118.590 123.070 -4.480 19542 708 1 3 . 1 1 42 42 SER HA H 42 4.611 4.611 4.488 0.123 19542 709 1 3 . 1 1 42 42 SER CA C 42 59.020 59.020 57.022 1.998 19542 710 1 3 . 1 1 42 42 SER CB C 42 64.112 64.112 63.290 0.822 19542 711 1 3 . 1 1 42 42 SER H H 42 8.491 8.491 8.521 -0.030 19542 712 1 3 . 1 1 43 43 GLU N N 43 118.830 118.830 126.123 -7.293 19542 713 1 3 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.234 0.415 19542 714 1 3 . 1 1 43 43 GLU CA C 43 56.856 56.856 56.583 0.273 19542 715 1 3 . 1 1 43 43 GLU CB C 43 29.206 29.206 29.324 -0.118 19542 716 1 3 . 1 1 43 43 GLU H H 43 8.861 8.861 8.679 0.182 19542 717 1 3 . 1 1 44 44 THR N N 44 117.954 117.954 117.381 0.573 19542 718 1 3 . 1 1 44 44 THR HA H 44 4.619 4.619 4.553 0.066 19542 719 1 3 . 1 1 44 44 THR CB C 44 72.341 72.341 70.793 1.548 19542 720 1 3 . 1 1 44 44 THR H H 44 9.030 9.030 8.003 1.027 19542 721 1 3 . 1 1 45 45 GLU N N 45 127.100 127.100 118.692 8.408 19542 722 1 3 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.265 -0.171 19542 723 1 3 . 1 1 45 45 GLU CA C 45 58.934 58.934 57.266 1.668 19542 724 1 3 . 1 1 45 45 GLU CB C 45 27.009 27.009 30.032 -3.023 19542 725 1 3 . 1 1 45 45 GLU H H 45 8.837 8.837 8.673 0.164 19542 726 1 3 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.525 0.377 19542 727 1 3 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.520 -1.276 19542 728 1 3 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.287 0.766 19542 729 1 3 . 1 1 46 46 ASN H H 46 8.018 8.018 8.108 -0.090 19542 730 1 3 . 1 1 47 47 ASN N N 47 120.765 120.765 117.417 3.348 19542 731 1 3 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.002 0.360 19542 732 1 3 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.443 1.536 19542 733 1 3 . 1 1 47 47 ASN CB C 47 41.749 41.749 39.482 2.267 19542 734 1 3 . 1 1 47 47 ASN H H 47 7.835 7.835 7.428 0.407 19542 735 1 3 . 1 1 48 48 LYS N N 48 123.576 123.576 128.302 -4.726 19542 736 1 3 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.508 0.334 19542 737 1 3 . 1 1 48 48 LYS CB C 48 34.398 34.398 32.754 1.644 19542 738 1 3 . 1 1 48 48 LYS H H 48 8.548 8.548 8.597 -0.049 19542 739 1 3 . 1 1 49 49 CYS N N 49 116.141 116.141 122.742 -6.601 19542 740 1 3 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.630 -0.077 19542 741 1 3 . 1 1 49 49 CYS CA C 49 53.386 53.386 55.897 -2.511 19542 742 1 3 . 1 1 49 49 CYS CB C 49 44.935 44.935 26.169 18.766 19542 743 1 3 . 1 1 49 49 CYS H H 49 8.873 8.873 8.346 0.527 19542 744 1 3 . 1 1 50 50 CYS N N 50 118.484 118.484 124.098 -5.614 19542 745 1 3 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.963 0.302 19542 746 1 3 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.426 -1.444 19542 747 1 3 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.495 15.616 19542 748 1 3 . 1 1 50 50 CYS H H 50 9.389 9.389 9.386 0.003 19542 749 1 3 . 1 1 51 51 SER N N 51 115.213 115.213 115.271 -0.058 19542 750 1 3 . 1 1 51 51 SER HA H 51 5.016 5.016 4.834 0.182 19542 751 1 3 . 1 1 51 51 SER CA C 51 58.118 58.118 58.015 0.103 19542 752 1 3 . 1 1 51 51 SER CB C 51 64.457 64.457 63.208 1.249 19542 753 1 3 . 1 1 51 51 SER H H 51 9.290 9.290 8.608 0.682 19542 754 1 3 . 1 1 52 52 THR N N 52 112.156 112.156 118.587 -6.431 19542 755 1 3 . 1 1 52 52 THR HA H 52 4.692 4.692 4.422 0.270 19542 756 1 3 . 1 1 52 52 THR CA C 52 59.835 59.835 61.545 -1.710 19542 757 1 3 . 1 1 52 52 THR CB C 52 71.872 71.872 71.438 0.434 19542 758 1 3 . 1 1 52 52 THR H H 52 7.624 7.624 7.330 0.294 19542 759 1 3 . 1 1 53 53 ASP N N 53 119.869 119.869 123.303 -3.434 19542 760 1 3 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.372 0.598 19542 761 1 3 . 1 1 53 53 ASP CA C 53 55.485 55.485 55.951 -0.466 19542 762 1 3 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.993 -0.271 19542 763 1 3 . 1 1 53 53 ASP H H 53 8.410 8.410 8.608 -0.198 19542 764 1 3 . 1 1 54 54 ARG N N 54 111.677 111.677 117.794 -6.117 19542 765 1 3 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.646 -0.461 19542 766 1 3 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.322 0.640 19542 767 1 3 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.251 1.178 19542 768 1 3 . 1 1 54 54 ARG H H 54 9.306 9.306 8.653 0.653 19542 769 1 3 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.409 0.152 19542 770 1 3 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.258 -1.444 19542 771 1 3 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.959 18.277 19542 772 1 3 . 1 1 55 55 CYS H H 55 7.995 7.995 7.981 0.014 19542 773 1 3 . 1 1 56 56 ASN N N 56 121.881 121.881 119.714 2.167 19542 774 1 3 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.685 0.125 19542 775 1 3 . 1 1 56 56 ASN CA C 56 52.366 52.366 51.942 0.424 19542 776 1 3 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.680 1.157 19542 777 1 3 . 1 1 56 56 ASN H H 56 8.755 8.755 8.622 0.133 19542 778 1 4 . 1 1 2 2 LYS N N 2 126.352 126.352 120.844 5.508 19542 779 1 4 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.256 0.134 19542 780 1 4 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.652 -0.250 19542 781 1 4 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.027 -3.293 19542 782 1 4 . 1 1 2 2 LYS H H 2 8.381 8.381 8.275 0.106 19542 783 1 4 . 1 1 3 3 CYS N N 3 117.974 117.974 120.648 -2.674 19542 784 1 4 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.599 0.360 19542 785 1 4 . 1 1 3 3 CYS CA C 3 51.272 51.272 57.563 -6.291 19542 786 1 4 . 1 1 3 3 CYS CB C 3 42.039 42.039 31.430 10.609 19542 787 1 4 . 1 1 3 3 CYS H H 3 8.394 8.394 8.558 -0.164 19542 788 1 4 . 1 1 4 4 PHE N N 4 120.016 120.016 120.737 -0.721 19542 789 1 4 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.948 -0.342 19542 790 1 4 . 1 1 4 4 PHE CB C 4 39.719 39.719 36.950 2.769 19542 791 1 4 . 1 1 4 4 PHE H H 4 9.550 9.550 9.164 0.386 19542 792 1 4 . 1 1 5 5 GLN N N 5 120.517 120.517 122.962 -2.445 19542 793 1 4 . 1 1 5 5 GLN HA H 5 4.422 4.422 3.951 0.471 19542 794 1 4 . 1 1 5 5 GLN CA C 5 56.003 56.003 58.524 -2.521 19542 795 1 4 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.163 3.431 19542 796 1 4 . 1 1 5 5 GLN H H 5 9.406 9.406 7.883 1.523 19542 797 1 4 . 1 1 6 6 HIS N N 6 118.478 118.478 115.807 2.671 19542 798 1 4 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.731 -0.253 19542 799 1 4 . 1 1 6 6 HIS CA C 6 56.627 56.627 56.341 0.286 19542 800 1 4 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.388 -2.412 19542 801 1 4 . 1 1 6 6 HIS H H 6 8.827 8.827 7.435 1.392 19542 802 1 4 . 1 1 7 7 GLY N N 7 103.072 103.072 106.878 -3.806 19542 803 1 4 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.332 0.592 19542 804 1 4 . 1 1 7 7 GLY H H 7 8.440 8.440 8.385 0.055 19542 805 1 4 . 1 1 8 8 LYS N N 8 119.909 119.909 120.088 -0.179 19542 806 1 4 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.844 -0.016 19542 807 1 4 . 1 1 8 8 LYS CB C 8 35.493 35.493 34.891 0.602 19542 808 1 4 . 1 1 8 8 LYS H H 8 7.703 7.703 7.974 -0.271 19542 809 1 4 . 1 1 9 9 VAL N N 9 122.232 122.232 124.391 -2.159 19542 810 1 4 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.982 -0.170 19542 811 1 4 . 1 1 9 9 VAL CA C 9 63.286 63.286 63.036 0.250 19542 812 1 4 . 1 1 9 9 VAL CB C 9 26.812 26.812 31.549 -4.737 19542 813 1 4 . 1 1 9 9 VAL H H 9 8.552 8.552 8.652 -0.100 19542 814 1 4 . 1 1 10 10 VAL N N 10 123.963 123.963 124.720 -0.757 19542 815 1 4 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.737 -0.131 19542 816 1 4 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.537 0.855 19542 817 1 4 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.176 -0.394 19542 818 1 4 . 1 1 10 10 VAL H H 10 8.920 8.920 8.735 0.185 19542 819 1 4 . 1 1 11 11 THR N N 11 118.572 118.572 120.146 -1.574 19542 820 1 4 . 1 1 11 11 THR HA H 11 4.443 4.443 4.405 0.038 19542 821 1 4 . 1 1 11 11 THR CA C 11 62.719 62.719 62.944 -0.225 19542 822 1 4 . 1 1 11 11 THR CB C 11 68.689 68.689 68.825 -0.136 19542 823 1 4 . 1 1 11 11 THR H H 11 8.517 8.517 8.138 0.379 19542 824 1 4 . 1 1 12 12 CYS N N 12 126.835 126.835 126.333 0.502 19542 825 1 4 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.461 0.210 19542 826 1 4 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.537 -5.501 19542 827 1 4 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.464 11.428 19542 828 1 4 . 1 1 12 12 CYS H H 12 8.970 8.970 8.459 0.511 19542 829 1 4 . 1 1 13 13 HIS N N 13 121.091 121.091 122.551 -1.460 19542 830 1 4 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.492 0.157 19542 831 1 4 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.178 -1.680 19542 832 1 4 . 1 1 13 13 HIS H H 13 9.015 9.015 8.632 0.383 19542 833 1 4 . 1 1 14 14 ARG N N 14 120.872 120.872 121.111 -0.239 19542 834 1 4 . 1 1 14 14 ARG HA H 14 4.043 4.043 3.954 0.089 19542 835 1 4 . 1 1 14 14 ARG CA C 14 58.962 58.962 58.210 0.752 19542 836 1 4 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.853 0.161 19542 837 1 4 . 1 1 14 14 ARG H H 14 8.689 8.689 7.822 0.867 19542 838 1 4 . 1 1 15 15 ASP N N 15 121.233 121.233 118.594 2.639 19542 839 1 4 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.644 -0.141 19542 840 1 4 . 1 1 15 15 ASP CA C 15 54.306 54.306 55.645 -1.339 19542 841 1 4 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.673 -2.566 19542 842 1 4 . 1 1 15 15 ASP H H 15 8.907 8.907 7.958 0.949 19542 843 1 4 . 1 1 16 16 MET N N 16 119.073 119.073 119.379 -0.306 19542 844 1 4 . 1 1 16 16 MET HA H 16 4.415 4.415 4.683 -0.268 19542 845 1 4 . 1 1 16 16 MET CA C 16 55.995 55.995 54.916 1.079 19542 846 1 4 . 1 1 16 16 MET CB C 16 32.662 32.662 31.380 1.282 19542 847 1 4 . 1 1 16 16 MET H H 16 7.811 7.811 7.746 0.065 19542 848 1 4 . 1 1 17 17 LYS N N 17 120.187 120.187 121.085 -0.898 19542 849 1 4 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.285 -0.018 19542 850 1 4 . 1 1 17 17 LYS CA C 17 55.889 55.889 56.626 -0.737 19542 851 1 4 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.206 0.900 19542 852 1 4 . 1 1 17 17 LYS H H 17 7.763 7.763 8.209 -0.446 19542 853 1 4 . 1 1 18 18 PHE N N 18 115.631 115.631 117.716 -2.085 19542 854 1 4 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.191 -0.078 19542 855 1 4 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.399 0.572 19542 856 1 4 . 1 1 18 18 PHE CB C 18 43.018 43.018 43.343 -0.325 19542 857 1 4 . 1 1 18 18 PHE H H 18 8.252 8.252 8.284 -0.031 19542 858 1 4 . 1 1 19 19 CYS N N 19 115.508 115.508 120.292 -4.784 19542 859 1 4 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.138 0.864 19542 860 1 4 . 1 1 19 19 CYS CA C 19 52.258 52.258 58.002 -5.744 19542 861 1 4 . 1 1 19 19 CYS CB C 19 38.627 38.627 27.480 11.147 19542 862 1 4 . 1 1 19 19 CYS H H 19 9.343 9.343 9.365 -0.022 19542 863 1 4 . 1 1 20 20 TYR N N 20 128.934 128.934 119.265 9.669 19542 864 1 4 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.623 0.584 19542 865 1 4 . 1 1 20 20 TYR CA C 20 55.701 55.701 55.017 0.684 19542 866 1 4 . 1 1 20 20 TYR CB C 20 43.184 43.184 40.903 2.281 19542 867 1 4 . 1 1 20 20 TYR H H 20 8.871 8.871 8.975 -0.104 19542 868 1 4 . 1 1 21 21 HIS N N 21 122.079 122.079 122.957 -0.878 19542 869 1 4 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.870 0.413 19542 870 1 4 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.535 0.178 19542 871 1 4 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.604 0.115 19542 872 1 4 . 1 1 21 21 HIS H H 21 8.797 8.797 9.385 -0.588 19542 873 1 4 . 1 1 22 22 ASN N N 22 128.444 128.444 128.298 0.146 19542 874 1 4 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.581 0.265 19542 875 1 4 . 1 1 22 22 ASN CA C 22 52.512 52.512 51.938 0.574 19542 876 1 4 . 1 1 22 22 ASN CB C 22 40.821 40.821 41.027 -0.206 19542 877 1 4 . 1 1 22 22 ASN H H 22 9.823 9.823 8.552 1.271 19542 878 1 4 . 1 1 23 23 THR N N 23 116.691 116.691 117.531 -0.840 19542 879 1 4 . 1 1 23 23 THR HA H 23 4.604 4.604 4.368 0.236 19542 880 1 4 . 1 1 23 23 THR CA C 23 57.003 57.003 63.228 -6.225 19542 881 1 4 . 1 1 23 23 THR CB C 23 69.344 69.344 69.504 -0.160 19542 882 1 4 . 1 1 23 23 THR H H 23 8.561 8.561 8.541 0.020 19542 883 1 4 . 1 1 24 24 GLY N N 24 110.763 110.763 111.298 -0.535 19542 884 1 4 . 1 1 24 24 GLY CA C 24 44.993 44.993 44.985 0.008 19542 885 1 4 . 1 1 24 24 GLY H H 24 8.608 8.608 7.969 0.639 19542 886 1 4 . 1 1 25 25 MET N N 25 120.520 120.520 122.386 -1.866 19542 887 1 4 . 1 1 25 25 MET HA H 25 4.818 4.818 4.532 0.286 19542 888 1 4 . 1 1 25 25 MET CA C 25 53.892 53.892 53.129 0.763 19542 889 1 4 . 1 1 25 25 MET CB C 25 32.399 32.399 33.111 -0.712 19542 890 1 4 . 1 1 25 25 MET H H 25 8.418 8.418 8.268 0.150 19542 891 1 4 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.354 0.023 19542 892 1 4 . 1 1 26 26 PRO CA C 26 63.841 63.841 62.716 1.125 19542 893 1 4 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.773 -0.024 19542 894 1 4 . 1 1 27 27 PHE N N 27 118.056 118.056 123.116 -5.060 19542 895 1 4 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.788 -0.163 19542 896 1 4 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.458 0.874 19542 897 1 4 . 1 1 27 27 PHE CB C 27 39.701 39.701 41.995 -2.293 19542 898 1 4 . 1 1 27 27 PHE H H 27 7.988 7.988 8.391 -0.403 19542 899 1 4 . 1 1 28 28 ARG N N 28 121.294 121.294 124.820 -3.526 19542 900 1 4 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.292 -0.233 19542 901 1 4 . 1 1 28 28 ARG CA C 28 57.142 57.142 57.252 -0.110 19542 902 1 4 . 1 1 28 28 ARG CB C 28 29.711 29.711 30.221 -0.510 19542 903 1 4 . 1 1 28 28 ARG H H 28 8.333 8.333 8.899 -0.566 19542 904 1 4 . 1 1 29 29 ASN N N 29 116.243 116.243 120.148 -3.905 19542 905 1 4 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.372 0.224 19542 906 1 4 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.080 -0.285 19542 907 1 4 . 1 1 29 29 ASN CB C 29 38.239 38.239 38.306 -0.067 19542 908 1 4 . 1 1 29 29 ASN H H 29 8.356 8.356 9.030 -0.674 19542 909 1 4 . 1 1 30 30 LEU N N 30 121.660 121.660 120.179 1.481 19542 910 1 4 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.662 -0.217 19542 911 1 4 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.593 0.610 19542 912 1 4 . 1 1 30 30 LEU CB C 30 42.982 42.982 43.752 -0.770 19542 913 1 4 . 1 1 30 30 LEU H H 30 8.028 8.028 7.607 0.421 19542 914 1 4 . 1 1 31 31 LYS N N 31 120.928 120.928 126.443 -5.515 19542 915 1 4 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.480 -0.102 19542 916 1 4 . 1 1 31 31 LYS CA C 31 56.271 56.271 55.312 0.959 19542 917 1 4 . 1 1 31 31 LYS CB C 31 32.230 32.230 32.362 -0.132 19542 918 1 4 . 1 1 31 31 LYS H H 31 8.306 8.306 8.518 -0.212 19542 919 1 4 . 1 1 32 32 LEU N N 32 122.843 122.843 126.650 -3.807 19542 920 1 4 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.418 0.028 19542 921 1 4 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.903 -0.419 19542 922 1 4 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.588 0.816 19542 923 1 4 . 1 1 32 32 LEU H H 32 8.027 8.027 8.546 -0.519 19542 924 1 4 . 1 1 33 33 ILE N N 33 123.311 123.311 128.355 -5.044 19542 925 1 4 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.404 -0.021 19542 926 1 4 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.278 1.317 19542 927 1 4 . 1 1 33 33 ILE CB C 33 38.303 38.303 37.633 0.670 19542 928 1 4 . 1 1 33 33 ILE H H 33 8.327 8.327 8.365 -0.038 19542 929 1 4 . 1 1 34 34 LEU N N 34 128.669 128.669 129.611 -0.942 19542 930 1 4 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.757 0.037 19542 931 1 4 . 1 1 34 34 LEU CB C 34 42.873 42.873 41.493 1.380 19542 932 1 4 . 1 1 34 34 LEU H H 34 8.880 8.880 8.516 0.364 19542 933 1 4 . 1 1 35 35 GLN N N 35 121.600 121.600 119.872 1.728 19542 934 1 4 . 1 1 35 35 GLN HA H 35 4.588 4.588 4.871 -0.283 19542 935 1 4 . 1 1 35 35 GLN CA C 35 61.390 61.390 55.246 6.144 19542 936 1 4 . 1 1 35 35 GLN CB C 35 33.866 33.866 30.826 3.040 19542 937 1 4 . 1 1 35 35 GLN H H 35 8.210 8.210 7.685 0.525 19542 938 1 4 . 1 1 36 36 GLY N N 36 106.726 106.726 109.094 -2.368 19542 939 1 4 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.934 1.944 19542 940 1 4 . 1 1 36 36 GLY H H 36 6.121 6.121 7.311 -1.190 19542 941 1 4 . 1 1 37 37 CYS N N 37 124.584 124.584 118.660 5.924 19542 942 1 4 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.195 0.679 19542 943 1 4 . 1 1 37 37 CYS CA C 37 55.955 55.955 57.903 -1.948 19542 944 1 4 . 1 1 37 37 CYS CB C 37 48.202 48.202 29.833 18.369 19542 945 1 4 . 1 1 37 37 CYS H H 37 8.505 8.505 8.313 0.192 19542 946 1 4 . 1 1 38 38 SER N N 38 115.036 115.036 118.811 -3.775 19542 947 1 4 . 1 1 38 38 SER HA H 38 4.980 4.980 5.040 -0.060 19542 948 1 4 . 1 1 38 38 SER CA C 38 58.792 58.792 56.974 1.819 19542 949 1 4 . 1 1 38 38 SER CB C 38 65.971 65.971 66.264 -0.293 19542 950 1 4 . 1 1 38 38 SER H H 38 9.749 9.749 9.258 0.491 19542 951 1 4 . 1 1 39 39 SER N N 39 117.276 117.276 120.307 -3.031 19542 952 1 4 . 1 1 39 39 SER HA H 39 4.827 4.827 4.848 -0.021 19542 953 1 4 . 1 1 39 39 SER CA C 39 60.040 60.040 59.754 0.286 19542 954 1 4 . 1 1 39 39 SER CB C 39 63.784 63.784 63.712 0.072 19542 955 1 4 . 1 1 39 39 SER H H 39 9.161 9.161 8.925 0.236 19542 956 1 4 . 1 1 40 40 SER N N 40 115.041 115.041 115.375 -0.334 19542 957 1 4 . 1 1 40 40 SER HA H 40 4.660 4.660 4.818 -0.158 19542 958 1 4 . 1 1 40 40 SER CA C 40 55.868 55.868 57.472 -1.604 19542 959 1 4 . 1 1 40 40 SER CB C 40 64.868 64.868 66.004 -1.136 19542 960 1 4 . 1 1 40 40 SER H H 40 7.911 7.911 7.796 0.115 19542 961 1 4 . 1 1 41 41 CYS N N 41 124.146 124.146 119.106 5.040 19542 962 1 4 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.534 -0.225 19542 963 1 4 . 1 1 41 41 CYS CA C 41 57.567 57.567 57.530 0.037 19542 964 1 4 . 1 1 41 41 CYS CB C 41 40.000 40.000 28.066 11.934 19542 965 1 4 . 1 1 41 41 CYS H H 41 8.067 8.067 8.272 -0.205 19542 966 1 4 . 1 1 42 42 SER N N 42 118.590 118.590 121.770 -3.180 19542 967 1 4 . 1 1 42 42 SER HA H 42 4.611 4.611 4.554 0.057 19542 968 1 4 . 1 1 42 42 SER CA C 42 59.020 59.020 57.702 1.318 19542 969 1 4 . 1 1 42 42 SER CB C 42 64.112 64.112 64.848 -0.736 19542 970 1 4 . 1 1 42 42 SER H H 42 8.491 8.491 8.309 0.182 19542 971 1 4 . 1 1 43 43 GLU N N 43 118.830 118.830 118.568 0.262 19542 972 1 4 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.338 0.311 19542 973 1 4 . 1 1 43 43 GLU CA C 43 56.856 56.856 56.439 0.417 19542 974 1 4 . 1 1 43 43 GLU CB C 43 29.206 29.206 29.373 -0.167 19542 975 1 4 . 1 1 43 43 GLU H H 43 8.861 8.861 8.626 0.235 19542 976 1 4 . 1 1 44 44 THR N N 44 117.954 117.954 112.257 5.697 19542 977 1 4 . 1 1 44 44 THR HA H 44 4.619 4.619 4.333 0.286 19542 978 1 4 . 1 1 44 44 THR CB C 44 72.341 72.341 70.371 1.970 19542 979 1 4 . 1 1 44 44 THR H H 44 9.030 9.030 7.593 1.438 19542 980 1 4 . 1 1 45 45 GLU N N 45 127.100 127.100 121.747 5.353 19542 981 1 4 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.183 -0.089 19542 982 1 4 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.682 0.252 19542 983 1 4 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.990 -2.981 19542 984 1 4 . 1 1 45 45 GLU H H 45 8.837 8.837 8.794 0.043 19542 985 1 4 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.478 0.424 19542 986 1 4 . 1 1 46 46 ASN CA C 46 53.244 53.244 55.494 -2.250 19542 987 1 4 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.046 1.007 19542 988 1 4 . 1 1 46 46 ASN H H 46 8.018 8.018 8.604 -0.586 19542 989 1 4 . 1 1 47 47 ASN N N 47 120.765 120.765 117.079 3.686 19542 990 1 4 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.360 0.002 19542 991 1 4 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.080 1.899 19542 992 1 4 . 1 1 47 47 ASN CB C 47 41.749 41.749 39.768 1.981 19542 993 1 4 . 1 1 47 47 ASN H H 47 7.835 7.835 8.096 -0.261 19542 994 1 4 . 1 1 48 48 LYS N N 48 123.576 123.576 126.056 -2.480 19542 995 1 4 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.720 0.122 19542 996 1 4 . 1 1 48 48 LYS CB C 48 34.398 34.398 35.377 -0.979 19542 997 1 4 . 1 1 48 48 LYS H H 48 8.548 8.548 8.896 -0.348 19542 998 1 4 . 1 1 49 49 CYS N N 49 116.141 116.141 116.271 -0.130 19542 999 1 4 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.971 -0.418 19542 1000 1 4 . 1 1 49 49 CYS CA C 49 53.386 53.386 55.604 -2.218 19542 1001 1 4 . 1 1 49 49 CYS CB C 49 44.935 44.935 29.299 15.636 19542 1002 1 4 . 1 1 49 49 CYS H H 49 8.873 8.873 8.403 0.470 19542 1003 1 4 . 1 1 50 50 CYS N N 50 118.484 118.484 119.913 -1.429 19542 1004 1 4 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.894 0.371 19542 1005 1 4 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.247 -1.264 19542 1006 1 4 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.288 15.823 19542 1007 1 4 . 1 1 50 50 CYS H H 50 9.389 9.389 9.282 0.107 19542 1008 1 4 . 1 1 51 51 SER N N 51 115.213 115.213 118.659 -3.446 19542 1009 1 4 . 1 1 51 51 SER HA H 51 5.016 5.016 4.682 0.334 19542 1010 1 4 . 1 1 51 51 SER CA C 51 58.118 58.118 57.821 0.297 19542 1011 1 4 . 1 1 51 51 SER CB C 51 64.457 64.457 62.090 2.367 19542 1012 1 4 . 1 1 51 51 SER H H 51 9.290 9.290 8.839 0.451 19542 1013 1 4 . 1 1 52 52 THR N N 52 112.156 112.156 118.715 -6.559 19542 1014 1 4 . 1 1 52 52 THR HA H 52 4.692 4.692 4.478 0.214 19542 1015 1 4 . 1 1 52 52 THR CA C 52 59.835 59.835 61.147 -1.312 19542 1016 1 4 . 1 1 52 52 THR CB C 52 71.872 71.872 71.668 0.204 19542 1017 1 4 . 1 1 52 52 THR H H 52 7.624 7.624 7.646 -0.022 19542 1018 1 4 . 1 1 53 53 ASP N N 53 119.869 119.869 121.745 -1.876 19542 1019 1 4 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.372 0.598 19542 1020 1 4 . 1 1 53 53 ASP CA C 53 55.485 55.485 54.943 0.542 19542 1021 1 4 . 1 1 53 53 ASP CB C 53 40.722 40.722 41.026 -0.304 19542 1022 1 4 . 1 1 53 53 ASP H H 53 8.410 8.410 8.367 0.043 19542 1023 1 4 . 1 1 54 54 ARG N N 54 111.677 111.677 117.721 -6.044 19542 1024 1 4 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.294 -0.109 19542 1025 1 4 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.077 0.885 19542 1026 1 4 . 1 1 54 54 ARG CB C 54 28.429 28.429 26.790 1.639 19542 1027 1 4 . 1 1 54 54 ARG H H 54 9.306 9.306 8.584 0.722 19542 1028 1 4 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.495 0.066 19542 1029 1 4 . 1 1 55 55 CYS CA C 55 57.814 57.814 58.801 -0.987 19542 1030 1 4 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.624 18.612 19542 1031 1 4 . 1 1 55 55 CYS H H 55 7.995 7.995 7.758 0.237 19542 1032 1 4 . 1 1 56 56 ASN N N 56 121.881 121.881 120.525 1.356 19542 1033 1 4 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.626 0.184 19542 1034 1 4 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.572 -0.205 19542 1035 1 4 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.483 1.354 19542 1036 1 4 . 1 1 56 56 ASN H H 56 8.755 8.755 8.564 0.191 19542 1037 1 5 . 1 1 2 2 LYS N N 2 126.352 126.352 121.248 5.104 19542 1038 1 5 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.392 -0.002 19542 1039 1 5 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.648 -0.246 19542 1040 1 5 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.075 -3.341 19542 1041 1 5 . 1 1 2 2 LYS H H 2 8.381 8.381 8.288 0.093 19542 1042 1 5 . 1 1 3 3 CYS N N 3 117.974 117.974 120.873 -2.899 19542 1043 1 5 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.540 0.419 19542 1044 1 5 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.220 -6.948 19542 1045 1 5 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.212 9.827 19542 1046 1 5 . 1 1 3 3 CYS H H 3 8.394 8.394 8.822 -0.428 19542 1047 1 5 . 1 1 4 4 PHE N N 4 120.016 120.016 120.676 -0.660 19542 1048 1 5 . 1 1 4 4 PHE HA H 4 4.606 4.606 5.006 -0.400 19542 1049 1 5 . 1 1 4 4 PHE CB C 4 39.719 39.719 36.609 3.110 19542 1050 1 5 . 1 1 4 4 PHE H H 4 9.550 9.550 9.327 0.223 19542 1051 1 5 . 1 1 5 5 GLN N N 5 120.517 120.517 121.619 -1.102 19542 1052 1 5 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.209 0.213 19542 1053 1 5 . 1 1 5 5 GLN CA C 5 56.003 56.003 58.033 -2.030 19542 1054 1 5 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.065 3.529 19542 1055 1 5 . 1 1 5 5 GLN H H 5 9.406 9.406 8.078 1.328 19542 1056 1 5 . 1 1 6 6 HIS N N 6 118.478 118.478 116.566 1.912 19542 1057 1 5 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.624 -0.146 19542 1058 1 5 . 1 1 6 6 HIS CA C 6 56.627 56.627 56.072 0.555 19542 1059 1 5 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.842 -2.866 19542 1060 1 5 . 1 1 6 6 HIS H H 6 8.827 8.827 7.582 1.245 19542 1061 1 5 . 1 1 7 7 GLY N N 7 103.072 103.072 105.451 -2.379 19542 1062 1 5 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.027 0.897 19542 1063 1 5 . 1 1 7 7 GLY H H 7 8.440 8.440 8.691 -0.252 19542 1064 1 5 . 1 1 8 8 LYS N N 8 119.909 119.909 120.908 -0.999 19542 1065 1 5 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.854 -0.026 19542 1066 1 5 . 1 1 8 8 LYS CB C 8 35.493 35.493 34.924 0.569 19542 1067 1 5 . 1 1 8 8 LYS H H 8 7.703 7.703 7.830 -0.127 19542 1068 1 5 . 1 1 9 9 VAL N N 9 122.232 122.232 122.117 0.115 19542 1069 1 5 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.763 0.049 19542 1070 1 5 . 1 1 9 9 VAL CA C 9 63.286 63.286 62.979 0.307 19542 1071 1 5 . 1 1 9 9 VAL CB C 9 26.812 26.812 30.622 -3.810 19542 1072 1 5 . 1 1 9 9 VAL H H 9 8.552 8.552 8.465 0.087 19542 1073 1 5 . 1 1 10 10 VAL N N 10 123.963 123.963 124.130 -0.167 19542 1074 1 5 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.595 0.011 19542 1075 1 5 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.123 1.269 19542 1076 1 5 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.515 -0.733 19542 1077 1 5 . 1 1 10 10 VAL H H 10 8.920 8.920 8.586 0.334 19542 1078 1 5 . 1 1 11 11 THR N N 11 118.572 118.572 119.187 -0.615 19542 1079 1 5 . 1 1 11 11 THR HA H 11 4.443 4.443 4.616 -0.173 19542 1080 1 5 . 1 1 11 11 THR CA C 11 62.719 62.719 62.923 -0.204 19542 1081 1 5 . 1 1 11 11 THR CB C 11 68.689 68.689 68.061 0.628 19542 1082 1 5 . 1 1 11 11 THR H H 11 8.517 8.517 8.296 0.221 19542 1083 1 5 . 1 1 12 12 CYS N N 12 126.835 126.835 126.142 0.693 19542 1084 1 5 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.430 0.241 19542 1085 1 5 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.907 -5.872 19542 1086 1 5 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.422 11.470 19542 1087 1 5 . 1 1 12 12 CYS H H 12 8.970 8.970 8.743 0.227 19542 1088 1 5 . 1 1 13 13 HIS N N 13 121.091 121.091 124.183 -3.092 19542 1089 1 5 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.375 0.274 19542 1090 1 5 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.373 -1.875 19542 1091 1 5 . 1 1 13 13 HIS H H 13 9.015 9.015 8.633 0.382 19542 1092 1 5 . 1 1 14 14 ARG N N 14 120.872 120.872 121.369 -0.497 19542 1093 1 5 . 1 1 14 14 ARG HA H 14 4.043 4.043 4.017 0.026 19542 1094 1 5 . 1 1 14 14 ARG CA C 14 58.962 58.962 57.921 1.041 19542 1095 1 5 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.489 0.525 19542 1096 1 5 . 1 1 14 14 ARG H H 14 8.689 8.689 8.179 0.510 19542 1097 1 5 . 1 1 15 15 ASP N N 15 121.233 121.233 118.927 2.306 19542 1098 1 5 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.555 -0.052 19542 1099 1 5 . 1 1 15 15 ASP CA C 15 54.306 54.306 56.527 -2.221 19542 1100 1 5 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.124 -2.017 19542 1101 1 5 . 1 1 15 15 ASP H H 15 8.907 8.907 7.838 1.069 19542 1102 1 5 . 1 1 16 16 MET N N 16 119.073 119.073 118.561 0.512 19542 1103 1 5 . 1 1 16 16 MET HA H 16 4.415 4.415 4.642 -0.227 19542 1104 1 5 . 1 1 16 16 MET CA C 16 55.995 55.995 54.770 1.225 19542 1105 1 5 . 1 1 16 16 MET CB C 16 32.662 32.662 31.302 1.359 19542 1106 1 5 . 1 1 16 16 MET H H 16 7.811 7.811 7.801 0.010 19542 1107 1 5 . 1 1 17 17 LYS N N 17 120.187 120.187 121.859 -1.672 19542 1108 1 5 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.145 0.122 19542 1109 1 5 . 1 1 17 17 LYS CA C 17 55.889 55.889 57.351 -1.462 19542 1110 1 5 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.230 0.876 19542 1111 1 5 . 1 1 17 17 LYS H H 17 7.763 7.763 8.111 -0.348 19542 1112 1 5 . 1 1 18 18 PHE N N 18 115.631 115.631 117.284 -1.653 19542 1113 1 5 . 1 1 18 18 PHE HA H 18 5.113 5.113 4.985 0.128 19542 1114 1 5 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.562 0.409 19542 1115 1 5 . 1 1 18 18 PHE CB C 18 43.018 43.018 42.346 0.672 19542 1116 1 5 . 1 1 18 18 PHE H H 18 8.252 8.252 8.022 0.230 19542 1117 1 5 . 1 1 19 19 CYS N N 19 115.508 115.508 121.981 -6.473 19542 1118 1 5 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.266 0.736 19542 1119 1 5 . 1 1 19 19 CYS CA C 19 52.258 52.258 58.005 -5.747 19542 1120 1 5 . 1 1 19 19 CYS CB C 19 38.627 38.627 27.352 11.275 19542 1121 1 5 . 1 1 19 19 CYS H H 19 9.343 9.343 9.361 -0.018 19542 1122 1 5 . 1 1 20 20 TYR N N 20 128.934 128.934 120.569 8.365 19542 1123 1 5 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.463 0.744 19542 1124 1 5 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.881 0.820 19542 1125 1 5 . 1 1 20 20 TYR CB C 20 43.184 43.184 40.951 2.233 19542 1126 1 5 . 1 1 20 20 TYR H H 20 8.871 8.871 9.063 -0.192 19542 1127 1 5 . 1 1 21 21 HIS N N 21 122.079 122.079 121.066 1.013 19542 1128 1 5 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.899 0.384 19542 1129 1 5 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.605 0.108 19542 1130 1 5 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.501 0.218 19542 1131 1 5 . 1 1 21 21 HIS H H 21 8.797 8.797 9.490 -0.693 19542 1132 1 5 . 1 1 22 22 ASN N N 22 128.444 128.444 127.685 0.759 19542 1133 1 5 . 1 1 22 22 ASN HA H 22 5.846 5.846 4.922 0.924 19542 1134 1 5 . 1 1 22 22 ASN CA C 22 52.512 52.512 52.657 -0.145 19542 1135 1 5 . 1 1 22 22 ASN CB C 22 40.821 40.821 40.928 -0.107 19542 1136 1 5 . 1 1 22 22 ASN H H 22 9.823 9.823 8.690 1.133 19542 1137 1 5 . 1 1 23 23 THR N N 23 116.691 116.691 121.265 -4.574 19542 1138 1 5 . 1 1 23 23 THR HA H 23 4.604 4.604 5.073 -0.469 19542 1139 1 5 . 1 1 23 23 THR CA C 23 57.003 57.003 60.008 -3.006 19542 1140 1 5 . 1 1 23 23 THR CB C 23 69.344 69.344 70.547 -1.203 19542 1141 1 5 . 1 1 23 23 THR H H 23 8.561 8.561 7.675 0.886 19542 1142 1 5 . 1 1 24 24 GLY N N 24 110.763 110.763 114.893 -4.130 19542 1143 1 5 . 1 1 24 24 GLY CA C 24 44.993 44.993 44.552 0.441 19542 1144 1 5 . 1 1 24 24 GLY H H 24 8.608 8.608 8.763 -0.155 19542 1145 1 5 . 1 1 25 25 MET N N 25 120.520 120.520 119.061 1.459 19542 1146 1 5 . 1 1 25 25 MET HA H 25 4.818 4.818 4.460 0.358 19542 1147 1 5 . 1 1 25 25 MET CA C 25 53.892 53.892 53.211 0.681 19542 1148 1 5 . 1 1 25 25 MET CB C 25 32.399 32.399 32.485 -0.086 19542 1149 1 5 . 1 1 25 25 MET H H 25 8.418 8.418 8.209 0.209 19542 1150 1 5 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.251 0.126 19542 1151 1 5 . 1 1 26 26 PRO CA C 26 63.841 63.841 62.900 0.941 19542 1152 1 5 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.063 0.687 19542 1153 1 5 . 1 1 27 27 PHE N N 27 118.056 118.056 124.377 -6.321 19542 1154 1 5 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.801 -0.176 19542 1155 1 5 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.044 1.288 19542 1156 1 5 . 1 1 27 27 PHE CB C 27 39.701 39.701 42.428 -2.727 19542 1157 1 5 . 1 1 27 27 PHE H H 27 7.988 7.988 7.788 0.200 19542 1158 1 5 . 1 1 28 28 ARG N N 28 121.294 121.294 123.391 -2.097 19542 1159 1 5 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.183 -0.124 19542 1160 1 5 . 1 1 28 28 ARG CA C 28 57.142 57.142 57.510 -0.368 19542 1161 1 5 . 1 1 28 28 ARG CB C 28 29.711 29.711 29.958 -0.247 19542 1162 1 5 . 1 1 28 28 ARG H H 28 8.333 8.333 9.009 -0.676 19542 1163 1 5 . 1 1 29 29 ASN N N 29 116.243 116.243 114.645 1.598 19542 1164 1 5 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.401 0.195 19542 1165 1 5 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.467 -0.672 19542 1166 1 5 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.800 0.439 19542 1167 1 5 . 1 1 29 29 ASN H H 29 8.356 8.356 8.905 -0.549 19542 1168 1 5 . 1 1 30 30 LEU N N 30 121.660 121.660 121.735 -0.075 19542 1169 1 5 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.646 -0.201 19542 1170 1 5 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.659 0.544 19542 1171 1 5 . 1 1 30 30 LEU CB C 30 42.982 42.982 43.109 -0.128 19542 1172 1 5 . 1 1 30 30 LEU H H 30 8.028 8.028 7.671 0.357 19542 1173 1 5 . 1 1 31 31 LYS N N 31 120.928 120.928 127.366 -6.438 19542 1174 1 5 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.611 -0.233 19542 1175 1 5 . 1 1 31 31 LYS CA C 31 56.271 56.271 54.810 1.461 19542 1176 1 5 . 1 1 31 31 LYS CB C 31 32.230 32.230 32.569 -0.339 19542 1177 1 5 . 1 1 31 31 LYS H H 31 8.306 8.306 8.584 -0.278 19542 1178 1 5 . 1 1 32 32 LEU N N 32 122.843 122.843 129.247 -6.404 19542 1179 1 5 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.632 -0.186 19542 1180 1 5 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.511 -0.028 19542 1181 1 5 . 1 1 32 32 LEU CB C 32 43.404 43.404 43.128 0.276 19542 1182 1 5 . 1 1 32 32 LEU H H 32 8.027 8.027 8.737 -0.710 19542 1183 1 5 . 1 1 33 33 ILE N N 33 123.311 123.311 127.614 -4.303 19542 1184 1 5 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.752 -0.369 19542 1185 1 5 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.532 1.062 19542 1186 1 5 . 1 1 33 33 ILE CB C 33 38.303 38.303 38.821 -0.518 19542 1187 1 5 . 1 1 33 33 ILE H H 33 8.327 8.327 8.295 0.032 19542 1188 1 5 . 1 1 34 34 LEU N N 34 128.669 128.669 129.143 -0.474 19542 1189 1 5 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.821 -0.027 19542 1190 1 5 . 1 1 34 34 LEU CB C 34 42.873 42.873 42.055 0.818 19542 1191 1 5 . 1 1 34 34 LEU H H 34 8.880 8.880 9.093 -0.213 19542 1192 1 5 . 1 1 35 35 GLN N N 35 121.600 121.600 121.564 0.036 19542 1193 1 5 . 1 1 35 35 GLN HA H 35 4.588 4.588 4.718 -0.130 19542 1194 1 5 . 1 1 35 35 GLN CA C 35 61.390 61.390 55.880 5.510 19542 1195 1 5 . 1 1 35 35 GLN CB C 35 33.866 33.866 29.819 4.048 19542 1196 1 5 . 1 1 35 35 GLN H H 35 8.210 8.210 8.203 0.007 19542 1197 1 5 . 1 1 36 36 GLY N N 36 106.726 106.726 109.873 -3.147 19542 1198 1 5 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.285 2.593 19542 1199 1 5 . 1 1 36 36 GLY H H 36 6.121 6.121 7.571 -1.450 19542 1200 1 5 . 1 1 37 37 CYS N N 37 124.584 124.584 118.714 5.870 19542 1201 1 5 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.385 0.489 19542 1202 1 5 . 1 1 37 37 CYS CA C 37 55.955 55.955 58.185 -2.230 19542 1203 1 5 . 1 1 37 37 CYS CB C 37 48.202 48.202 30.418 17.785 19542 1204 1 5 . 1 1 37 37 CYS H H 37 8.505 8.505 8.269 0.236 19542 1205 1 5 . 1 1 38 38 SER N N 38 115.036 115.036 118.206 -3.170 19542 1206 1 5 . 1 1 38 38 SER HA H 38 4.980 4.980 5.008 -0.028 19542 1207 1 5 . 1 1 38 38 SER CA C 38 58.792 58.792 56.521 2.271 19542 1208 1 5 . 1 1 38 38 SER CB C 38 65.971 65.971 65.944 0.027 19542 1209 1 5 . 1 1 38 38 SER H H 38 9.749 9.749 9.298 0.451 19542 1210 1 5 . 1 1 39 39 SER N N 39 117.276 117.276 119.678 -2.402 19542 1211 1 5 . 1 1 39 39 SER HA H 39 4.827 4.827 4.897 -0.070 19542 1212 1 5 . 1 1 39 39 SER CA C 39 60.040 60.040 60.877 -0.837 19542 1213 1 5 . 1 1 39 39 SER CB C 39 63.784 63.784 64.003 -0.219 19542 1214 1 5 . 1 1 39 39 SER H H 39 9.161 9.161 8.869 0.292 19542 1215 1 5 . 1 1 40 40 SER N N 40 115.041 115.041 114.158 0.883 19542 1216 1 5 . 1 1 40 40 SER HA H 40 4.660 4.660 4.812 -0.152 19542 1217 1 5 . 1 1 40 40 SER CA C 40 55.868 55.868 57.530 -1.662 19542 1218 1 5 . 1 1 40 40 SER CB C 40 64.868 64.868 66.120 -1.252 19542 1219 1 5 . 1 1 40 40 SER H H 40 7.911 7.911 7.701 0.210 19542 1220 1 5 . 1 1 41 41 CYS N N 41 124.146 124.146 122.061 2.085 19542 1221 1 5 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.590 -0.281 19542 1222 1 5 . 1 1 41 41 CYS CA C 41 57.567 57.567 57.006 0.561 19542 1223 1 5 . 1 1 41 41 CYS CB C 41 40.000 40.000 28.807 11.193 19542 1224 1 5 . 1 1 41 41 CYS H H 41 8.067 8.067 8.196 -0.129 19542 1225 1 5 . 1 1 42 42 SER N N 42 118.590 118.590 117.276 1.314 19542 1226 1 5 . 1 1 42 42 SER HA H 42 4.611 4.611 4.563 0.048 19542 1227 1 5 . 1 1 42 42 SER CA C 42 59.020 59.020 57.443 1.577 19542 1228 1 5 . 1 1 42 42 SER CB C 42 64.112 64.112 65.110 -0.998 19542 1229 1 5 . 1 1 42 42 SER H H 42 8.491 8.491 8.400 0.091 19542 1230 1 5 . 1 1 43 43 GLU N N 43 118.830 118.830 118.996 -0.166 19542 1231 1 5 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.320 0.329 19542 1232 1 5 . 1 1 43 43 GLU CA C 43 56.856 56.856 55.925 0.931 19542 1233 1 5 . 1 1 43 43 GLU CB C 43 29.206 29.206 29.214 -0.008 19542 1234 1 5 . 1 1 43 43 GLU H H 43 8.861 8.861 8.512 0.349 19542 1235 1 5 . 1 1 44 44 THR N N 44 117.954 117.954 112.928 5.026 19542 1236 1 5 . 1 1 44 44 THR HA H 44 4.619 4.619 4.296 0.323 19542 1237 1 5 . 1 1 44 44 THR CB C 44 72.341 72.341 70.102 2.239 19542 1238 1 5 . 1 1 44 44 THR H H 44 9.030 9.030 7.661 1.369 19542 1239 1 5 . 1 1 45 45 GLU N N 45 127.100 127.100 122.494 4.606 19542 1240 1 5 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.142 -0.048 19542 1241 1 5 . 1 1 45 45 GLU CA C 45 58.934 58.934 59.108 -0.174 19542 1242 1 5 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.900 -2.891 19542 1243 1 5 . 1 1 45 45 GLU H H 45 8.837 8.837 8.806 0.031 19542 1244 1 5 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.503 0.399 19542 1245 1 5 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.894 -1.650 19542 1246 1 5 . 1 1 46 46 ASN CB C 46 40.053 40.053 38.701 1.352 19542 1247 1 5 . 1 1 46 46 ASN H H 46 8.018 8.018 8.493 -0.475 19542 1248 1 5 . 1 1 47 47 ASN N N 47 120.765 120.765 118.481 2.284 19542 1249 1 5 . 1 1 47 47 ASN HA H 47 5.362 5.362 4.946 0.416 19542 1250 1 5 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.860 1.119 19542 1251 1 5 . 1 1 47 47 ASN CB C 47 41.749 41.749 38.955 2.794 19542 1252 1 5 . 1 1 47 47 ASN H H 47 7.835 7.835 8.123 -0.288 19542 1253 1 5 . 1 1 48 48 LYS N N 48 123.576 123.576 126.551 -2.975 19542 1254 1 5 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.717 0.125 19542 1255 1 5 . 1 1 48 48 LYS CB C 48 34.398 34.398 35.065 -0.667 19542 1256 1 5 . 1 1 48 48 LYS H H 48 8.548 8.548 8.727 -0.179 19542 1257 1 5 . 1 1 49 49 CYS N N 49 116.141 116.141 115.431 0.710 19542 1258 1 5 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.810 -0.257 19542 1259 1 5 . 1 1 49 49 CYS CA C 49 53.386 53.386 56.229 -2.843 19542 1260 1 5 . 1 1 49 49 CYS CB C 49 44.935 44.935 29.496 15.439 19542 1261 1 5 . 1 1 49 49 CYS H H 49 8.873 8.873 8.414 0.459 19542 1262 1 5 . 1 1 50 50 CYS N N 50 118.484 118.484 119.974 -1.490 19542 1263 1 5 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.948 0.317 19542 1264 1 5 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.161 -1.178 19542 1265 1 5 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.855 15.256 19542 1266 1 5 . 1 1 50 50 CYS H H 50 9.389 9.389 9.389 -0.000 19542 1267 1 5 . 1 1 51 51 SER N N 51 115.213 115.213 115.841 -0.628 19542 1268 1 5 . 1 1 51 51 SER HA H 51 5.016 5.016 4.837 0.179 19542 1269 1 5 . 1 1 51 51 SER CA C 51 58.118 58.118 57.736 0.382 19542 1270 1 5 . 1 1 51 51 SER CB C 51 64.457 64.457 62.799 1.658 19542 1271 1 5 . 1 1 51 51 SER H H 51 9.290 9.290 8.575 0.715 19542 1272 1 5 . 1 1 52 52 THR N N 52 112.156 112.156 118.559 -6.403 19542 1273 1 5 . 1 1 52 52 THR HA H 52 4.692 4.692 4.479 0.213 19542 1274 1 5 . 1 1 52 52 THR CA C 52 59.835 59.835 61.005 -1.170 19542 1275 1 5 . 1 1 52 52 THR CB C 52 71.872 71.872 71.509 0.363 19542 1276 1 5 . 1 1 52 52 THR H H 52 7.624 7.624 7.340 0.284 19542 1277 1 5 . 1 1 53 53 ASP N N 53 119.869 119.869 121.438 -1.569 19542 1278 1 5 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.446 0.524 19542 1279 1 5 . 1 1 53 53 ASP CA C 53 55.485 55.485 54.984 0.501 19542 1280 1 5 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.718 0.004 19542 1281 1 5 . 1 1 53 53 ASP H H 53 8.410 8.410 8.644 -0.234 19542 1282 1 5 . 1 1 54 54 ARG N N 54 111.677 111.677 116.841 -5.164 19542 1283 1 5 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.659 -0.474 19542 1284 1 5 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.470 0.492 19542 1285 1 5 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.211 1.218 19542 1286 1 5 . 1 1 54 54 ARG H H 54 9.306 9.306 8.675 0.631 19542 1287 1 5 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.474 0.087 19542 1288 1 5 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.349 -1.535 19542 1289 1 5 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.098 19.138 19542 1290 1 5 . 1 1 55 55 CYS H H 55 7.995 7.995 7.916 0.079 19542 1291 1 5 . 1 1 56 56 ASN N N 56 121.881 121.881 120.662 1.219 19542 1292 1 5 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.576 0.234 19542 1293 1 5 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.777 -0.411 19542 1294 1 5 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.352 1.485 19542 1295 1 5 . 1 1 56 56 ASN H H 56 8.755 8.755 8.557 0.198 19542 1296 1 6 . 1 1 2 2 LYS N N 2 126.352 126.352 121.948 4.404 19542 1297 1 6 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.264 0.126 19542 1298 1 6 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.655 -0.253 19542 1299 1 6 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.216 -3.482 19542 1300 1 6 . 1 1 2 2 LYS H H 2 8.381 8.381 8.281 0.100 19542 1301 1 6 . 1 1 3 3 CYS N N 3 117.974 117.974 120.680 -2.706 19542 1302 1 6 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.572 0.387 19542 1303 1 6 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.081 -6.809 19542 1304 1 6 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.130 9.909 19542 1305 1 6 . 1 1 3 3 CYS H H 3 8.394 8.394 9.007 -0.613 19542 1306 1 6 . 1 1 4 4 PHE N N 4 120.016 120.016 121.266 -1.250 19542 1307 1 6 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.910 -0.304 19542 1308 1 6 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.227 2.492 19542 1309 1 6 . 1 1 4 4 PHE H H 4 9.550 9.550 9.286 0.264 19542 1310 1 6 . 1 1 5 5 GLN N N 5 120.517 120.517 122.968 -2.451 19542 1311 1 6 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.393 0.029 19542 1312 1 6 . 1 1 5 5 GLN CA C 5 56.003 56.003 58.032 -2.029 19542 1313 1 6 . 1 1 5 5 GLN CB C 5 32.594 32.594 30.163 2.431 19542 1314 1 6 . 1 1 5 5 GLN H H 5 9.406 9.406 7.938 1.468 19542 1315 1 6 . 1 1 6 6 HIS N N 6 118.478 118.478 113.856 4.622 19542 1316 1 6 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.742 -0.264 19542 1317 1 6 . 1 1 6 6 HIS CA C 6 56.627 56.627 54.883 1.744 19542 1318 1 6 . 1 1 6 6 HIS CB C 6 27.976 27.976 29.939 -1.963 19542 1319 1 6 . 1 1 6 6 HIS H H 6 8.827 8.827 7.707 1.120 19542 1320 1 6 . 1 1 7 7 GLY N N 7 103.072 103.072 108.504 -5.432 19542 1321 1 6 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.235 0.689 19542 1322 1 6 . 1 1 7 7 GLY H H 7 8.440 8.440 8.706 -0.266 19542 1323 1 6 . 1 1 8 8 LYS N N 8 119.909 119.909 120.810 -0.901 19542 1324 1 6 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.902 -0.074 19542 1325 1 6 . 1 1 8 8 LYS CB C 8 35.493 35.493 34.866 0.627 19542 1326 1 6 . 1 1 8 8 LYS H H 8 7.703 7.703 7.894 -0.191 19542 1327 1 6 . 1 1 9 9 VAL N N 9 122.232 122.232 121.884 0.348 19542 1328 1 6 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.709 0.103 19542 1329 1 6 . 1 1 9 9 VAL CA C 9 63.286 63.286 63.117 0.169 19542 1330 1 6 . 1 1 9 9 VAL CB C 9 26.812 26.812 31.312 -4.500 19542 1331 1 6 . 1 1 9 9 VAL H H 9 8.552 8.552 8.483 0.069 19542 1332 1 6 . 1 1 10 10 VAL N N 10 123.963 123.963 124.106 -0.143 19542 1333 1 6 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.700 -0.094 19542 1334 1 6 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.734 0.658 19542 1335 1 6 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.782 -1.000 19542 1336 1 6 . 1 1 10 10 VAL H H 10 8.920 8.920 8.792 0.128 19542 1337 1 6 . 1 1 11 11 THR N N 11 118.572 118.572 119.940 -1.368 19542 1338 1 6 . 1 1 11 11 THR HA H 11 4.443 4.443 4.615 -0.172 19542 1339 1 6 . 1 1 11 11 THR CA C 11 62.719 62.719 62.665 0.054 19542 1340 1 6 . 1 1 11 11 THR CB C 11 68.689 68.689 69.013 -0.324 19542 1341 1 6 . 1 1 11 11 THR H H 11 8.517 8.517 8.076 0.441 19542 1342 1 6 . 1 1 12 12 CYS N N 12 126.835 126.835 126.186 0.649 19542 1343 1 6 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.421 0.250 19542 1344 1 6 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.667 -5.631 19542 1345 1 6 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.358 11.534 19542 1346 1 6 . 1 1 12 12 CYS H H 12 8.970 8.970 8.691 0.279 19542 1347 1 6 . 1 1 13 13 HIS N N 13 121.091 121.091 123.170 -2.079 19542 1348 1 6 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.531 0.118 19542 1349 1 6 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.272 -1.774 19542 1350 1 6 . 1 1 13 13 HIS H H 13 9.015 9.015 8.581 0.434 19542 1351 1 6 . 1 1 14 14 ARG N N 14 120.872 120.872 119.801 1.071 19542 1352 1 6 . 1 1 14 14 ARG HA H 14 4.043 4.043 4.070 -0.027 19542 1353 1 6 . 1 1 14 14 ARG CA C 14 58.962 58.962 57.174 1.788 19542 1354 1 6 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.426 0.588 19542 1355 1 6 . 1 1 14 14 ARG H H 14 8.689 8.689 7.965 0.724 19542 1356 1 6 . 1 1 15 15 ASP N N 15 121.233 121.233 118.577 2.656 19542 1357 1 6 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.616 -0.113 19542 1358 1 6 . 1 1 15 15 ASP CA C 15 54.306 54.306 56.349 -2.043 19542 1359 1 6 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.363 -2.256 19542 1360 1 6 . 1 1 15 15 ASP H H 15 8.907 8.907 7.851 1.056 19542 1361 1 6 . 1 1 16 16 MET N N 16 119.073 119.073 118.713 0.360 19542 1362 1 6 . 1 1 16 16 MET HA H 16 4.415 4.415 4.525 -0.110 19542 1363 1 6 . 1 1 16 16 MET CA C 16 55.995 55.995 55.527 0.468 19542 1364 1 6 . 1 1 16 16 MET CB C 16 32.662 32.662 32.137 0.525 19542 1365 1 6 . 1 1 16 16 MET H H 16 7.811 7.811 7.611 0.200 19542 1366 1 6 . 1 1 17 17 LYS N N 17 120.187 120.187 121.714 -1.527 19542 1367 1 6 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.212 0.055 19542 1368 1 6 . 1 1 17 17 LYS CA C 17 55.889 55.889 56.756 -0.867 19542 1369 1 6 . 1 1 17 17 LYS CB C 17 34.106 34.106 34.125 -0.019 19542 1370 1 6 . 1 1 17 17 LYS H H 17 7.763 7.763 8.703 -0.940 19542 1371 1 6 . 1 1 18 18 PHE N N 18 115.631 115.631 117.211 -1.580 19542 1372 1 6 . 1 1 18 18 PHE HA H 18 5.113 5.113 4.990 0.123 19542 1373 1 6 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.479 0.492 19542 1374 1 6 . 1 1 18 18 PHE CB C 18 43.018 43.018 42.928 0.090 19542 1375 1 6 . 1 1 18 18 PHE H H 18 8.252 8.252 8.281 -0.029 19542 1376 1 6 . 1 1 19 19 CYS N N 19 115.508 115.508 121.518 -6.010 19542 1377 1 6 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.456 0.546 19542 1378 1 6 . 1 1 19 19 CYS CA C 19 52.258 52.258 57.800 -5.543 19542 1379 1 6 . 1 1 19 19 CYS CB C 19 38.627 38.627 27.229 11.398 19542 1380 1 6 . 1 1 19 19 CYS H H 19 9.343 9.343 9.357 -0.014 19542 1381 1 6 . 1 1 20 20 TYR N N 20 128.934 128.934 121.234 7.700 19542 1382 1 6 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.468 0.739 19542 1383 1 6 . 1 1 20 20 TYR CA C 20 55.701 55.701 55.073 0.628 19542 1384 1 6 . 1 1 20 20 TYR CB C 20 43.184 43.184 40.521 2.663 19542 1385 1 6 . 1 1 20 20 TYR H H 20 8.871 8.871 9.224 -0.353 19542 1386 1 6 . 1 1 21 21 HIS N N 21 122.079 122.079 122.868 -0.789 19542 1387 1 6 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.854 0.429 19542 1388 1 6 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.245 0.468 19542 1389 1 6 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.635 0.084 19542 1390 1 6 . 1 1 21 21 HIS H H 21 8.797 8.797 9.389 -0.592 19542 1391 1 6 . 1 1 22 22 ASN N N 22 128.444 128.444 128.323 0.121 19542 1392 1 6 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.405 0.441 19542 1393 1 6 . 1 1 22 22 ASN CA C 22 52.512 52.512 52.221 0.291 19542 1394 1 6 . 1 1 22 22 ASN CB C 22 40.821 40.821 40.871 -0.050 19542 1395 1 6 . 1 1 22 22 ASN H H 22 9.823 9.823 8.878 0.945 19542 1396 1 6 . 1 1 23 23 THR N N 23 116.691 116.691 119.684 -2.993 19542 1397 1 6 . 1 1 23 23 THR HA H 23 4.604 4.604 5.119 -0.515 19542 1398 1 6 . 1 1 23 23 THR CA C 23 57.003 57.003 59.306 -2.304 19542 1399 1 6 . 1 1 23 23 THR CB C 23 69.344 69.344 70.691 -1.347 19542 1400 1 6 . 1 1 23 23 THR H H 23 8.561 8.561 7.346 1.215 19542 1401 1 6 . 1 1 24 24 GLY N N 24 110.763 110.763 109.214 1.549 19542 1402 1 6 . 1 1 24 24 GLY CA C 24 44.993 44.993 44.376 0.617 19542 1403 1 6 . 1 1 24 24 GLY H H 24 8.608 8.608 8.318 0.290 19542 1404 1 6 . 1 1 25 25 MET N N 25 120.520 120.520 121.128 -0.608 19542 1405 1 6 . 1 1 25 25 MET HA H 25 4.818 4.818 4.688 0.130 19542 1406 1 6 . 1 1 25 25 MET CA C 25 53.892 53.892 53.892 -0.000 19542 1407 1 6 . 1 1 25 25 MET CB C 25 32.399 32.399 32.721 -0.322 19542 1408 1 6 . 1 1 25 25 MET H H 25 8.418 8.418 8.368 0.050 19542 1409 1 6 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.396 -0.019 19542 1410 1 6 . 1 1 26 26 PRO CA C 26 63.841 63.841 63.237 0.604 19542 1411 1 6 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.071 0.679 19542 1412 1 6 . 1 1 27 27 PHE N N 27 118.056 118.056 123.699 -5.643 19542 1413 1 6 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.678 -0.053 19542 1414 1 6 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.193 1.139 19542 1415 1 6 . 1 1 27 27 PHE CB C 27 39.701 39.701 43.019 -3.318 19542 1416 1 6 . 1 1 27 27 PHE H H 27 7.988 7.988 7.869 0.119 19542 1417 1 6 . 1 1 28 28 ARG N N 28 121.294 121.294 123.918 -2.624 19542 1418 1 6 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.319 -0.260 19542 1419 1 6 . 1 1 28 28 ARG CA C 28 57.142 57.142 57.228 -0.086 19542 1420 1 6 . 1 1 28 28 ARG CB C 28 29.711 29.711 29.989 -0.278 19542 1421 1 6 . 1 1 28 28 ARG H H 28 8.333 8.333 8.850 -0.517 19542 1422 1 6 . 1 1 29 29 ASN N N 29 116.243 116.243 115.777 0.466 19542 1423 1 6 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.413 0.183 19542 1424 1 6 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.219 -0.424 19542 1425 1 6 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.780 0.459 19542 1426 1 6 . 1 1 29 29 ASN H H 29 8.356 8.356 8.892 -0.536 19542 1427 1 6 . 1 1 30 30 LEU N N 30 121.660 121.660 121.335 0.325 19542 1428 1 6 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.610 -0.165 19542 1429 1 6 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.521 0.682 19542 1430 1 6 . 1 1 30 30 LEU CB C 30 42.982 42.982 42.402 0.580 19542 1431 1 6 . 1 1 30 30 LEU H H 30 8.028 8.028 7.684 0.344 19542 1432 1 6 . 1 1 31 31 LYS N N 31 120.928 120.928 126.491 -5.563 19542 1433 1 6 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.535 -0.157 19542 1434 1 6 . 1 1 31 31 LYS CA C 31 56.271 56.271 55.419 0.852 19542 1435 1 6 . 1 1 31 31 LYS CB C 31 32.230 32.230 32.964 -0.734 19542 1436 1 6 . 1 1 31 31 LYS H H 31 8.306 8.306 8.482 -0.176 19542 1437 1 6 . 1 1 32 32 LEU N N 32 122.843 122.843 127.811 -4.968 19542 1438 1 6 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.586 -0.140 19542 1439 1 6 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.263 0.221 19542 1440 1 6 . 1 1 32 32 LEU CB C 32 43.404 43.404 43.329 0.075 19542 1441 1 6 . 1 1 32 32 LEU H H 32 8.027 8.027 8.703 -0.676 19542 1442 1 6 . 1 1 33 33 ILE N N 33 123.311 123.311 127.396 -4.085 19542 1443 1 6 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.439 -0.056 19542 1444 1 6 . 1 1 33 33 ILE CA C 33 60.595 60.595 60.047 0.548 19542 1445 1 6 . 1 1 33 33 ILE CB C 33 38.303 38.303 36.970 1.333 19542 1446 1 6 . 1 1 33 33 ILE H H 33 8.327 8.327 8.463 -0.136 19542 1447 1 6 . 1 1 34 34 LEU N N 34 128.669 128.669 128.803 -0.134 19542 1448 1 6 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.707 0.087 19542 1449 1 6 . 1 1 34 34 LEU CB C 34 42.873 42.873 41.936 0.937 19542 1450 1 6 . 1 1 34 34 LEU H H 34 8.880 8.880 8.447 0.433 19542 1451 1 6 . 1 1 35 35 GLN N N 35 121.600 121.600 120.387 1.213 19542 1452 1 6 . 1 1 35 35 GLN HA H 35 4.588 4.588 5.177 -0.589 19542 1453 1 6 . 1 1 35 35 GLN CA C 35 61.390 61.390 54.376 7.014 19542 1454 1 6 . 1 1 35 35 GLN CB C 35 33.866 33.866 30.814 3.053 19542 1455 1 6 . 1 1 35 35 GLN H H 35 8.210 8.210 8.486 -0.276 19542 1456 1 6 . 1 1 36 36 GLY N N 36 106.726 106.726 109.342 -2.616 19542 1457 1 6 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.326 2.552 19542 1458 1 6 . 1 1 36 36 GLY H H 36 6.121 6.121 7.265 -1.144 19542 1459 1 6 . 1 1 37 37 CYS N N 37 124.584 124.584 118.591 5.993 19542 1460 1 6 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.403 0.471 19542 1461 1 6 . 1 1 37 37 CYS CA C 37 55.955 55.955 58.003 -2.048 19542 1462 1 6 . 1 1 37 37 CYS CB C 37 48.202 48.202 28.546 19.656 19542 1463 1 6 . 1 1 37 37 CYS H H 37 8.505 8.505 8.696 -0.191 19542 1464 1 6 . 1 1 38 38 SER N N 38 115.036 115.036 119.161 -4.125 19542 1465 1 6 . 1 1 38 38 SER HA H 38 4.980 4.980 5.015 -0.035 19542 1466 1 6 . 1 1 38 38 SER CA C 38 58.792 58.792 56.626 2.166 19542 1467 1 6 . 1 1 38 38 SER CB C 38 65.971 65.971 66.120 -0.149 19542 1468 1 6 . 1 1 38 38 SER H H 38 9.749 9.749 9.390 0.359 19542 1469 1 6 . 1 1 39 39 SER N N 39 117.276 117.276 119.066 -1.790 19542 1470 1 6 . 1 1 39 39 SER HA H 39 4.827 4.827 4.927 -0.100 19542 1471 1 6 . 1 1 39 39 SER CA C 39 60.040 60.040 58.482 1.558 19542 1472 1 6 . 1 1 39 39 SER CB C 39 63.784 63.784 63.621 0.163 19542 1473 1 6 . 1 1 39 39 SER H H 39 9.161 9.161 8.984 0.177 19542 1474 1 6 . 1 1 40 40 SER N N 40 115.041 115.041 114.641 0.400 19542 1475 1 6 . 1 1 40 40 SER HA H 40 4.660 4.660 4.918 -0.258 19542 1476 1 6 . 1 1 40 40 SER CA C 40 55.868 55.868 57.142 -1.274 19542 1477 1 6 . 1 1 40 40 SER CB C 40 64.868 64.868 66.049 -1.181 19542 1478 1 6 . 1 1 40 40 SER H H 40 7.911 7.911 7.676 0.235 19542 1479 1 6 . 1 1 41 41 CYS N N 41 124.146 124.146 118.760 5.386 19542 1480 1 6 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.406 -0.097 19542 1481 1 6 . 1 1 41 41 CYS CA C 41 57.567 57.567 58.109 -0.542 19542 1482 1 6 . 1 1 41 41 CYS CB C 41 40.000 40.000 29.618 10.382 19542 1483 1 6 . 1 1 41 41 CYS H H 41 8.067 8.067 8.175 -0.108 19542 1484 1 6 . 1 1 42 42 SER N N 42 118.590 118.590 118.678 -0.088 19542 1485 1 6 . 1 1 42 42 SER HA H 42 4.611 4.611 4.632 -0.021 19542 1486 1 6 . 1 1 42 42 SER CA C 42 59.020 59.020 56.407 2.613 19542 1487 1 6 . 1 1 42 42 SER CB C 42 64.112 64.112 64.194 -0.082 19542 1488 1 6 . 1 1 42 42 SER H H 42 8.491 8.491 8.708 -0.217 19542 1489 1 6 . 1 1 43 43 GLU N N 43 118.830 118.830 128.358 -9.528 19542 1490 1 6 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.270 0.379 19542 1491 1 6 . 1 1 43 43 GLU CA C 43 56.856 56.856 56.540 0.316 19542 1492 1 6 . 1 1 43 43 GLU CB C 43 29.206 29.206 28.595 0.611 19542 1493 1 6 . 1 1 43 43 GLU H H 43 8.861 8.861 8.743 0.118 19542 1494 1 6 . 1 1 44 44 THR N N 44 117.954 117.954 117.485 0.469 19542 1495 1 6 . 1 1 44 44 THR HA H 44 4.619 4.619 4.597 0.022 19542 1496 1 6 . 1 1 44 44 THR CB C 44 72.341 72.341 71.510 0.831 19542 1497 1 6 . 1 1 44 44 THR H H 44 9.030 9.030 7.893 1.137 19542 1498 1 6 . 1 1 45 45 GLU N N 45 127.100 127.100 119.094 8.006 19542 1499 1 6 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.265 -0.171 19542 1500 1 6 . 1 1 45 45 GLU CA C 45 58.934 58.934 57.383 1.551 19542 1501 1 6 . 1 1 45 45 GLU CB C 45 27.009 27.009 30.219 -3.210 19542 1502 1 6 . 1 1 45 45 GLU H H 45 8.837 8.837 8.701 0.136 19542 1503 1 6 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.573 0.329 19542 1504 1 6 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.136 -0.892 19542 1505 1 6 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.229 0.824 19542 1506 1 6 . 1 1 46 46 ASN H H 46 8.018 8.018 8.081 -0.063 19542 1507 1 6 . 1 1 47 47 ASN N N 47 120.765 120.765 118.233 2.532 19542 1508 1 6 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.024 0.338 19542 1509 1 6 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.812 1.167 19542 1510 1 6 . 1 1 47 47 ASN CB C 47 41.749 41.749 39.226 2.523 19542 1511 1 6 . 1 1 47 47 ASN H H 47 7.835 7.835 7.614 0.221 19542 1512 1 6 . 1 1 48 48 LYS N N 48 123.576 123.576 125.887 -2.311 19542 1513 1 6 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.713 0.129 19542 1514 1 6 . 1 1 48 48 LYS CB C 48 34.398 34.398 35.056 -0.658 19542 1515 1 6 . 1 1 48 48 LYS H H 48 8.548 8.548 8.925 -0.377 19542 1516 1 6 . 1 1 49 49 CYS N N 49 116.141 116.141 118.714 -2.573 19542 1517 1 6 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.383 0.170 19542 1518 1 6 . 1 1 49 49 CYS CA C 49 53.386 53.386 57.981 -4.595 19542 1519 1 6 . 1 1 49 49 CYS CB C 49 44.935 44.935 28.388 16.547 19542 1520 1 6 . 1 1 49 49 CYS H H 49 8.873 8.873 8.591 0.282 19542 1521 1 6 . 1 1 50 50 CYS N N 50 118.484 118.484 123.163 -4.679 19542 1522 1 6 . 1 1 50 50 CYS HA H 50 5.265 5.265 5.022 0.243 19542 1523 1 6 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.255 -1.272 19542 1524 1 6 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.511 15.600 19542 1525 1 6 . 1 1 50 50 CYS H H 50 9.389 9.389 9.481 -0.092 19542 1526 1 6 . 1 1 51 51 SER N N 51 115.213 115.213 116.627 -1.414 19542 1527 1 6 . 1 1 51 51 SER HA H 51 5.016 5.016 4.690 0.326 19542 1528 1 6 . 1 1 51 51 SER CA C 51 58.118 58.118 57.922 0.196 19542 1529 1 6 . 1 1 51 51 SER CB C 51 64.457 64.457 62.965 1.492 19542 1530 1 6 . 1 1 51 51 SER H H 51 9.290 9.290 8.613 0.677 19542 1531 1 6 . 1 1 52 52 THR N N 52 112.156 112.156 118.534 -6.378 19542 1532 1 6 . 1 1 52 52 THR HA H 52 4.692 4.692 4.482 0.210 19542 1533 1 6 . 1 1 52 52 THR CA C 52 59.835 59.835 61.127 -1.292 19542 1534 1 6 . 1 1 52 52 THR CB C 52 71.872 71.872 71.096 0.776 19542 1535 1 6 . 1 1 52 52 THR H H 52 7.624 7.624 7.388 0.236 19542 1536 1 6 . 1 1 53 53 ASP N N 53 119.869 119.869 121.655 -1.786 19542 1537 1 6 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.455 0.515 19542 1538 1 6 . 1 1 53 53 ASP CA C 53 55.485 55.485 54.949 0.536 19542 1539 1 6 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.898 -0.176 19542 1540 1 6 . 1 1 53 53 ASP H H 53 8.410 8.410 8.651 -0.241 19542 1541 1 6 . 1 1 54 54 ARG N N 54 111.677 111.677 117.129 -5.452 19542 1542 1 6 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.652 -0.467 19542 1543 1 6 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.548 0.414 19542 1544 1 6 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.285 1.144 19542 1545 1 6 . 1 1 54 54 ARG H H 54 9.306 9.306 8.599 0.707 19542 1546 1 6 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.394 0.167 19542 1547 1 6 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.918 -2.104 19542 1548 1 6 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.224 19.012 19542 1549 1 6 . 1 1 55 55 CYS H H 55 7.995 7.995 7.876 0.119 19542 1550 1 6 . 1 1 56 56 ASN N N 56 121.881 121.881 119.691 2.190 19542 1551 1 6 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.568 0.242 19542 1552 1 6 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.579 -0.213 19542 1553 1 6 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.391 1.446 19542 1554 1 6 . 1 1 56 56 ASN H H 56 8.755 8.755 8.734 0.021 19542 1555 1 7 . 1 1 2 2 LYS N N 2 126.352 126.352 121.443 4.909 19542 1556 1 7 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.359 0.031 19542 1557 1 7 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.511 -0.109 19542 1558 1 7 . 1 1 2 2 LYS CB C 2 29.734 29.734 32.791 -3.057 19542 1559 1 7 . 1 1 2 2 LYS H H 2 8.381 8.381 9.368 -0.987 19542 1560 1 7 . 1 1 3 3 CYS N N 3 117.974 117.974 120.963 -2.989 19542 1561 1 7 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.573 0.386 19542 1562 1 7 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.363 -7.091 19542 1563 1 7 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.244 9.795 19542 1564 1 7 . 1 1 3 3 CYS H H 3 8.394 8.394 8.575 -0.181 19542 1565 1 7 . 1 1 4 4 PHE N N 4 120.016 120.016 121.618 -1.602 19542 1566 1 7 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.811 -0.205 19542 1567 1 7 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.055 2.664 19542 1568 1 7 . 1 1 4 4 PHE H H 4 9.550 9.550 9.312 0.238 19542 1569 1 7 . 1 1 5 5 GLN N N 5 120.517 120.517 121.799 -1.282 19542 1570 1 7 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.391 0.031 19542 1571 1 7 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.558 -1.555 19542 1572 1 7 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.832 2.761 19542 1573 1 7 . 1 1 5 5 GLN H H 5 9.406 9.406 8.061 1.345 19542 1574 1 7 . 1 1 6 6 HIS N N 6 118.478 118.478 118.062 0.416 19542 1575 1 7 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.646 -0.168 19542 1576 1 7 . 1 1 6 6 HIS CA C 6 56.627 56.627 55.952 0.675 19542 1577 1 7 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.753 -2.777 19542 1578 1 7 . 1 1 6 6 HIS H H 6 8.827 8.827 7.719 1.108 19542 1579 1 7 . 1 1 7 7 GLY N N 7 103.072 103.072 108.097 -5.025 19542 1580 1 7 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.680 0.244 19542 1581 1 7 . 1 1 7 7 GLY H H 7 8.440 8.440 8.620 -0.180 19542 1582 1 7 . 1 1 8 8 LYS N N 8 119.909 119.909 120.585 -0.676 19542 1583 1 7 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.870 -0.042 19542 1584 1 7 . 1 1 8 8 LYS CB C 8 35.493 35.493 34.328 1.165 19542 1585 1 7 . 1 1 8 8 LYS H H 8 7.703 7.703 8.027 -0.324 19542 1586 1 7 . 1 1 9 9 VAL N N 9 122.232 122.232 123.461 -1.229 19542 1587 1 7 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.523 0.289 19542 1588 1 7 . 1 1 9 9 VAL CA C 9 63.286 63.286 63.236 0.050 19542 1589 1 7 . 1 1 9 9 VAL CB C 9 26.812 26.812 30.801 -3.989 19542 1590 1 7 . 1 1 9 9 VAL H H 9 8.552 8.552 8.320 0.232 19542 1591 1 7 . 1 1 10 10 VAL N N 10 123.963 123.963 124.446 -0.483 19542 1592 1 7 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.623 -0.017 19542 1593 1 7 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.241 1.151 19542 1594 1 7 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.547 -0.765 19542 1595 1 7 . 1 1 10 10 VAL H H 10 8.920 8.920 8.556 0.364 19542 1596 1 7 . 1 1 11 11 THR N N 11 118.572 118.572 119.409 -0.837 19542 1597 1 7 . 1 1 11 11 THR HA H 11 4.443 4.443 4.438 0.005 19542 1598 1 7 . 1 1 11 11 THR CA C 11 62.719 62.719 62.886 -0.167 19542 1599 1 7 . 1 1 11 11 THR CB C 11 68.689 68.689 67.741 0.948 19542 1600 1 7 . 1 1 11 11 THR H H 11 8.517 8.517 8.171 0.346 19542 1601 1 7 . 1 1 12 12 CYS N N 12 126.835 126.835 126.272 0.563 19542 1602 1 7 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.474 0.197 19542 1603 1 7 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.931 -5.895 19542 1604 1 7 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.795 11.097 19542 1605 1 7 . 1 1 12 12 CYS H H 12 8.970 8.970 8.629 0.341 19542 1606 1 7 . 1 1 13 13 HIS N N 13 121.091 121.091 123.363 -2.272 19542 1607 1 7 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.463 0.186 19542 1608 1 7 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.747 -2.249 19542 1609 1 7 . 1 1 13 13 HIS H H 13 9.015 9.015 8.579 0.436 19542 1610 1 7 . 1 1 14 14 ARG N N 14 120.872 120.872 121.599 -0.727 19542 1611 1 7 . 1 1 14 14 ARG HA H 14 4.043 4.043 3.964 0.079 19542 1612 1 7 . 1 1 14 14 ARG CA C 14 58.962 58.962 58.384 0.578 19542 1613 1 7 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.648 0.365 19542 1614 1 7 . 1 1 14 14 ARG H H 14 8.689 8.689 8.127 0.562 19542 1615 1 7 . 1 1 15 15 ASP N N 15 121.233 121.233 118.099 3.134 19542 1616 1 7 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.715 -0.212 19542 1617 1 7 . 1 1 15 15 ASP CA C 15 54.306 54.306 55.240 -0.934 19542 1618 1 7 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.694 -2.587 19542 1619 1 7 . 1 1 15 15 ASP H H 15 8.907 8.907 7.910 0.997 19542 1620 1 7 . 1 1 16 16 MET N N 16 119.073 119.073 119.028 0.045 19542 1621 1 7 . 1 1 16 16 MET HA H 16 4.415 4.415 4.536 -0.121 19542 1622 1 7 . 1 1 16 16 MET CA C 16 55.995 55.995 55.279 0.716 19542 1623 1 7 . 1 1 16 16 MET CB C 16 32.662 32.662 31.146 1.516 19542 1624 1 7 . 1 1 16 16 MET H H 16 7.811 7.811 7.673 0.138 19542 1625 1 7 . 1 1 17 17 LYS N N 17 120.187 120.187 122.362 -2.175 19542 1626 1 7 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.162 0.105 19542 1627 1 7 . 1 1 17 17 LYS CA C 17 55.889 55.889 57.133 -1.244 19542 1628 1 7 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.315 0.791 19542 1629 1 7 . 1 1 17 17 LYS H H 17 7.763 7.763 8.264 -0.501 19542 1630 1 7 . 1 1 18 18 PHE N N 18 115.631 115.631 116.305 -0.674 19542 1631 1 7 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.124 -0.011 19542 1632 1 7 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.166 0.805 19542 1633 1 7 . 1 1 18 18 PHE CB C 18 43.018 43.018 42.870 0.149 19542 1634 1 7 . 1 1 18 18 PHE H H 18 8.252 8.252 7.927 0.325 19542 1635 1 7 . 1 1 19 19 CYS N N 19 115.508 115.508 120.317 -4.809 19542 1636 1 7 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.287 0.715 19542 1637 1 7 . 1 1 19 19 CYS CA C 19 52.258 52.258 58.040 -5.782 19542 1638 1 7 . 1 1 19 19 CYS CB C 19 38.627 38.627 27.902 10.725 19542 1639 1 7 . 1 1 19 19 CYS H H 19 9.343 9.343 9.386 -0.043 19542 1640 1 7 . 1 1 20 20 TYR N N 20 128.934 128.934 118.735 10.199 19542 1641 1 7 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.952 0.255 19542 1642 1 7 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.893 0.808 19542 1643 1 7 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.613 1.571 19542 1644 1 7 . 1 1 20 20 TYR H H 20 8.871 8.871 9.255 -0.384 19542 1645 1 7 . 1 1 21 21 HIS N N 21 122.079 122.079 123.288 -1.209 19542 1646 1 7 . 1 1 21 21 HIS HA H 21 5.283 5.283 5.032 0.251 19542 1647 1 7 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.269 0.444 19542 1648 1 7 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.994 -0.275 19542 1649 1 7 . 1 1 21 21 HIS H H 21 8.797 8.797 9.093 -0.296 19542 1650 1 7 . 1 1 22 22 ASN N N 22 128.444 128.444 128.375 0.069 19542 1651 1 7 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.135 0.711 19542 1652 1 7 . 1 1 22 22 ASN CA C 22 52.512 52.512 51.896 0.616 19542 1653 1 7 . 1 1 22 22 ASN CB C 22 40.821 40.821 39.498 1.323 19542 1654 1 7 . 1 1 22 22 ASN H H 22 9.823 9.823 9.192 0.631 19542 1655 1 7 . 1 1 23 23 THR N N 23 116.691 116.691 119.091 -2.400 19542 1656 1 7 . 1 1 23 23 THR HA H 23 4.604 4.604 3.871 0.733 19542 1657 1 7 . 1 1 23 23 THR CA C 23 57.003 57.003 64.062 -7.059 19542 1658 1 7 . 1 1 23 23 THR CB C 23 69.344 69.344 69.367 -0.023 19542 1659 1 7 . 1 1 23 23 THR H H 23 8.561 8.561 8.691 -0.130 19542 1660 1 7 . 1 1 24 24 GLY N N 24 110.763 110.763 109.862 0.901 19542 1661 1 7 . 1 1 24 24 GLY CA C 24 44.993 44.993 44.849 0.144 19542 1662 1 7 . 1 1 24 24 GLY H H 24 8.608 8.608 8.443 0.165 19542 1663 1 7 . 1 1 25 25 MET N N 25 120.520 120.520 121.491 -0.971 19542 1664 1 7 . 1 1 25 25 MET HA H 25 4.818 4.818 4.467 0.351 19542 1665 1 7 . 1 1 25 25 MET CA C 25 53.892 53.892 52.282 1.610 19542 1666 1 7 . 1 1 25 25 MET CB C 25 32.399 32.399 31.752 0.647 19542 1667 1 7 . 1 1 25 25 MET H H 25 8.418 8.418 8.119 0.299 19542 1668 1 7 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.264 0.113 19542 1669 1 7 . 1 1 26 26 PRO CA C 26 63.841 63.841 63.026 0.814 19542 1670 1 7 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.253 0.496 19542 1671 1 7 . 1 1 27 27 PHE N N 27 118.056 118.056 122.909 -4.853 19542 1672 1 7 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.726 -0.101 19542 1673 1 7 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.566 0.766 19542 1674 1 7 . 1 1 27 27 PHE CB C 27 39.701 39.701 41.678 -1.977 19542 1675 1 7 . 1 1 27 27 PHE H H 27 7.988 7.988 8.134 -0.146 19542 1676 1 7 . 1 1 28 28 ARG N N 28 121.294 121.294 124.307 -3.013 19542 1677 1 7 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.450 -0.391 19542 1678 1 7 . 1 1 28 28 ARG CA C 28 57.142 57.142 56.431 0.711 19542 1679 1 7 . 1 1 28 28 ARG CB C 28 29.711 29.711 30.730 -1.019 19542 1680 1 7 . 1 1 28 28 ARG H H 28 8.333 8.333 8.877 -0.544 19542 1681 1 7 . 1 1 29 29 ASN N N 29 116.243 116.243 118.984 -2.741 19542 1682 1 7 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.382 0.214 19542 1683 1 7 . 1 1 29 29 ASN CA C 29 53.795 53.795 53.905 -0.110 19542 1684 1 7 . 1 1 29 29 ASN CB C 29 38.239 38.239 38.317 -0.078 19542 1685 1 7 . 1 1 29 29 ASN H H 29 8.356 8.356 8.956 -0.600 19542 1686 1 7 . 1 1 30 30 LEU N N 30 121.660 121.660 119.852 1.808 19542 1687 1 7 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.565 -0.120 19542 1688 1 7 . 1 1 30 30 LEU CA C 30 55.203 55.203 55.163 0.040 19542 1689 1 7 . 1 1 30 30 LEU CB C 30 42.982 42.982 44.525 -1.543 19542 1690 1 7 . 1 1 30 30 LEU H H 30 8.028 8.028 7.551 0.477 19542 1691 1 7 . 1 1 31 31 LYS N N 31 120.928 120.928 125.452 -4.524 19542 1692 1 7 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.589 -0.211 19542 1693 1 7 . 1 1 31 31 LYS CA C 31 56.271 56.271 54.719 1.552 19542 1694 1 7 . 1 1 31 31 LYS CB C 31 32.230 32.230 32.162 0.068 19542 1695 1 7 . 1 1 31 31 LYS H H 31 8.306 8.306 8.493 -0.187 19542 1696 1 7 . 1 1 32 32 LEU N N 32 122.843 122.843 126.547 -3.704 19542 1697 1 7 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.500 -0.054 19542 1698 1 7 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.716 -0.232 19542 1699 1 7 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.073 1.331 19542 1700 1 7 . 1 1 32 32 LEU H H 32 8.027 8.027 8.756 -0.729 19542 1701 1 7 . 1 1 33 33 ILE N N 33 123.311 123.311 127.576 -4.265 19542 1702 1 7 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.423 -0.040 19542 1703 1 7 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.763 0.832 19542 1704 1 7 . 1 1 33 33 ILE CB C 33 38.303 38.303 38.309 -0.007 19542 1705 1 7 . 1 1 33 33 ILE H H 33 8.327 8.327 8.347 -0.020 19542 1706 1 7 . 1 1 34 34 LEU N N 34 128.669 128.669 128.559 0.110 19542 1707 1 7 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.789 0.005 19542 1708 1 7 . 1 1 34 34 LEU CB C 34 42.873 42.873 42.412 0.461 19542 1709 1 7 . 1 1 34 34 LEU H H 34 8.880 8.880 8.713 0.167 19542 1710 1 7 . 1 1 35 35 GLN N N 35 121.600 121.600 121.249 0.351 19542 1711 1 7 . 1 1 35 35 GLN HA H 35 4.588 4.588 5.197 -0.609 19542 1712 1 7 . 1 1 35 35 GLN CA C 35 61.390 61.390 54.387 7.003 19542 1713 1 7 . 1 1 35 35 GLN CB C 35 33.866 33.866 30.885 2.981 19542 1714 1 7 . 1 1 35 35 GLN H H 35 8.210 8.210 8.298 -0.088 19542 1715 1 7 . 1 1 36 36 GLY N N 36 106.726 106.726 109.323 -2.597 19542 1716 1 7 . 1 1 36 36 GLY CA C 36 45.878 45.878 44.004 1.874 19542 1717 1 7 . 1 1 36 36 GLY H H 36 6.121 6.121 7.202 -1.081 19542 1718 1 7 . 1 1 37 37 CYS N N 37 124.584 124.584 118.083 6.501 19542 1719 1 7 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.343 0.531 19542 1720 1 7 . 1 1 37 37 CYS CA C 37 55.955 55.955 58.348 -2.393 19542 1721 1 7 . 1 1 37 37 CYS CB C 37 48.202 48.202 30.034 18.168 19542 1722 1 7 . 1 1 37 37 CYS H H 37 8.505 8.505 8.332 0.173 19542 1723 1 7 . 1 1 38 38 SER N N 38 115.036 115.036 118.265 -3.229 19542 1724 1 7 . 1 1 38 38 SER HA H 38 4.980 4.980 5.060 -0.080 19542 1725 1 7 . 1 1 38 38 SER CA C 38 58.792 58.792 56.568 2.224 19542 1726 1 7 . 1 1 38 38 SER CB C 38 65.971 65.971 65.766 0.205 19542 1727 1 7 . 1 1 38 38 SER H H 38 9.749 9.749 9.420 0.329 19542 1728 1 7 . 1 1 39 39 SER N N 39 117.276 117.276 122.365 -5.089 19542 1729 1 7 . 1 1 39 39 SER HA H 39 4.827 4.827 4.973 -0.146 19542 1730 1 7 . 1 1 39 39 SER CA C 39 60.040 60.040 60.636 -0.596 19542 1731 1 7 . 1 1 39 39 SER CB C 39 63.784 63.784 64.082 -0.298 19542 1732 1 7 . 1 1 39 39 SER H H 39 9.161 9.161 9.027 0.134 19542 1733 1 7 . 1 1 40 40 SER N N 40 115.041 115.041 115.033 0.008 19542 1734 1 7 . 1 1 40 40 SER HA H 40 4.660 4.660 4.754 -0.094 19542 1735 1 7 . 1 1 40 40 SER CA C 40 55.868 55.868 58.001 -2.133 19542 1736 1 7 . 1 1 40 40 SER CB C 40 64.868 64.868 64.789 0.079 19542 1737 1 7 . 1 1 40 40 SER H H 40 7.911 7.911 7.710 0.201 19542 1738 1 7 . 1 1 41 41 CYS N N 41 124.146 124.146 123.856 0.290 19542 1739 1 7 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.399 -0.090 19542 1740 1 7 . 1 1 41 41 CYS CA C 41 57.567 57.567 57.770 -0.203 19542 1741 1 7 . 1 1 41 41 CYS CB C 41 40.000 40.000 28.855 11.145 19542 1742 1 7 . 1 1 41 41 CYS H H 41 8.067 8.067 8.155 -0.088 19542 1743 1 7 . 1 1 42 42 SER N N 42 118.590 118.590 122.056 -3.466 19542 1744 1 7 . 1 1 42 42 SER HA H 42 4.611 4.611 4.413 0.198 19542 1745 1 7 . 1 1 42 42 SER CA C 42 59.020 59.020 57.453 1.567 19542 1746 1 7 . 1 1 42 42 SER CB C 42 64.112 64.112 63.820 0.292 19542 1747 1 7 . 1 1 42 42 SER H H 42 8.491 8.491 8.543 -0.052 19542 1748 1 7 . 1 1 43 43 GLU N N 43 118.830 118.830 128.096 -9.266 19542 1749 1 7 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.008 0.641 19542 1750 1 7 . 1 1 43 43 GLU CA C 43 56.856 56.856 57.358 -0.502 19542 1751 1 7 . 1 1 43 43 GLU CB C 43 29.206 29.206 28.876 0.330 19542 1752 1 7 . 1 1 43 43 GLU H H 43 8.861 8.861 8.760 0.101 19542 1753 1 7 . 1 1 44 44 THR N N 44 117.954 117.954 116.870 1.084 19542 1754 1 7 . 1 1 44 44 THR HA H 44 4.619 4.619 4.662 -0.043 19542 1755 1 7 . 1 1 44 44 THR CB C 44 72.341 72.341 70.955 1.386 19542 1756 1 7 . 1 1 44 44 THR H H 44 9.030 9.030 8.481 0.549 19542 1757 1 7 . 1 1 45 45 GLU N N 45 127.100 127.100 120.187 6.913 19542 1758 1 7 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.121 -0.027 19542 1759 1 7 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.765 0.169 19542 1760 1 7 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.395 -2.386 19542 1761 1 7 . 1 1 45 45 GLU H H 45 8.837 8.837 8.817 0.020 19542 1762 1 7 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.453 0.449 19542 1763 1 7 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.966 -1.722 19542 1764 1 7 . 1 1 46 46 ASN CB C 46 40.053 40.053 38.657 1.396 19542 1765 1 7 . 1 1 46 46 ASN H H 46 8.018 8.018 8.200 -0.182 19542 1766 1 7 . 1 1 47 47 ASN N N 47 120.765 120.765 119.102 1.663 19542 1767 1 7 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.067 0.295 19542 1768 1 7 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.378 1.601 19542 1769 1 7 . 1 1 47 47 ASN CB C 47 41.749 41.749 39.863 1.886 19542 1770 1 7 . 1 1 47 47 ASN H H 47 7.835 7.835 8.126 -0.291 19542 1771 1 7 . 1 1 48 48 LYS N N 48 123.576 123.576 128.679 -5.103 19542 1772 1 7 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.791 0.051 19542 1773 1 7 . 1 1 48 48 LYS CB C 48 34.398 34.398 33.638 0.760 19542 1774 1 7 . 1 1 48 48 LYS H H 48 8.548 8.548 8.684 -0.136 19542 1775 1 7 . 1 1 49 49 CYS N N 49 116.141 116.141 124.962 -8.821 19542 1776 1 7 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.659 -0.106 19542 1777 1 7 . 1 1 49 49 CYS CA C 49 53.386 53.386 57.407 -4.021 19542 1778 1 7 . 1 1 49 49 CYS CB C 49 44.935 44.935 27.206 17.729 19542 1779 1 7 . 1 1 49 49 CYS H H 49 8.873 8.873 8.655 0.218 19542 1780 1 7 . 1 1 50 50 CYS N N 50 118.484 118.484 121.476 -2.992 19542 1781 1 7 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.999 0.266 19542 1782 1 7 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.219 -1.236 19542 1783 1 7 . 1 1 50 50 CYS CB C 50 46.111 46.111 31.218 14.893 19542 1784 1 7 . 1 1 50 50 CYS H H 50 9.389 9.389 9.513 -0.124 19542 1785 1 7 . 1 1 51 51 SER N N 51 115.213 115.213 117.113 -1.900 19542 1786 1 7 . 1 1 51 51 SER HA H 51 5.016 5.016 4.763 0.253 19542 1787 1 7 . 1 1 51 51 SER CA C 51 58.118 58.118 57.125 0.993 19542 1788 1 7 . 1 1 51 51 SER CB C 51 64.457 64.457 62.178 2.279 19542 1789 1 7 . 1 1 51 51 SER H H 51 9.290 9.290 8.685 0.605 19542 1790 1 7 . 1 1 52 52 THR N N 52 112.156 112.156 118.005 -5.849 19542 1791 1 7 . 1 1 52 52 THR HA H 52 4.692 4.692 4.440 0.252 19542 1792 1 7 . 1 1 52 52 THR CA C 52 59.835 59.835 61.492 -1.657 19542 1793 1 7 . 1 1 52 52 THR CB C 52 71.872 71.872 71.762 0.110 19542 1794 1 7 . 1 1 52 52 THR H H 52 7.624 7.624 7.751 -0.127 19542 1795 1 7 . 1 1 53 53 ASP N N 53 119.869 119.869 123.585 -3.716 19542 1796 1 7 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.432 0.538 19542 1797 1 7 . 1 1 53 53 ASP CA C 53 55.485 55.485 56.113 -0.628 19542 1798 1 7 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.927 -0.205 19542 1799 1 7 . 1 1 53 53 ASP H H 53 8.410 8.410 8.533 -0.123 19542 1800 1 7 . 1 1 54 54 ARG N N 54 111.677 111.677 117.229 -5.552 19542 1801 1 7 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.731 -0.546 19542 1802 1 7 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.626 0.336 19542 1803 1 7 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.158 1.271 19542 1804 1 7 . 1 1 54 54 ARG H H 54 9.306 9.306 8.560 0.746 19542 1805 1 7 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.470 0.091 19542 1806 1 7 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.706 -1.892 19542 1807 1 7 . 1 1 55 55 CYS CB C 55 46.236 46.236 26.667 19.569 19542 1808 1 7 . 1 1 55 55 CYS H H 55 7.995 7.995 7.972 0.023 19542 1809 1 7 . 1 1 56 56 ASN N N 56 121.881 121.881 118.001 3.880 19542 1810 1 7 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.701 0.109 19542 1811 1 7 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.781 -0.415 19542 1812 1 7 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.984 0.853 19542 1813 1 7 . 1 1 56 56 ASN H H 56 8.755 8.755 8.624 0.131 19542 1814 1 8 . 1 1 2 2 LYS N N 2 126.352 126.352 122.249 4.103 19542 1815 1 8 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.145 0.245 19542 1816 1 8 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.721 -0.319 19542 1817 1 8 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.370 -3.636 19542 1818 1 8 . 1 1 2 2 LYS H H 2 8.381 8.381 8.222 0.159 19542 1819 1 8 . 1 1 3 3 CYS N N 3 117.974 117.974 120.862 -2.888 19542 1820 1 8 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.492 0.467 19542 1821 1 8 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.327 -7.055 19542 1822 1 8 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.253 9.786 19542 1823 1 8 . 1 1 3 3 CYS H H 3 8.394 8.394 9.080 -0.686 19542 1824 1 8 . 1 1 4 4 PHE N N 4 120.016 120.016 121.140 -1.124 19542 1825 1 8 . 1 1 4 4 PHE HA H 4 4.606 4.606 5.073 -0.467 19542 1826 1 8 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.230 2.489 19542 1827 1 8 . 1 1 4 4 PHE H H 4 9.550 9.550 9.192 0.358 19542 1828 1 8 . 1 1 5 5 GLN N N 5 120.517 120.517 123.202 -2.685 19542 1829 1 8 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.029 0.393 19542 1830 1 8 . 1 1 5 5 GLN CA C 5 56.003 56.003 58.140 -2.137 19542 1831 1 8 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.580 3.014 19542 1832 1 8 . 1 1 5 5 GLN H H 5 9.406 9.406 7.971 1.435 19542 1833 1 8 . 1 1 6 6 HIS N N 6 118.478 118.478 114.055 4.423 19542 1834 1 8 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.681 -0.203 19542 1835 1 8 . 1 1 6 6 HIS CA C 6 56.627 56.627 56.449 0.178 19542 1836 1 8 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.594 -2.618 19542 1837 1 8 . 1 1 6 6 HIS H H 6 8.827 8.827 7.773 1.054 19542 1838 1 8 . 1 1 7 7 GLY N N 7 103.072 103.072 107.436 -4.364 19542 1839 1 8 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.327 0.597 19542 1840 1 8 . 1 1 7 7 GLY H H 7 8.440 8.440 8.305 0.135 19542 1841 1 8 . 1 1 8 8 LYS N N 8 119.909 119.909 120.263 -0.354 19542 1842 1 8 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.846 -0.018 19542 1843 1 8 . 1 1 8 8 LYS CB C 8 35.493 35.493 35.068 0.425 19542 1844 1 8 . 1 1 8 8 LYS H H 8 7.703 7.703 7.784 -0.081 19542 1845 1 8 . 1 1 9 9 VAL N N 9 122.232 122.232 123.172 -0.940 19542 1846 1 8 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.799 0.013 19542 1847 1 8 . 1 1 9 9 VAL CA C 9 63.286 63.286 63.092 0.194 19542 1848 1 8 . 1 1 9 9 VAL CB C 9 26.812 26.812 30.722 -3.910 19542 1849 1 8 . 1 1 9 9 VAL H H 9 8.552 8.552 8.580 -0.028 19542 1850 1 8 . 1 1 10 10 VAL N N 10 123.963 123.963 123.910 0.053 19542 1851 1 8 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.757 -0.151 19542 1852 1 8 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.389 1.003 19542 1853 1 8 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.495 -0.713 19542 1854 1 8 . 1 1 10 10 VAL H H 10 8.920 8.920 8.648 0.272 19542 1855 1 8 . 1 1 11 11 THR N N 11 118.572 118.572 119.333 -0.761 19542 1856 1 8 . 1 1 11 11 THR HA H 11 4.443 4.443 4.568 -0.125 19542 1857 1 8 . 1 1 11 11 THR CA C 11 62.719 62.719 62.858 -0.139 19542 1858 1 8 . 1 1 11 11 THR CB C 11 68.689 68.689 68.821 -0.132 19542 1859 1 8 . 1 1 11 11 THR H H 11 8.517 8.517 8.238 0.279 19542 1860 1 8 . 1 1 12 12 CYS N N 12 126.835 126.835 125.793 1.042 19542 1861 1 8 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.370 0.301 19542 1862 1 8 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.673 -5.637 19542 1863 1 8 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.589 11.303 19542 1864 1 8 . 1 1 12 12 CYS H H 12 8.970 8.970 8.677 0.293 19542 1865 1 8 . 1 1 13 13 HIS N N 13 121.091 121.091 121.324 -0.233 19542 1866 1 8 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.514 0.135 19542 1867 1 8 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.358 -1.860 19542 1868 1 8 . 1 1 13 13 HIS H H 13 9.015 9.015 8.519 0.496 19542 1869 1 8 . 1 1 14 14 ARG N N 14 120.872 120.872 122.013 -1.141 19542 1870 1 8 . 1 1 14 14 ARG HA H 14 4.043 4.043 4.118 -0.075 19542 1871 1 8 . 1 1 14 14 ARG CA C 14 58.962 58.962 57.908 1.054 19542 1872 1 8 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.767 0.246 19542 1873 1 8 . 1 1 14 14 ARG H H 14 8.689 8.689 8.114 0.575 19542 1874 1 8 . 1 1 15 15 ASP N N 15 121.233 121.233 118.225 3.008 19542 1875 1 8 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.902 -0.399 19542 1876 1 8 . 1 1 15 15 ASP CA C 15 54.306 54.306 54.227 0.079 19542 1877 1 8 . 1 1 15 15 ASP CB C 15 39.107 39.107 42.694 -3.587 19542 1878 1 8 . 1 1 15 15 ASP H H 15 8.907 8.907 8.165 0.742 19542 1879 1 8 . 1 1 16 16 MET N N 16 119.073 119.073 119.429 -0.356 19542 1880 1 8 . 1 1 16 16 MET HA H 16 4.415 4.415 4.612 -0.197 19542 1881 1 8 . 1 1 16 16 MET CA C 16 55.995 55.995 54.898 1.097 19542 1882 1 8 . 1 1 16 16 MET CB C 16 32.662 32.662 32.245 0.417 19542 1883 1 8 . 1 1 16 16 MET H H 16 7.811 7.811 7.798 0.013 19542 1884 1 8 . 1 1 17 17 LYS N N 17 120.187 120.187 123.791 -3.604 19542 1885 1 8 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.283 -0.016 19542 1886 1 8 . 1 1 17 17 LYS CA C 17 55.889 55.889 56.462 -0.573 19542 1887 1 8 . 1 1 17 17 LYS CB C 17 34.106 34.106 34.543 -0.437 19542 1888 1 8 . 1 1 17 17 LYS H H 17 7.763 7.763 8.491 -0.728 19542 1889 1 8 . 1 1 18 18 PHE N N 18 115.631 115.631 117.221 -1.590 19542 1890 1 8 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.086 0.027 19542 1891 1 8 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.430 0.541 19542 1892 1 8 . 1 1 18 18 PHE CB C 18 43.018 43.018 42.990 0.028 19542 1893 1 8 . 1 1 18 18 PHE H H 18 8.252 8.252 8.365 -0.113 19542 1894 1 8 . 1 1 19 19 CYS N N 19 115.508 115.508 120.210 -4.702 19542 1895 1 8 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.189 0.813 19542 1896 1 8 . 1 1 19 19 CYS CA C 19 52.258 52.258 58.024 -5.766 19542 1897 1 8 . 1 1 19 19 CYS CB C 19 38.627 38.627 28.104 10.523 19542 1898 1 8 . 1 1 19 19 CYS H H 19 9.343 9.343 9.445 -0.102 19542 1899 1 8 . 1 1 20 20 TYR N N 20 128.934 128.934 119.013 9.921 19542 1900 1 8 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.759 0.448 19542 1901 1 8 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.875 0.826 19542 1902 1 8 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.278 1.906 19542 1903 1 8 . 1 1 20 20 TYR H H 20 8.871 8.871 9.110 -0.238 19542 1904 1 8 . 1 1 21 21 HIS N N 21 122.079 122.079 122.831 -0.752 19542 1905 1 8 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.914 0.369 19542 1906 1 8 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.377 0.336 19542 1907 1 8 . 1 1 21 21 HIS CB C 21 31.719 31.719 32.196 -0.477 19542 1908 1 8 . 1 1 21 21 HIS H H 21 8.797 8.797 9.375 -0.578 19542 1909 1 8 . 1 1 22 22 ASN N N 22 128.444 128.444 127.875 0.569 19542 1910 1 8 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.180 0.666 19542 1911 1 8 . 1 1 22 22 ASN CA C 22 52.512 52.512 51.912 0.600 19542 1912 1 8 . 1 1 22 22 ASN CB C 22 40.821 40.821 39.709 1.113 19542 1913 1 8 . 1 1 22 22 ASN H H 22 9.823 9.823 8.912 0.911 19542 1914 1 8 . 1 1 23 23 THR N N 23 116.691 116.691 117.836 -1.145 19542 1915 1 8 . 1 1 23 23 THR HA H 23 4.604 4.604 4.056 0.548 19542 1916 1 8 . 1 1 23 23 THR CA C 23 57.003 57.003 64.272 -7.269 19542 1917 1 8 . 1 1 23 23 THR CB C 23 69.344 69.344 69.376 -0.032 19542 1918 1 8 . 1 1 23 23 THR H H 23 8.561 8.561 8.301 0.260 19542 1919 1 8 . 1 1 24 24 GLY N N 24 110.763 110.763 111.466 -0.703 19542 1920 1 8 . 1 1 24 24 GLY CA C 24 44.993 44.993 45.280 -0.287 19542 1921 1 8 . 1 1 24 24 GLY H H 24 8.608 8.608 8.462 0.146 19542 1922 1 8 . 1 1 25 25 MET N N 25 120.520 120.520 122.714 -2.194 19542 1923 1 8 . 1 1 25 25 MET HA H 25 4.818 4.818 4.657 0.161 19542 1924 1 8 . 1 1 25 25 MET CA C 25 53.892 53.892 52.475 1.417 19542 1925 1 8 . 1 1 25 25 MET CB C 25 32.399 32.399 33.818 -1.419 19542 1926 1 8 . 1 1 25 25 MET H H 25 8.418 8.418 8.188 0.230 19542 1927 1 8 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.497 -0.120 19542 1928 1 8 . 1 1 26 26 PRO CA C 26 63.841 63.841 62.591 1.250 19542 1929 1 8 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.842 -0.092 19542 1930 1 8 . 1 1 27 27 PHE N N 27 118.056 118.056 123.834 -5.778 19542 1931 1 8 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.782 -0.157 19542 1932 1 8 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.506 0.826 19542 1933 1 8 . 1 1 27 27 PHE CB C 27 39.701 39.701 42.035 -2.334 19542 1934 1 8 . 1 1 27 27 PHE H H 27 7.988 7.988 8.027 -0.039 19542 1935 1 8 . 1 1 28 28 ARG N N 28 121.294 121.294 123.842 -2.548 19542 1936 1 8 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.235 -0.176 19542 1937 1 8 . 1 1 28 28 ARG CA C 28 57.142 57.142 57.703 -0.561 19542 1938 1 8 . 1 1 28 28 ARG CB C 28 29.711 29.711 30.286 -0.575 19542 1939 1 8 . 1 1 28 28 ARG H H 28 8.333 8.333 8.998 -0.665 19542 1940 1 8 . 1 1 29 29 ASN N N 29 116.243 116.243 116.106 0.137 19542 1941 1 8 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.398 0.198 19542 1942 1 8 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.097 -0.302 19542 1943 1 8 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.699 0.540 19542 1944 1 8 . 1 1 29 29 ASN H H 29 8.356 8.356 8.892 -0.536 19542 1945 1 8 . 1 1 30 30 LEU N N 30 121.660 121.660 119.979 1.681 19542 1946 1 8 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.631 -0.186 19542 1947 1 8 . 1 1 30 30 LEU CA C 30 55.203 55.203 55.149 0.054 19542 1948 1 8 . 1 1 30 30 LEU CB C 30 42.982 42.982 43.728 -0.746 19542 1949 1 8 . 1 1 30 30 LEU H H 30 8.028 8.028 7.720 0.308 19542 1950 1 8 . 1 1 31 31 LYS N N 31 120.928 120.928 126.781 -5.853 19542 1951 1 8 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.385 -0.007 19542 1952 1 8 . 1 1 31 31 LYS CA C 31 56.271 56.271 55.698 0.573 19542 1953 1 8 . 1 1 31 31 LYS CB C 31 32.230 32.230 32.092 0.138 19542 1954 1 8 . 1 1 31 31 LYS H H 31 8.306 8.306 8.448 -0.142 19542 1955 1 8 . 1 1 32 32 LEU N N 32 122.843 122.843 127.134 -4.291 19542 1956 1 8 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.366 0.080 19542 1957 1 8 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.831 -0.347 19542 1958 1 8 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.528 0.876 19542 1959 1 8 . 1 1 32 32 LEU H H 32 8.027 8.027 8.309 -0.282 19542 1960 1 8 . 1 1 33 33 ILE N N 33 123.311 123.311 127.858 -4.547 19542 1961 1 8 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.403 -0.020 19542 1962 1 8 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.699 0.896 19542 1963 1 8 . 1 1 33 33 ILE CB C 33 38.303 38.303 37.788 0.516 19542 1964 1 8 . 1 1 33 33 ILE H H 33 8.327 8.327 8.407 -0.080 19542 1965 1 8 . 1 1 34 34 LEU N N 34 128.669 128.669 129.045 -0.376 19542 1966 1 8 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.750 0.044 19542 1967 1 8 . 1 1 34 34 LEU CB C 34 42.873 42.873 42.082 0.791 19542 1968 1 8 . 1 1 34 34 LEU H H 34 8.880 8.880 8.914 -0.034 19542 1969 1 8 . 1 1 35 35 GLN N N 35 121.600 121.600 120.201 1.399 19542 1970 1 8 . 1 1 35 35 GLN HA H 35 4.588 4.588 4.886 -0.298 19542 1971 1 8 . 1 1 35 35 GLN CA C 35 61.390 61.390 55.229 6.161 19542 1972 1 8 . 1 1 35 35 GLN CB C 35 33.866 33.866 30.034 3.833 19542 1973 1 8 . 1 1 35 35 GLN H H 35 8.210 8.210 8.388 -0.178 19542 1974 1 8 . 1 1 36 36 GLY N N 36 106.726 106.726 109.678 -2.952 19542 1975 1 8 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.268 2.610 19542 1976 1 8 . 1 1 36 36 GLY H H 36 6.121 6.121 7.839 -1.718 19542 1977 1 8 . 1 1 37 37 CYS N N 37 124.584 124.584 118.333 6.251 19542 1978 1 8 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.244 0.630 19542 1979 1 8 . 1 1 37 37 CYS CA C 37 55.955 55.955 57.719 -1.764 19542 1980 1 8 . 1 1 37 37 CYS CB C 37 48.202 48.202 29.811 18.391 19542 1981 1 8 . 1 1 37 37 CYS H H 37 8.505 8.505 8.426 0.079 19542 1982 1 8 . 1 1 38 38 SER N N 38 115.036 115.036 117.499 -2.463 19542 1983 1 8 . 1 1 38 38 SER HA H 38 4.980 4.980 5.099 -0.119 19542 1984 1 8 . 1 1 38 38 SER CA C 38 58.792 58.792 56.501 2.291 19542 1985 1 8 . 1 1 38 38 SER CB C 38 65.971 65.971 65.018 0.953 19542 1986 1 8 . 1 1 38 38 SER H H 38 9.749 9.749 9.275 0.474 19542 1987 1 8 . 1 1 39 39 SER N N 39 117.276 117.276 116.699 0.577 19542 1988 1 8 . 1 1 39 39 SER HA H 39 4.827 4.827 5.047 -0.220 19542 1989 1 8 . 1 1 39 39 SER CA C 39 60.040 60.040 58.913 1.127 19542 1990 1 8 . 1 1 39 39 SER CB C 39 63.784 63.784 63.820 -0.036 19542 1991 1 8 . 1 1 39 39 SER H H 39 9.161 9.161 8.883 0.278 19542 1992 1 8 . 1 1 40 40 SER N N 40 115.041 115.041 114.316 0.725 19542 1993 1 8 . 1 1 40 40 SER HA H 40 4.660 4.660 4.774 -0.114 19542 1994 1 8 . 1 1 40 40 SER CA C 40 55.868 55.868 57.516 -1.648 19542 1995 1 8 . 1 1 40 40 SER CB C 40 64.868 64.868 65.918 -1.050 19542 1996 1 8 . 1 1 40 40 SER H H 40 7.911 7.911 7.706 0.205 19542 1997 1 8 . 1 1 41 41 CYS N N 41 124.146 124.146 118.872 5.274 19542 1998 1 8 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.563 -0.254 19542 1999 1 8 . 1 1 41 41 CYS CA C 41 57.567 57.567 56.667 0.900 19542 2000 1 8 . 1 1 41 41 CYS CB C 41 40.000 40.000 28.823 11.177 19542 2001 1 8 . 1 1 41 41 CYS H H 41 8.067 8.067 7.938 0.129 19542 2002 1 8 . 1 1 42 42 SER N N 42 118.590 118.590 118.705 -0.115 19542 2003 1 8 . 1 1 42 42 SER HA H 42 4.611 4.611 4.520 0.091 19542 2004 1 8 . 1 1 42 42 SER CA C 42 59.020 59.020 57.999 1.020 19542 2005 1 8 . 1 1 42 42 SER CB C 42 64.112 64.112 64.099 0.013 19542 2006 1 8 . 1 1 42 42 SER H H 42 8.491 8.491 8.277 0.214 19542 2007 1 8 . 1 1 43 43 GLU N N 43 118.830 118.830 119.020 -0.190 19542 2008 1 8 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.248 0.401 19542 2009 1 8 . 1 1 43 43 GLU CA C 43 56.856 56.856 57.111 -0.256 19542 2010 1 8 . 1 1 43 43 GLU CB C 43 29.206 29.206 29.673 -0.467 19542 2011 1 8 . 1 1 43 43 GLU H H 43 8.861 8.861 8.502 0.359 19542 2012 1 8 . 1 1 44 44 THR N N 44 117.954 117.954 114.711 3.243 19542 2013 1 8 . 1 1 44 44 THR HA H 44 4.619 4.619 4.451 0.168 19542 2014 1 8 . 1 1 44 44 THR CB C 44 72.341 72.341 70.494 1.847 19542 2015 1 8 . 1 1 44 44 THR H H 44 9.030 9.030 7.617 1.413 19542 2016 1 8 . 1 1 45 45 GLU N N 45 127.100 127.100 125.890 1.210 19542 2017 1 8 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.251 -0.157 19542 2018 1 8 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.392 0.542 19542 2019 1 8 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.924 -2.915 19542 2020 1 8 . 1 1 45 45 GLU H H 45 8.837 8.837 8.825 0.012 19542 2021 1 8 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.341 0.561 19542 2022 1 8 . 1 1 46 46 ASN CA C 46 53.244 53.244 56.249 -3.005 19542 2023 1 8 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.054 0.999 19542 2024 1 8 . 1 1 46 46 ASN H H 46 8.018 8.018 7.941 0.077 19542 2025 1 8 . 1 1 47 47 ASN N N 47 120.765 120.765 117.160 3.605 19542 2026 1 8 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.294 0.068 19542 2027 1 8 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.266 1.713 19542 2028 1 8 . 1 1 47 47 ASN CB C 47 41.749 41.749 39.736 2.013 19542 2029 1 8 . 1 1 47 47 ASN H H 47 7.835 7.835 7.930 -0.095 19542 2030 1 8 . 1 1 48 48 LYS N N 48 123.576 123.576 125.742 -2.166 19542 2031 1 8 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.672 0.170 19542 2032 1 8 . 1 1 48 48 LYS CB C 48 34.398 34.398 34.124 0.274 19542 2033 1 8 . 1 1 48 48 LYS H H 48 8.548 8.548 8.819 -0.271 19542 2034 1 8 . 1 1 49 49 CYS N N 49 116.141 116.141 117.478 -1.337 19542 2035 1 8 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.803 -0.250 19542 2036 1 8 . 1 1 49 49 CYS CA C 49 53.386 53.386 55.895 -2.509 19542 2037 1 8 . 1 1 49 49 CYS CB C 49 44.935 44.935 28.908 16.027 19542 2038 1 8 . 1 1 49 49 CYS H H 49 8.873 8.873 8.498 0.375 19542 2039 1 8 . 1 1 50 50 CYS N N 50 118.484 118.484 121.987 -3.503 19542 2040 1 8 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.964 0.301 19542 2041 1 8 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.867 -1.884 19542 2042 1 8 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.482 15.629 19542 2043 1 8 . 1 1 50 50 CYS H H 50 9.389 9.389 9.282 0.107 19542 2044 1 8 . 1 1 51 51 SER N N 51 115.213 115.213 116.030 -0.817 19542 2045 1 8 . 1 1 51 51 SER HA H 51 5.016 5.016 4.847 0.169 19542 2046 1 8 . 1 1 51 51 SER CA C 51 58.118 58.118 57.927 0.191 19542 2047 1 8 . 1 1 51 51 SER CB C 51 64.457 64.457 63.190 1.267 19542 2048 1 8 . 1 1 51 51 SER H H 51 9.290 9.290 8.581 0.709 19542 2049 1 8 . 1 1 52 52 THR N N 52 112.156 112.156 117.941 -5.785 19542 2050 1 8 . 1 1 52 52 THR HA H 52 4.692 4.692 4.498 0.194 19542 2051 1 8 . 1 1 52 52 THR CA C 52 59.835 59.835 61.751 -1.916 19542 2052 1 8 . 1 1 52 52 THR CB C 52 71.872 71.872 72.209 -0.337 19542 2053 1 8 . 1 1 52 52 THR H H 52 7.624 7.624 7.352 0.272 19542 2054 1 8 . 1 1 53 53 ASP N N 53 119.869 119.869 122.223 -2.354 19542 2055 1 8 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.333 0.637 19542 2056 1 8 . 1 1 53 53 ASP CA C 53 55.485 55.485 55.579 -0.094 19542 2057 1 8 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.926 -0.204 19542 2058 1 8 . 1 1 53 53 ASP H H 53 8.410 8.410 8.710 -0.300 19542 2059 1 8 . 1 1 54 54 ARG N N 54 111.677 111.677 120.094 -8.417 19542 2060 1 8 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.538 -0.353 19542 2061 1 8 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.589 0.373 19542 2062 1 8 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.135 1.294 19542 2063 1 8 . 1 1 54 54 ARG H H 54 9.306 9.306 8.559 0.747 19542 2064 1 8 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.513 0.048 19542 2065 1 8 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.538 -1.724 19542 2066 1 8 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.259 18.977 19542 2067 1 8 . 1 1 55 55 CYS H H 55 7.995 7.995 7.901 0.094 19542 2068 1 8 . 1 1 56 56 ASN N N 56 121.881 121.881 119.299 2.582 19542 2069 1 8 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.705 0.105 19542 2070 1 8 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.631 -0.265 19542 2071 1 8 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.590 1.247 19542 2072 1 8 . 1 1 56 56 ASN H H 56 8.755 8.755 8.720 0.035 19542 2073 1 9 . 1 1 2 2 LYS N N 2 126.352 126.352 121.947 4.405 19542 2074 1 9 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.480 -0.090 19542 2075 1 9 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.295 0.107 19542 2076 1 9 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.047 -3.313 19542 2077 1 9 . 1 1 2 2 LYS H H 2 8.381 8.381 9.158 -0.777 19542 2078 1 9 . 1 1 3 3 CYS N N 3 117.974 117.974 120.796 -2.822 19542 2079 1 9 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.505 0.454 19542 2080 1 9 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.187 -6.915 19542 2081 1 9 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.202 9.837 19542 2082 1 9 . 1 1 3 3 CYS H H 3 8.394 8.394 8.527 -0.133 19542 2083 1 9 . 1 1 4 4 PHE N N 4 120.016 120.016 120.761 -0.745 19542 2084 1 9 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.934 -0.329 19542 2085 1 9 . 1 1 4 4 PHE CB C 4 39.719 39.719 36.785 2.934 19542 2086 1 9 . 1 1 4 4 PHE H H 4 9.550 9.550 9.211 0.339 19542 2087 1 9 . 1 1 5 5 GLN N N 5 120.517 120.517 122.519 -2.002 19542 2088 1 9 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.293 0.129 19542 2089 1 9 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.670 -1.667 19542 2090 1 9 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.676 2.918 19542 2091 1 9 . 1 1 5 5 GLN H H 5 9.406 9.406 7.980 1.426 19542 2092 1 9 . 1 1 6 6 HIS N N 6 118.478 118.478 117.782 0.696 19542 2093 1 9 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.657 -0.179 19542 2094 1 9 . 1 1 6 6 HIS CA C 6 56.627 56.627 56.101 0.526 19542 2095 1 9 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.362 -2.386 19542 2096 1 9 . 1 1 6 6 HIS H H 6 8.827 8.827 7.516 1.311 19542 2097 1 9 . 1 1 7 7 GLY N N 7 103.072 103.072 106.246 -3.174 19542 2098 1 9 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.223 0.701 19542 2099 1 9 . 1 1 7 7 GLY H H 7 8.440 8.440 8.472 -0.032 19542 2100 1 9 . 1 1 8 8 LYS N N 8 119.909 119.909 120.902 -0.993 19542 2101 1 9 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.828 0.000 19542 2102 1 9 . 1 1 8 8 LYS CB C 8 35.493 35.493 34.586 0.907 19542 2103 1 9 . 1 1 8 8 LYS H H 8 7.703 7.703 7.892 -0.189 19542 2104 1 9 . 1 1 9 9 VAL N N 9 122.232 122.232 122.285 -0.053 19542 2105 1 9 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.763 0.049 19542 2106 1 9 . 1 1 9 9 VAL CA C 9 63.286 63.286 63.003 0.283 19542 2107 1 9 . 1 1 9 9 VAL CB C 9 26.812 26.812 30.448 -3.636 19542 2108 1 9 . 1 1 9 9 VAL H H 9 8.552 8.552 8.487 0.065 19542 2109 1 9 . 1 1 10 10 VAL N N 10 123.963 123.963 125.615 -1.652 19542 2110 1 9 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.712 -0.106 19542 2111 1 9 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.637 0.755 19542 2112 1 9 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.130 -0.348 19542 2113 1 9 . 1 1 10 10 VAL H H 10 8.920 8.920 8.696 0.224 19542 2114 1 9 . 1 1 11 11 THR N N 11 118.572 118.572 120.319 -1.747 19542 2115 1 9 . 1 1 11 11 THR HA H 11 4.443 4.443 4.556 -0.113 19542 2116 1 9 . 1 1 11 11 THR CA C 11 62.719 62.719 62.723 -0.004 19542 2117 1 9 . 1 1 11 11 THR CB C 11 68.689 68.689 68.451 0.238 19542 2118 1 9 . 1 1 11 11 THR H H 11 8.517 8.517 8.137 0.380 19542 2119 1 9 . 1 1 12 12 CYS N N 12 126.835 126.835 126.161 0.674 19542 2120 1 9 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.498 0.173 19542 2121 1 9 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.945 -5.909 19542 2122 1 9 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.239 11.653 19542 2123 1 9 . 1 1 12 12 CYS H H 12 8.970 8.970 8.605 0.365 19542 2124 1 9 . 1 1 13 13 HIS N N 13 121.091 121.091 122.893 -1.802 19542 2125 1 9 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.525 0.124 19542 2126 1 9 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.218 -1.720 19542 2127 1 9 . 1 1 13 13 HIS H H 13 9.015 9.015 8.678 0.337 19542 2128 1 9 . 1 1 14 14 ARG N N 14 120.872 120.872 119.838 1.034 19542 2129 1 9 . 1 1 14 14 ARG HA H 14 4.043 4.043 4.114 -0.071 19542 2130 1 9 . 1 1 14 14 ARG CA C 14 58.962 58.962 57.812 1.150 19542 2131 1 9 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.980 0.034 19542 2132 1 9 . 1 1 14 14 ARG H H 14 8.689 8.689 8.096 0.593 19542 2133 1 9 . 1 1 15 15 ASP N N 15 121.233 121.233 118.302 2.931 19542 2134 1 9 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.561 -0.058 19542 2135 1 9 . 1 1 15 15 ASP CA C 15 54.306 54.306 56.216 -1.910 19542 2136 1 9 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.373 -2.265 19542 2137 1 9 . 1 1 15 15 ASP H H 15 8.907 8.907 7.765 1.142 19542 2138 1 9 . 1 1 16 16 MET N N 16 119.073 119.073 118.704 0.369 19542 2139 1 9 . 1 1 16 16 MET HA H 16 4.415 4.415 4.663 -0.248 19542 2140 1 9 . 1 1 16 16 MET CA C 16 55.995 55.995 54.832 1.163 19542 2141 1 9 . 1 1 16 16 MET CB C 16 32.662 32.662 31.283 1.379 19542 2142 1 9 . 1 1 16 16 MET H H 16 7.811 7.811 7.574 0.237 19542 2143 1 9 . 1 1 17 17 LYS N N 17 120.187 120.187 122.543 -2.356 19542 2144 1 9 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.252 0.015 19542 2145 1 9 . 1 1 17 17 LYS CA C 17 55.889 55.889 56.727 -0.838 19542 2146 1 9 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.337 0.769 19542 2147 1 9 . 1 1 17 17 LYS H H 17 7.763 7.763 8.300 -0.537 19542 2148 1 9 . 1 1 18 18 PHE N N 18 115.631 115.631 117.995 -2.364 19542 2149 1 9 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.102 0.011 19542 2150 1 9 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.522 0.449 19542 2151 1 9 . 1 1 18 18 PHE CB C 18 43.018 43.018 42.700 0.318 19542 2152 1 9 . 1 1 18 18 PHE H H 18 8.252 8.252 8.059 0.193 19542 2153 1 9 . 1 1 19 19 CYS N N 19 115.508 115.508 121.745 -6.237 19542 2154 1 9 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.309 0.693 19542 2155 1 9 . 1 1 19 19 CYS CA C 19 52.258 52.258 57.959 -5.701 19542 2156 1 9 . 1 1 19 19 CYS CB C 19 38.627 38.627 27.958 10.669 19542 2157 1 9 . 1 1 19 19 CYS H H 19 9.343 9.343 9.390 -0.047 19542 2158 1 9 . 1 1 20 20 TYR N N 20 128.934 128.934 118.924 10.010 19542 2159 1 9 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.797 0.410 19542 2160 1 9 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.911 0.790 19542 2161 1 9 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.187 1.997 19542 2162 1 9 . 1 1 20 20 TYR H H 20 8.871 8.871 9.225 -0.354 19542 2163 1 9 . 1 1 21 21 HIS N N 21 122.079 122.079 123.186 -1.107 19542 2164 1 9 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.860 0.423 19542 2165 1 9 . 1 1 21 21 HIS CA C 21 54.713 54.713 53.940 0.773 19542 2166 1 9 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.530 0.189 19542 2167 1 9 . 1 1 21 21 HIS H H 21 8.797 8.797 9.321 -0.524 19542 2168 1 9 . 1 1 22 22 ASN N N 22 128.444 128.444 128.779 -0.335 19542 2169 1 9 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.153 0.693 19542 2170 1 9 . 1 1 22 22 ASN CA C 22 52.512 52.512 52.465 0.047 19542 2171 1 9 . 1 1 22 22 ASN CB C 22 40.821 40.821 40.195 0.626 19542 2172 1 9 . 1 1 22 22 ASN H H 22 9.823 9.823 9.032 0.791 19542 2173 1 9 . 1 1 23 23 THR N N 23 116.691 116.691 119.722 -3.031 19542 2174 1 9 . 1 1 23 23 THR HA H 23 4.604 4.604 4.807 -0.203 19542 2175 1 9 . 1 1 23 23 THR CA C 23 57.003 57.003 59.750 -2.747 19542 2176 1 9 . 1 1 23 23 THR CB C 23 69.344 69.344 70.468 -1.124 19542 2177 1 9 . 1 1 23 23 THR H H 23 8.561 8.561 7.282 1.279 19542 2178 1 9 . 1 1 24 24 GLY N N 24 110.763 110.763 108.609 2.154 19542 2179 1 9 . 1 1 24 24 GLY CA C 24 44.993 44.993 45.511 -0.518 19542 2180 1 9 . 1 1 24 24 GLY H H 24 8.608 8.608 8.289 0.319 19542 2181 1 9 . 1 1 25 25 MET N N 25 120.520 120.520 119.713 0.807 19542 2182 1 9 . 1 1 25 25 MET HA H 25 4.818 4.818 4.676 0.142 19542 2183 1 9 . 1 1 25 25 MET CA C 25 53.892 53.892 52.170 1.722 19542 2184 1 9 . 1 1 25 25 MET CB C 25 32.399 32.399 34.696 -2.297 19542 2185 1 9 . 1 1 25 25 MET H H 25 8.418 8.418 7.301 1.117 19542 2186 1 9 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.271 0.106 19542 2187 1 9 . 1 1 26 26 PRO CA C 26 63.841 63.841 62.871 0.970 19542 2188 1 9 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.000 0.750 19542 2189 1 9 . 1 1 27 27 PHE N N 27 118.056 118.056 123.609 -5.553 19542 2190 1 9 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.580 0.045 19542 2191 1 9 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.435 0.897 19542 2192 1 9 . 1 1 27 27 PHE CB C 27 39.701 39.701 39.969 -0.268 19542 2193 1 9 . 1 1 27 27 PHE H H 27 7.988 7.988 7.619 0.369 19542 2194 1 9 . 1 1 28 28 ARG N N 28 121.294 121.294 124.219 -2.925 19542 2195 1 9 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.276 -0.217 19542 2196 1 9 . 1 1 28 28 ARG CA C 28 57.142 57.142 56.348 0.794 19542 2197 1 9 . 1 1 28 28 ARG CB C 28 29.711 29.711 29.518 0.193 19542 2198 1 9 . 1 1 28 28 ARG H H 28 8.333 8.333 8.941 -0.608 19542 2199 1 9 . 1 1 29 29 ASN N N 29 116.243 116.243 115.977 0.266 19542 2200 1 9 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.354 0.242 19542 2201 1 9 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.253 -0.458 19542 2202 1 9 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.499 0.739 19542 2203 1 9 . 1 1 29 29 ASN H H 29 8.356 8.356 8.939 -0.583 19542 2204 1 9 . 1 1 30 30 LEU N N 30 121.660 121.660 119.348 2.312 19542 2205 1 9 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.634 -0.189 19542 2206 1 9 . 1 1 30 30 LEU CA C 30 55.203 55.203 55.012 0.191 19542 2207 1 9 . 1 1 30 30 LEU CB C 30 42.982 42.982 44.806 -1.823 19542 2208 1 9 . 1 1 30 30 LEU H H 30 8.028 8.028 7.429 0.599 19542 2209 1 9 . 1 1 31 31 LYS N N 31 120.928 120.928 125.423 -4.495 19542 2210 1 9 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.560 -0.182 19542 2211 1 9 . 1 1 31 31 LYS CA C 31 56.271 56.271 55.172 1.099 19542 2212 1 9 . 1 1 31 31 LYS CB C 31 32.230 32.230 33.452 -1.222 19542 2213 1 9 . 1 1 31 31 LYS H H 31 8.306 8.306 8.409 -0.103 19542 2214 1 9 . 1 1 32 32 LEU N N 32 122.843 122.843 127.803 -4.960 19542 2215 1 9 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.486 -0.040 19542 2216 1 9 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.961 -0.476 19542 2217 1 9 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.813 0.591 19542 2218 1 9 . 1 1 32 32 LEU H H 32 8.027 8.027 8.915 -0.888 19542 2219 1 9 . 1 1 33 33 ILE N N 33 123.311 123.311 127.611 -4.300 19542 2220 1 9 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.490 -0.107 19542 2221 1 9 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.857 0.738 19542 2222 1 9 . 1 1 33 33 ILE CB C 33 38.303 38.303 37.125 1.178 19542 2223 1 9 . 1 1 33 33 ILE H H 33 8.327 8.327 8.259 0.068 19542 2224 1 9 . 1 1 34 34 LEU N N 34 128.669 128.669 129.634 -0.965 19542 2225 1 9 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.748 0.046 19542 2226 1 9 . 1 1 34 34 LEU CB C 34 42.873 42.873 40.824 2.050 19542 2227 1 9 . 1 1 34 34 LEU H H 34 8.880 8.880 8.556 0.324 19542 2228 1 9 . 1 1 35 35 GLN N N 35 121.600 121.600 120.503 1.097 19542 2229 1 9 . 1 1 35 35 GLN HA H 35 4.588 4.588 5.096 -0.508 19542 2230 1 9 . 1 1 35 35 GLN CA C 35 61.390 61.390 55.155 6.235 19542 2231 1 9 . 1 1 35 35 GLN CB C 35 33.866 33.866 30.618 3.248 19542 2232 1 9 . 1 1 35 35 GLN H H 35 8.210 8.210 7.658 0.552 19542 2233 1 9 . 1 1 36 36 GLY N N 36 106.726 106.726 109.609 -2.883 19542 2234 1 9 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.647 2.231 19542 2235 1 9 . 1 1 36 36 GLY H H 36 6.121 6.121 7.669 -1.548 19542 2236 1 9 . 1 1 37 37 CYS N N 37 124.584 124.584 119.158 5.426 19542 2237 1 9 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.397 0.477 19542 2238 1 9 . 1 1 37 37 CYS CA C 37 55.955 55.955 58.164 -2.209 19542 2239 1 9 . 1 1 37 37 CYS CB C 37 48.202 48.202 30.165 18.037 19542 2240 1 9 . 1 1 37 37 CYS H H 37 8.505 8.505 8.539 -0.034 19542 2241 1 9 . 1 1 38 38 SER N N 38 115.036 115.036 118.342 -3.306 19542 2242 1 9 . 1 1 38 38 SER HA H 38 4.980 4.980 5.005 -0.025 19542 2243 1 9 . 1 1 38 38 SER CA C 38 58.792 58.792 57.447 1.345 19542 2244 1 9 . 1 1 38 38 SER CB C 38 65.971 65.971 66.252 -0.281 19542 2245 1 9 . 1 1 38 38 SER H H 38 9.749 9.749 9.446 0.303 19542 2246 1 9 . 1 1 39 39 SER N N 39 117.276 117.276 118.706 -1.430 19542 2247 1 9 . 1 1 39 39 SER HA H 39 4.827 4.827 4.919 -0.092 19542 2248 1 9 . 1 1 39 39 SER CA C 39 60.040 60.040 59.377 0.663 19542 2249 1 9 . 1 1 39 39 SER CB C 39 63.784 63.784 63.650 0.134 19542 2250 1 9 . 1 1 39 39 SER H H 39 9.161 9.161 8.782 0.379 19542 2251 1 9 . 1 1 40 40 SER N N 40 115.041 115.041 115.382 -0.341 19542 2252 1 9 . 1 1 40 40 SER HA H 40 4.660 4.660 4.629 0.031 19542 2253 1 9 . 1 1 40 40 SER CA C 40 55.868 55.868 56.772 -0.903 19542 2254 1 9 . 1 1 40 40 SER CB C 40 64.868 64.868 65.528 -0.660 19542 2255 1 9 . 1 1 40 40 SER H H 40 7.911 7.911 7.610 0.301 19542 2256 1 9 . 1 1 41 41 CYS N N 41 124.146 124.146 120.082 4.064 19542 2257 1 9 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.515 -0.206 19542 2258 1 9 . 1 1 41 41 CYS CA C 41 57.567 57.567 57.401 0.166 19542 2259 1 9 . 1 1 41 41 CYS CB C 41 40.000 40.000 28.336 11.664 19542 2260 1 9 . 1 1 41 41 CYS H H 41 8.067 8.067 8.318 -0.251 19542 2261 1 9 . 1 1 42 42 SER N N 42 118.590 118.590 123.620 -5.030 19542 2262 1 9 . 1 1 42 42 SER HA H 42 4.611 4.611 4.388 0.223 19542 2263 1 9 . 1 1 42 42 SER CA C 42 59.020 59.020 57.351 1.669 19542 2264 1 9 . 1 1 42 42 SER CB C 42 64.112 64.112 62.437 1.675 19542 2265 1 9 . 1 1 42 42 SER H H 42 8.491 8.491 8.718 -0.227 19542 2266 1 9 . 1 1 43 43 GLU N N 43 118.830 118.830 124.998 -6.168 19542 2267 1 9 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.216 0.433 19542 2268 1 9 . 1 1 43 43 GLU CA C 43 56.856 56.856 56.562 0.294 19542 2269 1 9 . 1 1 43 43 GLU CB C 43 29.206 29.206 28.516 0.690 19542 2270 1 9 . 1 1 43 43 GLU H H 43 8.861 8.861 8.111 0.750 19542 2271 1 9 . 1 1 44 44 THR N N 44 117.954 117.954 116.253 1.701 19542 2272 1 9 . 1 1 44 44 THR HA H 44 4.619 4.619 4.505 0.114 19542 2273 1 9 . 1 1 44 44 THR CB C 44 72.341 72.341 70.842 1.499 19542 2274 1 9 . 1 1 44 44 THR H H 44 9.030 9.030 7.763 1.267 19542 2275 1 9 . 1 1 45 45 GLU N N 45 127.100 127.100 119.855 7.245 19542 2276 1 9 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.231 -0.137 19542 2277 1 9 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.028 0.906 19542 2278 1 9 . 1 1 45 45 GLU CB C 45 27.009 27.009 30.067 -3.058 19542 2279 1 9 . 1 1 45 45 GLU H H 45 8.837 8.837 8.731 0.106 19542 2280 1 9 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.533 0.369 19542 2281 1 9 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.271 -1.027 19542 2282 1 9 . 1 1 46 46 ASN CB C 46 40.053 40.053 38.824 1.229 19542 2283 1 9 . 1 1 46 46 ASN H H 46 8.018 8.018 8.123 -0.105 19542 2284 1 9 . 1 1 47 47 ASN N N 47 120.765 120.765 119.176 1.589 19542 2285 1 9 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.029 0.333 19542 2286 1 9 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.720 1.259 19542 2287 1 9 . 1 1 47 47 ASN CB C 47 41.749 41.749 38.956 2.793 19542 2288 1 9 . 1 1 47 47 ASN H H 47 7.835 7.835 7.518 0.317 19542 2289 1 9 . 1 1 48 48 LYS N N 48 123.576 123.576 126.969 -3.393 19542 2290 1 9 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.678 0.164 19542 2291 1 9 . 1 1 48 48 LYS CB C 48 34.398 34.398 33.168 1.230 19542 2292 1 9 . 1 1 48 48 LYS H H 48 8.548 8.548 8.551 -0.003 19542 2293 1 9 . 1 1 49 49 CYS N N 49 116.141 116.141 120.615 -4.474 19542 2294 1 9 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.899 -0.346 19542 2295 1 9 . 1 1 49 49 CYS CA C 49 53.386 53.386 55.922 -2.536 19542 2296 1 9 . 1 1 49 49 CYS CB C 49 44.935 44.935 27.711 17.224 19542 2297 1 9 . 1 1 49 49 CYS H H 49 8.873 8.873 8.752 0.121 19542 2298 1 9 . 1 1 50 50 CYS N N 50 118.484 118.484 121.947 -3.463 19542 2299 1 9 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.955 0.310 19542 2300 1 9 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.113 -1.130 19542 2301 1 9 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.918 15.193 19542 2302 1 9 . 1 1 50 50 CYS H H 50 9.389 9.389 9.391 -0.002 19542 2303 1 9 . 1 1 51 51 SER N N 51 115.213 115.213 115.695 -0.482 19542 2304 1 9 . 1 1 51 51 SER HA H 51 5.016 5.016 4.691 0.325 19542 2305 1 9 . 1 1 51 51 SER CA C 51 58.118 58.118 57.730 0.388 19542 2306 1 9 . 1 1 51 51 SER CB C 51 64.457 64.457 63.106 1.351 19542 2307 1 9 . 1 1 51 51 SER H H 51 9.290 9.290 8.539 0.751 19542 2308 1 9 . 1 1 52 52 THR N N 52 112.156 112.156 118.978 -6.822 19542 2309 1 9 . 1 1 52 52 THR HA H 52 4.692 4.692 4.493 0.199 19542 2310 1 9 . 1 1 52 52 THR CA C 52 59.835 59.835 61.299 -1.464 19542 2311 1 9 . 1 1 52 52 THR CB C 52 71.872 71.872 71.341 0.531 19542 2312 1 9 . 1 1 52 52 THR H H 52 7.624 7.624 7.299 0.325 19542 2313 1 9 . 1 1 53 53 ASP N N 53 119.869 119.869 123.618 -3.749 19542 2314 1 9 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.426 0.544 19542 2315 1 9 . 1 1 53 53 ASP CA C 53 55.485 55.485 55.907 -0.422 19542 2316 1 9 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.699 0.023 19542 2317 1 9 . 1 1 53 53 ASP H H 53 8.410 8.410 8.674 -0.264 19542 2318 1 9 . 1 1 54 54 ARG N N 54 111.677 111.677 118.570 -6.893 19542 2319 1 9 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.680 -0.495 19542 2320 1 9 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.285 0.677 19542 2321 1 9 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.061 1.368 19542 2322 1 9 . 1 1 54 54 ARG H H 54 9.306 9.306 8.437 0.869 19542 2323 1 9 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.445 0.116 19542 2324 1 9 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.352 -1.538 19542 2325 1 9 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.595 18.641 19542 2326 1 9 . 1 1 55 55 CYS H H 55 7.995 7.995 7.997 -0.002 19542 2327 1 9 . 1 1 56 56 ASN N N 56 121.881 121.881 120.393 1.488 19542 2328 1 9 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.686 0.124 19542 2329 1 9 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.460 -0.094 19542 2330 1 9 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.502 1.335 19542 2331 1 9 . 1 1 56 56 ASN H H 56 8.755 8.755 8.650 0.105 19542 2332 1 10 . 1 1 2 2 LYS N N 2 126.352 126.352 120.901 5.451 19542 2333 1 10 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.265 0.125 19542 2334 1 10 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.798 -0.397 19542 2335 1 10 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.034 -3.300 19542 2336 1 10 . 1 1 2 2 LYS H H 2 8.381 8.381 8.328 0.053 19542 2337 1 10 . 1 1 3 3 CYS N N 3 117.974 117.974 120.823 -2.849 19542 2338 1 10 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.678 0.281 19542 2339 1 10 . 1 1 3 3 CYS CA C 3 51.272 51.272 57.517 -6.245 19542 2340 1 10 . 1 1 3 3 CYS CB C 3 42.039 42.039 31.681 10.358 19542 2341 1 10 . 1 1 3 3 CYS H H 3 8.394 8.394 8.782 -0.388 19542 2342 1 10 . 1 1 4 4 PHE N N 4 120.016 120.016 120.821 -0.805 19542 2343 1 10 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.991 -0.385 19542 2344 1 10 . 1 1 4 4 PHE CB C 4 39.719 39.719 36.919 2.800 19542 2345 1 10 . 1 1 4 4 PHE H H 4 9.550 9.550 9.376 0.174 19542 2346 1 10 . 1 1 5 5 GLN N N 5 120.517 120.517 123.470 -2.953 19542 2347 1 10 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.263 0.159 19542 2348 1 10 . 1 1 5 5 GLN CA C 5 56.003 56.003 58.278 -2.275 19542 2349 1 10 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.387 3.207 19542 2350 1 10 . 1 1 5 5 GLN H H 5 9.406 9.406 7.913 1.493 19542 2351 1 10 . 1 1 6 6 HIS N N 6 118.478 118.478 117.034 1.444 19542 2352 1 10 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.533 -0.055 19542 2353 1 10 . 1 1 6 6 HIS CA C 6 56.627 56.627 57.201 -0.574 19542 2354 1 10 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.200 -2.224 19542 2355 1 10 . 1 1 6 6 HIS H H 6 8.827 8.827 7.734 1.093 19542 2356 1 10 . 1 1 7 7 GLY N N 7 103.072 103.072 105.415 -2.343 19542 2357 1 10 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.212 0.712 19542 2358 1 10 . 1 1 7 7 GLY H H 7 8.440 8.440 8.583 -0.143 19542 2359 1 10 . 1 1 8 8 LYS N N 8 119.909 119.909 120.961 -1.052 19542 2360 1 10 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.802 0.026 19542 2361 1 10 . 1 1 8 8 LYS CB C 8 35.493 35.493 35.303 0.190 19542 2362 1 10 . 1 1 8 8 LYS H H 8 7.703 7.703 8.074 -0.371 19542 2363 1 10 . 1 1 9 9 VAL N N 9 122.232 122.232 123.818 -1.586 19542 2364 1 10 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.629 0.183 19542 2365 1 10 . 1 1 9 9 VAL CA C 9 63.286 63.286 63.017 0.268 19542 2366 1 10 . 1 1 9 9 VAL CB C 9 26.812 26.812 30.873 -4.061 19542 2367 1 10 . 1 1 9 9 VAL H H 9 8.552 8.552 8.517 0.035 19542 2368 1 10 . 1 1 10 10 VAL N N 10 123.963 123.963 124.663 -0.700 19542 2369 1 10 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.705 -0.099 19542 2370 1 10 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.239 1.153 19542 2371 1 10 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.452 -0.670 19542 2372 1 10 . 1 1 10 10 VAL H H 10 8.920 8.920 8.707 0.213 19542 2373 1 10 . 1 1 11 11 THR N N 11 118.572 118.572 119.239 -0.667 19542 2374 1 10 . 1 1 11 11 THR HA H 11 4.443 4.443 4.494 -0.051 19542 2375 1 10 . 1 1 11 11 THR CA C 11 62.719 62.719 62.952 -0.233 19542 2376 1 10 . 1 1 11 11 THR CB C 11 68.689 68.689 69.177 -0.488 19542 2377 1 10 . 1 1 11 11 THR H H 11 8.517 8.517 8.265 0.252 19542 2378 1 10 . 1 1 12 12 CYS N N 12 126.835 126.835 125.917 0.918 19542 2379 1 10 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.499 0.172 19542 2380 1 10 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.206 -5.170 19542 2381 1 10 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.719 11.173 19542 2382 1 10 . 1 1 12 12 CYS H H 12 8.970 8.970 8.813 0.157 19542 2383 1 10 . 1 1 13 13 HIS N N 13 121.091 121.091 121.486 -0.395 19542 2384 1 10 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.550 0.099 19542 2385 1 10 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.162 -1.664 19542 2386 1 10 . 1 1 13 13 HIS H H 13 9.015 9.015 8.604 0.411 19542 2387 1 10 . 1 1 14 14 ARG N N 14 120.872 120.872 122.431 -1.559 19542 2388 1 10 . 1 1 14 14 ARG HA H 14 4.043 4.043 4.031 0.012 19542 2389 1 10 . 1 1 14 14 ARG CA C 14 58.962 58.962 58.185 0.777 19542 2390 1 10 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.624 0.390 19542 2391 1 10 . 1 1 14 14 ARG H H 14 8.689 8.689 8.192 0.497 19542 2392 1 10 . 1 1 15 15 ASP N N 15 121.233 121.233 118.820 2.413 19542 2393 1 10 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.686 -0.183 19542 2394 1 10 . 1 1 15 15 ASP CA C 15 54.306 54.306 55.256 -0.950 19542 2395 1 10 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.464 -2.357 19542 2396 1 10 . 1 1 15 15 ASP H H 15 8.907 8.907 7.883 1.024 19542 2397 1 10 . 1 1 16 16 MET N N 16 119.073 119.073 119.646 -0.573 19542 2398 1 10 . 1 1 16 16 MET HA H 16 4.415 4.415 4.503 -0.088 19542 2399 1 10 . 1 1 16 16 MET CA C 16 55.995 55.995 55.389 0.606 19542 2400 1 10 . 1 1 16 16 MET CB C 16 32.662 32.662 32.538 0.124 19542 2401 1 10 . 1 1 16 16 MET H H 16 7.811 7.811 7.779 0.032 19542 2402 1 10 . 1 1 17 17 LYS N N 17 120.187 120.187 123.019 -2.832 19542 2403 1 10 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.308 -0.041 19542 2404 1 10 . 1 1 17 17 LYS CA C 17 55.889 55.889 56.223 -0.334 19542 2405 1 10 . 1 1 17 17 LYS CB C 17 34.106 34.106 35.141 -1.035 19542 2406 1 10 . 1 1 17 17 LYS H H 17 7.763 7.763 8.705 -0.942 19542 2407 1 10 . 1 1 18 18 PHE N N 18 115.631 115.631 117.301 -1.670 19542 2408 1 10 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.091 0.022 19542 2409 1 10 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.345 0.626 19542 2410 1 10 . 1 1 18 18 PHE CB C 18 43.018 43.018 42.826 0.192 19542 2411 1 10 . 1 1 18 18 PHE H H 18 8.252 8.252 8.424 -0.172 19542 2412 1 10 . 1 1 19 19 CYS N N 19 115.508 115.508 119.942 -4.434 19542 2413 1 10 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.287 0.715 19542 2414 1 10 . 1 1 19 19 CYS CA C 19 52.258 52.258 57.947 -5.689 19542 2415 1 10 . 1 1 19 19 CYS CB C 19 38.627 38.627 27.423 11.204 19542 2416 1 10 . 1 1 19 19 CYS H H 19 9.343 9.343 9.399 -0.056 19542 2417 1 10 . 1 1 20 20 TYR N N 20 128.934 128.934 118.111 10.823 19542 2418 1 10 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.902 0.305 19542 2419 1 10 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.890 0.811 19542 2420 1 10 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.504 1.680 19542 2421 1 10 . 1 1 20 20 TYR H H 20 8.871 8.871 9.139 -0.268 19542 2422 1 10 . 1 1 21 21 HIS N N 21 122.079 122.079 123.138 -1.059 19542 2423 1 10 . 1 1 21 21 HIS HA H 21 5.283 5.283 5.000 0.283 19542 2424 1 10 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.235 0.478 19542 2425 1 10 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.880 -0.161 19542 2426 1 10 . 1 1 21 21 HIS H H 21 8.797 8.797 9.189 -0.392 19542 2427 1 10 . 1 1 22 22 ASN N N 22 128.444 128.444 128.025 0.419 19542 2428 1 10 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.766 0.080 19542 2429 1 10 . 1 1 22 22 ASN CA C 22 52.512 52.512 53.090 -0.578 19542 2430 1 10 . 1 1 22 22 ASN CB C 22 40.821 40.821 41.155 -0.334 19542 2431 1 10 . 1 1 22 22 ASN H H 22 9.823 9.823 9.139 0.684 19542 2432 1 10 . 1 1 23 23 THR N N 23 116.691 116.691 118.516 -1.825 19542 2433 1 10 . 1 1 23 23 THR HA H 23 4.604 4.604 4.648 -0.044 19542 2434 1 10 . 1 1 23 23 THR CA C 23 57.003 57.003 60.094 -3.091 19542 2435 1 10 . 1 1 23 23 THR CB C 23 69.344 69.344 70.097 -0.753 19542 2436 1 10 . 1 1 23 23 THR H H 23 8.561 8.561 8.276 0.285 19542 2437 1 10 . 1 1 24 24 GLY N N 24 110.763 110.763 108.951 1.812 19542 2438 1 10 . 1 1 24 24 GLY CA C 24 44.993 44.993 45.841 -0.848 19542 2439 1 10 . 1 1 24 24 GLY H H 24 8.608 8.608 8.468 0.140 19542 2440 1 10 . 1 1 25 25 MET N N 25 120.520 120.520 120.954 -0.434 19542 2441 1 10 . 1 1 25 25 MET HA H 25 4.818 4.818 4.752 0.066 19542 2442 1 10 . 1 1 25 25 MET CA C 25 53.892 53.892 52.828 1.064 19542 2443 1 10 . 1 1 25 25 MET CB C 25 32.399 32.399 34.914 -2.515 19542 2444 1 10 . 1 1 25 25 MET H H 25 8.418 8.418 7.928 0.490 19542 2445 1 10 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.582 -0.205 19542 2446 1 10 . 1 1 26 26 PRO CA C 26 63.841 63.841 62.709 1.132 19542 2447 1 10 . 1 1 26 26 PRO CB C 26 31.750 31.750 32.294 -0.544 19542 2448 1 10 . 1 1 27 27 PHE N N 27 118.056 118.056 121.080 -3.024 19542 2449 1 10 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.764 -0.139 19542 2450 1 10 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.637 0.695 19542 2451 1 10 . 1 1 27 27 PHE CB C 27 39.701 39.701 41.920 -2.219 19542 2452 1 10 . 1 1 27 27 PHE H H 27 7.988 7.988 8.203 -0.215 19542 2453 1 10 . 1 1 28 28 ARG N N 28 121.294 121.294 124.810 -3.516 19542 2454 1 10 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.163 -0.104 19542 2455 1 10 . 1 1 28 28 ARG CA C 28 57.142 57.142 57.629 -0.487 19542 2456 1 10 . 1 1 28 28 ARG CB C 28 29.711 29.711 29.725 -0.014 19542 2457 1 10 . 1 1 28 28 ARG H H 28 8.333 8.333 9.007 -0.674 19542 2458 1 10 . 1 1 29 29 ASN N N 29 116.243 116.243 116.695 -0.452 19542 2459 1 10 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.366 0.230 19542 2460 1 10 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.200 -0.405 19542 2461 1 10 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.624 0.615 19542 2462 1 10 . 1 1 29 29 ASN H H 29 8.356 8.356 8.939 -0.583 19542 2463 1 10 . 1 1 30 30 LEU N N 30 121.660 121.660 121.223 0.437 19542 2464 1 10 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.603 -0.158 19542 2465 1 10 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.418 0.785 19542 2466 1 10 . 1 1 30 30 LEU CB C 30 42.982 42.982 43.197 -0.215 19542 2467 1 10 . 1 1 30 30 LEU H H 30 8.028 8.028 7.616 0.412 19542 2468 1 10 . 1 1 31 31 LYS N N 31 120.928 120.928 127.748 -6.820 19542 2469 1 10 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.372 0.006 19542 2470 1 10 . 1 1 31 31 LYS CA C 31 56.271 56.271 55.356 0.915 19542 2471 1 10 . 1 1 31 31 LYS CB C 31 32.230 32.230 31.363 0.867 19542 2472 1 10 . 1 1 31 31 LYS H H 31 8.306 8.306 8.610 -0.304 19542 2473 1 10 . 1 1 32 32 LEU N N 32 122.843 122.843 127.091 -4.248 19542 2474 1 10 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.499 -0.053 19542 2475 1 10 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.910 -0.426 19542 2476 1 10 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.593 0.811 19542 2477 1 10 . 1 1 32 32 LEU H H 32 8.027 8.027 8.177 -0.150 19542 2478 1 10 . 1 1 33 33 ILE N N 33 123.311 123.311 127.644 -4.333 19542 2479 1 10 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.457 -0.074 19542 2480 1 10 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.446 1.149 19542 2481 1 10 . 1 1 33 33 ILE CB C 33 38.303 38.303 37.712 0.591 19542 2482 1 10 . 1 1 33 33 ILE H H 33 8.327 8.327 8.292 0.035 19542 2483 1 10 . 1 1 34 34 LEU N N 34 128.669 128.669 129.539 -0.870 19542 2484 1 10 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.744 0.050 19542 2485 1 10 . 1 1 34 34 LEU CB C 34 42.873 42.873 41.149 1.724 19542 2486 1 10 . 1 1 34 34 LEU H H 34 8.880 8.880 8.582 0.298 19542 2487 1 10 . 1 1 35 35 GLN N N 35 121.600 121.600 119.892 1.708 19542 2488 1 10 . 1 1 35 35 GLN HA H 35 4.588 4.588 5.118 -0.530 19542 2489 1 10 . 1 1 35 35 GLN CA C 35 61.390 61.390 54.935 6.455 19542 2490 1 10 . 1 1 35 35 GLN CB C 35 33.866 33.866 31.198 2.668 19542 2491 1 10 . 1 1 35 35 GLN H H 35 8.210 8.210 7.591 0.619 19542 2492 1 10 . 1 1 36 36 GLY N N 36 106.726 106.726 109.781 -3.055 19542 2493 1 10 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.386 2.492 19542 2494 1 10 . 1 1 36 36 GLY H H 36 6.121 6.121 7.608 -1.487 19542 2495 1 10 . 1 1 37 37 CYS N N 37 124.584 124.584 118.218 6.366 19542 2496 1 10 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.436 0.438 19542 2497 1 10 . 1 1 37 37 CYS CA C 37 55.955 55.955 57.624 -1.669 19542 2498 1 10 . 1 1 37 37 CYS CB C 37 48.202 48.202 29.735 18.467 19542 2499 1 10 . 1 1 37 37 CYS H H 37 8.505 8.505 8.549 -0.044 19542 2500 1 10 . 1 1 38 38 SER N N 38 115.036 115.036 117.623 -2.587 19542 2501 1 10 . 1 1 38 38 SER HA H 38 4.980 4.980 5.120 -0.140 19542 2502 1 10 . 1 1 38 38 SER CA C 38 58.792 58.792 56.319 2.473 19542 2503 1 10 . 1 1 38 38 SER CB C 38 65.971 65.971 64.855 1.116 19542 2504 1 10 . 1 1 38 38 SER H H 38 9.749 9.749 9.428 0.321 19542 2505 1 10 . 1 1 39 39 SER N N 39 117.276 117.276 120.319 -3.043 19542 2506 1 10 . 1 1 39 39 SER HA H 39 4.827 4.827 4.921 -0.094 19542 2507 1 10 . 1 1 39 39 SER CA C 39 60.040 60.040 60.305 -0.265 19542 2508 1 10 . 1 1 39 39 SER CB C 39 63.784 63.784 63.663 0.121 19542 2509 1 10 . 1 1 39 39 SER H H 39 9.161 9.161 8.788 0.373 19542 2510 1 10 . 1 1 40 40 SER N N 40 115.041 115.041 115.616 -0.575 19542 2511 1 10 . 1 1 40 40 SER HA H 40 4.660 4.660 4.800 -0.140 19542 2512 1 10 . 1 1 40 40 SER CA C 40 55.868 55.868 57.608 -1.740 19542 2513 1 10 . 1 1 40 40 SER CB C 40 64.868 64.868 65.452 -0.584 19542 2514 1 10 . 1 1 40 40 SER H H 40 7.911 7.911 7.670 0.241 19542 2515 1 10 . 1 1 41 41 CYS N N 41 124.146 124.146 120.677 3.469 19542 2516 1 10 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.490 -0.181 19542 2517 1 10 . 1 1 41 41 CYS CA C 41 57.567 57.567 57.098 0.469 19542 2518 1 10 . 1 1 41 41 CYS CB C 41 40.000 40.000 28.490 11.510 19542 2519 1 10 . 1 1 41 41 CYS H H 41 8.067 8.067 8.390 -0.323 19542 2520 1 10 . 1 1 42 42 SER N N 42 118.590 118.590 118.955 -0.365 19542 2521 1 10 . 1 1 42 42 SER HA H 42 4.611 4.611 4.509 0.102 19542 2522 1 10 . 1 1 42 42 SER CA C 42 59.020 59.020 57.214 1.806 19542 2523 1 10 . 1 1 42 42 SER CB C 42 64.112 64.112 64.279 -0.167 19542 2524 1 10 . 1 1 42 42 SER H H 42 8.491 8.491 8.452 0.039 19542 2525 1 10 . 1 1 43 43 GLU N N 43 118.830 118.830 121.321 -2.491 19542 2526 1 10 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.407 0.242 19542 2527 1 10 . 1 1 43 43 GLU CA C 43 56.856 56.856 56.438 0.418 19542 2528 1 10 . 1 1 43 43 GLU CB C 43 29.206 29.206 29.671 -0.465 19542 2529 1 10 . 1 1 43 43 GLU H H 43 8.861 8.861 8.642 0.219 19542 2530 1 10 . 1 1 44 44 THR N N 44 117.954 117.954 116.062 1.892 19542 2531 1 10 . 1 1 44 44 THR HA H 44 4.619 4.619 4.374 0.245 19542 2532 1 10 . 1 1 44 44 THR CB C 44 72.341 72.341 69.650 2.692 19542 2533 1 10 . 1 1 44 44 THR H H 44 9.030 9.030 7.377 1.653 19542 2534 1 10 . 1 1 45 45 GLU N N 45 127.100 127.100 127.709 -0.609 19542 2535 1 10 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.222 -0.128 19542 2536 1 10 . 1 1 45 45 GLU CA C 45 58.934 58.934 57.636 1.298 19542 2537 1 10 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.470 -2.461 19542 2538 1 10 . 1 1 45 45 GLU H H 45 8.837 8.837 8.833 0.004 19542 2539 1 10 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.569 0.333 19542 2540 1 10 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.218 -0.974 19542 2541 1 10 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.592 0.461 19542 2542 1 10 . 1 1 46 46 ASN H H 46 8.018 8.018 7.872 0.146 19542 2543 1 10 . 1 1 47 47 ASN N N 47 120.765 120.765 118.326 2.439 19542 2544 1 10 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.087 0.275 19542 2545 1 10 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.568 1.411 19542 2546 1 10 . 1 1 47 47 ASN CB C 47 41.749 41.749 40.287 1.462 19542 2547 1 10 . 1 1 47 47 ASN H H 47 7.835 7.835 7.366 0.469 19542 2548 1 10 . 1 1 48 48 LYS N N 48 123.576 123.576 127.288 -3.712 19542 2549 1 10 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.545 0.297 19542 2550 1 10 . 1 1 48 48 LYS CB C 48 34.398 34.398 33.567 0.831 19542 2551 1 10 . 1 1 48 48 LYS H H 48 8.548 8.548 8.850 -0.302 19542 2552 1 10 . 1 1 49 49 CYS N N 49 116.141 116.141 122.296 -6.155 19542 2553 1 10 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.693 -0.140 19542 2554 1 10 . 1 1 49 49 CYS CA C 49 53.386 53.386 57.446 -4.060 19542 2555 1 10 . 1 1 49 49 CYS CB C 49 44.935 44.935 28.006 16.929 19542 2556 1 10 . 1 1 49 49 CYS H H 49 8.873 8.873 8.687 0.186 19542 2557 1 10 . 1 1 50 50 CYS N N 50 118.484 118.484 122.324 -3.840 19542 2558 1 10 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.982 0.283 19542 2559 1 10 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.074 -1.091 19542 2560 1 10 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.781 15.330 19542 2561 1 10 . 1 1 50 50 CYS H H 50 9.389 9.389 9.483 -0.094 19542 2562 1 10 . 1 1 51 51 SER N N 51 115.213 115.213 117.253 -2.040 19542 2563 1 10 . 1 1 51 51 SER HA H 51 5.016 5.016 4.910 0.106 19542 2564 1 10 . 1 1 51 51 SER CA C 51 58.118 58.118 57.390 0.728 19542 2565 1 10 . 1 1 51 51 SER CB C 51 64.457 64.457 62.685 1.772 19542 2566 1 10 . 1 1 51 51 SER H H 51 9.290 9.290 8.741 0.549 19542 2567 1 10 . 1 1 52 52 THR N N 52 112.156 112.156 117.598 -5.442 19542 2568 1 10 . 1 1 52 52 THR HA H 52 4.692 4.692 4.578 0.114 19542 2569 1 10 . 1 1 52 52 THR CA C 52 59.835 59.835 61.409 -1.574 19542 2570 1 10 . 1 1 52 52 THR CB C 52 71.872 71.872 71.879 -0.007 19542 2571 1 10 . 1 1 52 52 THR H H 52 7.624 7.624 7.573 0.051 19542 2572 1 10 . 1 1 53 53 ASP N N 53 119.869 119.869 121.072 -1.203 19542 2573 1 10 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.475 0.495 19542 2574 1 10 . 1 1 53 53 ASP CA C 53 55.485 55.485 54.842 0.643 19542 2575 1 10 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.961 -0.239 19542 2576 1 10 . 1 1 53 53 ASP H H 53 8.410 8.410 8.467 -0.057 19542 2577 1 10 . 1 1 54 54 ARG N N 54 111.677 111.677 117.874 -6.197 19542 2578 1 10 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.715 -0.530 19542 2579 1 10 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.555 0.407 19542 2580 1 10 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.473 0.956 19542 2581 1 10 . 1 1 54 54 ARG H H 54 9.306 9.306 8.698 0.608 19542 2582 1 10 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.442 0.119 19542 2583 1 10 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.330 -1.516 19542 2584 1 10 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.648 18.588 19542 2585 1 10 . 1 1 55 55 CYS H H 55 7.995 7.995 7.817 0.178 19542 2586 1 10 . 1 1 56 56 ASN N N 56 121.881 121.881 119.899 1.982 19542 2587 1 10 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.695 0.115 19542 2588 1 10 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.668 -0.302 19542 2589 1 10 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.462 1.375 19542 2590 1 10 . 1 1 56 56 ASN H H 56 8.755 8.755 8.768 -0.013 19542 2591 1 11 . 1 1 2 2 LYS N N 2 126.352 126.352 121.160 5.192 19542 2592 1 11 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.369 0.021 19542 2593 1 11 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.490 -0.088 19542 2594 1 11 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.069 -3.335 19542 2595 1 11 . 1 1 2 2 LYS H H 2 8.381 8.381 9.378 -0.997 19542 2596 1 11 . 1 1 3 3 CYS N N 3 117.974 117.974 120.787 -2.813 19542 2597 1 11 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.610 0.349 19542 2598 1 11 . 1 1 3 3 CYS CA C 3 51.272 51.272 57.519 -6.247 19542 2599 1 11 . 1 1 3 3 CYS CB C 3 42.039 42.039 31.565 10.474 19542 2600 1 11 . 1 1 3 3 CYS H H 3 8.394 8.394 8.670 -0.276 19542 2601 1 11 . 1 1 4 4 PHE N N 4 120.016 120.016 120.722 -0.706 19542 2602 1 11 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.936 -0.330 19542 2603 1 11 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.300 2.419 19542 2604 1 11 . 1 1 4 4 PHE H H 4 9.550 9.550 9.162 0.388 19542 2605 1 11 . 1 1 5 5 GLN N N 5 120.517 120.517 123.425 -2.908 19542 2606 1 11 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.217 0.205 19542 2607 1 11 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.635 -1.632 19542 2608 1 11 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.696 2.898 19542 2609 1 11 . 1 1 5 5 GLN H H 5 9.406 9.406 7.866 1.540 19542 2610 1 11 . 1 1 6 6 HIS N N 6 118.478 118.478 115.963 2.515 19542 2611 1 11 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.698 -0.220 19542 2612 1 11 . 1 1 6 6 HIS CA C 6 56.627 56.627 55.826 0.801 19542 2613 1 11 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.355 -2.379 19542 2614 1 11 . 1 1 6 6 HIS H H 6 8.827 8.827 7.439 1.388 19542 2615 1 11 . 1 1 7 7 GLY N N 7 103.072 103.072 104.620 -1.548 19542 2616 1 11 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.407 0.517 19542 2617 1 11 . 1 1 7 7 GLY H H 7 8.440 8.440 8.532 -0.092 19542 2618 1 11 . 1 1 8 8 LYS N N 8 119.909 119.909 120.403 -0.494 19542 2619 1 11 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.863 -0.035 19542 2620 1 11 . 1 1 8 8 LYS CB C 8 35.493 35.493 35.179 0.314 19542 2621 1 11 . 1 1 8 8 LYS H H 8 7.703 7.703 7.863 -0.160 19542 2622 1 11 . 1 1 9 9 VAL N N 9 122.232 122.232 121.567 0.665 19542 2623 1 11 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.919 -0.107 19542 2624 1 11 . 1 1 9 9 VAL CA C 9 63.286 63.286 62.109 1.177 19542 2625 1 11 . 1 1 9 9 VAL CB C 9 26.812 26.812 30.373 -3.561 19542 2626 1 11 . 1 1 9 9 VAL H H 9 8.552 8.552 8.421 0.131 19542 2627 1 11 . 1 1 10 10 VAL N N 10 123.963 123.963 125.882 -1.919 19542 2628 1 11 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.688 -0.082 19542 2629 1 11 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.421 0.971 19542 2630 1 11 . 1 1 10 10 VAL CB C 10 34.782 34.782 34.823 -0.041 19542 2631 1 11 . 1 1 10 10 VAL H H 10 8.920 8.920 8.633 0.287 19542 2632 1 11 . 1 1 11 11 THR N N 11 118.572 118.572 120.138 -1.566 19542 2633 1 11 . 1 1 11 11 THR HA H 11 4.443 4.443 4.387 0.056 19542 2634 1 11 . 1 1 11 11 THR CA C 11 62.719 62.719 62.883 -0.164 19542 2635 1 11 . 1 1 11 11 THR CB C 11 68.689 68.689 68.689 -0.000 19542 2636 1 11 . 1 1 11 11 THR H H 11 8.517 8.517 8.119 0.398 19542 2637 1 11 . 1 1 12 12 CYS N N 12 126.835 126.835 126.421 0.414 19542 2638 1 11 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.512 0.159 19542 2639 1 11 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.256 -5.220 19542 2640 1 11 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.798 11.094 19542 2641 1 11 . 1 1 12 12 CYS H H 12 8.970 8.970 8.660 0.310 19542 2642 1 11 . 1 1 13 13 HIS N N 13 121.091 121.091 122.941 -1.850 19542 2643 1 11 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.532 0.117 19542 2644 1 11 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.203 -1.705 19542 2645 1 11 . 1 1 13 13 HIS H H 13 9.015 9.015 8.579 0.436 19542 2646 1 11 . 1 1 14 14 ARG N N 14 120.872 120.872 119.514 1.358 19542 2647 1 11 . 1 1 14 14 ARG HA H 14 4.043 4.043 3.895 0.148 19542 2648 1 11 . 1 1 14 14 ARG CA C 14 58.962 58.962 58.491 0.471 19542 2649 1 11 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.918 0.096 19542 2650 1 11 . 1 1 14 14 ARG H H 14 8.689 8.689 7.638 1.051 19542 2651 1 11 . 1 1 15 15 ASP N N 15 121.233 121.233 119.033 2.200 19542 2652 1 11 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.536 -0.033 19542 2653 1 11 . 1 1 15 15 ASP CA C 15 54.306 54.306 56.371 -2.065 19542 2654 1 11 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.233 -2.126 19542 2655 1 11 . 1 1 15 15 ASP H H 15 8.907 8.907 7.720 1.187 19542 2656 1 11 . 1 1 16 16 MET N N 16 119.073 119.073 118.108 0.965 19542 2657 1 11 . 1 1 16 16 MET HA H 16 4.415 4.415 4.589 -0.174 19542 2658 1 11 . 1 1 16 16 MET CA C 16 55.995 55.995 54.802 1.193 19542 2659 1 11 . 1 1 16 16 MET CB C 16 32.662 32.662 32.105 0.557 19542 2660 1 11 . 1 1 16 16 MET H H 16 7.811 7.811 7.625 0.186 19542 2661 1 11 . 1 1 17 17 LYS N N 17 120.187 120.187 122.638 -2.451 19542 2662 1 11 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.129 0.138 19542 2663 1 11 . 1 1 17 17 LYS CA C 17 55.889 55.889 56.660 -0.771 19542 2664 1 11 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.472 0.634 19542 2665 1 11 . 1 1 17 17 LYS H H 17 7.763 7.763 8.592 -0.829 19542 2666 1 11 . 1 1 18 18 PHE N N 18 115.631 115.631 117.220 -1.589 19542 2667 1 11 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.165 -0.052 19542 2668 1 11 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.199 0.772 19542 2669 1 11 . 1 1 18 18 PHE CB C 18 43.018 43.018 42.700 0.318 19542 2670 1 11 . 1 1 18 18 PHE H H 18 8.252 8.252 8.106 0.146 19542 2671 1 11 . 1 1 19 19 CYS N N 19 115.508 115.508 120.408 -4.900 19542 2672 1 11 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.035 0.967 19542 2673 1 11 . 1 1 19 19 CYS CA C 19 52.258 52.258 58.389 -6.131 19542 2674 1 11 . 1 1 19 19 CYS CB C 19 38.627 38.627 27.276 11.351 19542 2675 1 11 . 1 1 19 19 CYS H H 19 9.343 9.343 9.381 -0.038 19542 2676 1 11 . 1 1 20 20 TYR N N 20 128.934 128.934 118.484 10.450 19542 2677 1 11 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.835 0.372 19542 2678 1 11 . 1 1 20 20 TYR CA C 20 55.701 55.701 55.128 0.573 19542 2679 1 11 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.264 1.921 19542 2680 1 11 . 1 1 20 20 TYR H H 20 8.871 8.871 9.211 -0.340 19542 2681 1 11 . 1 1 21 21 HIS N N 21 122.079 122.079 123.918 -1.839 19542 2682 1 11 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.852 0.431 19542 2683 1 11 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.421 0.292 19542 2684 1 11 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.277 0.442 19542 2685 1 11 . 1 1 21 21 HIS H H 21 8.797 8.797 9.288 -0.491 19542 2686 1 11 . 1 1 22 22 ASN N N 22 128.444 128.444 126.099 2.345 19542 2687 1 11 . 1 1 22 22 ASN HA H 22 5.846 5.846 4.968 0.878 19542 2688 1 11 . 1 1 22 22 ASN CA C 22 52.512 52.512 52.518 -0.006 19542 2689 1 11 . 1 1 22 22 ASN CB C 22 40.821 40.821 41.710 -0.889 19542 2690 1 11 . 1 1 22 22 ASN H H 22 9.823 9.823 8.943 0.880 19542 2691 1 11 . 1 1 23 23 THR N N 23 116.691 116.691 116.422 0.269 19542 2692 1 11 . 1 1 23 23 THR HA H 23 4.604 4.604 4.648 -0.044 19542 2693 1 11 . 1 1 23 23 THR CA C 23 57.003 57.003 60.598 -3.595 19542 2694 1 11 . 1 1 23 23 THR CB C 23 69.344 69.344 70.341 -0.997 19542 2695 1 11 . 1 1 23 23 THR H H 23 8.561 8.561 8.246 0.315 19542 2696 1 11 . 1 1 24 24 GLY N N 24 110.763 110.763 108.342 2.421 19542 2697 1 11 . 1 1 24 24 GLY CA C 24 44.993 44.993 44.843 0.150 19542 2698 1 11 . 1 1 24 24 GLY H H 24 8.608 8.608 8.276 0.332 19542 2699 1 11 . 1 1 25 25 MET N N 25 120.520 120.520 121.113 -0.593 19542 2700 1 11 . 1 1 25 25 MET HA H 25 4.818 4.818 4.505 0.313 19542 2701 1 11 . 1 1 25 25 MET CA C 25 53.892 53.892 52.662 1.230 19542 2702 1 11 . 1 1 25 25 MET CB C 25 32.399 32.399 32.986 -0.587 19542 2703 1 11 . 1 1 25 25 MET H H 25 8.418 8.418 7.941 0.477 19542 2704 1 11 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.277 0.100 19542 2705 1 11 . 1 1 26 26 PRO CA C 26 63.841 63.841 62.799 1.042 19542 2706 1 11 . 1 1 26 26 PRO CB C 26 31.750 31.750 30.957 0.793 19542 2707 1 11 . 1 1 27 27 PHE N N 27 118.056 118.056 123.375 -5.319 19542 2708 1 11 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.702 -0.077 19542 2709 1 11 . 1 1 27 27 PHE CA C 27 57.332 57.332 55.953 1.379 19542 2710 1 11 . 1 1 27 27 PHE CB C 27 39.701 39.701 41.034 -1.333 19542 2711 1 11 . 1 1 27 27 PHE H H 27 7.988 7.988 7.723 0.265 19542 2712 1 11 . 1 1 28 28 ARG N N 28 121.294 121.294 124.769 -3.475 19542 2713 1 11 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.166 -0.107 19542 2714 1 11 . 1 1 28 28 ARG CA C 28 57.142 57.142 57.918 -0.776 19542 2715 1 11 . 1 1 28 28 ARG CB C 28 29.711 29.711 30.191 -0.480 19542 2716 1 11 . 1 1 28 28 ARG H H 28 8.333 8.333 9.043 -0.710 19542 2717 1 11 . 1 1 29 29 ASN N N 29 116.243 116.243 115.376 0.867 19542 2718 1 11 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.431 0.165 19542 2719 1 11 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.547 -0.752 19542 2720 1 11 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.802 0.437 19542 2721 1 11 . 1 1 29 29 ASN H H 29 8.356 8.356 8.844 -0.488 19542 2722 1 11 . 1 1 30 30 LEU N N 30 121.660 121.660 121.467 0.193 19542 2723 1 11 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.608 -0.163 19542 2724 1 11 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.390 0.813 19542 2725 1 11 . 1 1 30 30 LEU CB C 30 42.982 42.982 42.432 0.550 19542 2726 1 11 . 1 1 30 30 LEU H H 30 8.028 8.028 7.698 0.330 19542 2727 1 11 . 1 1 31 31 LYS N N 31 120.928 120.928 127.073 -6.145 19542 2728 1 11 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.448 -0.070 19542 2729 1 11 . 1 1 31 31 LYS CA C 31 56.271 56.271 54.781 1.490 19542 2730 1 11 . 1 1 31 31 LYS CB C 31 32.230 32.230 30.857 1.373 19542 2731 1 11 . 1 1 31 31 LYS H H 31 8.306 8.306 8.616 -0.310 19542 2732 1 11 . 1 1 32 32 LEU N N 32 122.843 122.843 122.601 0.242 19542 2733 1 11 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.729 -0.283 19542 2734 1 11 . 1 1 32 32 LEU CA C 32 54.484 54.484 55.000 -0.516 19542 2735 1 11 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.470 0.934 19542 2736 1 11 . 1 1 32 32 LEU H H 32 8.027 8.027 7.974 0.053 19542 2737 1 11 . 1 1 33 33 ILE N N 33 123.311 123.311 125.632 -2.321 19542 2738 1 11 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.560 -0.177 19542 2739 1 11 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.493 1.102 19542 2740 1 11 . 1 1 33 33 ILE CB C 33 38.303 38.303 39.137 -0.834 19542 2741 1 11 . 1 1 33 33 ILE H H 33 8.327 8.327 8.514 -0.187 19542 2742 1 11 . 1 1 34 34 LEU N N 34 128.669 128.669 128.876 -0.207 19542 2743 1 11 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.805 -0.011 19542 2744 1 11 . 1 1 34 34 LEU CB C 34 42.873 42.873 41.949 0.924 19542 2745 1 11 . 1 1 34 34 LEU H H 34 8.880 8.880 9.148 -0.268 19542 2746 1 11 . 1 1 35 35 GLN N N 35 121.600 121.600 121.110 0.490 19542 2747 1 11 . 1 1 35 35 GLN HA H 35 4.588 4.588 4.996 -0.408 19542 2748 1 11 . 1 1 35 35 GLN CA C 35 61.390 61.390 55.060 6.330 19542 2749 1 11 . 1 1 35 35 GLN CB C 35 33.866 33.866 29.821 4.045 19542 2750 1 11 . 1 1 35 35 GLN H H 35 8.210 8.210 8.487 -0.277 19542 2751 1 11 . 1 1 36 36 GLY N N 36 106.726 106.726 110.211 -3.485 19542 2752 1 11 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.381 2.497 19542 2753 1 11 . 1 1 36 36 GLY H H 36 6.121 6.121 7.493 -1.372 19542 2754 1 11 . 1 1 37 37 CYS N N 37 124.584 124.584 118.495 6.089 19542 2755 1 11 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.333 0.541 19542 2756 1 11 . 1 1 37 37 CYS CA C 37 55.955 55.955 58.220 -2.265 19542 2757 1 11 . 1 1 37 37 CYS CB C 37 48.202 48.202 29.840 18.362 19542 2758 1 11 . 1 1 37 37 CYS H H 37 8.505 8.505 8.590 -0.085 19542 2759 1 11 . 1 1 38 38 SER N N 38 115.036 115.036 119.058 -4.022 19542 2760 1 11 . 1 1 38 38 SER HA H 38 4.980 4.980 4.960 0.020 19542 2761 1 11 . 1 1 38 38 SER CA C 38 58.792 58.792 56.716 2.076 19542 2762 1 11 . 1 1 38 38 SER CB C 38 65.971 65.971 65.321 0.650 19542 2763 1 11 . 1 1 38 38 SER H H 38 9.749 9.749 9.339 0.410 19542 2764 1 11 . 1 1 39 39 SER N N 39 117.276 117.276 121.294 -4.018 19542 2765 1 11 . 1 1 39 39 SER HA H 39 4.827 4.827 5.045 -0.218 19542 2766 1 11 . 1 1 39 39 SER CA C 39 60.040 60.040 59.991 0.049 19542 2767 1 11 . 1 1 39 39 SER CB C 39 63.784 63.784 64.322 -0.538 19542 2768 1 11 . 1 1 39 39 SER H H 39 9.161 9.161 8.998 0.163 19542 2769 1 11 . 1 1 40 40 SER N N 40 115.041 115.041 115.529 -0.488 19542 2770 1 11 . 1 1 40 40 SER HA H 40 4.660 4.660 4.783 -0.123 19542 2771 1 11 . 1 1 40 40 SER CA C 40 55.868 55.868 57.291 -1.423 19542 2772 1 11 . 1 1 40 40 SER CB C 40 64.868 64.868 64.942 -0.074 19542 2773 1 11 . 1 1 40 40 SER H H 40 7.911 7.911 7.652 0.259 19542 2774 1 11 . 1 1 41 41 CYS N N 41 124.146 124.146 124.391 -0.245 19542 2775 1 11 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.262 0.047 19542 2776 1 11 . 1 1 41 41 CYS CA C 41 57.567 57.567 58.294 -0.727 19542 2777 1 11 . 1 1 41 41 CYS CB C 41 40.000 40.000 28.041 11.959 19542 2778 1 11 . 1 1 41 41 CYS H H 41 8.067 8.067 8.149 -0.082 19542 2779 1 11 . 1 1 42 42 SER N N 42 118.590 118.590 120.206 -1.616 19542 2780 1 11 . 1 1 42 42 SER HA H 42 4.611 4.611 4.496 0.115 19542 2781 1 11 . 1 1 42 42 SER CA C 42 59.020 59.020 57.226 1.794 19542 2782 1 11 . 1 1 42 42 SER CB C 42 64.112 64.112 63.632 0.480 19542 2783 1 11 . 1 1 42 42 SER H H 42 8.491 8.491 8.668 -0.177 19542 2784 1 11 . 1 1 43 43 GLU N N 43 118.830 118.830 127.346 -8.516 19542 2785 1 11 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.100 0.549 19542 2786 1 11 . 1 1 43 43 GLU CA C 43 56.856 56.856 56.833 0.023 19542 2787 1 11 . 1 1 43 43 GLU CB C 43 29.206 29.206 28.469 0.737 19542 2788 1 11 . 1 1 43 43 GLU H H 43 8.861 8.861 8.735 0.126 19542 2789 1 11 . 1 1 44 44 THR N N 44 117.954 117.954 118.948 -0.994 19542 2790 1 11 . 1 1 44 44 THR HA H 44 4.619 4.619 4.482 0.137 19542 2791 1 11 . 1 1 44 44 THR CB C 44 72.341 72.341 70.458 1.883 19542 2792 1 11 . 1 1 44 44 THR H H 44 9.030 9.030 7.879 1.151 19542 2793 1 11 . 1 1 45 45 GLU N N 45 127.100 127.100 119.319 7.781 19542 2794 1 11 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.341 -0.247 19542 2795 1 11 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.061 0.873 19542 2796 1 11 . 1 1 45 45 GLU CB C 45 27.009 27.009 30.011 -3.002 19542 2797 1 11 . 1 1 45 45 GLU H H 45 8.837 8.837 8.657 0.180 19542 2798 1 11 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.585 0.317 19542 2799 1 11 . 1 1 46 46 ASN CA C 46 53.244 53.244 53.362 -0.118 19542 2800 1 11 . 1 1 46 46 ASN CB C 46 40.053 40.053 38.869 1.184 19542 2801 1 11 . 1 1 46 46 ASN H H 46 8.018 8.018 8.145 -0.127 19542 2802 1 11 . 1 1 47 47 ASN N N 47 120.765 120.765 118.221 2.544 19542 2803 1 11 . 1 1 47 47 ASN HA H 47 5.362 5.362 4.750 0.612 19542 2804 1 11 . 1 1 47 47 ASN CA C 47 53.979 53.979 53.392 0.587 19542 2805 1 11 . 1 1 47 47 ASN CB C 47 41.749 41.749 38.591 3.158 19542 2806 1 11 . 1 1 47 47 ASN H H 47 7.835 7.835 7.900 -0.065 19542 2807 1 11 . 1 1 48 48 LYS N N 48 123.576 123.576 127.890 -4.314 19542 2808 1 11 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.523 0.319 19542 2809 1 11 . 1 1 48 48 LYS CB C 48 34.398 34.398 33.502 0.896 19542 2810 1 11 . 1 1 48 48 LYS H H 48 8.548 8.548 8.486 0.062 19542 2811 1 11 . 1 1 49 49 CYS N N 49 116.141 116.141 123.162 -7.021 19542 2812 1 11 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.838 -0.285 19542 2813 1 11 . 1 1 49 49 CYS CA C 49 53.386 53.386 57.648 -4.262 19542 2814 1 11 . 1 1 49 49 CYS CB C 49 44.935 44.935 28.284 16.651 19542 2815 1 11 . 1 1 49 49 CYS H H 49 8.873 8.873 8.715 0.158 19542 2816 1 11 . 1 1 50 50 CYS N N 50 118.484 118.484 122.617 -4.133 19542 2817 1 11 . 1 1 50 50 CYS HA H 50 5.265 5.265 5.260 0.005 19542 2818 1 11 . 1 1 50 50 CYS CA C 50 55.983 55.983 56.893 -0.910 19542 2819 1 11 . 1 1 50 50 CYS CB C 50 46.111 46.111 31.100 15.011 19542 2820 1 11 . 1 1 50 50 CYS H H 50 9.389 9.389 9.485 -0.096 19542 2821 1 11 . 1 1 51 51 SER N N 51 115.213 115.213 117.156 -1.943 19542 2822 1 11 . 1 1 51 51 SER HA H 51 5.016 5.016 4.875 0.141 19542 2823 1 11 . 1 1 51 51 SER CA C 51 58.118 58.118 58.134 -0.016 19542 2824 1 11 . 1 1 51 51 SER CB C 51 64.457 64.457 62.570 1.887 19542 2825 1 11 . 1 1 51 51 SER H H 51 9.290 9.290 8.602 0.688 19542 2826 1 11 . 1 1 52 52 THR N N 52 112.156 112.156 114.419 -2.263 19542 2827 1 11 . 1 1 52 52 THR HA H 52 4.692 4.692 4.540 0.152 19542 2828 1 11 . 1 1 52 52 THR CA C 52 59.835 59.835 60.398 -0.563 19542 2829 1 11 . 1 1 52 52 THR CB C 52 71.872 71.872 71.738 0.134 19542 2830 1 11 . 1 1 52 52 THR H H 52 7.624 7.624 7.339 0.285 19542 2831 1 11 . 1 1 53 53 ASP N N 53 119.869 119.869 123.496 -3.627 19542 2832 1 11 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.386 0.584 19542 2833 1 11 . 1 1 53 53 ASP CA C 53 55.485 55.485 56.172 -0.687 19542 2834 1 11 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.462 0.260 19542 2835 1 11 . 1 1 53 53 ASP H H 53 8.410 8.410 8.639 -0.229 19542 2836 1 11 . 1 1 54 54 ARG N N 54 111.677 111.677 116.332 -4.655 19542 2837 1 11 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.544 -0.359 19542 2838 1 11 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.781 0.181 19542 2839 1 11 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.243 1.186 19542 2840 1 11 . 1 1 54 54 ARG H H 54 9.306 9.306 8.666 0.640 19542 2841 1 11 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.425 0.136 19542 2842 1 11 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.329 -1.515 19542 2843 1 11 . 1 1 55 55 CYS CB C 55 46.236 46.236 26.686 19.550 19542 2844 1 11 . 1 1 55 55 CYS H H 55 7.995 7.995 7.910 0.085 19542 2845 1 11 . 1 1 56 56 ASN N N 56 121.881 121.881 117.965 3.916 19542 2846 1 11 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.650 0.160 19542 2847 1 11 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.632 -0.266 19542 2848 1 11 . 1 1 56 56 ASN CB C 56 37.837 37.837 37.239 0.598 19542 2849 1 11 . 1 1 56 56 ASN H H 56 8.755 8.755 8.478 0.277 19542 2850 1 12 . 1 1 2 2 LYS N N 2 126.352 126.352 121.916 4.436 19542 2851 1 12 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.495 -0.105 19542 2852 1 12 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.567 -0.165 19542 2853 1 12 . 1 1 2 2 LYS CB C 2 29.734 29.734 32.996 -3.262 19542 2854 1 12 . 1 1 2 2 LYS H H 2 8.381 8.381 8.312 0.069 19542 2855 1 12 . 1 1 3 3 CYS N N 3 117.974 117.974 120.748 -2.774 19542 2856 1 12 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.563 0.396 19542 2857 1 12 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.232 -6.960 19542 2858 1 12 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.323 9.716 19542 2859 1 12 . 1 1 3 3 CYS H H 3 8.394 8.394 8.840 -0.446 19542 2860 1 12 . 1 1 4 4 PHE N N 4 120.016 120.016 121.036 -1.020 19542 2861 1 12 . 1 1 4 4 PHE HA H 4 4.606 4.606 5.071 -0.465 19542 2862 1 12 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.084 2.635 19542 2863 1 12 . 1 1 4 4 PHE H H 4 9.550 9.550 9.146 0.404 19542 2864 1 12 . 1 1 5 5 GLN N N 5 120.517 120.517 123.117 -2.600 19542 2865 1 12 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.593 -0.171 19542 2866 1 12 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.743 -1.740 19542 2867 1 12 . 1 1 5 5 GLN CB C 5 32.594 32.594 30.007 2.587 19542 2868 1 12 . 1 1 5 5 GLN H H 5 9.406 9.406 7.940 1.466 19542 2869 1 12 . 1 1 6 6 HIS N N 6 118.478 118.478 116.818 1.660 19542 2870 1 12 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.620 -0.142 19542 2871 1 12 . 1 1 6 6 HIS CA C 6 56.627 56.627 56.125 0.502 19542 2872 1 12 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.384 -2.408 19542 2873 1 12 . 1 1 6 6 HIS H H 6 8.827 8.827 7.680 1.147 19542 2874 1 12 . 1 1 7 7 GLY N N 7 103.072 103.072 107.851 -4.779 19542 2875 1 12 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.569 0.355 19542 2876 1 12 . 1 1 7 7 GLY H H 7 8.440 8.440 8.632 -0.192 19542 2877 1 12 . 1 1 8 8 LYS N N 8 119.909 119.909 121.900 -1.991 19542 2878 1 12 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.593 0.235 19542 2879 1 12 . 1 1 8 8 LYS CB C 8 35.493 35.493 33.508 1.985 19542 2880 1 12 . 1 1 8 8 LYS H H 8 7.703 7.703 8.080 -0.377 19542 2881 1 12 . 1 1 9 9 VAL N N 9 122.232 122.232 122.291 -0.059 19542 2882 1 12 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.940 -0.128 19542 2883 1 12 . 1 1 9 9 VAL CA C 9 63.286 63.286 62.626 0.660 19542 2884 1 12 . 1 1 9 9 VAL CB C 9 26.812 26.812 29.943 -3.131 19542 2885 1 12 . 1 1 9 9 VAL H H 9 8.552 8.552 8.471 0.081 19542 2886 1 12 . 1 1 10 10 VAL N N 10 123.963 123.963 125.627 -1.664 19542 2887 1 12 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.582 0.024 19542 2888 1 12 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.368 1.024 19542 2889 1 12 . 1 1 10 10 VAL CB C 10 34.782 34.782 34.600 0.182 19542 2890 1 12 . 1 1 10 10 VAL H H 10 8.920 8.920 8.900 0.020 19542 2891 1 12 . 1 1 11 11 THR N N 11 118.572 118.572 119.246 -0.674 19542 2892 1 12 . 1 1 11 11 THR HA H 11 4.443 4.443 4.684 -0.241 19542 2893 1 12 . 1 1 11 11 THR CA C 11 62.719 62.719 62.256 0.463 19542 2894 1 12 . 1 1 11 11 THR CB C 11 68.689 68.689 68.487 0.202 19542 2895 1 12 . 1 1 11 11 THR H H 11 8.517 8.517 8.292 0.225 19542 2896 1 12 . 1 1 12 12 CYS N N 12 126.835 126.835 126.058 0.777 19542 2897 1 12 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.405 0.266 19542 2898 1 12 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.708 -5.671 19542 2899 1 12 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.382 11.510 19542 2900 1 12 . 1 1 12 12 CYS H H 12 8.970 8.970 8.827 0.143 19542 2901 1 12 . 1 1 13 13 HIS N N 13 121.091 121.091 121.103 -0.012 19542 2902 1 12 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.449 0.200 19542 2903 1 12 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.052 -1.554 19542 2904 1 12 . 1 1 13 13 HIS H H 13 9.015 9.015 8.481 0.534 19542 2905 1 12 . 1 1 14 14 ARG N N 14 120.872 120.872 122.087 -1.215 19542 2906 1 12 . 1 1 14 14 ARG HA H 14 4.043 4.043 3.884 0.159 19542 2907 1 12 . 1 1 14 14 ARG CA C 14 58.962 58.962 59.012 -0.050 19542 2908 1 12 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.920 0.094 19542 2909 1 12 . 1 1 14 14 ARG H H 14 8.689 8.689 8.314 0.375 19542 2910 1 12 . 1 1 15 15 ASP N N 15 121.233 121.233 116.823 4.410 19542 2911 1 12 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.588 -0.085 19542 2912 1 12 . 1 1 15 15 ASP CA C 15 54.306 54.306 55.023 -0.717 19542 2913 1 12 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.156 -2.049 19542 2914 1 12 . 1 1 15 15 ASP H H 15 8.907 8.907 7.280 1.627 19542 2915 1 12 . 1 1 16 16 MET N N 16 119.073 119.073 118.047 1.026 19542 2916 1 12 . 1 1 16 16 MET HA H 16 4.415 4.415 4.681 -0.266 19542 2917 1 12 . 1 1 16 16 MET CA C 16 55.995 55.995 54.202 1.794 19542 2918 1 12 . 1 1 16 16 MET CB C 16 32.662 32.662 31.835 0.827 19542 2919 1 12 . 1 1 16 16 MET H H 16 7.811 7.811 7.489 0.322 19542 2920 1 12 . 1 1 17 17 LYS N N 17 120.187 120.187 121.034 -0.847 19542 2921 1 12 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.113 0.154 19542 2922 1 12 . 1 1 17 17 LYS CA C 17 55.889 55.889 57.411 -1.522 19542 2923 1 12 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.119 0.987 19542 2924 1 12 . 1 1 17 17 LYS H H 17 7.763 7.763 8.153 -0.390 19542 2925 1 12 . 1 1 18 18 PHE N N 18 115.631 115.631 116.708 -1.077 19542 2926 1 12 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.200 -0.087 19542 2927 1 12 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.424 0.547 19542 2928 1 12 . 1 1 18 18 PHE CB C 18 43.018 43.018 43.278 -0.260 19542 2929 1 12 . 1 1 18 18 PHE H H 18 8.252 8.252 8.114 0.138 19542 2930 1 12 . 1 1 19 19 CYS N N 19 115.508 115.508 118.955 -3.447 19542 2931 1 12 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.543 0.459 19542 2932 1 12 . 1 1 19 19 CYS CA C 19 52.258 52.258 57.750 -5.492 19542 2933 1 12 . 1 1 19 19 CYS CB C 19 38.627 38.627 29.191 9.436 19542 2934 1 12 . 1 1 19 19 CYS H H 19 9.343 9.343 9.477 -0.134 19542 2935 1 12 . 1 1 20 20 TYR N N 20 128.934 128.934 117.759 11.175 19542 2936 1 12 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.861 0.346 19542 2937 1 12 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.849 0.852 19542 2938 1 12 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.336 1.849 19542 2939 1 12 . 1 1 20 20 TYR H H 20 8.871 8.871 9.108 -0.237 19542 2940 1 12 . 1 1 21 21 HIS N N 21 122.079 122.079 121.489 0.590 19542 2941 1 12 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.867 0.416 19542 2942 1 12 . 1 1 21 21 HIS CA C 21 54.713 54.713 55.107 -0.394 19542 2943 1 12 . 1 1 21 21 HIS CB C 21 31.719 31.719 32.113 -0.394 19542 2944 1 12 . 1 1 21 21 HIS H H 21 8.797 8.797 9.268 -0.471 19542 2945 1 12 . 1 1 22 22 ASN N N 22 128.444 128.444 128.060 0.384 19542 2946 1 12 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.553 0.293 19542 2947 1 12 . 1 1 22 22 ASN CA C 22 52.512 52.512 52.795 -0.283 19542 2948 1 12 . 1 1 22 22 ASN CB C 22 40.821 40.821 39.817 1.004 19542 2949 1 12 . 1 1 22 22 ASN H H 22 9.823 9.823 8.338 1.485 19542 2950 1 12 . 1 1 23 23 THR N N 23 116.691 116.691 119.085 -2.394 19542 2951 1 12 . 1 1 23 23 THR HA H 23 4.604 4.604 4.626 -0.022 19542 2952 1 12 . 1 1 23 23 THR CA C 23 57.003 57.003 60.869 -3.866 19542 2953 1 12 . 1 1 23 23 THR CB C 23 69.344 69.344 69.936 -0.592 19542 2954 1 12 . 1 1 23 23 THR H H 23 8.561 8.561 8.696 -0.135 19542 2955 1 12 . 1 1 24 24 GLY N N 24 110.763 110.763 110.849 -0.086 19542 2956 1 12 . 1 1 24 24 GLY CA C 24 44.993 44.993 45.312 -0.319 19542 2957 1 12 . 1 1 24 24 GLY H H 24 8.608 8.608 8.563 0.045 19542 2958 1 12 . 1 1 25 25 MET N N 25 120.520 120.520 122.544 -2.024 19542 2959 1 12 . 1 1 25 25 MET HA H 25 4.818 4.818 4.776 0.042 19542 2960 1 12 . 1 1 25 25 MET CA C 25 53.892 53.892 54.198 -0.306 19542 2961 1 12 . 1 1 25 25 MET CB C 25 32.399 32.399 31.990 0.409 19542 2962 1 12 . 1 1 25 25 MET H H 25 8.418 8.418 8.018 0.400 19542 2963 1 12 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.559 -0.182 19542 2964 1 12 . 1 1 26 26 PRO CA C 26 63.841 63.841 62.560 1.281 19542 2965 1 12 . 1 1 26 26 PRO CB C 26 31.750 31.750 32.510 -0.760 19542 2966 1 12 . 1 1 27 27 PHE N N 27 118.056 118.056 119.770 -1.714 19542 2967 1 12 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.714 -0.089 19542 2968 1 12 . 1 1 27 27 PHE CA C 27 57.332 57.332 57.028 0.304 19542 2969 1 12 . 1 1 27 27 PHE CB C 27 39.701 39.701 41.963 -2.262 19542 2970 1 12 . 1 1 27 27 PHE H H 27 7.988 7.988 8.200 -0.212 19542 2971 1 12 . 1 1 28 28 ARG N N 28 121.294 121.294 123.070 -1.776 19542 2972 1 12 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.582 -0.523 19542 2973 1 12 . 1 1 28 28 ARG CA C 28 57.142 57.142 55.900 1.242 19542 2974 1 12 . 1 1 28 28 ARG CB C 28 29.711 29.711 31.062 -1.351 19542 2975 1 12 . 1 1 28 28 ARG H H 28 8.333 8.333 8.783 -0.450 19542 2976 1 12 . 1 1 29 29 ASN N N 29 116.243 116.243 117.086 -0.843 19542 2977 1 12 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.372 0.224 19542 2978 1 12 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.206 -0.411 19542 2979 1 12 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.788 0.451 19542 2980 1 12 . 1 1 29 29 ASN H H 29 8.356 8.356 8.979 -0.623 19542 2981 1 12 . 1 1 30 30 LEU N N 30 121.660 121.660 117.639 4.021 19542 2982 1 12 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.422 0.023 19542 2983 1 12 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.590 0.613 19542 2984 1 12 . 1 1 30 30 LEU CB C 30 42.982 42.982 44.437 -1.455 19542 2985 1 12 . 1 1 30 30 LEU H H 30 8.028 8.028 7.337 0.691 19542 2986 1 12 . 1 1 31 31 LYS N N 31 120.928 120.928 124.224 -3.296 19542 2987 1 12 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.541 -0.163 19542 2988 1 12 . 1 1 31 31 LYS CA C 31 56.271 56.271 54.912 1.359 19542 2989 1 12 . 1 1 31 31 LYS CB C 31 32.230 32.230 32.258 -0.028 19542 2990 1 12 . 1 1 31 31 LYS H H 31 8.306 8.306 8.372 -0.066 19542 2991 1 12 . 1 1 32 32 LEU N N 32 122.843 122.843 125.935 -3.092 19542 2992 1 12 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.212 0.234 19542 2993 1 12 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.236 0.248 19542 2994 1 12 . 1 1 32 32 LEU CB C 32 43.404 43.404 41.861 1.543 19542 2995 1 12 . 1 1 32 32 LEU H H 32 8.027 8.027 7.881 0.146 19542 2996 1 12 . 1 1 33 33 ILE N N 33 123.311 123.311 129.272 -5.961 19542 2997 1 12 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.301 0.082 19542 2998 1 12 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.540 1.055 19542 2999 1 12 . 1 1 33 33 ILE CB C 33 38.303 38.303 39.126 -0.823 19542 3000 1 12 . 1 1 33 33 ILE H H 33 8.327 8.327 8.123 0.204 19542 3001 1 12 . 1 1 34 34 LEU N N 34 128.669 128.669 131.522 -2.853 19542 3002 1 12 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.451 0.343 19542 3003 1 12 . 1 1 34 34 LEU CB C 34 42.873 42.873 40.539 2.333 19542 3004 1 12 . 1 1 34 34 LEU H H 34 8.880 8.880 8.668 0.212 19542 3005 1 12 . 1 1 35 35 GLN N N 35 121.600 121.600 120.672 0.928 19542 3006 1 12 . 1 1 35 35 GLN HA H 35 4.588 4.588 5.126 -0.538 19542 3007 1 12 . 1 1 35 35 GLN CA C 35 61.390 61.390 53.921 7.469 19542 3008 1 12 . 1 1 35 35 GLN CB C 35 33.866 33.866 30.662 3.204 19542 3009 1 12 . 1 1 35 35 GLN H H 35 8.210 8.210 7.896 0.314 19542 3010 1 12 . 1 1 36 36 GLY N N 36 106.726 106.726 109.941 -3.215 19542 3011 1 12 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.875 2.003 19542 3012 1 12 . 1 1 36 36 GLY H H 36 6.121 6.121 7.109 -0.988 19542 3013 1 12 . 1 1 37 37 CYS N N 37 124.584 124.584 119.260 5.324 19542 3014 1 12 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.360 0.514 19542 3015 1 12 . 1 1 37 37 CYS CA C 37 55.955 55.955 57.897 -1.942 19542 3016 1 12 . 1 1 37 37 CYS CB C 37 48.202 48.202 29.633 18.569 19542 3017 1 12 . 1 1 37 37 CYS H H 37 8.505 8.505 8.604 -0.099 19542 3018 1 12 . 1 1 38 38 SER N N 38 115.036 115.036 117.908 -2.872 19542 3019 1 12 . 1 1 38 38 SER HA H 38 4.980 4.980 4.934 0.046 19542 3020 1 12 . 1 1 38 38 SER CA C 38 58.792 58.792 56.846 1.946 19542 3021 1 12 . 1 1 38 38 SER CB C 38 65.971 65.971 66.566 -0.595 19542 3022 1 12 . 1 1 38 38 SER H H 38 9.749 9.749 9.335 0.414 19542 3023 1 12 . 1 1 39 39 SER N N 39 117.276 117.276 118.953 -1.677 19542 3024 1 12 . 1 1 39 39 SER HA H 39 4.827 4.827 5.001 -0.174 19542 3025 1 12 . 1 1 39 39 SER CA C 39 60.040 60.040 58.998 1.042 19542 3026 1 12 . 1 1 39 39 SER CB C 39 63.784 63.784 63.785 -0.001 19542 3027 1 12 . 1 1 39 39 SER H H 39 9.161 9.161 9.008 0.153 19542 3028 1 12 . 1 1 40 40 SER N N 40 115.041 115.041 114.551 0.490 19542 3029 1 12 . 1 1 40 40 SER HA H 40 4.660 4.660 4.792 -0.132 19542 3030 1 12 . 1 1 40 40 SER CA C 40 55.868 55.868 56.832 -0.964 19542 3031 1 12 . 1 1 40 40 SER CB C 40 64.868 64.868 65.988 -1.120 19542 3032 1 12 . 1 1 40 40 SER H H 40 7.911 7.911 7.742 0.169 19542 3033 1 12 . 1 1 41 41 CYS N N 41 124.146 124.146 120.385 3.761 19542 3034 1 12 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.326 -0.017 19542 3035 1 12 . 1 1 41 41 CYS CA C 41 57.567 57.567 57.621 -0.054 19542 3036 1 12 . 1 1 41 41 CYS CB C 41 40.000 40.000 26.384 13.616 19542 3037 1 12 . 1 1 41 41 CYS H H 41 8.067 8.067 8.151 -0.084 19542 3038 1 12 . 1 1 42 42 SER N N 42 118.590 118.590 123.743 -5.153 19542 3039 1 12 . 1 1 42 42 SER HA H 42 4.611 4.611 4.487 0.124 19542 3040 1 12 . 1 1 42 42 SER CA C 42 59.020 59.020 57.289 1.731 19542 3041 1 12 . 1 1 42 42 SER CB C 42 64.112 64.112 63.361 0.750 19542 3042 1 12 . 1 1 42 42 SER H H 42 8.491 8.491 8.639 -0.148 19542 3043 1 12 . 1 1 43 43 GLU N N 43 118.830 118.830 127.125 -8.295 19542 3044 1 12 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.288 0.361 19542 3045 1 12 . 1 1 43 43 GLU CA C 43 56.856 56.856 56.909 -0.053 19542 3046 1 12 . 1 1 43 43 GLU CB C 43 29.206 29.206 29.289 -0.083 19542 3047 1 12 . 1 1 43 43 GLU H H 43 8.861 8.861 8.605 0.256 19542 3048 1 12 . 1 1 44 44 THR N N 44 117.954 117.954 116.902 1.052 19542 3049 1 12 . 1 1 44 44 THR HA H 44 4.619 4.619 4.707 -0.088 19542 3050 1 12 . 1 1 44 44 THR CB C 44 72.341 72.341 70.950 1.391 19542 3051 1 12 . 1 1 44 44 THR H H 44 9.030 9.030 8.274 0.756 19542 3052 1 12 . 1 1 45 45 GLU N N 45 127.100 127.100 119.829 7.271 19542 3053 1 12 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.198 -0.104 19542 3054 1 12 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.386 0.547 19542 3055 1 12 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.883 -2.874 19542 3056 1 12 . 1 1 45 45 GLU H H 45 8.837 8.837 8.886 -0.049 19542 3057 1 12 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.949 -0.047 19542 3058 1 12 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.679 -1.435 19542 3059 1 12 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.541 0.512 19542 3060 1 12 . 1 1 46 46 ASN H H 46 8.018 8.018 8.039 -0.021 19542 3061 1 12 . 1 1 47 47 ASN N N 47 120.765 120.765 118.384 2.381 19542 3062 1 12 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.138 0.224 19542 3063 1 12 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.706 1.273 19542 3064 1 12 . 1 1 47 47 ASN CB C 47 41.749 41.749 39.482 2.267 19542 3065 1 12 . 1 1 47 47 ASN H H 47 7.835 7.835 8.246 -0.411 19542 3066 1 12 . 1 1 48 48 LYS N N 48 123.576 123.576 127.895 -4.319 19542 3067 1 12 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.855 -0.013 19542 3068 1 12 . 1 1 48 48 LYS CB C 48 34.398 34.398 34.133 0.265 19542 3069 1 12 . 1 1 48 48 LYS H H 48 8.548 8.548 8.792 -0.244 19542 3070 1 12 . 1 1 49 49 CYS N N 49 116.141 116.141 120.104 -3.963 19542 3071 1 12 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.901 -0.348 19542 3072 1 12 . 1 1 49 49 CYS CA C 49 53.386 53.386 55.739 -2.353 19542 3073 1 12 . 1 1 49 49 CYS CB C 49 44.935 44.935 27.442 17.493 19542 3074 1 12 . 1 1 49 49 CYS H H 49 8.873 8.873 8.767 0.106 19542 3075 1 12 . 1 1 50 50 CYS N N 50 118.484 118.484 120.905 -2.421 19542 3076 1 12 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.931 0.334 19542 3077 1 12 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.524 -1.541 19542 3078 1 12 . 1 1 50 50 CYS CB C 50 46.111 46.111 31.165 14.946 19542 3079 1 12 . 1 1 50 50 CYS H H 50 9.389 9.389 9.454 -0.065 19542 3080 1 12 . 1 1 51 51 SER N N 51 115.213 115.213 116.973 -1.760 19542 3081 1 12 . 1 1 51 51 SER HA H 51 5.016 5.016 4.768 0.248 19542 3082 1 12 . 1 1 51 51 SER CA C 51 58.118 58.118 58.426 -0.308 19542 3083 1 12 . 1 1 51 51 SER CB C 51 64.457 64.457 63.296 1.161 19542 3084 1 12 . 1 1 51 51 SER H H 51 9.290 9.290 8.748 0.542 19542 3085 1 12 . 1 1 52 52 THR N N 52 112.156 112.156 114.476 -2.320 19542 3086 1 12 . 1 1 52 52 THR HA H 52 4.692 4.692 4.574 0.118 19542 3087 1 12 . 1 1 52 52 THR CA C 52 59.835 59.835 60.765 -0.930 19542 3088 1 12 . 1 1 52 52 THR CB C 52 71.872 71.872 70.953 0.919 19542 3089 1 12 . 1 1 52 52 THR H H 52 7.624 7.624 7.330 0.294 19542 3090 1 12 . 1 1 53 53 ASP N N 53 119.869 119.869 122.637 -2.768 19542 3091 1 12 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.368 0.602 19542 3092 1 12 . 1 1 53 53 ASP CA C 53 55.485 55.485 55.467 0.018 19542 3093 1 12 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.597 0.125 19542 3094 1 12 . 1 1 53 53 ASP H H 53 8.410 8.410 8.669 -0.259 19542 3095 1 12 . 1 1 54 54 ARG N N 54 111.677 111.677 120.612 -8.935 19542 3096 1 12 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.545 -0.360 19542 3097 1 12 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.049 0.913 19542 3098 1 12 . 1 1 54 54 ARG CB C 54 28.429 28.429 26.877 1.552 19542 3099 1 12 . 1 1 54 54 ARG H H 54 9.306 9.306 8.749 0.557 19542 3100 1 12 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.384 0.177 19542 3101 1 12 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.365 -1.551 19542 3102 1 12 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.811 18.424 19542 3103 1 12 . 1 1 55 55 CYS H H 55 7.995 7.995 8.052 -0.057 19542 3104 1 12 . 1 1 56 56 ASN N N 56 121.881 121.881 120.382 1.499 19542 3105 1 12 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.544 0.266 19542 3106 1 12 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.584 -0.218 19542 3107 1 12 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.478 1.359 19542 3108 1 12 . 1 1 56 56 ASN H H 56 8.755 8.755 8.596 0.159 19542 3109 1 13 . 1 1 2 2 LYS N N 2 126.352 126.352 121.198 5.154 19542 3110 1 13 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.238 0.152 19542 3111 1 13 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.469 -0.067 19542 3112 1 13 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.440 -3.706 19542 3113 1 13 . 1 1 2 2 LYS H H 2 8.381 8.381 9.192 -0.811 19542 3114 1 13 . 1 1 3 3 CYS N N 3 117.974 117.974 120.669 -2.695 19542 3115 1 13 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.437 0.522 19542 3116 1 13 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.263 -6.991 19542 3117 1 13 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.183 9.856 19542 3118 1 13 . 1 1 3 3 CYS H H 3 8.394 8.394 8.519 -0.125 19542 3119 1 13 . 1 1 4 4 PHE N N 4 120.016 120.016 121.080 -1.064 19542 3120 1 13 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.873 -0.267 19542 3121 1 13 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.111 2.608 19542 3122 1 13 . 1 1 4 4 PHE H H 4 9.550 9.550 9.071 0.479 19542 3123 1 13 . 1 1 5 5 GLN N N 5 120.517 120.517 122.910 -2.393 19542 3124 1 13 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.432 -0.010 19542 3125 1 13 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.464 -1.461 19542 3126 1 13 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.835 2.759 19542 3127 1 13 . 1 1 5 5 GLN H H 5 9.406 9.406 7.795 1.611 19542 3128 1 13 . 1 1 6 6 HIS N N 6 118.478 118.478 116.722 1.756 19542 3129 1 13 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.712 -0.234 19542 3130 1 13 . 1 1 6 6 HIS CA C 6 56.627 56.627 55.636 0.991 19542 3131 1 13 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.482 -2.506 19542 3132 1 13 . 1 1 6 6 HIS H H 6 8.827 8.827 7.418 1.409 19542 3133 1 13 . 1 1 7 7 GLY N N 7 103.072 103.072 106.048 -2.976 19542 3134 1 13 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.923 0.001 19542 3135 1 13 . 1 1 7 7 GLY H H 7 8.440 8.440 8.616 -0.176 19542 3136 1 13 . 1 1 8 8 LYS N N 8 119.909 119.909 120.850 -0.941 19542 3137 1 13 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.852 -0.024 19542 3138 1 13 . 1 1 8 8 LYS CB C 8 35.493 35.493 35.129 0.364 19542 3139 1 13 . 1 1 8 8 LYS H H 8 7.703 7.703 7.783 -0.080 19542 3140 1 13 . 1 1 9 9 VAL N N 9 122.232 122.232 121.847 0.385 19542 3141 1 13 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.880 -0.068 19542 3142 1 13 . 1 1 9 9 VAL CA C 9 63.286 63.286 62.963 0.323 19542 3143 1 13 . 1 1 9 9 VAL CB C 9 26.812 26.812 31.053 -4.242 19542 3144 1 13 . 1 1 9 9 VAL H H 9 8.552 8.552 8.470 0.082 19542 3145 1 13 . 1 1 10 10 VAL N N 10 123.963 123.963 124.887 -0.924 19542 3146 1 13 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.631 -0.025 19542 3147 1 13 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.316 1.076 19542 3148 1 13 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.154 -0.371 19542 3149 1 13 . 1 1 10 10 VAL H H 10 8.920 8.920 8.620 0.300 19542 3150 1 13 . 1 1 11 11 THR N N 11 118.572 118.572 119.523 -0.951 19542 3151 1 13 . 1 1 11 11 THR HA H 11 4.443 4.443 4.354 0.089 19542 3152 1 13 . 1 1 11 11 THR CA C 11 62.719 62.719 62.276 0.444 19542 3153 1 13 . 1 1 11 11 THR CB C 11 68.689 68.689 68.528 0.161 19542 3154 1 13 . 1 1 11 11 THR H H 11 8.517 8.517 8.144 0.373 19542 3155 1 13 . 1 1 12 12 CYS N N 12 126.835 126.835 125.700 1.135 19542 3156 1 13 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.451 0.220 19542 3157 1 13 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.981 -5.945 19542 3158 1 13 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.399 11.493 19542 3159 1 13 . 1 1 12 12 CYS H H 12 8.970 8.970 8.220 0.750 19542 3160 1 13 . 1 1 13 13 HIS N N 13 121.091 121.091 122.632 -1.541 19542 3161 1 13 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.451 0.198 19542 3162 1 13 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.361 -1.863 19542 3163 1 13 . 1 1 13 13 HIS H H 13 9.015 9.015 8.457 0.558 19542 3164 1 13 . 1 1 14 14 ARG N N 14 120.872 120.872 120.907 -0.035 19542 3165 1 13 . 1 1 14 14 ARG HA H 14 4.043 4.043 3.896 0.147 19542 3166 1 13 . 1 1 14 14 ARG CA C 14 58.962 58.962 59.076 -0.114 19542 3167 1 13 . 1 1 14 14 ARG CB C 14 30.014 30.014 30.000 0.014 19542 3168 1 13 . 1 1 14 14 ARG H H 14 8.689 8.689 8.100 0.589 19542 3169 1 13 . 1 1 15 15 ASP N N 15 121.233 121.233 118.446 2.787 19542 3170 1 13 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.607 -0.104 19542 3171 1 13 . 1 1 15 15 ASP CA C 15 54.306 54.306 56.301 -1.995 19542 3172 1 13 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.093 -1.986 19542 3173 1 13 . 1 1 15 15 ASP H H 15 8.907 8.907 7.894 1.013 19542 3174 1 13 . 1 1 16 16 MET N N 16 119.073 119.073 118.410 0.663 19542 3175 1 13 . 1 1 16 16 MET HA H 16 4.415 4.415 4.718 -0.303 19542 3176 1 13 . 1 1 16 16 MET CA C 16 55.995 55.995 54.533 1.462 19542 3177 1 13 . 1 1 16 16 MET CB C 16 32.662 32.662 31.597 1.065 19542 3178 1 13 . 1 1 16 16 MET H H 16 7.811 7.811 7.787 0.024 19542 3179 1 13 . 1 1 17 17 LYS N N 17 120.187 120.187 122.072 -1.885 19542 3180 1 13 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.181 0.086 19542 3181 1 13 . 1 1 17 17 LYS CA C 17 55.889 55.889 56.737 -0.848 19542 3182 1 13 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.373 0.733 19542 3183 1 13 . 1 1 17 17 LYS H H 17 7.763 7.763 8.258 -0.495 19542 3184 1 13 . 1 1 18 18 PHE N N 18 115.631 115.631 118.198 -2.567 19542 3185 1 13 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.203 -0.090 19542 3186 1 13 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.147 0.824 19542 3187 1 13 . 1 1 18 18 PHE CB C 18 43.018 43.018 41.602 1.416 19542 3188 1 13 . 1 1 18 18 PHE H H 18 8.252 8.252 8.046 0.206 19542 3189 1 13 . 1 1 19 19 CYS N N 19 115.508 115.508 123.433 -7.925 19542 3190 1 13 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.089 0.913 19542 3191 1 13 . 1 1 19 19 CYS CA C 19 52.258 52.258 58.483 -6.225 19542 3192 1 13 . 1 1 19 19 CYS CB C 19 38.627 38.627 26.543 12.084 19542 3193 1 13 . 1 1 19 19 CYS H H 19 9.343 9.343 9.183 0.160 19542 3194 1 13 . 1 1 20 20 TYR N N 20 128.934 128.934 120.559 8.375 19542 3195 1 13 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.720 0.487 19542 3196 1 13 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.697 1.004 19542 3197 1 13 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.134 2.050 19542 3198 1 13 . 1 1 20 20 TYR H H 20 8.871 8.871 8.951 -0.080 19542 3199 1 13 . 1 1 21 21 HIS N N 21 122.079 122.079 122.639 -0.560 19542 3200 1 13 . 1 1 21 21 HIS HA H 21 5.283 5.283 5.042 0.241 19542 3201 1 13 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.390 0.323 19542 3202 1 13 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.852 -0.133 19542 3203 1 13 . 1 1 21 21 HIS H H 21 8.797 8.797 9.169 -0.372 19542 3204 1 13 . 1 1 22 22 ASN N N 22 128.444 128.444 128.445 -0.001 19542 3205 1 13 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.128 0.718 19542 3206 1 13 . 1 1 22 22 ASN CA C 22 52.512 52.512 52.269 0.243 19542 3207 1 13 . 1 1 22 22 ASN CB C 22 40.821 40.821 39.524 1.297 19542 3208 1 13 . 1 1 22 22 ASN H H 22 9.823 9.823 9.385 0.438 19542 3209 1 13 . 1 1 23 23 THR N N 23 116.691 116.691 121.981 -5.290 19542 3210 1 13 . 1 1 23 23 THR HA H 23 4.604 4.604 4.660 -0.056 19542 3211 1 13 . 1 1 23 23 THR CA C 23 57.003 57.003 62.713 -5.710 19542 3212 1 13 . 1 1 23 23 THR CB C 23 69.344 69.344 69.176 0.168 19542 3213 1 13 . 1 1 23 23 THR H H 23 8.561 8.561 8.046 0.515 19542 3214 1 13 . 1 1 24 24 GLY N N 24 110.763 110.763 109.117 1.646 19542 3215 1 13 . 1 1 24 24 GLY CA C 24 44.993 44.993 45.049 -0.056 19542 3216 1 13 . 1 1 24 24 GLY H H 24 8.608 8.608 8.225 0.383 19542 3217 1 13 . 1 1 25 25 MET N N 25 120.520 120.520 121.714 -1.194 19542 3218 1 13 . 1 1 25 25 MET HA H 25 4.818 4.818 4.689 0.129 19542 3219 1 13 . 1 1 25 25 MET CA C 25 53.892 53.892 53.666 0.226 19542 3220 1 13 . 1 1 25 25 MET CB C 25 32.399 32.399 32.592 -0.193 19542 3221 1 13 . 1 1 25 25 MET H H 25 8.418 8.418 8.298 0.120 19542 3222 1 13 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.477 -0.100 19542 3223 1 13 . 1 1 26 26 PRO CA C 26 63.841 63.841 63.040 0.801 19542 3224 1 13 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.317 0.433 19542 3225 1 13 . 1 1 27 27 PHE N N 27 118.056 118.056 123.817 -5.761 19542 3226 1 13 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.651 -0.026 19542 3227 1 13 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.941 0.391 19542 3228 1 13 . 1 1 27 27 PHE CB C 27 39.701 39.701 41.638 -1.937 19542 3229 1 13 . 1 1 27 27 PHE H H 27 7.988 7.988 8.162 -0.174 19542 3230 1 13 . 1 1 28 28 ARG N N 28 121.294 121.294 122.939 -1.645 19542 3231 1 13 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.444 -0.385 19542 3232 1 13 . 1 1 28 28 ARG CA C 28 57.142 57.142 56.340 0.802 19542 3233 1 13 . 1 1 28 28 ARG CB C 28 29.711 29.711 30.579 -0.868 19542 3234 1 13 . 1 1 28 28 ARG H H 28 8.333 8.333 8.736 -0.403 19542 3235 1 13 . 1 1 29 29 ASN N N 29 116.243 116.243 118.465 -2.222 19542 3236 1 13 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.355 0.241 19542 3237 1 13 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.280 -0.485 19542 3238 1 13 . 1 1 29 29 ASN CB C 29 38.239 38.239 38.583 -0.344 19542 3239 1 13 . 1 1 29 29 ASN H H 29 8.356 8.356 9.029 -0.673 19542 3240 1 13 . 1 1 30 30 LEU N N 30 121.660 121.660 120.238 1.422 19542 3241 1 13 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.529 -0.084 19542 3242 1 13 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.212 0.991 19542 3243 1 13 . 1 1 30 30 LEU CB C 30 42.982 42.982 43.414 -0.432 19542 3244 1 13 . 1 1 30 30 LEU H H 30 8.028 8.028 7.381 0.647 19542 3245 1 13 . 1 1 31 31 LYS N N 31 120.928 120.928 126.271 -5.343 19542 3246 1 13 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.512 -0.134 19542 3247 1 13 . 1 1 31 31 LYS CA C 31 56.271 56.271 54.472 1.799 19542 3248 1 13 . 1 1 31 31 LYS CB C 31 32.230 32.230 31.989 0.241 19542 3249 1 13 . 1 1 31 31 LYS H H 31 8.306 8.306 8.581 -0.275 19542 3250 1 13 . 1 1 32 32 LEU N N 32 122.843 122.843 127.510 -4.667 19542 3251 1 13 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.397 0.049 19542 3252 1 13 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.853 -0.369 19542 3253 1 13 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.608 0.796 19542 3254 1 13 . 1 1 32 32 LEU H H 32 8.027 8.027 8.636 -0.609 19542 3255 1 13 . 1 1 33 33 ILE N N 33 123.311 123.311 126.479 -3.168 19542 3256 1 13 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.543 -0.160 19542 3257 1 13 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.571 1.024 19542 3258 1 13 . 1 1 33 33 ILE CB C 33 38.303 38.303 37.156 1.147 19542 3259 1 13 . 1 1 33 33 ILE H H 33 8.327 8.327 8.421 -0.094 19542 3260 1 13 . 1 1 34 34 LEU N N 34 128.669 128.669 129.493 -0.824 19542 3261 1 13 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.806 -0.012 19542 3262 1 13 . 1 1 34 34 LEU CB C 34 42.873 42.873 41.474 1.399 19542 3263 1 13 . 1 1 34 34 LEU H H 34 8.880 8.880 8.360 0.520 19542 3264 1 13 . 1 1 35 35 GLN N N 35 121.600 121.600 121.114 0.486 19542 3265 1 13 . 1 1 35 35 GLN HA H 35 4.588 4.588 5.130 -0.542 19542 3266 1 13 . 1 1 35 35 GLN CA C 35 61.390 61.390 55.082 6.308 19542 3267 1 13 . 1 1 35 35 GLN CB C 35 33.866 33.866 30.437 3.429 19542 3268 1 13 . 1 1 35 35 GLN H H 35 8.210 8.210 7.960 0.251 19542 3269 1 13 . 1 1 36 36 GLY N N 36 106.726 106.726 109.924 -3.198 19542 3270 1 13 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.684 2.194 19542 3271 1 13 . 1 1 36 36 GLY H H 36 6.121 6.121 7.388 -1.267 19542 3272 1 13 . 1 1 37 37 CYS N N 37 124.584 124.584 119.225 5.359 19542 3273 1 13 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.329 0.545 19542 3274 1 13 . 1 1 37 37 CYS CA C 37 55.955 55.955 58.017 -2.062 19542 3275 1 13 . 1 1 37 37 CYS CB C 37 48.202 48.202 30.302 17.900 19542 3276 1 13 . 1 1 37 37 CYS H H 37 8.505 8.505 8.553 -0.048 19542 3277 1 13 . 1 1 38 38 SER N N 38 115.036 115.036 118.898 -3.862 19542 3278 1 13 . 1 1 38 38 SER HA H 38 4.980 4.980 5.054 -0.074 19542 3279 1 13 . 1 1 38 38 SER CA C 38 58.792 58.792 56.624 2.168 19542 3280 1 13 . 1 1 38 38 SER CB C 38 65.971 65.971 65.748 0.223 19542 3281 1 13 . 1 1 38 38 SER H H 38 9.749 9.749 9.394 0.355 19542 3282 1 13 . 1 1 39 39 SER N N 39 117.276 117.276 120.703 -3.427 19542 3283 1 13 . 1 1 39 39 SER HA H 39 4.827 4.827 4.767 0.060 19542 3284 1 13 . 1 1 39 39 SER CA C 39 60.040 60.040 61.406 -1.365 19542 3285 1 13 . 1 1 39 39 SER CB C 39 63.784 63.784 63.649 0.135 19542 3286 1 13 . 1 1 39 39 SER H H 39 9.161 9.161 8.856 0.305 19542 3287 1 13 . 1 1 40 40 SER N N 40 115.041 115.041 115.021 0.020 19542 3288 1 13 . 1 1 40 40 SER HA H 40 4.660 4.660 4.738 -0.078 19542 3289 1 13 . 1 1 40 40 SER CA C 40 55.868 55.868 56.884 -1.016 19542 3290 1 13 . 1 1 40 40 SER CB C 40 64.868 64.868 65.631 -0.763 19542 3291 1 13 . 1 1 40 40 SER H H 40 7.911 7.911 7.958 -0.047 19542 3292 1 13 . 1 1 41 41 CYS N N 41 124.146 124.146 121.548 2.598 19542 3293 1 13 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.310 -0.001 19542 3294 1 13 . 1 1 41 41 CYS CA C 41 57.567 57.567 58.774 -1.207 19542 3295 1 13 . 1 1 41 41 CYS CB C 41 40.000 40.000 27.139 12.861 19542 3296 1 13 . 1 1 41 41 CYS H H 41 8.067 8.067 8.023 0.044 19542 3297 1 13 . 1 1 42 42 SER N N 42 118.590 118.590 120.171 -1.581 19542 3298 1 13 . 1 1 42 42 SER HA H 42 4.611 4.611 4.391 0.220 19542 3299 1 13 . 1 1 42 42 SER CA C 42 59.020 59.020 57.644 1.376 19542 3300 1 13 . 1 1 42 42 SER CB C 42 64.112 64.112 63.811 0.301 19542 3301 1 13 . 1 1 42 42 SER H H 42 8.491 8.491 8.620 -0.129 19542 3302 1 13 . 1 1 43 43 GLU N N 43 118.830 118.830 128.431 -9.601 19542 3303 1 13 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.347 0.302 19542 3304 1 13 . 1 1 43 43 GLU CA C 43 56.856 56.856 56.406 0.450 19542 3305 1 13 . 1 1 43 43 GLU CB C 43 29.206 29.206 29.706 -0.500 19542 3306 1 13 . 1 1 43 43 GLU H H 43 8.861 8.861 8.738 0.123 19542 3307 1 13 . 1 1 44 44 THR N N 44 117.954 117.954 117.452 0.502 19542 3308 1 13 . 1 1 44 44 THR HA H 44 4.619 4.619 4.370 0.249 19542 3309 1 13 . 1 1 44 44 THR CB C 44 72.341 72.341 70.163 2.178 19542 3310 1 13 . 1 1 44 44 THR H H 44 9.030 9.030 7.850 1.180 19542 3311 1 13 . 1 1 45 45 GLU N N 45 127.100 127.100 125.196 1.904 19542 3312 1 13 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.149 -0.055 19542 3313 1 13 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.587 0.347 19542 3314 1 13 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.568 -2.559 19542 3315 1 13 . 1 1 45 45 GLU H H 45 8.837 8.837 8.855 -0.018 19542 3316 1 13 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.465 0.437 19542 3317 1 13 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.958 -1.714 19542 3318 1 13 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.358 0.695 19542 3319 1 13 . 1 1 46 46 ASN H H 46 8.018 8.018 7.684 0.334 19542 3320 1 13 . 1 1 47 47 ASN N N 47 120.765 120.765 117.719 3.046 19542 3321 1 13 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.416 -0.054 19542 3322 1 13 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.381 1.598 19542 3323 1 13 . 1 1 47 47 ASN CB C 47 41.749 41.749 40.613 1.136 19542 3324 1 13 . 1 1 47 47 ASN H H 47 7.835 7.835 7.427 0.408 19542 3325 1 13 . 1 1 48 48 LYS N N 48 123.576 123.576 126.570 -2.994 19542 3326 1 13 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.650 0.192 19542 3327 1 13 . 1 1 48 48 LYS CB C 48 34.398 34.398 34.883 -0.485 19542 3328 1 13 . 1 1 48 48 LYS H H 48 8.548 8.548 8.827 -0.279 19542 3329 1 13 . 1 1 49 49 CYS N N 49 116.141 116.141 118.979 -2.838 19542 3330 1 13 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.717 -0.164 19542 3331 1 13 . 1 1 49 49 CYS CA C 49 53.386 53.386 57.744 -4.358 19542 3332 1 13 . 1 1 49 49 CYS CB C 49 44.935 44.935 29.285 15.650 19542 3333 1 13 . 1 1 49 49 CYS H H 49 8.873 8.873 8.491 0.382 19542 3334 1 13 . 1 1 50 50 CYS N N 50 118.484 118.484 121.801 -3.317 19542 3335 1 13 . 1 1 50 50 CYS HA H 50 5.265 5.265 5.009 0.256 19542 3336 1 13 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.416 -1.433 19542 3337 1 13 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.838 15.273 19542 3338 1 13 . 1 1 50 50 CYS H H 50 9.389 9.389 9.399 -0.010 19542 3339 1 13 . 1 1 51 51 SER N N 51 115.213 115.213 115.592 -0.379 19542 3340 1 13 . 1 1 51 51 SER HA H 51 5.016 5.016 4.875 0.141 19542 3341 1 13 . 1 1 51 51 SER CA C 51 58.118 58.118 57.649 0.469 19542 3342 1 13 . 1 1 51 51 SER CB C 51 64.457 64.457 63.635 0.822 19542 3343 1 13 . 1 1 51 51 SER H H 51 9.290 9.290 8.524 0.766 19542 3344 1 13 . 1 1 52 52 THR N N 52 112.156 112.156 118.844 -6.688 19542 3345 1 13 . 1 1 52 52 THR HA H 52 4.692 4.692 4.499 0.193 19542 3346 1 13 . 1 1 52 52 THR CA C 52 59.835 59.835 61.816 -1.981 19542 3347 1 13 . 1 1 52 52 THR CB C 52 71.872 71.872 71.946 -0.074 19542 3348 1 13 . 1 1 52 52 THR H H 52 7.624 7.624 7.346 0.278 19542 3349 1 13 . 1 1 53 53 ASP N N 53 119.869 119.869 123.344 -3.475 19542 3350 1 13 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.448 0.522 19542 3351 1 13 . 1 1 53 53 ASP CA C 53 55.485 55.485 55.999 -0.514 19542 3352 1 13 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.795 -0.073 19542 3353 1 13 . 1 1 53 53 ASP H H 53 8.410 8.410 8.642 -0.232 19542 3354 1 13 . 1 1 54 54 ARG N N 54 111.677 111.677 118.615 -6.938 19542 3355 1 13 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.444 -0.259 19542 3356 1 13 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.198 0.764 19542 3357 1 13 . 1 1 54 54 ARG CB C 54 28.429 28.429 26.898 1.531 19542 3358 1 13 . 1 1 54 54 ARG H H 54 9.306 9.306 8.526 0.780 19542 3359 1 13 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.463 0.098 19542 3360 1 13 . 1 1 55 55 CYS CA C 55 57.814 57.814 58.840 -1.026 19542 3361 1 13 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.670 18.566 19542 3362 1 13 . 1 1 55 55 CYS H H 55 7.995 7.995 7.769 0.226 19542 3363 1 13 . 1 1 56 56 ASN N N 56 121.881 121.881 120.396 1.485 19542 3364 1 13 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.667 0.143 19542 3365 1 13 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.494 -0.128 19542 3366 1 13 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.446 1.391 19542 3367 1 13 . 1 1 56 56 ASN H H 56 8.755 8.755 8.584 0.171 19542 3368 1 14 . 1 1 2 2 LYS N N 2 126.352 126.352 122.103 4.249 19542 3369 1 14 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.321 0.069 19542 3370 1 14 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.506 -0.104 19542 3371 1 14 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.003 -3.269 19542 3372 1 14 . 1 1 2 2 LYS H H 2 8.381 8.381 8.110 0.271 19542 3373 1 14 . 1 1 3 3 CYS N N 3 117.974 117.974 120.560 -2.586 19542 3374 1 14 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.517 0.442 19542 3375 1 14 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.424 -7.152 19542 3376 1 14 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.418 9.621 19542 3377 1 14 . 1 1 3 3 CYS H H 3 8.394 8.394 8.665 -0.271 19542 3378 1 14 . 1 1 4 4 PHE N N 4 120.016 120.016 121.468 -1.452 19542 3379 1 14 . 1 1 4 4 PHE HA H 4 4.606 4.606 5.017 -0.411 19542 3380 1 14 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.408 2.311 19542 3381 1 14 . 1 1 4 4 PHE H H 4 9.550 9.550 9.345 0.205 19542 3382 1 14 . 1 1 5 5 GLN N N 5 120.517 120.517 123.503 -2.986 19542 3383 1 14 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.261 0.161 19542 3384 1 14 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.600 -1.597 19542 3385 1 14 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.705 2.889 19542 3386 1 14 . 1 1 5 5 GLN H H 5 9.406 9.406 7.970 1.436 19542 3387 1 14 . 1 1 6 6 HIS N N 6 118.478 118.478 118.833 -0.355 19542 3388 1 14 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.556 -0.078 19542 3389 1 14 . 1 1 6 6 HIS CA C 6 56.627 56.627 55.604 1.023 19542 3390 1 14 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.222 -2.246 19542 3391 1 14 . 1 1 6 6 HIS H H 6 8.827 8.827 7.653 1.174 19542 3392 1 14 . 1 1 7 7 GLY N N 7 103.072 103.072 107.117 -4.045 19542 3393 1 14 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.694 0.230 19542 3394 1 14 . 1 1 7 7 GLY H H 7 8.440 8.440 8.578 -0.138 19542 3395 1 14 . 1 1 8 8 LYS N N 8 119.909 119.909 121.059 -1.150 19542 3396 1 14 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.873 -0.045 19542 3397 1 14 . 1 1 8 8 LYS CB C 8 35.493 35.493 34.283 1.210 19542 3398 1 14 . 1 1 8 8 LYS H H 8 7.703 7.703 7.764 -0.061 19542 3399 1 14 . 1 1 9 9 VAL N N 9 122.232 122.232 121.779 0.453 19542 3400 1 14 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.720 0.092 19542 3401 1 14 . 1 1 9 9 VAL CA C 9 63.286 63.286 62.961 0.325 19542 3402 1 14 . 1 1 9 9 VAL CB C 9 26.812 26.812 30.418 -3.606 19542 3403 1 14 . 1 1 9 9 VAL H H 9 8.552 8.552 8.349 0.203 19542 3404 1 14 . 1 1 10 10 VAL N N 10 123.963 123.963 124.964 -1.001 19542 3405 1 14 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.715 -0.109 19542 3406 1 14 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.125 1.267 19542 3407 1 14 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.077 -0.295 19542 3408 1 14 . 1 1 10 10 VAL H H 10 8.920 8.920 8.505 0.415 19542 3409 1 14 . 1 1 11 11 THR N N 11 118.572 118.572 119.553 -0.981 19542 3410 1 14 . 1 1 11 11 THR HA H 11 4.443 4.443 4.589 -0.146 19542 3411 1 14 . 1 1 11 11 THR CA C 11 62.719 62.719 62.564 0.155 19542 3412 1 14 . 1 1 11 11 THR CB C 11 68.689 68.689 68.333 0.356 19542 3413 1 14 . 1 1 11 11 THR H H 11 8.517 8.517 8.240 0.277 19542 3414 1 14 . 1 1 12 12 CYS N N 12 126.835 126.835 126.090 0.745 19542 3415 1 14 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.518 0.153 19542 3416 1 14 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.742 -5.706 19542 3417 1 14 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.936 10.956 19542 3418 1 14 . 1 1 12 12 CYS H H 12 8.970 8.970 8.512 0.458 19542 3419 1 14 . 1 1 13 13 HIS N N 13 121.091 121.091 122.080 -0.989 19542 3420 1 14 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.481 0.168 19542 3421 1 14 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.460 -1.962 19542 3422 1 14 . 1 1 13 13 HIS H H 13 9.015 9.015 8.570 0.445 19542 3423 1 14 . 1 1 14 14 ARG N N 14 120.872 120.872 120.181 0.691 19542 3424 1 14 . 1 1 14 14 ARG HA H 14 4.043 4.043 4.028 0.015 19542 3425 1 14 . 1 1 14 14 ARG CA C 14 58.962 58.962 57.317 1.645 19542 3426 1 14 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.304 0.710 19542 3427 1 14 . 1 1 14 14 ARG H H 14 8.689 8.689 7.882 0.807 19542 3428 1 14 . 1 1 15 15 ASP N N 15 121.233 121.233 118.193 3.040 19542 3429 1 14 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.627 -0.124 19542 3430 1 14 . 1 1 15 15 ASP CA C 15 54.306 54.306 55.579 -1.273 19542 3431 1 14 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.579 -2.472 19542 3432 1 14 . 1 1 15 15 ASP H H 15 8.907 8.907 7.824 1.083 19542 3433 1 14 . 1 1 16 16 MET N N 16 119.073 119.073 119.181 -0.108 19542 3434 1 14 . 1 1 16 16 MET HA H 16 4.415 4.415 4.639 -0.224 19542 3435 1 14 . 1 1 16 16 MET CA C 16 55.995 55.995 54.685 1.310 19542 3436 1 14 . 1 1 16 16 MET CB C 16 32.662 32.662 31.446 1.216 19542 3437 1 14 . 1 1 16 16 MET H H 16 7.811 7.811 7.718 0.093 19542 3438 1 14 . 1 1 17 17 LYS N N 17 120.187 120.187 124.090 -3.903 19542 3439 1 14 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.142 0.125 19542 3440 1 14 . 1 1 17 17 LYS CA C 17 55.889 55.889 56.875 -0.986 19542 3441 1 14 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.718 0.388 19542 3442 1 14 . 1 1 17 17 LYS H H 17 7.763 7.763 8.114 -0.351 19542 3443 1 14 . 1 1 18 18 PHE N N 18 115.631 115.631 116.759 -1.128 19542 3444 1 14 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.116 -0.003 19542 3445 1 14 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.302 0.669 19542 3446 1 14 . 1 1 18 18 PHE CB C 18 43.018 43.018 42.554 0.464 19542 3447 1 14 . 1 1 18 18 PHE H H 18 8.252 8.252 8.127 0.125 19542 3448 1 14 . 1 1 19 19 CYS N N 19 115.508 115.508 119.823 -4.315 19542 3449 1 14 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.274 0.728 19542 3450 1 14 . 1 1 19 19 CYS CA C 19 52.258 52.258 57.825 -5.567 19542 3451 1 14 . 1 1 19 19 CYS CB C 19 38.627 38.627 28.557 10.070 19542 3452 1 14 . 1 1 19 19 CYS H H 19 9.343 9.343 9.497 -0.154 19542 3453 1 14 . 1 1 20 20 TYR N N 20 128.934 128.934 117.409 11.525 19542 3454 1 14 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.931 0.276 19542 3455 1 14 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.986 0.715 19542 3456 1 14 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.406 1.778 19542 3457 1 14 . 1 1 20 20 TYR H H 20 8.871 8.871 9.228 -0.357 19542 3458 1 14 . 1 1 21 21 HIS N N 21 122.079 122.079 122.638 -0.559 19542 3459 1 14 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.917 0.366 19542 3460 1 14 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.206 0.507 19542 3461 1 14 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.964 -0.245 19542 3462 1 14 . 1 1 21 21 HIS H H 21 8.797 8.797 9.184 -0.387 19542 3463 1 14 . 1 1 22 22 ASN N N 22 128.444 128.444 128.013 0.431 19542 3464 1 14 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.444 0.402 19542 3465 1 14 . 1 1 22 22 ASN CA C 22 52.512 52.512 51.010 1.502 19542 3466 1 14 . 1 1 22 22 ASN CB C 22 40.821 40.821 40.624 0.197 19542 3467 1 14 . 1 1 22 22 ASN H H 22 9.823 9.823 8.945 0.878 19542 3468 1 14 . 1 1 23 23 THR N N 23 116.691 116.691 118.172 -1.481 19542 3469 1 14 . 1 1 23 23 THR HA H 23 4.604 4.604 4.168 0.436 19542 3470 1 14 . 1 1 23 23 THR CA C 23 57.003 57.003 63.747 -6.744 19542 3471 1 14 . 1 1 23 23 THR CB C 23 69.344 69.344 69.200 0.144 19542 3472 1 14 . 1 1 23 23 THR H H 23 8.561 8.561 8.115 0.446 19542 3473 1 14 . 1 1 24 24 GLY N N 24 110.763 110.763 109.590 1.173 19542 3474 1 14 . 1 1 24 24 GLY CA C 24 44.993 44.993 44.670 0.323 19542 3475 1 14 . 1 1 24 24 GLY H H 24 8.608 8.608 8.160 0.448 19542 3476 1 14 . 1 1 25 25 MET N N 25 120.520 120.520 121.060 -0.540 19542 3477 1 14 . 1 1 25 25 MET HA H 25 4.818 4.818 4.694 0.124 19542 3478 1 14 . 1 1 25 25 MET CA C 25 53.892 53.892 51.689 2.203 19542 3479 1 14 . 1 1 25 25 MET CB C 25 32.399 32.399 32.219 0.180 19542 3480 1 14 . 1 1 25 25 MET H H 25 8.418 8.418 8.314 0.104 19542 3481 1 14 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.320 0.057 19542 3482 1 14 . 1 1 26 26 PRO CA C 26 63.841 63.841 63.047 0.794 19542 3483 1 14 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.433 0.317 19542 3484 1 14 . 1 1 27 27 PHE N N 27 118.056 118.056 124.259 -6.203 19542 3485 1 14 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.775 -0.150 19542 3486 1 14 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.263 1.069 19542 3487 1 14 . 1 1 27 27 PHE CB C 27 39.701 39.701 42.720 -3.019 19542 3488 1 14 . 1 1 27 27 PHE H H 27 7.988 7.988 8.023 -0.035 19542 3489 1 14 . 1 1 28 28 ARG N N 28 121.294 121.294 124.092 -2.798 19542 3490 1 14 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.287 -0.228 19542 3491 1 14 . 1 1 28 28 ARG CA C 28 57.142 57.142 57.767 -0.625 19542 3492 1 14 . 1 1 28 28 ARG CB C 28 29.711 29.711 30.141 -0.430 19542 3493 1 14 . 1 1 28 28 ARG H H 28 8.333 8.333 8.947 -0.615 19542 3494 1 14 . 1 1 29 29 ASN N N 29 116.243 116.243 115.723 0.520 19542 3495 1 14 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.401 0.195 19542 3496 1 14 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.617 -0.822 19542 3497 1 14 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.793 0.446 19542 3498 1 14 . 1 1 29 29 ASN H H 29 8.356 8.356 8.953 -0.597 19542 3499 1 14 . 1 1 30 30 LEU N N 30 121.660 121.660 121.682 -0.022 19542 3500 1 14 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.604 -0.159 19542 3501 1 14 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.315 0.888 19542 3502 1 14 . 1 1 30 30 LEU CB C 30 42.982 42.982 42.484 0.498 19542 3503 1 14 . 1 1 30 30 LEU H H 30 8.028 8.028 7.407 0.621 19542 3504 1 14 . 1 1 31 31 LYS N N 31 120.928 120.928 126.261 -5.333 19542 3505 1 14 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.449 -0.071 19542 3506 1 14 . 1 1 31 31 LYS CA C 31 56.271 56.271 55.221 1.050 19542 3507 1 14 . 1 1 31 31 LYS CB C 31 32.230 32.230 32.960 -0.730 19542 3508 1 14 . 1 1 31 31 LYS H H 31 8.306 8.306 8.399 -0.093 19542 3509 1 14 . 1 1 32 32 LEU N N 32 122.843 122.843 127.208 -4.365 19542 3510 1 14 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.387 0.059 19542 3511 1 14 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.674 -0.190 19542 3512 1 14 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.566 0.838 19542 3513 1 14 . 1 1 32 32 LEU H H 32 8.027 8.027 8.688 -0.661 19542 3514 1 14 . 1 1 33 33 ILE N N 33 123.311 123.311 128.383 -5.072 19542 3515 1 14 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.283 0.100 19542 3516 1 14 . 1 1 33 33 ILE CA C 33 60.595 60.595 60.228 0.367 19542 3517 1 14 . 1 1 33 33 ILE CB C 33 38.303 38.303 36.306 1.997 19542 3518 1 14 . 1 1 33 33 ILE H H 33 8.327 8.327 8.255 0.072 19542 3519 1 14 . 1 1 34 34 LEU N N 34 128.669 128.669 129.834 -1.165 19542 3520 1 14 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.801 -0.007 19542 3521 1 14 . 1 1 34 34 LEU CB C 34 42.873 42.873 41.264 1.609 19542 3522 1 14 . 1 1 34 34 LEU H H 34 8.880 8.880 8.276 0.604 19542 3523 1 14 . 1 1 35 35 GLN N N 35 121.600 121.600 120.979 0.621 19542 3524 1 14 . 1 1 35 35 GLN HA H 35 4.588 4.588 5.130 -0.542 19542 3525 1 14 . 1 1 35 35 GLN CA C 35 61.390 61.390 55.086 6.304 19542 3526 1 14 . 1 1 35 35 GLN CB C 35 33.866 33.866 30.526 3.340 19542 3527 1 14 . 1 1 35 35 GLN H H 35 8.210 8.210 7.866 0.344 19542 3528 1 14 . 1 1 36 36 GLY N N 36 106.726 106.726 109.725 -2.999 19542 3529 1 14 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.899 1.979 19542 3530 1 14 . 1 1 36 36 GLY H H 36 6.121 6.121 7.246 -1.125 19542 3531 1 14 . 1 1 37 37 CYS N N 37 124.584 124.584 118.209 6.375 19542 3532 1 14 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.240 0.634 19542 3533 1 14 . 1 1 37 37 CYS CA C 37 55.955 55.955 58.181 -2.226 19542 3534 1 14 . 1 1 37 37 CYS CB C 37 48.202 48.202 30.469 17.733 19542 3535 1 14 . 1 1 37 37 CYS H H 37 8.505 8.505 8.299 0.206 19542 3536 1 14 . 1 1 38 38 SER N N 38 115.036 115.036 118.008 -2.972 19542 3537 1 14 . 1 1 38 38 SER HA H 38 4.980 4.980 5.117 -0.137 19542 3538 1 14 . 1 1 38 38 SER CA C 38 58.792 58.792 56.467 2.325 19542 3539 1 14 . 1 1 38 38 SER CB C 38 65.971 65.971 65.710 0.261 19542 3540 1 14 . 1 1 38 38 SER H H 38 9.749 9.749 9.326 0.423 19542 3541 1 14 . 1 1 39 39 SER N N 39 117.276 117.276 120.885 -3.609 19542 3542 1 14 . 1 1 39 39 SER HA H 39 4.827 4.827 4.746 0.081 19542 3543 1 14 . 1 1 39 39 SER CA C 39 60.040 60.040 60.939 -0.899 19542 3544 1 14 . 1 1 39 39 SER CB C 39 63.784 63.784 63.731 0.053 19542 3545 1 14 . 1 1 39 39 SER H H 39 9.161 9.161 8.967 0.194 19542 3546 1 14 . 1 1 40 40 SER N N 40 115.041 115.041 115.033 0.008 19542 3547 1 14 . 1 1 40 40 SER HA H 40 4.660 4.660 4.822 -0.162 19542 3548 1 14 . 1 1 40 40 SER CA C 40 55.868 55.868 56.553 -0.685 19542 3549 1 14 . 1 1 40 40 SER CB C 40 64.868 64.868 65.323 -0.455 19542 3550 1 14 . 1 1 40 40 SER H H 40 7.911 7.911 7.667 0.244 19542 3551 1 14 . 1 1 41 41 CYS N N 41 124.146 124.146 120.311 3.835 19542 3552 1 14 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.538 -0.229 19542 3553 1 14 . 1 1 41 41 CYS CA C 41 57.567 57.567 57.740 -0.173 19542 3554 1 14 . 1 1 41 41 CYS CB C 41 40.000 40.000 28.902 11.098 19542 3555 1 14 . 1 1 41 41 CYS H H 41 8.067 8.067 8.380 -0.313 19542 3556 1 14 . 1 1 42 42 SER N N 42 118.590 118.590 122.302 -3.712 19542 3557 1 14 . 1 1 42 42 SER HA H 42 4.611 4.611 4.582 0.029 19542 3558 1 14 . 1 1 42 42 SER CA C 42 59.020 59.020 57.493 1.527 19542 3559 1 14 . 1 1 42 42 SER CB C 42 64.112 64.112 63.115 0.997 19542 3560 1 14 . 1 1 42 42 SER H H 42 8.491 8.491 8.634 -0.143 19542 3561 1 14 . 1 1 43 43 GLU N N 43 118.830 118.830 126.393 -7.563 19542 3562 1 14 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.174 0.475 19542 3563 1 14 . 1 1 43 43 GLU CA C 43 56.856 56.856 57.258 -0.402 19542 3564 1 14 . 1 1 43 43 GLU CB C 43 29.206 29.206 30.193 -0.987 19542 3565 1 14 . 1 1 43 43 GLU H H 43 8.861 8.861 8.553 0.308 19542 3566 1 14 . 1 1 44 44 THR N N 44 117.954 117.954 119.294 -1.340 19542 3567 1 14 . 1 1 44 44 THR HA H 44 4.619 4.619 4.412 0.207 19542 3568 1 14 . 1 1 44 44 THR CB C 44 72.341 72.341 70.009 2.332 19542 3569 1 14 . 1 1 44 44 THR H H 44 9.030 9.030 8.149 0.881 19542 3570 1 14 . 1 1 45 45 GLU N N 45 127.100 127.100 120.770 6.330 19542 3571 1 14 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.229 -0.135 19542 3572 1 14 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.317 0.617 19542 3573 1 14 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.998 -2.990 19542 3574 1 14 . 1 1 45 45 GLU H H 45 8.837 8.837 8.724 0.113 19542 3575 1 14 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.471 0.431 19542 3576 1 14 . 1 1 46 46 ASN CA C 46 53.244 53.244 55.596 -2.352 19542 3577 1 14 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.205 0.848 19542 3578 1 14 . 1 1 46 46 ASN H H 46 8.018 8.018 7.795 0.223 19542 3579 1 14 . 1 1 47 47 ASN N N 47 120.765 120.765 118.226 2.539 19542 3580 1 14 . 1 1 47 47 ASN HA H 47 5.362 5.362 4.965 0.397 19542 3581 1 14 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.749 1.230 19542 3582 1 14 . 1 1 47 47 ASN CB C 47 41.749 41.749 38.724 3.026 19542 3583 1 14 . 1 1 47 47 ASN H H 47 7.835 7.835 7.826 0.009 19542 3584 1 14 . 1 1 48 48 LYS N N 48 123.576 123.576 126.867 -3.291 19542 3585 1 14 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.637 0.205 19542 3586 1 14 . 1 1 48 48 LYS CB C 48 34.398 34.398 33.526 0.872 19542 3587 1 14 . 1 1 48 48 LYS H H 48 8.548 8.548 8.643 -0.095 19542 3588 1 14 . 1 1 49 49 CYS N N 49 116.141 116.141 123.387 -7.246 19542 3589 1 14 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.752 -0.199 19542 3590 1 14 . 1 1 49 49 CYS CA C 49 53.386 53.386 57.836 -4.450 19542 3591 1 14 . 1 1 49 49 CYS CB C 49 44.935 44.935 27.479 17.456 19542 3592 1 14 . 1 1 49 49 CYS H H 49 8.873 8.873 8.759 0.114 19542 3593 1 14 . 1 1 50 50 CYS N N 50 118.484 118.484 122.625 -4.141 19542 3594 1 14 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.988 0.277 19542 3595 1 14 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.111 -1.128 19542 3596 1 14 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.970 15.141 19542 3597 1 14 . 1 1 50 50 CYS H H 50 9.389 9.389 9.576 -0.187 19542 3598 1 14 . 1 1 51 51 SER N N 51 115.213 115.213 115.439 -0.226 19542 3599 1 14 . 1 1 51 51 SER HA H 51 5.016 5.016 4.778 0.238 19542 3600 1 14 . 1 1 51 51 SER CA C 51 58.118 58.118 57.605 0.513 19542 3601 1 14 . 1 1 51 51 SER CB C 51 64.457 64.457 63.268 1.189 19542 3602 1 14 . 1 1 51 51 SER H H 51 9.290 9.290 8.541 0.749 19542 3603 1 14 . 1 1 52 52 THR N N 52 112.156 112.156 118.219 -6.063 19542 3604 1 14 . 1 1 52 52 THR HA H 52 4.692 4.692 4.513 0.179 19542 3605 1 14 . 1 1 52 52 THR CA C 52 59.835 59.835 60.748 -0.913 19542 3606 1 14 . 1 1 52 52 THR CB C 52 71.872 71.872 71.591 0.281 19542 3607 1 14 . 1 1 52 52 THR H H 52 7.624 7.624 7.497 0.127 19542 3608 1 14 . 1 1 53 53 ASP N N 53 119.869 119.869 122.984 -3.115 19542 3609 1 14 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.347 0.623 19542 3610 1 14 . 1 1 53 53 ASP CA C 53 55.485 55.485 56.352 -0.867 19542 3611 1 14 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.716 0.006 19542 3612 1 14 . 1 1 53 53 ASP H H 53 8.410 8.410 8.516 -0.106 19542 3613 1 14 . 1 1 54 54 ARG N N 54 111.677 111.677 117.730 -6.053 19542 3614 1 14 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.670 -0.485 19542 3615 1 14 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.593 0.369 19542 3616 1 14 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.158 1.271 19542 3617 1 14 . 1 1 54 54 ARG H H 54 9.306 9.306 8.892 0.414 19542 3618 1 14 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.494 0.067 19542 3619 1 14 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.591 -1.777 19542 3620 1 14 . 1 1 55 55 CYS CB C 55 46.236 46.236 26.808 19.427 19542 3621 1 14 . 1 1 55 55 CYS H H 55 7.995 7.995 7.986 0.009 19542 3622 1 14 . 1 1 56 56 ASN N N 56 121.881 121.881 117.940 3.941 19542 3623 1 14 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.707 0.103 19542 3624 1 14 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.992 -0.626 19542 3625 1 14 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.925 0.912 19542 3626 1 14 . 1 1 56 56 ASN H H 56 8.755 8.755 8.697 0.058 19542 3627 1 15 . 1 1 2 2 LYS N N 2 126.352 126.352 120.654 5.698 19542 3628 1 15 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.303 0.087 19542 3629 1 15 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.802 -0.400 19542 3630 1 15 . 1 1 2 2 LYS CB C 2 29.734 29.734 32.528 -2.794 19542 3631 1 15 . 1 1 2 2 LYS H H 2 8.381 8.381 8.232 0.149 19542 3632 1 15 . 1 1 3 3 CYS N N 3 117.974 117.974 121.040 -3.066 19542 3633 1 15 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.694 0.265 19542 3634 1 15 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.246 -6.974 19542 3635 1 15 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.383 9.656 19542 3636 1 15 . 1 1 3 3 CYS H H 3 8.394 8.394 8.823 -0.429 19542 3637 1 15 . 1 1 4 4 PHE N N 4 120.016 120.016 121.073 -1.057 19542 3638 1 15 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.884 -0.278 19542 3639 1 15 . 1 1 4 4 PHE CB C 4 39.719 39.719 36.818 2.901 19542 3640 1 15 . 1 1 4 4 PHE H H 4 9.550 9.550 9.377 0.173 19542 3641 1 15 . 1 1 5 5 GLN N N 5 120.517 120.517 122.005 -1.488 19542 3642 1 15 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.173 0.249 19542 3643 1 15 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.355 -1.352 19542 3644 1 15 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.412 3.183 19542 3645 1 15 . 1 1 5 5 GLN H H 5 9.406 9.406 8.049 1.357 19542 3646 1 15 . 1 1 6 6 HIS N N 6 118.478 118.478 117.315 1.163 19542 3647 1 15 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.690 -0.212 19542 3648 1 15 . 1 1 6 6 HIS CA C 6 56.627 56.627 55.645 0.982 19542 3649 1 15 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.543 -2.567 19542 3650 1 15 . 1 1 6 6 HIS H H 6 8.827 8.827 7.400 1.427 19542 3651 1 15 . 1 1 7 7 GLY N N 7 103.072 103.072 108.174 -5.102 19542 3652 1 15 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.498 0.426 19542 3653 1 15 . 1 1 7 7 GLY H H 7 8.440 8.440 8.549 -0.109 19542 3654 1 15 . 1 1 8 8 LYS N N 8 119.909 119.909 120.302 -0.393 19542 3655 1 15 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.906 -0.078 19542 3656 1 15 . 1 1 8 8 LYS CB C 8 35.493 35.493 35.075 0.418 19542 3657 1 15 . 1 1 8 8 LYS H H 8 7.703 7.703 7.973 -0.270 19542 3658 1 15 . 1 1 9 9 VAL N N 9 122.232 122.232 123.080 -0.848 19542 3659 1 15 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.452 0.360 19542 3660 1 15 . 1 1 9 9 VAL CA C 9 63.286 63.286 63.155 0.131 19542 3661 1 15 . 1 1 9 9 VAL CB C 9 26.812 26.812 29.848 -3.036 19542 3662 1 15 . 1 1 9 9 VAL H H 9 8.552 8.552 8.243 0.309 19542 3663 1 15 . 1 1 10 10 VAL N N 10 123.963 123.963 125.096 -1.133 19542 3664 1 15 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.636 -0.030 19542 3665 1 15 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.298 1.094 19542 3666 1 15 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.632 -0.850 19542 3667 1 15 . 1 1 10 10 VAL H H 10 8.920 8.920 8.557 0.363 19542 3668 1 15 . 1 1 11 11 THR N N 11 118.572 118.572 120.056 -1.484 19542 3669 1 15 . 1 1 11 11 THR HA H 11 4.443 4.443 4.601 -0.158 19542 3670 1 15 . 1 1 11 11 THR CA C 11 62.719 62.719 63.000 -0.281 19542 3671 1 15 . 1 1 11 11 THR CB C 11 68.689 68.689 68.194 0.495 19542 3672 1 15 . 1 1 11 11 THR H H 11 8.517 8.517 8.168 0.349 19542 3673 1 15 . 1 1 12 12 CYS N N 12 126.835 126.835 126.048 0.787 19542 3674 1 15 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.461 0.210 19542 3675 1 15 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.785 -5.749 19542 3676 1 15 . 1 1 12 12 CYS CB C 12 38.892 38.892 28.195 10.697 19542 3677 1 15 . 1 1 12 12 CYS H H 12 8.970 8.970 8.645 0.325 19542 3678 1 15 . 1 1 13 13 HIS N N 13 121.091 121.091 121.441 -0.350 19542 3679 1 15 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.413 0.236 19542 3680 1 15 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.213 -1.715 19542 3681 1 15 . 1 1 13 13 HIS H H 13 9.015 9.015 8.479 0.536 19542 3682 1 15 . 1 1 14 14 ARG N N 14 120.872 120.872 121.216 -0.344 19542 3683 1 15 . 1 1 14 14 ARG HA H 14 4.043 4.043 4.029 0.014 19542 3684 1 15 . 1 1 14 14 ARG CA C 14 58.962 58.962 58.369 0.593 19542 3685 1 15 . 1 1 14 14 ARG CB C 14 30.014 30.014 30.124 -0.110 19542 3686 1 15 . 1 1 14 14 ARG H H 14 8.689 8.689 8.188 0.501 19542 3687 1 15 . 1 1 15 15 ASP N N 15 121.233 121.233 118.083 3.150 19542 3688 1 15 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.623 -0.120 19542 3689 1 15 . 1 1 15 15 ASP CA C 15 54.306 54.306 55.915 -1.609 19542 3690 1 15 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.254 -2.147 19542 3691 1 15 . 1 1 15 15 ASP H H 15 8.907 8.907 7.771 1.136 19542 3692 1 15 . 1 1 16 16 MET N N 16 119.073 119.073 118.571 0.502 19542 3693 1 15 . 1 1 16 16 MET HA H 16 4.415 4.415 4.558 -0.143 19542 3694 1 15 . 1 1 16 16 MET CA C 16 55.995 55.995 54.472 1.523 19542 3695 1 15 . 1 1 16 16 MET CB C 16 32.662 32.662 31.600 1.062 19542 3696 1 15 . 1 1 16 16 MET H H 16 7.811 7.811 7.582 0.229 19542 3697 1 15 . 1 1 17 17 LYS N N 17 120.187 120.187 123.886 -3.699 19542 3698 1 15 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.121 0.146 19542 3699 1 15 . 1 1 17 17 LYS CA C 17 55.889 55.889 57.148 -1.259 19542 3700 1 15 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.429 0.677 19542 3701 1 15 . 1 1 17 17 LYS H H 17 7.763 7.763 8.051 -0.288 19542 3702 1 15 . 1 1 18 18 PHE N N 18 115.631 115.631 116.872 -1.241 19542 3703 1 15 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.201 -0.088 19542 3704 1 15 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.090 0.881 19542 3705 1 15 . 1 1 18 18 PHE CB C 18 43.018 43.018 42.923 0.095 19542 3706 1 15 . 1 1 18 18 PHE H H 18 8.252 8.252 7.999 0.253 19542 3707 1 15 . 1 1 19 19 CYS N N 19 115.508 115.508 120.288 -4.780 19542 3708 1 15 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.398 0.604 19542 3709 1 15 . 1 1 19 19 CYS CA C 19 52.258 52.258 57.753 -5.495 19542 3710 1 15 . 1 1 19 19 CYS CB C 19 38.627 38.627 28.039 10.588 19542 3711 1 15 . 1 1 19 19 CYS H H 19 9.343 9.343 9.446 -0.103 19542 3712 1 15 . 1 1 20 20 TYR N N 20 128.934 128.934 119.572 9.362 19542 3713 1 15 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.693 0.514 19542 3714 1 15 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.732 0.969 19542 3715 1 15 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.373 1.811 19542 3716 1 15 . 1 1 20 20 TYR H H 20 8.871 8.871 9.270 -0.399 19542 3717 1 15 . 1 1 21 21 HIS N N 21 122.079 122.079 122.710 -0.631 19542 3718 1 15 . 1 1 21 21 HIS HA H 21 5.283 5.283 5.268 0.015 19542 3719 1 15 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.169 0.544 19542 3720 1 15 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.818 -0.099 19542 3721 1 15 . 1 1 21 21 HIS H H 21 8.797 8.797 9.315 -0.518 19542 3722 1 15 . 1 1 22 22 ASN N N 22 128.444 128.444 128.295 0.149 19542 3723 1 15 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.251 0.595 19542 3724 1 15 . 1 1 22 22 ASN CA C 22 52.512 52.512 52.336 0.176 19542 3725 1 15 . 1 1 22 22 ASN CB C 22 40.821 40.821 40.635 0.186 19542 3726 1 15 . 1 1 22 22 ASN H H 22 9.823 9.823 9.113 0.710 19542 3727 1 15 . 1 1 23 23 THR N N 23 116.691 116.691 119.428 -2.737 19542 3728 1 15 . 1 1 23 23 THR HA H 23 4.604 4.604 4.439 0.165 19542 3729 1 15 . 1 1 23 23 THR CA C 23 57.003 57.003 61.293 -4.290 19542 3730 1 15 . 1 1 23 23 THR CB C 23 69.344 69.344 69.677 -0.333 19542 3731 1 15 . 1 1 23 23 THR H H 23 8.561 8.561 8.611 -0.050 19542 3732 1 15 . 1 1 24 24 GLY N N 24 110.763 110.763 113.005 -2.242 19542 3733 1 15 . 1 1 24 24 GLY CA C 24 44.993 44.993 43.968 1.025 19542 3734 1 15 . 1 1 24 24 GLY H H 24 8.608 8.608 8.224 0.384 19542 3735 1 15 . 1 1 25 25 MET N N 25 120.520 120.520 120.272 0.248 19542 3736 1 15 . 1 1 25 25 MET HA H 25 4.818 4.818 4.626 0.192 19542 3737 1 15 . 1 1 25 25 MET CA C 25 53.892 53.892 53.794 0.098 19542 3738 1 15 . 1 1 25 25 MET CB C 25 32.399 32.399 32.808 -0.409 19542 3739 1 15 . 1 1 25 25 MET H H 25 8.418 8.418 8.372 0.046 19542 3740 1 15 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.471 -0.094 19542 3741 1 15 . 1 1 26 26 PRO CA C 26 63.841 63.841 63.185 0.656 19542 3742 1 15 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.155 0.595 19542 3743 1 15 . 1 1 27 27 PHE N N 27 118.056 118.056 124.168 -6.112 19542 3744 1 15 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.700 -0.075 19542 3745 1 15 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.797 0.535 19542 3746 1 15 . 1 1 27 27 PHE CB C 27 39.701 39.701 41.828 -2.127 19542 3747 1 15 . 1 1 27 27 PHE H H 27 7.988 7.988 8.155 -0.167 19542 3748 1 15 . 1 1 28 28 ARG N N 28 121.294 121.294 121.047 0.247 19542 3749 1 15 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.505 -0.446 19542 3750 1 15 . 1 1 28 28 ARG CA C 28 57.142 57.142 56.058 1.084 19542 3751 1 15 . 1 1 28 28 ARG CB C 28 29.711 29.711 30.902 -1.191 19542 3752 1 15 . 1 1 28 28 ARG H H 28 8.333 8.333 8.823 -0.490 19542 3753 1 15 . 1 1 29 29 ASN N N 29 116.243 116.243 115.099 1.144 19542 3754 1 15 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.396 0.200 19542 3755 1 15 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.554 -0.759 19542 3756 1 15 . 1 1 29 29 ASN CB C 29 38.239 38.239 38.069 0.170 19542 3757 1 15 . 1 1 29 29 ASN H H 29 8.356 8.356 8.905 -0.549 19542 3758 1 15 . 1 1 30 30 LEU N N 30 121.660 121.660 119.498 2.162 19542 3759 1 15 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.547 -0.102 19542 3760 1 15 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.999 0.204 19542 3761 1 15 . 1 1 30 30 LEU CB C 30 42.982 42.982 43.367 -0.385 19542 3762 1 15 . 1 1 30 30 LEU H H 30 8.028 8.028 7.599 0.429 19542 3763 1 15 . 1 1 31 31 LYS N N 31 120.928 120.928 125.237 -4.309 19542 3764 1 15 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.398 -0.020 19542 3765 1 15 . 1 1 31 31 LYS CA C 31 56.271 56.271 55.154 1.117 19542 3766 1 15 . 1 1 31 31 LYS CB C 31 32.230 32.230 31.127 1.103 19542 3767 1 15 . 1 1 31 31 LYS H H 31 8.306 8.306 8.155 0.151 19542 3768 1 15 . 1 1 32 32 LEU N N 32 122.843 122.843 122.609 0.234 19542 3769 1 15 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.427 0.019 19542 3770 1 15 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.701 -0.217 19542 3771 1 15 . 1 1 32 32 LEU CB C 32 43.404 43.404 41.299 2.105 19542 3772 1 15 . 1 1 32 32 LEU H H 32 8.027 8.027 7.893 0.134 19542 3773 1 15 . 1 1 33 33 ILE N N 33 123.311 123.311 125.092 -1.781 19542 3774 1 15 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.397 -0.014 19542 3775 1 15 . 1 1 33 33 ILE CA C 33 60.595 60.595 60.367 0.228 19542 3776 1 15 . 1 1 33 33 ILE CB C 33 38.303 38.303 39.705 -1.402 19542 3777 1 15 . 1 1 33 33 ILE H H 33 8.327 8.327 8.064 0.263 19542 3778 1 15 . 1 1 34 34 LEU N N 34 128.669 128.669 131.176 -2.507 19542 3779 1 15 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.706 0.088 19542 3780 1 15 . 1 1 34 34 LEU CB C 34 42.873 42.873 41.093 1.780 19542 3781 1 15 . 1 1 34 34 LEU H H 34 8.880 8.880 9.012 -0.132 19542 3782 1 15 . 1 1 35 35 GLN N N 35 121.600 121.600 121.943 -0.343 19542 3783 1 15 . 1 1 35 35 GLN HA H 35 4.588 4.588 5.091 -0.503 19542 3784 1 15 . 1 1 35 35 GLN CA C 35 61.390 61.390 54.449 6.941 19542 3785 1 15 . 1 1 35 35 GLN CB C 35 33.866 33.866 32.463 1.403 19542 3786 1 15 . 1 1 35 35 GLN H H 35 8.210 8.210 8.410 -0.200 19542 3787 1 15 . 1 1 36 36 GLY N N 36 106.726 106.726 109.265 -2.539 19542 3788 1 15 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.464 2.414 19542 3789 1 15 . 1 1 36 36 GLY H H 36 6.121 6.121 6.875 -0.754 19542 3790 1 15 . 1 1 37 37 CYS N N 37 124.584 124.584 118.678 5.906 19542 3791 1 15 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.410 0.464 19542 3792 1 15 . 1 1 37 37 CYS CA C 37 55.955 55.955 58.104 -2.149 19542 3793 1 15 . 1 1 37 37 CYS CB C 37 48.202 48.202 29.263 18.939 19542 3794 1 15 . 1 1 37 37 CYS H H 37 8.505 8.505 8.457 0.048 19542 3795 1 15 . 1 1 38 38 SER N N 38 115.036 115.036 118.302 -3.266 19542 3796 1 15 . 1 1 38 38 SER HA H 38 4.980 4.980 4.980 -0.000 19542 3797 1 15 . 1 1 38 38 SER CA C 38 58.792 58.792 57.015 1.777 19542 3798 1 15 . 1 1 38 38 SER CB C 38 65.971 65.971 66.527 -0.556 19542 3799 1 15 . 1 1 38 38 SER H H 38 9.749 9.749 9.164 0.585 19542 3800 1 15 . 1 1 39 39 SER N N 39 117.276 117.276 118.744 -1.468 19542 3801 1 15 . 1 1 39 39 SER HA H 39 4.827 4.827 4.975 -0.148 19542 3802 1 15 . 1 1 39 39 SER CA C 39 60.040 60.040 59.706 0.334 19542 3803 1 15 . 1 1 39 39 SER CB C 39 63.784 63.784 63.756 0.028 19542 3804 1 15 . 1 1 39 39 SER H H 39 9.161 9.161 8.862 0.299 19542 3805 1 15 . 1 1 40 40 SER N N 40 115.041 115.041 115.597 -0.556 19542 3806 1 15 . 1 1 40 40 SER HA H 40 4.660 4.660 4.737 -0.077 19542 3807 1 15 . 1 1 40 40 SER CA C 40 55.868 55.868 58.435 -2.567 19542 3808 1 15 . 1 1 40 40 SER CB C 40 64.868 64.868 65.817 -0.949 19542 3809 1 15 . 1 1 40 40 SER H H 40 7.911 7.911 7.978 -0.067 19542 3810 1 15 . 1 1 41 41 CYS N N 41 124.146 124.146 120.089 4.057 19542 3811 1 15 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.539 -0.230 19542 3812 1 15 . 1 1 41 41 CYS CA C 41 57.567 57.567 58.706 -1.139 19542 3813 1 15 . 1 1 41 41 CYS CB C 41 40.000 40.000 29.588 10.412 19542 3814 1 15 . 1 1 41 41 CYS H H 41 8.067 8.067 8.616 -0.549 19542 3815 1 15 . 1 1 42 42 SER N N 42 118.590 118.590 120.502 -1.912 19542 3816 1 15 . 1 1 42 42 SER HA H 42 4.611 4.611 4.605 0.006 19542 3817 1 15 . 1 1 42 42 SER CA C 42 59.020 59.020 57.104 1.916 19542 3818 1 15 . 1 1 42 42 SER CB C 42 64.112 64.112 63.804 0.308 19542 3819 1 15 . 1 1 42 42 SER H H 42 8.491 8.491 8.600 -0.109 19542 3820 1 15 . 1 1 43 43 GLU N N 43 118.830 118.830 127.917 -9.087 19542 3821 1 15 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.606 0.043 19542 3822 1 15 . 1 1 43 43 GLU CA C 43 56.856 56.856 57.575 -0.719 19542 3823 1 15 . 1 1 43 43 GLU CB C 43 29.206 29.206 28.945 0.261 19542 3824 1 15 . 1 1 43 43 GLU H H 43 8.861 8.861 8.657 0.204 19542 3825 1 15 . 1 1 44 44 THR N N 44 117.954 117.954 118.223 -0.269 19542 3826 1 15 . 1 1 44 44 THR HA H 44 4.619 4.619 4.627 -0.008 19542 3827 1 15 . 1 1 44 44 THR CB C 44 72.341 72.341 70.930 1.411 19542 3828 1 15 . 1 1 44 44 THR H H 44 9.030 9.030 8.542 0.488 19542 3829 1 15 . 1 1 45 45 GLU N N 45 127.100 127.100 119.241 7.859 19542 3830 1 15 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.164 -0.070 19542 3831 1 15 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.590 0.344 19542 3832 1 15 . 1 1 45 45 GLU CB C 45 27.009 27.009 30.025 -3.016 19542 3833 1 15 . 1 1 45 45 GLU H H 45 8.837 8.837 8.678 0.159 19542 3834 1 15 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.473 0.429 19542 3835 1 15 . 1 1 46 46 ASN CA C 46 53.244 53.244 55.641 -2.397 19542 3836 1 15 . 1 1 46 46 ASN CB C 46 40.053 40.053 38.829 1.224 19542 3837 1 15 . 1 1 46 46 ASN H H 46 8.018 8.018 8.125 -0.107 19542 3838 1 15 . 1 1 47 47 ASN N N 47 120.765 120.765 118.735 2.030 19542 3839 1 15 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.119 0.243 19542 3840 1 15 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.420 1.559 19542 3841 1 15 . 1 1 47 47 ASN CB C 47 41.749 41.749 40.157 1.592 19542 3842 1 15 . 1 1 47 47 ASN H H 47 7.835 7.835 8.263 -0.428 19542 3843 1 15 . 1 1 48 48 LYS N N 48 123.576 123.576 127.575 -3.999 19542 3844 1 15 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.869 -0.027 19542 3845 1 15 . 1 1 48 48 LYS CB C 48 34.398 34.398 34.404 -0.006 19542 3846 1 15 . 1 1 48 48 LYS H H 48 8.548 8.548 8.711 -0.163 19542 3847 1 15 . 1 1 49 49 CYS N N 49 116.141 116.141 122.503 -6.362 19542 3848 1 15 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.671 -0.118 19542 3849 1 15 . 1 1 49 49 CYS CA C 49 53.386 53.386 58.011 -4.625 19542 3850 1 15 . 1 1 49 49 CYS CB C 49 44.935 44.935 29.180 15.755 19542 3851 1 15 . 1 1 49 49 CYS H H 49 8.873 8.873 8.730 0.143 19542 3852 1 15 . 1 1 50 50 CYS N N 50 118.484 118.484 120.780 -2.296 19542 3853 1 15 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.970 0.295 19542 3854 1 15 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.315 -1.332 19542 3855 1 15 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.827 15.284 19542 3856 1 15 . 1 1 50 50 CYS H H 50 9.389 9.389 9.582 -0.193 19542 3857 1 15 . 1 1 51 51 SER N N 51 115.213 115.213 119.325 -4.112 19542 3858 1 15 . 1 1 51 51 SER HA H 51 5.016 5.016 4.770 0.246 19542 3859 1 15 . 1 1 51 51 SER CA C 51 58.118 58.118 58.412 -0.294 19542 3860 1 15 . 1 1 51 51 SER CB C 51 64.457 64.457 62.144 2.313 19542 3861 1 15 . 1 1 51 51 SER H H 51 9.290 9.290 8.806 0.484 19542 3862 1 15 . 1 1 52 52 THR N N 52 112.156 112.156 117.853 -5.697 19542 3863 1 15 . 1 1 52 52 THR HA H 52 4.692 4.692 4.518 0.174 19542 3864 1 15 . 1 1 52 52 THR CA C 52 59.835 59.835 60.856 -1.021 19542 3865 1 15 . 1 1 52 52 THR CB C 52 71.872 71.872 71.781 0.091 19542 3866 1 15 . 1 1 52 52 THR H H 52 7.624 7.624 7.682 -0.058 19542 3867 1 15 . 1 1 53 53 ASP N N 53 119.869 119.869 123.469 -3.600 19542 3868 1 15 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.533 0.437 19542 3869 1 15 . 1 1 53 53 ASP CA C 53 55.485 55.485 55.953 -0.468 19542 3870 1 15 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.671 0.051 19542 3871 1 15 . 1 1 53 53 ASP H H 53 8.410 8.410 8.682 -0.272 19542 3872 1 15 . 1 1 54 54 ARG N N 54 111.677 111.677 119.268 -7.591 19542 3873 1 15 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.898 -0.713 19542 3874 1 15 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.559 0.403 19542 3875 1 15 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.339 1.090 19542 3876 1 15 . 1 1 54 54 ARG H H 54 9.306 9.306 8.890 0.416 19542 3877 1 15 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.439 0.122 19542 3878 1 15 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.161 -1.347 19542 3879 1 15 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.858 18.378 19542 3880 1 15 . 1 1 55 55 CYS H H 55 7.995 7.995 7.873 0.122 19542 3881 1 15 . 1 1 56 56 ASN N N 56 121.881 121.881 120.510 1.371 19542 3882 1 15 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.637 0.173 19542 3883 1 15 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.535 -0.169 19542 3884 1 15 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.430 1.407 19542 3885 1 15 . 1 1 56 56 ASN H H 56 8.755 8.755 8.622 0.133 19542 3886 1 16 . 1 1 2 2 LYS N N 2 126.352 126.352 121.087 5.265 19542 3887 1 16 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.319 0.071 19542 3888 1 16 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.489 -0.087 19542 3889 1 16 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.122 -3.388 19542 3890 1 16 . 1 1 2 2 LYS H H 2 8.381 8.381 9.422 -1.041 19542 3891 1 16 . 1 1 3 3 CYS N N 3 117.974 117.974 120.771 -2.797 19542 3892 1 16 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.581 0.378 19542 3893 1 16 . 1 1 3 3 CYS CA C 3 51.272 51.272 57.590 -6.317 19542 3894 1 16 . 1 1 3 3 CYS CB C 3 42.039 42.039 31.335 10.704 19542 3895 1 16 . 1 1 3 3 CYS H H 3 8.394 8.394 8.531 -0.137 19542 3896 1 16 . 1 1 4 4 PHE N N 4 120.016 120.016 120.700 -0.684 19542 3897 1 16 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.817 -0.211 19542 3898 1 16 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.431 2.288 19542 3899 1 16 . 1 1 4 4 PHE H H 4 9.550 9.550 9.159 0.391 19542 3900 1 16 . 1 1 5 5 GLN N N 5 120.517 120.517 123.742 -3.225 19542 3901 1 16 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.241 0.181 19542 3902 1 16 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.626 -1.623 19542 3903 1 16 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.805 2.789 19542 3904 1 16 . 1 1 5 5 GLN H H 5 9.406 9.406 7.894 1.512 19542 3905 1 16 . 1 1 6 6 HIS N N 6 118.478 118.478 116.473 2.005 19542 3906 1 16 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.785 -0.307 19542 3907 1 16 . 1 1 6 6 HIS CA C 6 56.627 56.627 56.086 0.541 19542 3908 1 16 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.713 -2.737 19542 3909 1 16 . 1 1 6 6 HIS H H 6 8.827 8.827 7.319 1.508 19542 3910 1 16 . 1 1 7 7 GLY N N 7 103.072 103.072 107.529 -4.457 19542 3911 1 16 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.333 0.591 19542 3912 1 16 . 1 1 7 7 GLY H H 7 8.440 8.440 8.493 -0.053 19542 3913 1 16 . 1 1 8 8 LYS N N 8 119.909 119.909 120.109 -0.200 19542 3914 1 16 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.855 -0.027 19542 3915 1 16 . 1 1 8 8 LYS CB C 8 35.493 35.493 34.915 0.578 19542 3916 1 16 . 1 1 8 8 LYS H H 8 7.703 7.703 7.962 -0.259 19542 3917 1 16 . 1 1 9 9 VAL N N 9 122.232 122.232 123.454 -1.222 19542 3918 1 16 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.787 0.025 19542 3919 1 16 . 1 1 9 9 VAL CA C 9 63.286 63.286 62.839 0.447 19542 3920 1 16 . 1 1 9 9 VAL CB C 9 26.812 26.812 31.436 -4.624 19542 3921 1 16 . 1 1 9 9 VAL H H 9 8.552 8.552 8.540 0.012 19542 3922 1 16 . 1 1 10 10 VAL N N 10 123.963 123.963 123.915 0.048 19542 3923 1 16 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.687 -0.081 19542 3924 1 16 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.375 1.017 19542 3925 1 16 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.673 -0.891 19542 3926 1 16 . 1 1 10 10 VAL H H 10 8.920 8.920 8.603 0.317 19542 3927 1 16 . 1 1 11 11 THR N N 11 118.572 118.572 120.036 -1.464 19542 3928 1 16 . 1 1 11 11 THR HA H 11 4.443 4.443 4.521 -0.078 19542 3929 1 16 . 1 1 11 11 THR CA C 11 62.719 62.719 62.936 -0.217 19542 3930 1 16 . 1 1 11 11 THR CB C 11 68.689 68.689 68.578 0.111 19542 3931 1 16 . 1 1 11 11 THR H H 11 8.517 8.517 8.166 0.351 19542 3932 1 16 . 1 1 12 12 CYS N N 12 126.835 126.835 126.334 0.501 19542 3933 1 16 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.418 0.253 19542 3934 1 16 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.290 -5.254 19542 3935 1 16 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.768 11.124 19542 3936 1 16 . 1 1 12 12 CYS H H 12 8.970 8.970 8.681 0.289 19542 3937 1 16 . 1 1 13 13 HIS N N 13 121.091 121.091 120.618 0.473 19542 3938 1 16 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.446 0.203 19542 3939 1 16 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.544 -2.046 19542 3940 1 16 . 1 1 13 13 HIS H H 13 9.015 9.015 8.552 0.463 19542 3941 1 16 . 1 1 14 14 ARG N N 14 120.872 120.872 120.161 0.711 19542 3942 1 16 . 1 1 14 14 ARG HA H 14 4.043 4.043 4.015 0.028 19542 3943 1 16 . 1 1 14 14 ARG CA C 14 58.962 58.962 57.968 0.995 19542 3944 1 16 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.686 0.328 19542 3945 1 16 . 1 1 14 14 ARG H H 14 8.689 8.689 8.125 0.564 19542 3946 1 16 . 1 1 15 15 ASP N N 15 121.233 121.233 116.623 4.610 19542 3947 1 16 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.683 -0.180 19542 3948 1 16 . 1 1 15 15 ASP CA C 15 54.306 54.306 54.758 -0.452 19542 3949 1 16 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.506 -2.399 19542 3950 1 16 . 1 1 15 15 ASP H H 15 8.907 8.907 7.794 1.113 19542 3951 1 16 . 1 1 16 16 MET N N 16 119.073 119.073 119.896 -0.823 19542 3952 1 16 . 1 1 16 16 MET HA H 16 4.415 4.415 4.530 -0.115 19542 3953 1 16 . 1 1 16 16 MET CA C 16 55.995 55.995 54.959 1.036 19542 3954 1 16 . 1 1 16 16 MET CB C 16 32.662 32.662 31.372 1.290 19542 3955 1 16 . 1 1 16 16 MET H H 16 7.811 7.811 7.594 0.217 19542 3956 1 16 . 1 1 17 17 LYS N N 17 120.187 120.187 121.868 -1.681 19542 3957 1 16 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.135 0.132 19542 3958 1 16 . 1 1 17 17 LYS CA C 17 55.889 55.889 57.584 -1.696 19542 3959 1 16 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.312 0.794 19542 3960 1 16 . 1 1 17 17 LYS H H 17 7.763 7.763 8.213 -0.450 19542 3961 1 16 . 1 1 18 18 PHE N N 18 115.631 115.631 116.936 -1.305 19542 3962 1 16 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.092 0.021 19542 3963 1 16 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.422 0.549 19542 3964 1 16 . 1 1 18 18 PHE CB C 18 43.018 43.018 43.265 -0.247 19542 3965 1 16 . 1 1 18 18 PHE H H 18 8.252 8.252 8.382 -0.130 19542 3966 1 16 . 1 1 19 19 CYS N N 19 115.508 115.508 120.307 -4.799 19542 3967 1 16 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.146 0.856 19542 3968 1 16 . 1 1 19 19 CYS CA C 19 52.258 52.258 58.198 -5.940 19542 3969 1 16 . 1 1 19 19 CYS CB C 19 38.627 38.627 26.930 11.697 19542 3970 1 16 . 1 1 19 19 CYS H H 19 9.343 9.343 9.342 0.001 19542 3971 1 16 . 1 1 20 20 TYR N N 20 128.934 128.934 120.143 8.791 19542 3972 1 16 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.679 0.528 19542 3973 1 16 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.872 0.829 19542 3974 1 16 . 1 1 20 20 TYR CB C 20 43.184 43.184 40.879 2.305 19542 3975 1 16 . 1 1 20 20 TYR H H 20 8.871 8.871 9.106 -0.235 19542 3976 1 16 . 1 1 21 21 HIS N N 21 122.079 122.079 124.069 -1.990 19542 3977 1 16 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.867 0.416 19542 3978 1 16 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.307 0.406 19542 3979 1 16 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.905 -0.187 19542 3980 1 16 . 1 1 21 21 HIS H H 21 8.797 8.797 9.262 -0.465 19542 3981 1 16 . 1 1 22 22 ASN N N 22 128.444 128.444 128.784 -0.340 19542 3982 1 16 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.382 0.464 19542 3983 1 16 . 1 1 22 22 ASN CA C 22 52.512 52.512 52.070 0.442 19542 3984 1 16 . 1 1 22 22 ASN CB C 22 40.821 40.821 40.281 0.540 19542 3985 1 16 . 1 1 22 22 ASN H H 22 9.823 9.823 9.194 0.629 19542 3986 1 16 . 1 1 23 23 THR N N 23 116.691 116.691 117.053 -0.362 19542 3987 1 16 . 1 1 23 23 THR HA H 23 4.604 4.604 4.398 0.206 19542 3988 1 16 . 1 1 23 23 THR CA C 23 57.003 57.003 61.541 -4.538 19542 3989 1 16 . 1 1 23 23 THR CB C 23 69.344 69.344 69.910 -0.566 19542 3990 1 16 . 1 1 23 23 THR H H 23 8.561 8.561 8.607 -0.046 19542 3991 1 16 . 1 1 24 24 GLY N N 24 110.763 110.763 107.621 3.142 19542 3992 1 16 . 1 1 24 24 GLY CA C 24 44.993 44.993 44.422 0.571 19542 3993 1 16 . 1 1 24 24 GLY H H 24 8.608 8.608 8.240 0.368 19542 3994 1 16 . 1 1 25 25 MET N N 25 120.520 120.520 119.267 1.253 19542 3995 1 16 . 1 1 25 25 MET HA H 25 4.818 4.818 4.513 0.305 19542 3996 1 16 . 1 1 25 25 MET CA C 25 53.892 53.892 52.630 1.262 19542 3997 1 16 . 1 1 25 25 MET CB C 25 32.399 32.399 32.742 -0.344 19542 3998 1 16 . 1 1 25 25 MET H H 25 8.418 8.418 8.175 0.243 19542 3999 1 16 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.248 0.129 19542 4000 1 16 . 1 1 26 26 PRO CA C 26 63.841 63.841 62.636 1.205 19542 4001 1 16 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.349 0.401 19542 4002 1 16 . 1 1 27 27 PHE N N 27 118.056 118.056 124.103 -6.047 19542 4003 1 16 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.783 -0.158 19542 4004 1 16 . 1 1 27 27 PHE CA C 27 57.332 57.332 55.765 1.567 19542 4005 1 16 . 1 1 27 27 PHE CB C 27 39.701 39.701 41.775 -2.074 19542 4006 1 16 . 1 1 27 27 PHE H H 27 7.988 7.988 8.643 -0.655 19542 4007 1 16 . 1 1 28 28 ARG N N 28 121.294 121.294 124.841 -3.547 19542 4008 1 16 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.050 0.009 19542 4009 1 16 . 1 1 28 28 ARG CA C 28 57.142 57.142 58.149 -1.007 19542 4010 1 16 . 1 1 28 28 ARG CB C 28 29.711 29.711 29.631 0.080 19542 4011 1 16 . 1 1 28 28 ARG H H 28 8.333 8.333 9.053 -0.720 19542 4012 1 16 . 1 1 29 29 ASN N N 29 116.243 116.243 115.775 0.468 19542 4013 1 16 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.396 0.200 19542 4014 1 16 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.222 -0.427 19542 4015 1 16 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.804 0.435 19542 4016 1 16 . 1 1 29 29 ASN H H 29 8.356 8.356 8.864 -0.508 19542 4017 1 16 . 1 1 30 30 LEU N N 30 121.660 121.660 120.327 1.333 19542 4018 1 16 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.668 -0.223 19542 4019 1 16 . 1 1 30 30 LEU CA C 30 55.203 55.203 55.049 0.154 19542 4020 1 16 . 1 1 30 30 LEU CB C 30 42.982 42.982 43.560 -0.578 19542 4021 1 16 . 1 1 30 30 LEU H H 30 8.028 8.028 8.167 -0.139 19542 4022 1 16 . 1 1 31 31 LYS N N 31 120.928 120.928 126.982 -6.054 19542 4023 1 16 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.465 -0.087 19542 4024 1 16 . 1 1 31 31 LYS CA C 31 56.271 56.271 54.462 1.808 19542 4025 1 16 . 1 1 31 31 LYS CB C 31 32.230 32.230 32.486 -0.256 19542 4026 1 16 . 1 1 31 31 LYS H H 31 8.306 8.306 8.330 -0.024 19542 4027 1 16 . 1 1 32 32 LEU N N 32 122.843 122.843 127.870 -5.027 19542 4028 1 16 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.455 -0.009 19542 4029 1 16 . 1 1 32 32 LEU CA C 32 54.484 54.484 55.003 -0.519 19542 4030 1 16 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.581 0.823 19542 4031 1 16 . 1 1 32 32 LEU H H 32 8.027 8.027 8.624 -0.597 19542 4032 1 16 . 1 1 33 33 ILE N N 33 123.311 123.311 128.236 -4.925 19542 4033 1 16 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.395 -0.012 19542 4034 1 16 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.853 0.742 19542 4035 1 16 . 1 1 33 33 ILE CB C 33 38.303 38.303 37.430 0.873 19542 4036 1 16 . 1 1 33 33 ILE H H 33 8.327 8.327 7.989 0.338 19542 4037 1 16 . 1 1 34 34 LEU N N 34 128.669 128.669 128.795 -0.126 19542 4038 1 16 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.728 0.066 19542 4039 1 16 . 1 1 34 34 LEU CB C 34 42.873 42.873 41.907 0.966 19542 4040 1 16 . 1 1 34 34 LEU H H 34 8.880 8.880 8.354 0.526 19542 4041 1 16 . 1 1 35 35 GLN N N 35 121.600 121.600 120.615 0.985 19542 4042 1 16 . 1 1 35 35 GLN HA H 35 4.588 4.588 4.973 -0.385 19542 4043 1 16 . 1 1 35 35 GLN CA C 35 61.390 61.390 54.698 6.692 19542 4044 1 16 . 1 1 35 35 GLN CB C 35 33.866 33.866 30.406 3.460 19542 4045 1 16 . 1 1 35 35 GLN H H 35 8.210 8.210 8.493 -0.283 19542 4046 1 16 . 1 1 36 36 GLY N N 36 106.726 106.726 109.913 -3.187 19542 4047 1 16 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.181 2.697 19542 4048 1 16 . 1 1 36 36 GLY H H 36 6.121 6.121 7.640 -1.519 19542 4049 1 16 . 1 1 37 37 CYS N N 37 124.584 124.584 118.600 5.984 19542 4050 1 16 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.294 0.580 19542 4051 1 16 . 1 1 37 37 CYS CA C 37 55.955 55.955 57.900 -1.945 19542 4052 1 16 . 1 1 37 37 CYS CB C 37 48.202 48.202 29.487 18.715 19542 4053 1 16 . 1 1 37 37 CYS H H 37 8.505 8.505 8.593 -0.088 19542 4054 1 16 . 1 1 38 38 SER N N 38 115.036 115.036 118.165 -3.129 19542 4055 1 16 . 1 1 38 38 SER HA H 38 4.980 4.980 4.972 0.008 19542 4056 1 16 . 1 1 38 38 SER CA C 38 58.792 58.792 57.204 1.588 19542 4057 1 16 . 1 1 38 38 SER CB C 38 65.971 65.971 66.753 -0.782 19542 4058 1 16 . 1 1 38 38 SER H H 38 9.749 9.749 9.238 0.511 19542 4059 1 16 . 1 1 39 39 SER N N 39 117.276 117.276 120.404 -3.128 19542 4060 1 16 . 1 1 39 39 SER HA H 39 4.827 4.827 4.893 -0.066 19542 4061 1 16 . 1 1 39 39 SER CA C 39 60.040 60.040 59.335 0.705 19542 4062 1 16 . 1 1 39 39 SER CB C 39 63.784 63.784 63.701 0.083 19542 4063 1 16 . 1 1 39 39 SER H H 39 9.161 9.161 8.856 0.305 19542 4064 1 16 . 1 1 40 40 SER N N 40 115.041 115.041 115.111 -0.070 19542 4065 1 16 . 1 1 40 40 SER HA H 40 4.660 4.660 4.827 -0.167 19542 4066 1 16 . 1 1 40 40 SER CA C 40 55.868 55.868 56.837 -0.969 19542 4067 1 16 . 1 1 40 40 SER CB C 40 64.868 64.868 66.030 -1.162 19542 4068 1 16 . 1 1 40 40 SER H H 40 7.911 7.911 7.780 0.131 19542 4069 1 16 . 1 1 41 41 CYS N N 41 124.146 124.146 121.685 2.461 19542 4070 1 16 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.560 -0.251 19542 4071 1 16 . 1 1 41 41 CYS CA C 41 57.567 57.567 58.767 -1.200 19542 4072 1 16 . 1 1 41 41 CYS CB C 41 40.000 40.000 29.085 10.915 19542 4073 1 16 . 1 1 41 41 CYS H H 41 8.067 8.067 8.473 -0.406 19542 4074 1 16 . 1 1 42 42 SER N N 42 118.590 118.590 122.407 -3.817 19542 4075 1 16 . 1 1 42 42 SER HA H 42 4.611 4.611 4.457 0.154 19542 4076 1 16 . 1 1 42 42 SER CA C 42 59.020 59.020 57.182 1.838 19542 4077 1 16 . 1 1 42 42 SER CB C 42 64.112 64.112 63.404 0.708 19542 4078 1 16 . 1 1 42 42 SER H H 42 8.491 8.491 8.540 -0.049 19542 4079 1 16 . 1 1 43 43 GLU N N 43 118.830 118.830 127.678 -8.848 19542 4080 1 16 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.168 0.481 19542 4081 1 16 . 1 1 43 43 GLU CA C 43 56.856 56.856 57.072 -0.216 19542 4082 1 16 . 1 1 43 43 GLU CB C 43 29.206 29.206 29.184 0.022 19542 4083 1 16 . 1 1 43 43 GLU H H 43 8.861 8.861 8.669 0.192 19542 4084 1 16 . 1 1 44 44 THR N N 44 117.954 117.954 118.033 -0.079 19542 4085 1 16 . 1 1 44 44 THR HA H 44 4.619 4.619 4.628 -0.009 19542 4086 1 16 . 1 1 44 44 THR CB C 44 72.341 72.341 70.775 1.566 19542 4087 1 16 . 1 1 44 44 THR H H 44 9.030 9.030 7.859 1.171 19542 4088 1 16 . 1 1 45 45 GLU N N 45 127.100 127.100 118.041 9.059 19542 4089 1 16 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.210 -0.116 19542 4090 1 16 . 1 1 45 45 GLU CA C 45 58.934 58.934 57.495 1.439 19542 4091 1 16 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.721 -2.712 19542 4092 1 16 . 1 1 45 45 GLU H H 45 8.837 8.837 8.610 0.227 19542 4093 1 16 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.523 0.379 19542 4094 1 16 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.600 -1.356 19542 4095 1 16 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.250 0.803 19542 4096 1 16 . 1 1 46 46 ASN H H 46 8.018 8.018 7.992 0.026 19542 4097 1 16 . 1 1 47 47 ASN N N 47 120.765 120.765 119.679 1.086 19542 4098 1 16 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.429 -0.067 19542 4099 1 16 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.322 1.657 19542 4100 1 16 . 1 1 47 47 ASN CB C 47 41.749 41.749 40.329 1.420 19542 4101 1 16 . 1 1 47 47 ASN H H 47 7.835 7.835 7.945 -0.110 19542 4102 1 16 . 1 1 48 48 LYS N N 48 123.576 123.576 125.939 -2.363 19542 4103 1 16 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.667 0.175 19542 4104 1 16 . 1 1 48 48 LYS CB C 48 34.398 34.398 35.009 -0.611 19542 4105 1 16 . 1 1 48 48 LYS H H 48 8.548 8.548 8.802 -0.254 19542 4106 1 16 . 1 1 49 49 CYS N N 49 116.141 116.141 116.383 -0.242 19542 4107 1 16 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.975 -0.422 19542 4108 1 16 . 1 1 49 49 CYS CA C 49 53.386 53.386 56.127 -2.741 19542 4109 1 16 . 1 1 49 49 CYS CB C 49 44.935 44.935 28.512 16.423 19542 4110 1 16 . 1 1 49 49 CYS H H 49 8.873 8.873 8.406 0.467 19542 4111 1 16 . 1 1 50 50 CYS N N 50 118.484 118.484 121.567 -3.083 19542 4112 1 16 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.951 0.314 19542 4113 1 16 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.319 -1.336 19542 4114 1 16 . 1 1 50 50 CYS CB C 50 46.111 46.111 31.031 15.080 19542 4115 1 16 . 1 1 50 50 CYS H H 50 9.389 9.389 9.159 0.230 19542 4116 1 16 . 1 1 51 51 SER N N 51 115.213 115.213 117.162 -1.949 19542 4117 1 16 . 1 1 51 51 SER HA H 51 5.016 5.016 4.774 0.242 19542 4118 1 16 . 1 1 51 51 SER CA C 51 58.118 58.118 58.768 -0.650 19542 4119 1 16 . 1 1 51 51 SER CB C 51 64.457 64.457 63.078 1.379 19542 4120 1 16 . 1 1 51 51 SER H H 51 9.290 9.290 8.740 0.550 19542 4121 1 16 . 1 1 52 52 THR N N 52 112.156 112.156 117.771 -5.615 19542 4122 1 16 . 1 1 52 52 THR HA H 52 4.692 4.692 4.438 0.254 19542 4123 1 16 . 1 1 52 52 THR CA C 52 59.835 59.835 61.409 -1.574 19542 4124 1 16 . 1 1 52 52 THR CB C 52 71.872 71.872 70.815 1.057 19542 4125 1 16 . 1 1 52 52 THR H H 52 7.624 7.624 7.443 0.181 19542 4126 1 16 . 1 1 53 53 ASP N N 53 119.869 119.869 124.283 -4.414 19542 4127 1 16 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.466 0.504 19542 4128 1 16 . 1 1 53 53 ASP CA C 53 55.485 55.485 56.079 -0.594 19542 4129 1 16 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.788 -0.066 19542 4130 1 16 . 1 1 53 53 ASP H H 53 8.410 8.410 8.637 -0.227 19542 4131 1 16 . 1 1 54 54 ARG N N 54 111.677 111.677 117.105 -5.428 19542 4132 1 16 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.504 -0.319 19542 4133 1 16 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.270 0.692 19542 4134 1 16 . 1 1 54 54 ARG CB C 54 28.429 28.429 26.866 1.563 19542 4135 1 16 . 1 1 54 54 ARG H H 54 9.306 9.306 8.551 0.755 19542 4136 1 16 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.656 -0.095 19542 4137 1 16 . 1 1 55 55 CYS CA C 55 57.814 57.814 58.893 -1.079 19542 4138 1 16 . 1 1 55 55 CYS CB C 55 46.236 46.236 26.811 19.425 19542 4139 1 16 . 1 1 55 55 CYS H H 55 7.995 7.995 7.997 -0.002 19542 4140 1 16 . 1 1 56 56 ASN N N 56 121.881 121.881 119.962 1.919 19542 4141 1 16 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.694 0.116 19542 4142 1 16 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.632 -0.266 19542 4143 1 16 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.501 1.336 19542 4144 1 16 . 1 1 56 56 ASN H H 56 8.755 8.755 8.797 -0.042 19542 4145 1 17 . 1 1 2 2 LYS N N 2 126.352 126.352 123.092 3.260 19542 4146 1 17 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.049 0.341 19542 4147 1 17 . 1 1 2 2 LYS CA C 2 54.402 54.402 55.406 -1.004 19542 4148 1 17 . 1 1 2 2 LYS CB C 2 29.734 29.734 32.528 -2.794 19542 4149 1 17 . 1 1 2 2 LYS H H 2 8.381 8.381 8.434 -0.053 19542 4150 1 17 . 1 1 3 3 CYS N N 3 117.974 117.974 120.489 -2.515 19542 4151 1 17 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.554 0.405 19542 4152 1 17 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.111 -6.839 19542 4153 1 17 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.134 9.905 19542 4154 1 17 . 1 1 3 3 CYS H H 3 8.394 8.394 9.037 -0.643 19542 4155 1 17 . 1 1 4 4 PHE N N 4 120.016 120.016 121.030 -1.014 19542 4156 1 17 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.952 -0.346 19542 4157 1 17 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.064 2.655 19542 4158 1 17 . 1 1 4 4 PHE H H 4 9.550 9.550 9.161 0.389 19542 4159 1 17 . 1 1 5 5 GLN N N 5 120.517 120.517 122.665 -2.148 19542 4160 1 17 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.329 0.093 19542 4161 1 17 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.630 -1.627 19542 4162 1 17 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.878 2.716 19542 4163 1 17 . 1 1 5 5 GLN H H 5 9.406 9.406 7.817 1.589 19542 4164 1 17 . 1 1 6 6 HIS N N 6 118.478 118.478 116.007 2.471 19542 4165 1 17 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.742 -0.264 19542 4166 1 17 . 1 1 6 6 HIS CA C 6 56.627 56.627 56.015 0.612 19542 4167 1 17 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.185 -2.209 19542 4168 1 17 . 1 1 6 6 HIS H H 6 8.827 8.827 7.726 1.101 19542 4169 1 17 . 1 1 7 7 GLY N N 7 103.072 103.072 106.119 -3.047 19542 4170 1 17 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.403 0.521 19542 4171 1 17 . 1 1 7 7 GLY H H 7 8.440 8.440 8.575 -0.135 19542 4172 1 17 . 1 1 8 8 LYS N N 8 119.909 119.909 121.285 -1.376 19542 4173 1 17 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.800 0.028 19542 4174 1 17 . 1 1 8 8 LYS CB C 8 35.493 35.493 34.650 0.843 19542 4175 1 17 . 1 1 8 8 LYS H H 8 7.703 7.703 7.930 -0.227 19542 4176 1 17 . 1 1 9 9 VAL N N 9 122.232 122.232 122.586 -0.354 19542 4177 1 17 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.690 0.122 19542 4178 1 17 . 1 1 9 9 VAL CA C 9 63.286 63.286 62.979 0.307 19542 4179 1 17 . 1 1 9 9 VAL CB C 9 26.812 26.812 30.803 -3.991 19542 4180 1 17 . 1 1 9 9 VAL H H 9 8.552 8.552 8.511 0.041 19542 4181 1 17 . 1 1 10 10 VAL N N 10 123.963 123.963 123.814 0.149 19542 4182 1 17 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.756 -0.150 19542 4183 1 17 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.372 1.020 19542 4184 1 17 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.410 -0.628 19542 4185 1 17 . 1 1 10 10 VAL H H 10 8.920 8.920 8.715 0.205 19542 4186 1 17 . 1 1 11 11 THR N N 11 118.572 118.572 119.654 -1.082 19542 4187 1 17 . 1 1 11 11 THR HA H 11 4.443 4.443 4.809 -0.366 19542 4188 1 17 . 1 1 11 11 THR CA C 11 62.719 62.719 63.184 -0.466 19542 4189 1 17 . 1 1 11 11 THR CB C 11 68.689 68.689 68.964 -0.275 19542 4190 1 17 . 1 1 11 11 THR H H 11 8.517 8.517 8.217 0.300 19542 4191 1 17 . 1 1 12 12 CYS N N 12 126.835 126.835 126.300 0.535 19542 4192 1 17 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.525 0.146 19542 4193 1 17 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.968 -5.932 19542 4194 1 17 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.582 11.310 19542 4195 1 17 . 1 1 12 12 CYS H H 12 8.970 8.970 8.737 0.233 19542 4196 1 17 . 1 1 13 13 HIS N N 13 121.091 121.091 122.700 -1.609 19542 4197 1 17 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.458 0.191 19542 4198 1 17 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.061 -1.563 19542 4199 1 17 . 1 1 13 13 HIS H H 13 9.015 9.015 8.553 0.462 19542 4200 1 17 . 1 1 14 14 ARG N N 14 120.872 120.872 121.799 -0.927 19542 4201 1 17 . 1 1 14 14 ARG HA H 14 4.043 4.043 3.951 0.092 19542 4202 1 17 . 1 1 14 14 ARG CA C 14 58.962 58.962 58.336 0.626 19542 4203 1 17 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.831 0.183 19542 4204 1 17 . 1 1 14 14 ARG H H 14 8.689 8.689 8.006 0.683 19542 4205 1 17 . 1 1 15 15 ASP N N 15 121.233 121.233 119.278 1.955 19542 4206 1 17 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.625 -0.122 19542 4207 1 17 . 1 1 15 15 ASP CA C 15 54.306 54.306 56.497 -2.191 19542 4208 1 17 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.289 -2.182 19542 4209 1 17 . 1 1 15 15 ASP H H 15 8.907 8.907 7.924 0.983 19542 4210 1 17 . 1 1 16 16 MET N N 16 119.073 119.073 118.074 0.999 19542 4211 1 17 . 1 1 16 16 MET HA H 16 4.415 4.415 4.785 -0.370 19542 4212 1 17 . 1 1 16 16 MET CA C 16 55.995 55.995 54.356 1.639 19542 4213 1 17 . 1 1 16 16 MET CB C 16 32.662 32.662 31.942 0.720 19542 4214 1 17 . 1 1 16 16 MET H H 16 7.811 7.811 7.760 0.051 19542 4215 1 17 . 1 1 17 17 LYS N N 17 120.187 120.187 122.845 -2.658 19542 4216 1 17 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.146 0.121 19542 4217 1 17 . 1 1 17 17 LYS CA C 17 55.889 55.889 56.525 -0.636 19542 4218 1 17 . 1 1 17 17 LYS CB C 17 34.106 34.106 32.863 1.243 19542 4219 1 17 . 1 1 17 17 LYS H H 17 7.763 7.763 8.357 -0.594 19542 4220 1 17 . 1 1 18 18 PHE N N 18 115.631 115.631 117.455 -1.824 19542 4221 1 17 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.251 -0.138 19542 4222 1 17 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.325 0.646 19542 4223 1 17 . 1 1 18 18 PHE CB C 18 43.018 43.018 41.937 1.081 19542 4224 1 17 . 1 1 18 18 PHE H H 18 8.252 8.252 8.019 0.233 19542 4225 1 17 . 1 1 19 19 CYS N N 19 115.508 115.508 121.675 -6.167 19542 4226 1 17 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.182 0.820 19542 4227 1 17 . 1 1 19 19 CYS CA C 19 52.258 52.258 58.033 -5.775 19542 4228 1 17 . 1 1 19 19 CYS CB C 19 38.627 38.627 27.715 10.912 19542 4229 1 17 . 1 1 19 19 CYS H H 19 9.343 9.343 9.353 -0.010 19542 4230 1 17 . 1 1 20 20 TYR N N 20 128.934 128.934 117.204 11.730 19542 4231 1 17 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.989 0.218 19542 4232 1 17 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.745 0.956 19542 4233 1 17 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.554 1.630 19542 4234 1 17 . 1 1 20 20 TYR H H 20 8.871 8.871 9.076 -0.205 19542 4235 1 17 . 1 1 21 21 HIS N N 21 122.079 122.079 122.977 -0.898 19542 4236 1 17 . 1 1 21 21 HIS HA H 21 5.283 5.283 5.122 0.161 19542 4237 1 17 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.312 0.401 19542 4238 1 17 . 1 1 21 21 HIS CB C 21 31.719 31.719 32.547 -0.828 19542 4239 1 17 . 1 1 21 21 HIS H H 21 8.797 8.797 8.827 -0.030 19542 4240 1 17 . 1 1 22 22 ASN N N 22 128.444 128.444 128.538 -0.094 19542 4241 1 17 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.169 0.677 19542 4242 1 17 . 1 1 22 22 ASN CA C 22 52.512 52.512 53.849 -1.337 19542 4243 1 17 . 1 1 22 22 ASN CB C 22 40.821 40.821 39.230 1.591 19542 4244 1 17 . 1 1 22 22 ASN H H 22 9.823 9.823 8.985 0.838 19542 4245 1 17 . 1 1 23 23 THR N N 23 116.691 116.691 120.358 -3.667 19542 4246 1 17 . 1 1 23 23 THR HA H 23 4.604 4.604 4.640 -0.036 19542 4247 1 17 . 1 1 23 23 THR CA C 23 57.003 57.003 60.306 -3.303 19542 4248 1 17 . 1 1 23 23 THR CB C 23 69.344 69.344 70.767 -1.423 19542 4249 1 17 . 1 1 23 23 THR H H 23 8.561 8.561 8.847 -0.286 19542 4250 1 17 . 1 1 24 24 GLY N N 24 110.763 110.763 108.982 1.781 19542 4251 1 17 . 1 1 24 24 GLY CA C 24 44.993 44.993 45.662 -0.669 19542 4252 1 17 . 1 1 24 24 GLY H H 24 8.608 8.608 8.449 0.159 19542 4253 1 17 . 1 1 25 25 MET N N 25 120.520 120.520 121.808 -1.288 19542 4254 1 17 . 1 1 25 25 MET HA H 25 4.818 4.818 4.837 -0.019 19542 4255 1 17 . 1 1 25 25 MET CA C 25 53.892 53.892 53.039 0.853 19542 4256 1 17 . 1 1 25 25 MET CB C 25 32.399 32.399 33.170 -0.771 19542 4257 1 17 . 1 1 25 25 MET H H 25 8.418 8.418 8.287 0.131 19542 4258 1 17 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.542 -0.165 19542 4259 1 17 . 1 1 26 26 PRO CA C 26 63.841 63.841 63.214 0.627 19542 4260 1 17 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.898 -0.147 19542 4261 1 17 . 1 1 27 27 PHE N N 27 118.056 118.056 122.855 -4.799 19542 4262 1 17 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.511 0.114 19542 4263 1 17 . 1 1 27 27 PHE CA C 27 57.332 57.332 58.095 -0.763 19542 4264 1 17 . 1 1 27 27 PHE CB C 27 39.701 39.701 39.534 0.167 19542 4265 1 17 . 1 1 27 27 PHE H H 27 7.988 7.988 8.634 -0.646 19542 4266 1 17 . 1 1 28 28 ARG N N 28 121.294 121.294 123.388 -2.094 19542 4267 1 17 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.468 -0.409 19542 4268 1 17 . 1 1 28 28 ARG CA C 28 57.142 57.142 55.590 1.552 19542 4269 1 17 . 1 1 28 28 ARG CB C 28 29.711 29.711 31.366 -1.655 19542 4270 1 17 . 1 1 28 28 ARG H H 28 8.333 8.333 8.691 -0.358 19542 4271 1 17 . 1 1 29 29 ASN N N 29 116.243 116.243 118.102 -1.859 19542 4272 1 17 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.377 0.219 19542 4273 1 17 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.144 -0.349 19542 4274 1 17 . 1 1 29 29 ASN CB C 29 38.239 38.239 38.310 -0.071 19542 4275 1 17 . 1 1 29 29 ASN H H 29 8.356 8.356 8.979 -0.623 19542 4276 1 17 . 1 1 30 30 LEU N N 30 121.660 121.660 119.446 2.214 19542 4277 1 17 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.579 -0.134 19542 4278 1 17 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.763 0.440 19542 4279 1 17 . 1 1 30 30 LEU CB C 30 42.982 42.982 42.824 0.158 19542 4280 1 17 . 1 1 30 30 LEU H H 30 8.028 8.028 7.608 0.420 19542 4281 1 17 . 1 1 31 31 LYS N N 31 120.928 120.928 126.466 -5.538 19542 4282 1 17 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.480 -0.102 19542 4283 1 17 . 1 1 31 31 LYS CA C 31 56.271 56.271 55.423 0.848 19542 4284 1 17 . 1 1 31 31 LYS CB C 31 32.230 32.230 30.785 1.446 19542 4285 1 17 . 1 1 31 31 LYS H H 31 8.306 8.306 8.495 -0.189 19542 4286 1 17 . 1 1 32 32 LEU N N 32 122.843 122.843 123.339 -0.496 19542 4287 1 17 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.571 -0.125 19542 4288 1 17 . 1 1 32 32 LEU CA C 32 54.484 54.484 53.552 0.932 19542 4289 1 17 . 1 1 32 32 LEU CB C 32 43.404 43.404 43.835 -0.431 19542 4290 1 17 . 1 1 32 32 LEU H H 32 8.027 8.027 8.004 0.023 19542 4291 1 17 . 1 1 33 33 ILE N N 33 123.311 123.311 125.880 -2.569 19542 4292 1 17 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.191 0.192 19542 4293 1 17 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.944 0.651 19542 4294 1 17 . 1 1 33 33 ILE CB C 33 38.303 38.303 39.186 -0.883 19542 4295 1 17 . 1 1 33 33 ILE H H 33 8.327 8.327 8.490 -0.163 19542 4296 1 17 . 1 1 34 34 LEU N N 34 128.669 128.669 131.223 -2.554 19542 4297 1 17 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.577 0.217 19542 4298 1 17 . 1 1 34 34 LEU CB C 34 42.873 42.873 41.267 1.606 19542 4299 1 17 . 1 1 34 34 LEU H H 34 8.880 8.880 8.907 -0.027 19542 4300 1 17 . 1 1 35 35 GLN N N 35 121.600 121.600 122.846 -1.246 19542 4301 1 17 . 1 1 35 35 GLN HA H 35 4.588 4.588 5.303 -0.715 19542 4302 1 17 . 1 1 35 35 GLN CA C 35 61.390 61.390 54.631 6.759 19542 4303 1 17 . 1 1 35 35 GLN CB C 35 33.866 33.866 31.482 2.384 19542 4304 1 17 . 1 1 35 35 GLN H H 35 8.210 8.210 8.057 0.153 19542 4305 1 17 . 1 1 36 36 GLY N N 36 106.726 106.726 109.872 -3.146 19542 4306 1 17 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.509 2.369 19542 4307 1 17 . 1 1 36 36 GLY H H 36 6.121 6.121 7.670 -1.549 19542 4308 1 17 . 1 1 37 37 CYS N N 37 124.584 124.584 118.754 5.830 19542 4309 1 17 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.350 0.524 19542 4310 1 17 . 1 1 37 37 CYS CA C 37 55.955 55.955 57.959 -2.004 19542 4311 1 17 . 1 1 37 37 CYS CB C 37 48.202 48.202 30.642 17.559 19542 4312 1 17 . 1 1 37 37 CYS H H 37 8.505 8.505 8.534 -0.029 19542 4313 1 17 . 1 1 38 38 SER N N 38 115.036 115.036 118.421 -3.385 19542 4314 1 17 . 1 1 38 38 SER HA H 38 4.980 4.980 5.078 -0.098 19542 4315 1 17 . 1 1 38 38 SER CA C 38 58.792 58.792 56.273 2.519 19542 4316 1 17 . 1 1 38 38 SER CB C 38 65.971 65.971 65.680 0.291 19542 4317 1 17 . 1 1 38 38 SER H H 38 9.749 9.749 9.393 0.356 19542 4318 1 17 . 1 1 39 39 SER N N 39 117.276 117.276 119.760 -2.484 19542 4319 1 17 . 1 1 39 39 SER HA H 39 4.827 4.827 4.886 -0.059 19542 4320 1 17 . 1 1 39 39 SER CA C 39 60.040 60.040 60.885 -0.845 19542 4321 1 17 . 1 1 39 39 SER CB C 39 63.784 63.784 63.764 0.020 19542 4322 1 17 . 1 1 39 39 SER H H 39 9.161 9.161 8.828 0.333 19542 4323 1 17 . 1 1 40 40 SER N N 40 115.041 115.041 114.988 0.053 19542 4324 1 17 . 1 1 40 40 SER HA H 40 4.660 4.660 4.766 -0.106 19542 4325 1 17 . 1 1 40 40 SER CA C 40 55.868 55.868 57.619 -1.751 19542 4326 1 17 . 1 1 40 40 SER CB C 40 64.868 64.868 65.965 -1.097 19542 4327 1 17 . 1 1 40 40 SER H H 40 7.911 7.911 7.734 0.177 19542 4328 1 17 . 1 1 41 41 CYS N N 41 124.146 124.146 121.972 2.174 19542 4329 1 17 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.567 -0.258 19542 4330 1 17 . 1 1 41 41 CYS CA C 41 57.567 57.567 58.303 -0.736 19542 4331 1 17 . 1 1 41 41 CYS CB C 41 40.000 40.000 30.306 9.694 19542 4332 1 17 . 1 1 41 41 CYS H H 41 8.067 8.067 8.383 -0.316 19542 4333 1 17 . 1 1 42 42 SER N N 42 118.590 118.590 120.842 -2.252 19542 4334 1 17 . 1 1 42 42 SER HA H 42 4.611 4.611 4.479 0.132 19542 4335 1 17 . 1 1 42 42 SER CA C 42 59.020 59.020 57.329 1.691 19542 4336 1 17 . 1 1 42 42 SER CB C 42 64.112 64.112 63.385 0.727 19542 4337 1 17 . 1 1 42 42 SER H H 42 8.491 8.491 8.551 -0.060 19542 4338 1 17 . 1 1 43 43 GLU N N 43 118.830 118.830 128.052 -9.222 19542 4339 1 17 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.007 0.642 19542 4340 1 17 . 1 1 43 43 GLU CA C 43 56.856 56.856 57.664 -0.808 19542 4341 1 17 . 1 1 43 43 GLU CB C 43 29.206 29.206 29.247 -0.042 19542 4342 1 17 . 1 1 43 43 GLU H H 43 8.861 8.861 8.716 0.145 19542 4343 1 17 . 1 1 44 44 THR N N 44 117.954 117.954 117.964 -0.010 19542 4344 1 17 . 1 1 44 44 THR HA H 44 4.619 4.619 4.650 -0.031 19542 4345 1 17 . 1 1 44 44 THR CB C 44 72.341 72.341 70.757 1.584 19542 4346 1 17 . 1 1 44 44 THR H H 44 9.030 9.030 8.306 0.724 19542 4347 1 17 . 1 1 45 45 GLU N N 45 127.100 127.100 119.250 7.850 19542 4348 1 17 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.156 -0.062 19542 4349 1 17 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.429 0.505 19542 4350 1 17 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.646 -2.637 19542 4351 1 17 . 1 1 45 45 GLU H H 45 8.837 8.837 8.777 0.060 19542 4352 1 17 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.785 0.117 19542 4353 1 17 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.933 -1.689 19542 4354 1 17 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.192 0.861 19542 4355 1 17 . 1 1 46 46 ASN H H 46 8.018 8.018 8.117 -0.099 19542 4356 1 17 . 1 1 47 47 ASN N N 47 120.765 120.765 118.620 2.145 19542 4357 1 17 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.124 0.238 19542 4358 1 17 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.333 1.646 19542 4359 1 17 . 1 1 47 47 ASN CB C 47 41.749 41.749 40.080 1.669 19542 4360 1 17 . 1 1 47 47 ASN H H 47 7.835 7.835 8.114 -0.279 19542 4361 1 17 . 1 1 48 48 LYS N N 48 123.576 123.576 128.674 -5.098 19542 4362 1 17 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.894 -0.052 19542 4363 1 17 . 1 1 48 48 LYS CB C 48 34.398 34.398 33.048 1.350 19542 4364 1 17 . 1 1 48 48 LYS H H 48 8.548 8.548 8.540 0.008 19542 4365 1 17 . 1 1 49 49 CYS N N 49 116.141 116.141 124.311 -8.170 19542 4366 1 17 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.705 -0.152 19542 4367 1 17 . 1 1 49 49 CYS CA C 49 53.386 53.386 57.847 -4.461 19542 4368 1 17 . 1 1 49 49 CYS CB C 49 44.935 44.935 26.681 18.254 19542 4369 1 17 . 1 1 49 49 CYS H H 49 8.873 8.873 8.541 0.332 19542 4370 1 17 . 1 1 50 50 CYS N N 50 118.484 118.484 122.711 -4.227 19542 4371 1 17 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.985 0.280 19542 4372 1 17 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.430 -1.447 19542 4373 1 17 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.802 15.309 19542 4374 1 17 . 1 1 50 50 CYS H H 50 9.389 9.389 9.445 -0.056 19542 4375 1 17 . 1 1 51 51 SER N N 51 115.213 115.213 117.078 -1.865 19542 4376 1 17 . 1 1 51 51 SER HA H 51 5.016 5.016 4.939 0.077 19542 4377 1 17 . 1 1 51 51 SER CA C 51 58.118 58.118 57.855 0.263 19542 4378 1 17 . 1 1 51 51 SER CB C 51 64.457 64.457 62.760 1.697 19542 4379 1 17 . 1 1 51 51 SER H H 51 9.290 9.290 8.549 0.741 19542 4380 1 17 . 1 1 52 52 THR N N 52 112.156 112.156 117.645 -5.489 19542 4381 1 17 . 1 1 52 52 THR HA H 52 4.692 4.692 4.473 0.219 19542 4382 1 17 . 1 1 52 52 THR CA C 52 59.835 59.835 61.398 -1.563 19542 4383 1 17 . 1 1 52 52 THR CB C 52 71.872 71.872 72.030 -0.158 19542 4384 1 17 . 1 1 52 52 THR H H 52 7.624 7.624 7.308 0.316 19542 4385 1 17 . 1 1 53 53 ASP N N 53 119.869 119.869 121.790 -1.921 19542 4386 1 17 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.327 0.643 19542 4387 1 17 . 1 1 53 53 ASP CA C 53 55.485 55.485 55.643 -0.158 19542 4388 1 17 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.786 -0.064 19542 4389 1 17 . 1 1 53 53 ASP H H 53 8.410 8.410 8.725 -0.315 19542 4390 1 17 . 1 1 54 54 ARG N N 54 111.677 111.677 120.301 -8.624 19542 4391 1 17 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.510 -0.325 19542 4392 1 17 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.456 0.506 19542 4393 1 17 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.039 1.390 19542 4394 1 17 . 1 1 54 54 ARG H H 54 9.306 9.306 8.846 0.460 19542 4395 1 17 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.471 0.090 19542 4396 1 17 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.275 -1.461 19542 4397 1 17 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.002 19.234 19542 4398 1 17 . 1 1 55 55 CYS H H 55 7.995 7.995 7.915 0.080 19542 4399 1 17 . 1 1 56 56 ASN N N 56 121.881 121.881 120.283 1.598 19542 4400 1 17 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.702 0.108 19542 4401 1 17 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.553 -0.187 19542 4402 1 17 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.520 1.317 19542 4403 1 17 . 1 1 56 56 ASN H H 56 8.755 8.755 8.633 0.122 19542 4404 1 18 . 1 1 2 2 LYS N N 2 126.352 126.352 120.701 5.651 19542 4405 1 18 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.293 0.097 19542 4406 1 18 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.803 -0.401 19542 4407 1 18 . 1 1 2 2 LYS CB C 2 29.734 29.734 32.879 -3.145 19542 4408 1 18 . 1 1 2 2 LYS H H 2 8.381 8.381 8.198 0.183 19542 4409 1 18 . 1 1 3 3 CYS N N 3 117.974 117.974 120.931 -2.957 19542 4410 1 18 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.550 0.409 19542 4411 1 18 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.290 -7.018 19542 4412 1 18 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.375 9.664 19542 4413 1 18 . 1 1 3 3 CYS H H 3 8.394 8.394 8.797 -0.403 19542 4414 1 18 . 1 1 4 4 PHE N N 4 120.016 120.016 121.287 -1.271 19542 4415 1 18 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.922 -0.316 19542 4416 1 18 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.276 2.443 19542 4417 1 18 . 1 1 4 4 PHE H H 4 9.550 9.550 9.236 0.314 19542 4418 1 18 . 1 1 5 5 GLN N N 5 120.517 120.517 123.486 -2.969 19542 4419 1 18 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.209 0.213 19542 4420 1 18 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.631 -1.628 19542 4421 1 18 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.860 2.734 19542 4422 1 18 . 1 1 5 5 GLN H H 5 9.406 9.406 7.955 1.451 19542 4423 1 18 . 1 1 6 6 HIS N N 6 118.478 118.478 115.063 3.415 19542 4424 1 18 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.705 -0.227 19542 4425 1 18 . 1 1 6 6 HIS CA C 6 56.627 56.627 56.581 0.046 19542 4426 1 18 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.833 -2.857 19542 4427 1 18 . 1 1 6 6 HIS H H 6 8.827 8.827 7.779 1.048 19542 4428 1 18 . 1 1 7 7 GLY N N 7 103.072 103.072 106.166 -3.094 19542 4429 1 18 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.095 0.829 19542 4430 1 18 . 1 1 7 7 GLY H H 7 8.440 8.440 8.556 -0.116 19542 4431 1 18 . 1 1 8 8 LYS N N 8 119.909 119.909 121.061 -1.152 19542 4432 1 18 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.813 0.015 19542 4433 1 18 . 1 1 8 8 LYS CB C 8 35.493 35.493 34.554 0.939 19542 4434 1 18 . 1 1 8 8 LYS H H 8 7.703 7.703 8.009 -0.306 19542 4435 1 18 . 1 1 9 9 VAL N N 9 122.232 122.232 122.232 0.000 19542 4436 1 18 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.621 0.191 19542 4437 1 18 . 1 1 9 9 VAL CA C 9 63.286 63.286 62.778 0.508 19542 4438 1 18 . 1 1 9 9 VAL CB C 9 26.812 26.812 31.388 -4.576 19542 4439 1 18 . 1 1 9 9 VAL H H 9 8.552 8.552 8.403 0.149 19542 4440 1 18 . 1 1 10 10 VAL N N 10 123.963 123.963 123.681 0.282 19542 4441 1 18 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.680 -0.074 19542 4442 1 18 . 1 1 10 10 VAL CA C 10 60.392 60.392 58.959 1.433 19542 4443 1 18 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.611 -0.829 19542 4444 1 18 . 1 1 10 10 VAL H H 10 8.920 8.920 8.656 0.264 19542 4445 1 18 . 1 1 11 11 THR N N 11 118.572 118.572 119.706 -1.134 19542 4446 1 18 . 1 1 11 11 THR HA H 11 4.443 4.443 4.439 0.004 19542 4447 1 18 . 1 1 11 11 THR CA C 11 62.719 62.719 63.685 -0.966 19542 4448 1 18 . 1 1 11 11 THR CB C 11 68.689 68.689 68.284 0.405 19542 4449 1 18 . 1 1 11 11 THR H H 11 8.517 8.517 8.304 0.213 19542 4450 1 18 . 1 1 12 12 CYS N N 12 126.835 126.835 126.868 -0.033 19542 4451 1 18 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.504 0.167 19542 4452 1 18 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.367 -5.331 19542 4453 1 18 . 1 1 12 12 CYS CB C 12 38.892 38.892 28.221 10.671 19542 4454 1 18 . 1 1 12 12 CYS H H 12 8.970 8.970 8.794 0.176 19542 4455 1 18 . 1 1 13 13 HIS N N 13 121.091 121.091 121.418 -0.327 19542 4456 1 18 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.463 0.186 19542 4457 1 18 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.244 -1.746 19542 4458 1 18 . 1 1 13 13 HIS H H 13 9.015 9.015 8.510 0.505 19542 4459 1 18 . 1 1 14 14 ARG N N 14 120.872 120.872 123.084 -2.212 19542 4460 1 18 . 1 1 14 14 ARG HA H 14 4.043 4.043 3.930 0.113 19542 4461 1 18 . 1 1 14 14 ARG CA C 14 58.962 58.962 58.365 0.597 19542 4462 1 18 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.635 0.379 19542 4463 1 18 . 1 1 14 14 ARG H H 14 8.689 8.689 8.298 0.391 19542 4464 1 18 . 1 1 15 15 ASP N N 15 121.233 121.233 117.968 3.265 19542 4465 1 18 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.667 -0.164 19542 4466 1 18 . 1 1 15 15 ASP CA C 15 54.306 54.306 54.929 -0.623 19542 4467 1 18 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.755 -2.648 19542 4468 1 18 . 1 1 15 15 ASP H H 15 8.907 8.907 7.441 1.466 19542 4469 1 18 . 1 1 16 16 MET N N 16 119.073 119.073 119.018 0.055 19542 4470 1 18 . 1 1 16 16 MET HA H 16 4.415 4.415 4.645 -0.230 19542 4471 1 18 . 1 1 16 16 MET CA C 16 55.995 55.995 54.801 1.194 19542 4472 1 18 . 1 1 16 16 MET CB C 16 32.662 32.662 31.295 1.367 19542 4473 1 18 . 1 1 16 16 MET H H 16 7.811 7.811 7.690 0.121 19542 4474 1 18 . 1 1 17 17 LYS N N 17 120.187 120.187 122.263 -2.076 19542 4475 1 18 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.225 0.042 19542 4476 1 18 . 1 1 17 17 LYS CA C 17 55.889 55.889 56.691 -0.802 19542 4477 1 18 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.386 0.719 19542 4478 1 18 . 1 1 17 17 LYS H H 17 7.763 7.763 8.229 -0.466 19542 4479 1 18 . 1 1 18 18 PHE N N 18 115.631 115.631 116.792 -1.161 19542 4480 1 18 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.037 0.076 19542 4481 1 18 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.338 0.633 19542 4482 1 18 . 1 1 18 18 PHE CB C 18 43.018 43.018 42.962 0.056 19542 4483 1 18 . 1 1 18 18 PHE H H 18 8.252 8.252 7.905 0.347 19542 4484 1 18 . 1 1 19 19 CYS N N 19 115.508 115.508 119.885 -4.377 19542 4485 1 18 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.123 0.879 19542 4486 1 18 . 1 1 19 19 CYS CA C 19 52.258 52.258 57.962 -5.704 19542 4487 1 18 . 1 1 19 19 CYS CB C 19 38.627 38.627 28.565 10.062 19542 4488 1 18 . 1 1 19 19 CYS H H 19 9.343 9.343 9.510 -0.167 19542 4489 1 18 . 1 1 20 20 TYR N N 20 128.934 128.934 117.447 11.487 19542 4490 1 18 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.881 0.326 19542 4491 1 18 . 1 1 20 20 TYR CA C 20 55.701 55.701 55.072 0.629 19542 4492 1 18 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.227 1.957 19542 4493 1 18 . 1 1 20 20 TYR H H 20 8.871 8.871 9.213 -0.342 19542 4494 1 18 . 1 1 21 21 HIS N N 21 122.079 122.079 123.483 -1.404 19542 4495 1 18 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.869 0.414 19542 4496 1 18 . 1 1 21 21 HIS CA C 21 54.713 54.713 53.906 0.807 19542 4497 1 18 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.277 0.442 19542 4498 1 18 . 1 1 21 21 HIS H H 21 8.797 8.797 9.178 -0.381 19542 4499 1 18 . 1 1 22 22 ASN N N 22 128.444 128.444 127.333 1.111 19542 4500 1 18 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.398 0.448 19542 4501 1 18 . 1 1 22 22 ASN CA C 22 52.512 52.512 52.483 0.029 19542 4502 1 18 . 1 1 22 22 ASN CB C 22 40.821 40.821 41.900 -1.079 19542 4503 1 18 . 1 1 22 22 ASN H H 22 9.823 9.823 8.925 0.898 19542 4504 1 18 . 1 1 23 23 THR N N 23 116.691 116.691 118.299 -1.608 19542 4505 1 18 . 1 1 23 23 THR HA H 23 4.604 4.604 5.203 -0.599 19542 4506 1 18 . 1 1 23 23 THR CA C 23 57.003 57.003 59.312 -2.309 19542 4507 1 18 . 1 1 23 23 THR CB C 23 69.344 69.344 71.214 -1.870 19542 4508 1 18 . 1 1 23 23 THR H H 23 8.561 8.561 7.701 0.860 19542 4509 1 18 . 1 1 24 24 GLY N N 24 110.763 110.763 108.722 2.041 19542 4510 1 18 . 1 1 24 24 GLY CA C 24 44.993 44.993 44.269 0.724 19542 4511 1 18 . 1 1 24 24 GLY H H 24 8.608 8.608 8.261 0.347 19542 4512 1 18 . 1 1 25 25 MET N N 25 120.520 120.520 121.034 -0.514 19542 4513 1 18 . 1 1 25 25 MET HA H 25 4.818 4.818 4.703 0.115 19542 4514 1 18 . 1 1 25 25 MET CA C 25 53.892 53.892 53.658 0.234 19542 4515 1 18 . 1 1 25 25 MET CB C 25 32.399 32.399 33.025 -0.626 19542 4516 1 18 . 1 1 25 25 MET H H 25 8.418 8.418 8.335 0.083 19542 4517 1 18 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.446 -0.069 19542 4518 1 18 . 1 1 26 26 PRO CA C 26 63.841 63.841 63.116 0.725 19542 4519 1 18 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.223 0.527 19542 4520 1 18 . 1 1 27 27 PHE N N 27 118.056 118.056 123.618 -5.562 19542 4521 1 18 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.738 -0.113 19542 4522 1 18 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.066 1.266 19542 4523 1 18 . 1 1 27 27 PHE CB C 27 39.701 39.701 43.203 -3.502 19542 4524 1 18 . 1 1 27 27 PHE H H 27 7.988 7.988 7.859 0.129 19542 4525 1 18 . 1 1 28 28 ARG N N 28 121.294 121.294 123.879 -2.585 19542 4526 1 18 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.124 -0.065 19542 4527 1 18 . 1 1 28 28 ARG CA C 28 57.142 57.142 58.279 -1.137 19542 4528 1 18 . 1 1 28 28 ARG CB C 28 29.711 29.711 29.736 -0.025 19542 4529 1 18 . 1 1 28 28 ARG H H 28 8.333 8.333 8.980 -0.647 19542 4530 1 18 . 1 1 29 29 ASN N N 29 116.243 116.243 116.204 0.039 19542 4531 1 18 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.409 0.187 19542 4532 1 18 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.555 -0.760 19542 4533 1 18 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.700 0.539 19542 4534 1 18 . 1 1 29 29 ASN H H 29 8.356 8.356 8.834 -0.478 19542 4535 1 18 . 1 1 30 30 LEU N N 30 121.660 121.660 122.619 -0.959 19542 4536 1 18 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.476 -0.031 19542 4537 1 18 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.630 0.572 19542 4538 1 18 . 1 1 30 30 LEU CB C 30 42.982 42.982 41.798 1.184 19542 4539 1 18 . 1 1 30 30 LEU H H 30 8.028 8.028 7.920 0.108 19542 4540 1 18 . 1 1 31 31 LYS N N 31 120.928 120.928 125.643 -4.715 19542 4541 1 18 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.542 -0.164 19542 4542 1 18 . 1 1 31 31 LYS CA C 31 56.271 56.271 54.492 1.779 19542 4543 1 18 . 1 1 31 31 LYS CB C 31 32.230 32.230 32.046 0.184 19542 4544 1 18 . 1 1 31 31 LYS H H 31 8.306 8.306 7.952 0.354 19542 4545 1 18 . 1 1 32 32 LEU N N 32 122.843 122.843 126.538 -3.695 19542 4546 1 18 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.450 -0.004 19542 4547 1 18 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.505 -0.021 19542 4548 1 18 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.597 0.807 19542 4549 1 18 . 1 1 32 32 LEU H H 32 8.027 8.027 8.378 -0.351 19542 4550 1 18 . 1 1 33 33 ILE N N 33 123.311 123.311 127.603 -4.292 19542 4551 1 18 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.401 -0.018 19542 4552 1 18 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.869 0.726 19542 4553 1 18 . 1 1 33 33 ILE CB C 33 38.303 38.303 36.970 1.333 19542 4554 1 18 . 1 1 33 33 ILE H H 33 8.327 8.327 7.995 0.332 19542 4555 1 18 . 1 1 34 34 LEU N N 34 128.669 128.669 127.848 0.821 19542 4556 1 18 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.720 0.074 19542 4557 1 18 . 1 1 34 34 LEU CB C 34 42.873 42.873 42.125 0.748 19542 4558 1 18 . 1 1 34 34 LEU H H 34 8.880 8.880 8.803 0.077 19542 4559 1 18 . 1 1 35 35 GLN N N 35 121.600 121.600 120.802 0.798 19542 4560 1 18 . 1 1 35 35 GLN HA H 35 4.588 4.588 4.972 -0.384 19542 4561 1 18 . 1 1 35 35 GLN CA C 35 61.390 61.390 55.222 6.168 19542 4562 1 18 . 1 1 35 35 GLN CB C 35 33.866 33.866 29.769 4.097 19542 4563 1 18 . 1 1 35 35 GLN H H 35 8.210 8.210 8.248 -0.038 19542 4564 1 18 . 1 1 36 36 GLY N N 36 106.726 106.726 110.281 -3.555 19542 4565 1 18 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.330 2.548 19542 4566 1 18 . 1 1 36 36 GLY H H 36 6.121 6.121 7.867 -1.746 19542 4567 1 18 . 1 1 37 37 CYS N N 37 124.584 124.584 117.768 6.816 19542 4568 1 18 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.225 0.649 19542 4569 1 18 . 1 1 37 37 CYS CA C 37 55.955 55.955 57.888 -1.933 19542 4570 1 18 . 1 1 37 37 CYS CB C 37 48.202 48.202 30.346 17.856 19542 4571 1 18 . 1 1 37 37 CYS H H 37 8.505 8.505 8.453 0.052 19542 4572 1 18 . 1 1 38 38 SER N N 38 115.036 115.036 116.673 -1.637 19542 4573 1 18 . 1 1 38 38 SER HA H 38 4.980 4.980 5.100 -0.120 19542 4574 1 18 . 1 1 38 38 SER CA C 38 58.792 58.792 56.565 2.227 19542 4575 1 18 . 1 1 38 38 SER CB C 38 65.971 65.971 64.877 1.094 19542 4576 1 18 . 1 1 38 38 SER H H 38 9.749 9.749 9.251 0.498 19542 4577 1 18 . 1 1 39 39 SER N N 39 117.276 117.276 117.795 -0.519 19542 4578 1 18 . 1 1 39 39 SER HA H 39 4.827 4.827 5.001 -0.174 19542 4579 1 18 . 1 1 39 39 SER CA C 39 60.040 60.040 59.027 1.013 19542 4580 1 18 . 1 1 39 39 SER CB C 39 63.784 63.784 63.879 -0.095 19542 4581 1 18 . 1 1 39 39 SER H H 39 9.161 9.161 8.741 0.420 19542 4582 1 18 . 1 1 40 40 SER N N 40 115.041 115.041 113.361 1.680 19542 4583 1 18 . 1 1 40 40 SER HA H 40 4.660 4.660 4.703 -0.043 19542 4584 1 18 . 1 1 40 40 SER CA C 40 55.868 55.868 56.475 -0.607 19542 4585 1 18 . 1 1 40 40 SER CB C 40 64.868 64.868 65.850 -0.982 19542 4586 1 18 . 1 1 40 40 SER H H 40 7.911 7.911 7.701 0.210 19542 4587 1 18 . 1 1 41 41 CYS N N 41 124.146 124.146 119.912 4.234 19542 4588 1 18 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.369 -0.060 19542 4589 1 18 . 1 1 41 41 CYS CA C 41 57.567 57.567 57.242 0.325 19542 4590 1 18 . 1 1 41 41 CYS CB C 41 40.000 40.000 27.184 12.816 19542 4591 1 18 . 1 1 41 41 CYS H H 41 8.067 8.067 8.066 0.001 19542 4592 1 18 . 1 1 42 42 SER N N 42 118.590 118.590 123.791 -5.201 19542 4593 1 18 . 1 1 42 42 SER HA H 42 4.611 4.611 4.335 0.276 19542 4594 1 18 . 1 1 42 42 SER CA C 42 59.020 59.020 58.201 0.819 19542 4595 1 18 . 1 1 42 42 SER CB C 42 64.112 64.112 63.051 1.061 19542 4596 1 18 . 1 1 42 42 SER H H 42 8.491 8.491 8.732 -0.241 19542 4597 1 18 . 1 1 43 43 GLU N N 43 118.830 118.830 127.279 -8.449 19542 4598 1 18 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.126 0.523 19542 4599 1 18 . 1 1 43 43 GLU CA C 43 56.856 56.856 57.183 -0.327 19542 4600 1 18 . 1 1 43 43 GLU CB C 43 29.206 29.206 28.347 0.859 19542 4601 1 18 . 1 1 43 43 GLU H H 43 8.861 8.861 8.426 0.435 19542 4602 1 18 . 1 1 44 44 THR N N 44 117.954 117.954 114.579 3.375 19542 4603 1 18 . 1 1 44 44 THR HA H 44 4.619 4.619 4.639 -0.020 19542 4604 1 18 . 1 1 44 44 THR CB C 44 72.341 72.341 71.155 1.186 19542 4605 1 18 . 1 1 44 44 THR H H 44 9.030 9.030 7.740 1.290 19542 4606 1 18 . 1 1 45 45 GLU N N 45 127.100 127.100 119.062 8.038 19542 4607 1 18 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.176 -0.082 19542 4608 1 18 . 1 1 45 45 GLU CA C 45 58.934 58.934 57.877 1.057 19542 4609 1 18 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.893 -2.885 19542 4610 1 18 . 1 1 45 45 GLU H H 45 8.837 8.837 8.733 0.104 19542 4611 1 18 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.488 0.414 19542 4612 1 18 . 1 1 46 46 ASN CA C 46 53.244 53.244 55.393 -2.149 19542 4613 1 18 . 1 1 46 46 ASN CB C 46 40.053 40.053 38.744 1.309 19542 4614 1 18 . 1 1 46 46 ASN H H 46 8.018 8.018 8.474 -0.456 19542 4615 1 18 . 1 1 47 47 ASN N N 47 120.765 120.765 119.327 1.438 19542 4616 1 18 . 1 1 47 47 ASN HA H 47 5.362 5.362 4.977 0.385 19542 4617 1 18 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.709 1.270 19542 4618 1 18 . 1 1 47 47 ASN CB C 47 41.749 41.749 39.026 2.723 19542 4619 1 18 . 1 1 47 47 ASN H H 47 7.835 7.835 7.831 0.004 19542 4620 1 18 . 1 1 48 48 LYS N N 48 123.576 123.576 127.144 -3.568 19542 4621 1 18 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.510 0.332 19542 4622 1 18 . 1 1 48 48 LYS CB C 48 34.398 34.398 32.461 1.937 19542 4623 1 18 . 1 1 48 48 LYS H H 48 8.548 8.548 8.687 -0.139 19542 4624 1 18 . 1 1 49 49 CYS N N 49 116.141 116.141 120.777 -4.636 19542 4625 1 18 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.837 -0.284 19542 4626 1 18 . 1 1 49 49 CYS CA C 49 53.386 53.386 55.970 -2.584 19542 4627 1 18 . 1 1 49 49 CYS CB C 49 44.935 44.935 27.416 17.519 19542 4628 1 18 . 1 1 49 49 CYS H H 49 8.873 8.873 8.638 0.235 19542 4629 1 18 . 1 1 50 50 CYS N N 50 118.484 118.484 122.094 -3.610 19542 4630 1 18 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.941 0.324 19542 4631 1 18 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.045 -1.062 19542 4632 1 18 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.891 15.220 19542 4633 1 18 . 1 1 50 50 CYS H H 50 9.389 9.389 9.541 -0.152 19542 4634 1 18 . 1 1 51 51 SER N N 51 115.213 115.213 116.879 -1.666 19542 4635 1 18 . 1 1 51 51 SER HA H 51 5.016 5.016 4.745 0.271 19542 4636 1 18 . 1 1 51 51 SER CA C 51 58.118 58.118 57.754 0.364 19542 4637 1 18 . 1 1 51 51 SER CB C 51 64.457 64.457 62.367 2.090 19542 4638 1 18 . 1 1 51 51 SER H H 51 9.290 9.290 8.705 0.585 19542 4639 1 18 . 1 1 52 52 THR N N 52 112.156 112.156 117.495 -5.339 19542 4640 1 18 . 1 1 52 52 THR HA H 52 4.692 4.692 4.444 0.248 19542 4641 1 18 . 1 1 52 52 THR CA C 52 59.835 59.835 60.864 -1.029 19542 4642 1 18 . 1 1 52 52 THR CB C 52 71.872 71.872 71.818 0.054 19542 4643 1 18 . 1 1 52 52 THR H H 52 7.624 7.624 7.690 -0.066 19542 4644 1 18 . 1 1 53 53 ASP N N 53 119.869 119.869 122.997 -3.128 19542 4645 1 18 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.438 0.532 19542 4646 1 18 . 1 1 53 53 ASP CA C 53 55.485 55.485 56.353 -0.868 19542 4647 1 18 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.773 -0.051 19542 4648 1 18 . 1 1 53 53 ASP H H 53 8.410 8.410 8.565 -0.155 19542 4649 1 18 . 1 1 54 54 ARG N N 54 111.677 111.677 117.824 -6.147 19542 4650 1 18 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.610 -0.425 19542 4651 1 18 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.569 0.394 19542 4652 1 18 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.232 1.198 19542 4653 1 18 . 1 1 54 54 ARG H H 54 9.306 9.306 8.882 0.424 19542 4654 1 18 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.432 0.129 19542 4655 1 18 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.797 -1.983 19542 4656 1 18 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.065 19.171 19542 4657 1 18 . 1 1 55 55 CYS H H 55 7.995 7.995 7.947 0.048 19542 4658 1 18 . 1 1 56 56 ASN N N 56 121.881 121.881 120.299 1.582 19542 4659 1 18 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.709 0.101 19542 4660 1 18 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.651 -0.285 19542 4661 1 18 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.546 1.291 19542 4662 1 18 . 1 1 56 56 ASN H H 56 8.755 8.755 8.684 0.071 19542 4663 1 19 . 1 1 2 2 LYS N N 2 126.352 126.352 123.173 3.179 19542 4664 1 19 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.440 -0.050 19542 4665 1 19 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.417 -0.015 19542 4666 1 19 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.380 -3.646 19542 4667 1 19 . 1 1 2 2 LYS H H 2 8.381 8.381 8.262 0.119 19542 4668 1 19 . 1 1 3 3 CYS N N 3 117.974 117.974 120.619 -2.645 19542 4669 1 19 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.586 0.373 19542 4670 1 19 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.407 -7.135 19542 4671 1 19 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.313 9.726 19542 4672 1 19 . 1 1 3 3 CYS H H 3 8.394 8.394 8.576 -0.182 19542 4673 1 19 . 1 1 4 4 PHE N N 4 120.016 120.016 121.313 -1.297 19542 4674 1 19 . 1 1 4 4 PHE HA H 4 4.606 4.606 5.051 -0.445 19542 4675 1 19 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.415 2.304 19542 4676 1 19 . 1 1 4 4 PHE H H 4 9.550 9.550 9.277 0.273 19542 4677 1 19 . 1 1 5 5 GLN N N 5 120.517 120.517 121.269 -0.752 19542 4678 1 19 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.400 0.022 19542 4679 1 19 . 1 1 5 5 GLN CA C 5 56.003 56.003 58.092 -2.089 19542 4680 1 19 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.530 3.064 19542 4681 1 19 . 1 1 5 5 GLN H H 5 9.406 9.406 7.789 1.617 19542 4682 1 19 . 1 1 6 6 HIS N N 6 118.478 118.478 115.165 3.313 19542 4683 1 19 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.737 -0.259 19542 4684 1 19 . 1 1 6 6 HIS CA C 6 56.627 56.627 56.170 0.457 19542 4685 1 19 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.433 -2.457 19542 4686 1 19 . 1 1 6 6 HIS H H 6 8.827 8.827 7.693 1.134 19542 4687 1 19 . 1 1 7 7 GLY N N 7 103.072 103.072 104.626 -1.554 19542 4688 1 19 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.444 0.480 19542 4689 1 19 . 1 1 7 7 GLY H H 7 8.440 8.440 8.470 -0.030 19542 4690 1 19 . 1 1 8 8 LYS N N 8 119.909 119.909 120.559 -0.650 19542 4691 1 19 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.798 0.030 19542 4692 1 19 . 1 1 8 8 LYS CB C 8 35.493 35.493 35.318 0.175 19542 4693 1 19 . 1 1 8 8 LYS H H 8 7.703 7.703 7.936 -0.233 19542 4694 1 19 . 1 1 9 9 VAL N N 9 122.232 122.232 122.718 -0.486 19542 4695 1 19 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.637 0.175 19542 4696 1 19 . 1 1 9 9 VAL CA C 9 63.286 63.286 62.619 0.667 19542 4697 1 19 . 1 1 9 9 VAL CB C 9 26.812 26.812 30.656 -3.844 19542 4698 1 19 . 1 1 9 9 VAL H H 9 8.552 8.552 8.354 0.198 19542 4699 1 19 . 1 1 10 10 VAL N N 10 123.963 123.963 124.427 -0.464 19542 4700 1 19 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.606 0.000 19542 4701 1 19 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.193 1.199 19542 4702 1 19 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.116 -0.334 19542 4703 1 19 . 1 1 10 10 VAL H H 10 8.920 8.920 8.470 0.450 19542 4704 1 19 . 1 1 11 11 THR N N 11 118.572 118.572 119.795 -1.223 19542 4705 1 19 . 1 1 11 11 THR HA H 11 4.443 4.443 4.456 -0.013 19542 4706 1 19 . 1 1 11 11 THR CA C 11 62.719 62.719 63.684 -0.965 19542 4707 1 19 . 1 1 11 11 THR CB C 11 68.689 68.689 68.074 0.615 19542 4708 1 19 . 1 1 11 11 THR H H 11 8.517 8.517 8.221 0.296 19542 4709 1 19 . 1 1 12 12 CYS N N 12 126.835 126.835 126.530 0.305 19542 4710 1 19 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.448 0.223 19542 4711 1 19 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.677 -5.641 19542 4712 1 19 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.094 11.798 19542 4713 1 19 . 1 1 12 12 CYS H H 12 8.970 8.970 8.696 0.274 19542 4714 1 19 . 1 1 13 13 HIS N N 13 121.091 121.091 123.563 -2.472 19542 4715 1 19 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.501 0.148 19542 4716 1 19 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.315 -1.817 19542 4717 1 19 . 1 1 13 13 HIS H H 13 9.015 9.015 8.653 0.362 19542 4718 1 19 . 1 1 14 14 ARG N N 14 120.872 120.872 120.223 0.649 19542 4719 1 19 . 1 1 14 14 ARG HA H 14 4.043 4.043 4.015 0.028 19542 4720 1 19 . 1 1 14 14 ARG CA C 14 58.962 58.962 57.919 1.043 19542 4721 1 19 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.832 0.182 19542 4722 1 19 . 1 1 14 14 ARG H H 14 8.689 8.689 7.857 0.832 19542 4723 1 19 . 1 1 15 15 ASP N N 15 121.233 121.233 119.272 1.961 19542 4724 1 19 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.576 -0.073 19542 4725 1 19 . 1 1 15 15 ASP CA C 15 54.306 54.306 56.683 -2.377 19542 4726 1 19 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.240 -2.133 19542 4727 1 19 . 1 1 15 15 ASP H H 15 8.907 8.907 8.077 0.830 19542 4728 1 19 . 1 1 16 16 MET N N 16 119.073 119.073 118.382 0.691 19542 4729 1 19 . 1 1 16 16 MET HA H 16 4.415 4.415 4.617 -0.202 19542 4730 1 19 . 1 1 16 16 MET CA C 16 55.995 55.995 54.482 1.513 19542 4731 1 19 . 1 1 16 16 MET CB C 16 32.662 32.662 31.537 1.125 19542 4732 1 19 . 1 1 16 16 MET H H 16 7.811 7.811 7.610 0.201 19542 4733 1 19 . 1 1 17 17 LYS N N 17 120.187 120.187 122.601 -2.414 19542 4734 1 19 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.025 0.242 19542 4735 1 19 . 1 1 17 17 LYS CA C 17 55.889 55.889 57.210 -1.321 19542 4736 1 19 . 1 1 17 17 LYS CB C 17 34.106 34.106 32.904 1.202 19542 4737 1 19 . 1 1 17 17 LYS H H 17 7.763 7.763 8.193 -0.430 19542 4738 1 19 . 1 1 18 18 PHE N N 18 115.631 115.631 117.609 -1.978 19542 4739 1 19 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.200 -0.087 19542 4740 1 19 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.306 0.665 19542 4741 1 19 . 1 1 18 18 PHE CB C 18 43.018 43.018 41.933 1.085 19542 4742 1 19 . 1 1 18 18 PHE H H 18 8.252 8.252 8.073 0.179 19542 4743 1 19 . 1 1 19 19 CYS N N 19 115.508 115.508 121.612 -6.104 19542 4744 1 19 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.342 0.660 19542 4745 1 19 . 1 1 19 19 CYS CA C 19 52.258 52.258 58.092 -5.834 19542 4746 1 19 . 1 1 19 19 CYS CB C 19 38.627 38.627 27.860 10.767 19542 4747 1 19 . 1 1 19 19 CYS H H 19 9.343 9.343 9.441 -0.098 19542 4748 1 19 . 1 1 20 20 TYR N N 20 128.934 128.934 117.924 11.010 19542 4749 1 19 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.713 0.494 19542 4750 1 19 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.997 0.704 19542 4751 1 19 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.459 1.725 19542 4752 1 19 . 1 1 20 20 TYR H H 20 8.871 8.871 9.097 -0.226 19542 4753 1 19 . 1 1 21 21 HIS N N 21 122.079 122.079 122.166 -0.087 19542 4754 1 19 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.824 0.459 19542 4755 1 19 . 1 1 21 21 HIS CA C 21 54.713 54.713 55.127 -0.414 19542 4756 1 19 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.926 -0.207 19542 4757 1 19 . 1 1 21 21 HIS H H 21 8.797 8.797 9.211 -0.414 19542 4758 1 19 . 1 1 22 22 ASN N N 22 128.444 128.444 128.233 0.211 19542 4759 1 19 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.185 0.661 19542 4760 1 19 . 1 1 22 22 ASN CA C 22 52.512 52.512 51.898 0.614 19542 4761 1 19 . 1 1 22 22 ASN CB C 22 40.821 40.821 40.190 0.631 19542 4762 1 19 . 1 1 22 22 ASN H H 22 9.823 9.823 8.956 0.867 19542 4763 1 19 . 1 1 23 23 THR N N 23 116.691 116.691 119.552 -2.861 19542 4764 1 19 . 1 1 23 23 THR HA H 23 4.604 4.604 4.272 0.332 19542 4765 1 19 . 1 1 23 23 THR CA C 23 57.003 57.003 61.561 -4.558 19542 4766 1 19 . 1 1 23 23 THR CB C 23 69.344 69.344 69.933 -0.589 19542 4767 1 19 . 1 1 23 23 THR H H 23 8.561 8.561 7.677 0.884 19542 4768 1 19 . 1 1 24 24 GLY N N 24 110.763 110.763 114.777 -4.014 19542 4769 1 19 . 1 1 24 24 GLY CA C 24 44.993 44.993 44.735 0.258 19542 4770 1 19 . 1 1 24 24 GLY H H 24 8.608 8.608 8.257 0.351 19542 4771 1 19 . 1 1 25 25 MET N N 25 120.520 120.520 121.920 -1.400 19542 4772 1 19 . 1 1 25 25 MET HA H 25 4.818 4.818 4.395 0.423 19542 4773 1 19 . 1 1 25 25 MET CA C 25 53.892 53.892 52.772 1.120 19542 4774 1 19 . 1 1 25 25 MET CB C 25 32.399 32.399 31.646 0.753 19542 4775 1 19 . 1 1 25 25 MET H H 25 8.418 8.418 8.329 0.089 19542 4776 1 19 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.269 0.108 19542 4777 1 19 . 1 1 26 26 PRO CA C 26 63.841 63.841 63.656 0.185 19542 4778 1 19 . 1 1 26 26 PRO CB C 26 31.750 31.750 30.736 1.014 19542 4779 1 19 . 1 1 27 27 PHE N N 27 118.056 118.056 123.256 -5.200 19542 4780 1 19 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.714 -0.089 19542 4781 1 19 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.155 1.177 19542 4782 1 19 . 1 1 27 27 PHE CB C 27 39.701 39.701 42.821 -3.120 19542 4783 1 19 . 1 1 27 27 PHE H H 27 7.988 7.988 7.872 0.116 19542 4784 1 19 . 1 1 28 28 ARG N N 28 121.294 121.294 124.004 -2.710 19542 4785 1 19 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.248 -0.189 19542 4786 1 19 . 1 1 28 28 ARG CA C 28 57.142 57.142 57.699 -0.557 19542 4787 1 19 . 1 1 28 28 ARG CB C 28 29.711 29.711 29.912 -0.201 19542 4788 1 19 . 1 1 28 28 ARG H H 28 8.333 8.333 8.988 -0.655 19542 4789 1 19 . 1 1 29 29 ASN N N 29 116.243 116.243 116.275 -0.032 19542 4790 1 19 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.371 0.225 19542 4791 1 19 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.744 -0.949 19542 4792 1 19 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.854 0.385 19542 4793 1 19 . 1 1 29 29 ASN H H 29 8.356 8.356 8.956 -0.600 19542 4794 1 19 . 1 1 30 30 LEU N N 30 121.660 121.660 122.547 -0.887 19542 4795 1 19 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.568 -0.123 19542 4796 1 19 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.477 0.726 19542 4797 1 19 . 1 1 30 30 LEU CB C 30 42.982 42.982 43.508 -0.526 19542 4798 1 19 . 1 1 30 30 LEU H H 30 8.028 8.028 7.418 0.610 19542 4799 1 19 . 1 1 31 31 LYS N N 31 120.928 120.928 126.042 -5.114 19542 4800 1 19 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.646 -0.268 19542 4801 1 19 . 1 1 31 31 LYS CA C 31 56.271 56.271 54.190 2.081 19542 4802 1 19 . 1 1 31 31 LYS CB C 31 32.230 32.230 31.877 0.353 19542 4803 1 19 . 1 1 31 31 LYS H H 31 8.306 8.306 8.469 -0.163 19542 4804 1 19 . 1 1 32 32 LEU N N 32 122.843 122.843 121.234 1.609 19542 4805 1 19 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.566 -0.120 19542 4806 1 19 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.762 -0.278 19542 4807 1 19 . 1 1 32 32 LEU CB C 32 43.404 43.404 41.822 1.582 19542 4808 1 19 . 1 1 32 32 LEU H H 32 8.027 8.027 8.212 -0.185 19542 4809 1 19 . 1 1 33 33 ILE N N 33 123.311 123.311 126.322 -3.011 19542 4810 1 19 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.692 -0.309 19542 4811 1 19 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.607 0.988 19542 4812 1 19 . 1 1 33 33 ILE CB C 33 38.303 38.303 40.493 -2.190 19542 4813 1 19 . 1 1 33 33 ILE H H 33 8.327 8.327 8.007 0.320 19542 4814 1 19 . 1 1 34 34 LEU N N 34 128.669 128.669 131.564 -2.895 19542 4815 1 19 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.801 -0.007 19542 4816 1 19 . 1 1 34 34 LEU CB C 34 42.873 42.873 42.105 0.768 19542 4817 1 19 . 1 1 34 34 LEU H H 34 8.880 8.880 9.161 -0.281 19542 4818 1 19 . 1 1 35 35 GLN N N 35 121.600 121.600 121.679 -0.079 19542 4819 1 19 . 1 1 35 35 GLN HA H 35 4.588 4.588 4.887 -0.299 19542 4820 1 19 . 1 1 35 35 GLN CA C 35 61.390 61.390 54.159 7.231 19542 4821 1 19 . 1 1 35 35 GLN CB C 35 33.866 33.866 30.928 2.938 19542 4822 1 19 . 1 1 35 35 GLN H H 35 8.210 8.210 8.467 -0.257 19542 4823 1 19 . 1 1 36 36 GLY N N 36 106.726 106.726 108.869 -2.143 19542 4824 1 19 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.775 2.103 19542 4825 1 19 . 1 1 36 36 GLY H H 36 6.121 6.121 6.975 -0.854 19542 4826 1 19 . 1 1 37 37 CYS N N 37 124.584 124.584 119.212 5.372 19542 4827 1 19 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.409 0.465 19542 4828 1 19 . 1 1 37 37 CYS CA C 37 55.955 55.955 58.120 -2.165 19542 4829 1 19 . 1 1 37 37 CYS CB C 37 48.202 48.202 29.823 18.379 19542 4830 1 19 . 1 1 37 37 CYS H H 37 8.505 8.505 8.161 0.344 19542 4831 1 19 . 1 1 38 38 SER N N 38 115.036 115.036 117.533 -2.497 19542 4832 1 19 . 1 1 38 38 SER HA H 38 4.980 4.980 5.016 -0.036 19542 4833 1 19 . 1 1 38 38 SER CA C 38 58.792 58.792 56.626 2.166 19542 4834 1 19 . 1 1 38 38 SER CB C 38 65.971 65.971 66.112 -0.141 19542 4835 1 19 . 1 1 38 38 SER H H 38 9.749 9.749 9.334 0.415 19542 4836 1 19 . 1 1 39 39 SER N N 39 117.276 117.276 116.853 0.423 19542 4837 1 19 . 1 1 39 39 SER HA H 39 4.827 4.827 4.928 -0.101 19542 4838 1 19 . 1 1 39 39 SER CA C 39 60.040 60.040 58.890 1.150 19542 4839 1 19 . 1 1 39 39 SER CB C 39 63.784 63.784 63.607 0.177 19542 4840 1 19 . 1 1 39 39 SER H H 39 9.161 9.161 8.797 0.364 19542 4841 1 19 . 1 1 40 40 SER N N 40 115.041 115.041 113.860 1.181 19542 4842 1 19 . 1 1 40 40 SER HA H 40 4.660 4.660 4.886 -0.226 19542 4843 1 19 . 1 1 40 40 SER CA C 40 55.868 55.868 57.037 -1.169 19542 4844 1 19 . 1 1 40 40 SER CB C 40 64.868 64.868 66.018 -1.150 19542 4845 1 19 . 1 1 40 40 SER H H 40 7.911 7.911 7.583 0.328 19542 4846 1 19 . 1 1 41 41 CYS N N 41 124.146 124.146 120.822 3.324 19542 4847 1 19 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.388 -0.079 19542 4848 1 19 . 1 1 41 41 CYS CA C 41 57.567 57.567 57.880 -0.313 19542 4849 1 19 . 1 1 41 41 CYS CB C 41 40.000 40.000 28.337 11.663 19542 4850 1 19 . 1 1 41 41 CYS H H 41 8.067 8.067 8.193 -0.126 19542 4851 1 19 . 1 1 42 42 SER N N 42 118.590 118.590 121.042 -2.452 19542 4852 1 19 . 1 1 42 42 SER HA H 42 4.611 4.611 4.386 0.225 19542 4853 1 19 . 1 1 42 42 SER CA C 42 59.020 59.020 58.126 0.894 19542 4854 1 19 . 1 1 42 42 SER CB C 42 64.112 64.112 63.195 0.917 19542 4855 1 19 . 1 1 42 42 SER H H 42 8.491 8.491 8.535 -0.044 19542 4856 1 19 . 1 1 43 43 GLU N N 43 118.830 118.830 125.978 -7.148 19542 4857 1 19 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.307 0.342 19542 4858 1 19 . 1 1 43 43 GLU CA C 43 56.856 56.856 56.323 0.533 19542 4859 1 19 . 1 1 43 43 GLU CB C 43 29.206 29.206 29.826 -0.620 19542 4860 1 19 . 1 1 43 43 GLU H H 43 8.861 8.861 8.429 0.432 19542 4861 1 19 . 1 1 44 44 THR N N 44 117.954 117.954 118.857 -0.903 19542 4862 1 19 . 1 1 44 44 THR HA H 44 4.619 4.619 4.327 0.292 19542 4863 1 19 . 1 1 44 44 THR CB C 44 72.341 72.341 69.199 3.142 19542 4864 1 19 . 1 1 44 44 THR H H 44 9.030 9.030 8.088 0.942 19542 4865 1 19 . 1 1 45 45 GLU N N 45 127.100 127.100 120.214 6.886 19542 4866 1 19 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.279 -0.185 19542 4867 1 19 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.872 0.062 19542 4868 1 19 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.496 -2.487 19542 4869 1 19 . 1 1 45 45 GLU H H 45 8.837 8.837 8.665 0.172 19542 4870 1 19 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.530 0.372 19542 4871 1 19 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.235 -0.991 19542 4872 1 19 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.052 1.001 19542 4873 1 19 . 1 1 46 46 ASN H H 46 8.018 8.018 8.295 -0.277 19542 4874 1 19 . 1 1 47 47 ASN N N 47 120.765 120.765 117.897 2.868 19542 4875 1 19 . 1 1 47 47 ASN HA H 47 5.362 5.362 4.879 0.483 19542 4876 1 19 . 1 1 47 47 ASN CA C 47 53.979 53.979 53.163 0.816 19542 4877 1 19 . 1 1 47 47 ASN CB C 47 41.749 41.749 38.703 3.046 19542 4878 1 19 . 1 1 47 47 ASN H H 47 7.835 7.835 8.127 -0.292 19542 4879 1 19 . 1 1 48 48 LYS N N 48 123.576 123.576 127.062 -3.486 19542 4880 1 19 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.663 0.179 19542 4881 1 19 . 1 1 48 48 LYS CB C 48 34.398 34.398 34.087 0.311 19542 4882 1 19 . 1 1 48 48 LYS H H 48 8.548 8.548 8.729 -0.181 19542 4883 1 19 . 1 1 49 49 CYS N N 49 116.141 116.141 116.510 -0.369 19542 4884 1 19 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.917 -0.364 19542 4885 1 19 . 1 1 49 49 CYS CA C 49 53.386 53.386 55.848 -2.462 19542 4886 1 19 . 1 1 49 49 CYS CB C 49 44.935 44.935 29.398 15.537 19542 4887 1 19 . 1 1 49 49 CYS H H 49 8.873 8.873 8.480 0.393 19542 4888 1 19 . 1 1 50 50 CYS N N 50 118.484 118.484 120.112 -1.628 19542 4889 1 19 . 1 1 50 50 CYS HA H 50 5.265 5.265 5.120 0.145 19542 4890 1 19 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.068 -1.085 19542 4891 1 19 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.925 15.186 19542 4892 1 19 . 1 1 50 50 CYS H H 50 9.389 9.389 9.451 -0.062 19542 4893 1 19 . 1 1 51 51 SER N N 51 115.213 115.213 116.592 -1.379 19542 4894 1 19 . 1 1 51 51 SER HA H 51 5.016 5.016 4.769 0.247 19542 4895 1 19 . 1 1 51 51 SER CA C 51 58.118 58.118 58.306 -0.188 19542 4896 1 19 . 1 1 51 51 SER CB C 51 64.457 64.457 63.115 1.341 19542 4897 1 19 . 1 1 51 51 SER H H 51 9.290 9.290 8.657 0.633 19542 4898 1 19 . 1 1 52 52 THR N N 52 112.156 112.156 115.967 -3.811 19542 4899 1 19 . 1 1 52 52 THR HA H 52 4.692 4.692 4.473 0.219 19542 4900 1 19 . 1 1 52 52 THR CA C 52 59.835 59.835 61.221 -1.386 19542 4901 1 19 . 1 1 52 52 THR CB C 52 71.872 71.872 71.817 0.055 19542 4902 1 19 . 1 1 52 52 THR H H 52 7.624 7.624 7.468 0.156 19542 4903 1 19 . 1 1 53 53 ASP N N 53 119.869 119.869 122.939 -3.070 19542 4904 1 19 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.645 0.325 19542 4905 1 19 . 1 1 53 53 ASP CA C 53 55.485 55.485 55.479 0.006 19542 4906 1 19 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.679 0.043 19542 4907 1 19 . 1 1 53 53 ASP H H 53 8.410 8.410 8.720 -0.310 19542 4908 1 19 . 1 1 54 54 ARG N N 54 111.677 111.677 120.403 -8.726 19542 4909 1 19 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.673 -0.488 19542 4910 1 19 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.833 0.129 19542 4911 1 19 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.208 1.221 19542 4912 1 19 . 1 1 54 54 ARG H H 54 9.306 9.306 8.877 0.429 19542 4913 1 19 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.378 0.183 19542 4914 1 19 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.639 -1.825 19542 4915 1 19 . 1 1 55 55 CYS CB C 55 46.236 46.236 26.830 19.406 19542 4916 1 19 . 1 1 55 55 CYS H H 55 7.995 7.995 7.948 0.047 19542 4917 1 19 . 1 1 56 56 ASN N N 56 121.881 121.881 117.797 4.084 19542 4918 1 19 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.613 0.197 19542 4919 1 19 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.953 -0.587 19542 4920 1 19 . 1 1 56 56 ASN CB C 56 37.837 37.837 37.228 0.609 19542 4921 1 19 . 1 1 56 56 ASN H H 56 8.755 8.755 8.623 0.132 19542 4922 1 20 . 1 1 2 2 LYS N N 2 126.352 126.352 121.024 5.328 19542 4923 1 20 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.242 0.148 19542 4924 1 20 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.743 -0.341 19542 4925 1 20 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.141 -3.407 19542 4926 1 20 . 1 1 2 2 LYS H H 2 8.381 8.381 8.294 0.087 19542 4927 1 20 . 1 1 3 3 CYS N N 3 117.974 117.974 120.622 -2.648 19542 4928 1 20 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.530 0.429 19542 4929 1 20 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.325 -7.053 19542 4930 1 20 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.236 9.803 19542 4931 1 20 . 1 1 3 3 CYS H H 3 8.394 8.394 8.735 -0.341 19542 4932 1 20 . 1 1 4 4 PHE N N 4 120.016 120.016 121.283 -1.267 19542 4933 1 20 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.862 -0.257 19542 4934 1 20 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.206 2.513 19542 4935 1 20 . 1 1 4 4 PHE H H 4 9.550 9.550 9.214 0.336 19542 4936 1 20 . 1 1 5 5 GLN N N 5 120.517 120.517 124.138 -3.621 19542 4937 1 20 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.393 0.029 19542 4938 1 20 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.903 -1.900 19542 4939 1 20 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.777 2.817 19542 4940 1 20 . 1 1 5 5 GLN H H 5 9.406 9.406 8.059 1.347 19542 4941 1 20 . 1 1 6 6 HIS N N 6 118.478 118.478 116.098 2.380 19542 4942 1 20 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.594 -0.116 19542 4943 1 20 . 1 1 6 6 HIS CA C 6 56.627 56.627 56.395 0.232 19542 4944 1 20 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.623 -2.647 19542 4945 1 20 . 1 1 6 6 HIS H H 6 8.827 8.827 7.772 1.055 19542 4946 1 20 . 1 1 7 7 GLY N N 7 103.072 103.072 107.584 -4.512 19542 4947 1 20 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.040 0.884 19542 4948 1 20 . 1 1 7 7 GLY H H 7 8.440 8.440 8.505 -0.065 19542 4949 1 20 . 1 1 8 8 LYS N N 8 119.909 119.909 120.301 -0.392 19542 4950 1 20 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.886 -0.058 19542 4951 1 20 . 1 1 8 8 LYS CB C 8 35.493 35.493 34.907 0.586 19542 4952 1 20 . 1 1 8 8 LYS H H 8 7.703 7.703 7.976 -0.273 19542 4953 1 20 . 1 1 9 9 VAL N N 9 122.232 122.232 122.512 -0.280 19542 4954 1 20 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.665 0.147 19542 4955 1 20 . 1 1 9 9 VAL CA C 9 63.286 63.286 62.637 0.649 19542 4956 1 20 . 1 1 9 9 VAL CB C 9 26.812 26.812 31.174 -4.362 19542 4957 1 20 . 1 1 9 9 VAL H H 9 8.552 8.552 8.431 0.121 19542 4958 1 20 . 1 1 10 10 VAL N N 10 123.963 123.963 123.766 0.197 19542 4959 1 20 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.685 -0.079 19542 4960 1 20 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.154 1.238 19542 4961 1 20 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.422 -0.640 19542 4962 1 20 . 1 1 10 10 VAL H H 10 8.920 8.920 8.744 0.176 19542 4963 1 20 . 1 1 11 11 THR N N 11 118.572 118.572 119.576 -1.004 19542 4964 1 20 . 1 1 11 11 THR HA H 11 4.443 4.443 4.289 0.154 19542 4965 1 20 . 1 1 11 11 THR CA C 11 62.719 62.719 63.081 -0.361 19542 4966 1 20 . 1 1 11 11 THR CB C 11 68.689 68.689 68.273 0.416 19542 4967 1 20 . 1 1 11 11 THR H H 11 8.517 8.517 8.261 0.256 19542 4968 1 20 . 1 1 12 12 CYS N N 12 126.835 126.835 126.361 0.474 19542 4969 1 20 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.518 0.153 19542 4970 1 20 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.720 -5.684 19542 4971 1 20 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.845 11.047 19542 4972 1 20 . 1 1 12 12 CYS H H 12 8.970 8.970 8.501 0.469 19542 4973 1 20 . 1 1 13 13 HIS N N 13 121.091 121.091 121.976 -0.885 19542 4974 1 20 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.583 0.066 19542 4975 1 20 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.692 -2.194 19542 4976 1 20 . 1 1 13 13 HIS H H 13 9.015 9.015 8.488 0.527 19542 4977 1 20 . 1 1 14 14 ARG N N 14 120.872 120.872 122.233 -1.361 19542 4978 1 20 . 1 1 14 14 ARG HA H 14 4.043 4.043 3.877 0.166 19542 4979 1 20 . 1 1 14 14 ARG CA C 14 58.962 58.962 58.989 -0.026 19542 4980 1 20 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.785 0.230 19542 4981 1 20 . 1 1 14 14 ARG H H 14 8.689 8.689 8.193 0.496 19542 4982 1 20 . 1 1 15 15 ASP N N 15 121.233 121.233 120.125 1.108 19542 4983 1 20 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.564 -0.061 19542 4984 1 20 . 1 1 15 15 ASP CA C 15 54.306 54.306 56.904 -2.598 19542 4985 1 20 . 1 1 15 15 ASP CB C 15 39.107 39.107 40.891 -1.784 19542 4986 1 20 . 1 1 15 15 ASP H H 15 8.907 8.907 7.960 0.947 19542 4987 1 20 . 1 1 16 16 MET N N 16 119.073 119.073 118.153 0.920 19542 4988 1 20 . 1 1 16 16 MET HA H 16 4.415 4.415 4.698 -0.283 19542 4989 1 20 . 1 1 16 16 MET CA C 16 55.995 55.995 54.902 1.093 19542 4990 1 20 . 1 1 16 16 MET CB C 16 32.662 32.662 31.797 0.865 19542 4991 1 20 . 1 1 16 16 MET H H 16 7.811 7.811 7.743 0.068 19542 4992 1 20 . 1 1 17 17 LYS N N 17 120.187 120.187 121.521 -1.334 19542 4993 1 20 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.296 -0.029 19542 4994 1 20 . 1 1 17 17 LYS CA C 17 55.889 55.889 56.106 -0.217 19542 4995 1 20 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.594 0.512 19542 4996 1 20 . 1 1 17 17 LYS H H 17 7.763 7.763 8.256 -0.493 19542 4997 1 20 . 1 1 18 18 PHE N N 18 115.631 115.631 118.569 -2.938 19542 4998 1 20 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.109 0.004 19542 4999 1 20 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.525 0.446 19542 5000 1 20 . 1 1 18 18 PHE CB C 18 43.018 43.018 41.908 1.110 19542 5001 1 20 . 1 1 18 18 PHE H H 18 8.252 8.252 8.013 0.239 19542 5002 1 20 . 1 1 19 19 CYS N N 19 115.508 115.508 122.540 -7.032 19542 5003 1 20 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.025 0.977 19542 5004 1 20 . 1 1 19 19 CYS CA C 19 52.258 52.258 58.299 -6.041 19542 5005 1 20 . 1 1 19 19 CYS CB C 19 38.627 38.627 27.630 10.997 19542 5006 1 20 . 1 1 19 19 CYS H H 19 9.343 9.343 9.441 -0.098 19542 5007 1 20 . 1 1 20 20 TYR N N 20 128.934 128.934 118.520 10.414 19542 5008 1 20 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.846 0.361 19542 5009 1 20 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.936 0.765 19542 5010 1 20 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.231 1.953 19542 5011 1 20 . 1 1 20 20 TYR H H 20 8.871 8.871 9.044 -0.173 19542 5012 1 20 . 1 1 21 21 HIS N N 21 122.079 122.079 124.054 -1.975 19542 5013 1 20 . 1 1 21 21 HIS HA H 21 5.283 5.283 5.053 0.230 19542 5014 1 20 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.273 0.440 19542 5015 1 20 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.859 -0.140 19542 5016 1 20 . 1 1 21 21 HIS H H 21 8.797 8.797 9.397 -0.600 19542 5017 1 20 . 1 1 22 22 ASN N N 22 128.444 128.444 128.004 0.440 19542 5018 1 20 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.013 0.833 19542 5019 1 20 . 1 1 22 22 ASN CA C 22 52.512 52.512 53.129 -0.617 19542 5020 1 20 . 1 1 22 22 ASN CB C 22 40.821 40.821 40.529 0.292 19542 5021 1 20 . 1 1 22 22 ASN H H 22 9.823 9.823 9.146 0.677 19542 5022 1 20 . 1 1 23 23 THR N N 23 116.691 116.691 118.844 -2.153 19542 5023 1 20 . 1 1 23 23 THR HA H 23 4.604 4.604 4.013 0.591 19542 5024 1 20 . 1 1 23 23 THR CA C 23 57.003 57.003 62.928 -5.925 19542 5025 1 20 . 1 1 23 23 THR CB C 23 69.344 69.344 68.994 0.350 19542 5026 1 20 . 1 1 23 23 THR H H 23 8.561 8.561 8.722 -0.161 19542 5027 1 20 . 1 1 24 24 GLY N N 24 110.763 110.763 110.481 0.282 19542 5028 1 20 . 1 1 24 24 GLY CA C 24 44.993 44.993 44.804 0.189 19542 5029 1 20 . 1 1 24 24 GLY H H 24 8.608 8.608 8.034 0.574 19542 5030 1 20 . 1 1 25 25 MET N N 25 120.520 120.520 119.728 0.792 19542 5031 1 20 . 1 1 25 25 MET HA H 25 4.818 4.818 4.631 0.187 19542 5032 1 20 . 1 1 25 25 MET CA C 25 53.892 53.892 52.401 1.491 19542 5033 1 20 . 1 1 25 25 MET CB C 25 32.399 32.399 35.138 -2.739 19542 5034 1 20 . 1 1 25 25 MET H H 25 8.418 8.418 8.343 0.075 19542 5035 1 20 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.435 -0.058 19542 5036 1 20 . 1 1 26 26 PRO CA C 26 63.841 63.841 62.765 1.076 19542 5037 1 20 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.432 0.318 19542 5038 1 20 . 1 1 27 27 PHE N N 27 118.056 118.056 124.587 -6.531 19542 5039 1 20 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.838 -0.213 19542 5040 1 20 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.034 1.298 19542 5041 1 20 . 1 1 27 27 PHE CB C 27 39.701 39.701 43.419 -3.718 19542 5042 1 20 . 1 1 27 27 PHE H H 27 7.988 7.988 7.888 0.100 19542 5043 1 20 . 1 1 28 28 ARG N N 28 121.294 121.294 122.631 -1.337 19542 5044 1 20 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.113 -0.054 19542 5045 1 20 . 1 1 28 28 ARG CA C 28 57.142 57.142 57.720 -0.578 19542 5046 1 20 . 1 1 28 28 ARG CB C 28 29.711 29.711 29.625 0.086 19542 5047 1 20 . 1 1 28 28 ARG H H 28 8.333 8.333 8.948 -0.615 19542 5048 1 20 . 1 1 29 29 ASN N N 29 116.243 116.243 115.360 0.883 19542 5049 1 20 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.390 0.206 19542 5050 1 20 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.282 -0.487 19542 5051 1 20 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.880 0.359 19542 5052 1 20 . 1 1 29 29 ASN H H 29 8.356 8.356 8.874 -0.518 19542 5053 1 20 . 1 1 30 30 LEU N N 30 121.660 121.660 121.286 0.374 19542 5054 1 20 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.620 -0.175 19542 5055 1 20 . 1 1 30 30 LEU CA C 30 55.203 55.203 53.986 1.217 19542 5056 1 20 . 1 1 30 30 LEU CB C 30 42.982 42.982 42.397 0.585 19542 5057 1 20 . 1 1 30 30 LEU H H 30 8.028 8.028 7.915 0.113 19542 5058 1 20 . 1 1 31 31 LYS N N 31 120.928 120.928 127.302 -6.374 19542 5059 1 20 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.402 -0.024 19542 5060 1 20 . 1 1 31 31 LYS CA C 31 56.271 56.271 55.025 1.246 19542 5061 1 20 . 1 1 31 31 LYS CB C 31 32.230 32.230 31.284 0.946 19542 5062 1 20 . 1 1 31 31 LYS H H 31 8.306 8.306 8.526 -0.220 19542 5063 1 20 . 1 1 32 32 LEU N N 32 122.843 122.843 128.245 -5.402 19542 5064 1 20 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.550 -0.104 19542 5065 1 20 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.865 -0.381 19542 5066 1 20 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.727 0.677 19542 5067 1 20 . 1 1 32 32 LEU H H 32 8.027 8.027 7.982 0.045 19542 5068 1 20 . 1 1 33 33 ILE N N 33 123.311 123.311 127.132 -3.821 19542 5069 1 20 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.517 -0.134 19542 5070 1 20 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.417 1.178 19542 5071 1 20 . 1 1 33 33 ILE CB C 33 38.303 38.303 39.517 -1.214 19542 5072 1 20 . 1 1 33 33 ILE H H 33 8.327 8.327 8.040 0.287 19542 5073 1 20 . 1 1 34 34 LEU N N 34 128.669 128.669 129.171 -0.502 19542 5074 1 20 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.863 -0.069 19542 5075 1 20 . 1 1 34 34 LEU CB C 34 42.873 42.873 42.079 0.794 19542 5076 1 20 . 1 1 34 34 LEU H H 34 8.880 8.880 8.582 0.298 19542 5077 1 20 . 1 1 35 35 GLN N N 35 121.600 121.600 122.474 -0.874 19542 5078 1 20 . 1 1 35 35 GLN HA H 35 4.588 4.588 5.127 -0.539 19542 5079 1 20 . 1 1 35 35 GLN CA C 35 61.390 61.390 55.134 6.256 19542 5080 1 20 . 1 1 35 35 GLN CB C 35 33.866 33.866 30.280 3.586 19542 5081 1 20 . 1 1 35 35 GLN H H 35 8.210 8.210 8.473 -0.263 19542 5082 1 20 . 1 1 36 36 GLY N N 36 106.726 106.726 110.183 -3.457 19542 5083 1 20 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.571 2.307 19542 5084 1 20 . 1 1 36 36 GLY H H 36 6.121 6.121 7.867 -1.746 19542 5085 1 20 . 1 1 37 37 CYS N N 37 124.584 124.584 118.851 5.733 19542 5086 1 20 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.209 0.665 19542 5087 1 20 . 1 1 37 37 CYS CA C 37 55.955 55.955 58.042 -2.087 19542 5088 1 20 . 1 1 37 37 CYS CB C 37 48.202 48.202 30.495 17.707 19542 5089 1 20 . 1 1 37 37 CYS H H 37 8.505 8.505 8.527 -0.022 19542 5090 1 20 . 1 1 38 38 SER N N 38 115.036 115.036 118.452 -3.416 19542 5091 1 20 . 1 1 38 38 SER HA H 38 4.980 4.980 5.103 -0.123 19542 5092 1 20 . 1 1 38 38 SER CA C 38 58.792 58.792 56.677 2.115 19542 5093 1 20 . 1 1 38 38 SER CB C 38 65.971 65.971 66.232 -0.261 19542 5094 1 20 . 1 1 38 38 SER H H 38 9.749 9.749 9.386 0.363 19542 5095 1 20 . 1 1 39 39 SER N N 39 117.276 117.276 118.933 -1.657 19542 5096 1 20 . 1 1 39 39 SER HA H 39 4.827 4.827 4.814 0.013 19542 5097 1 20 . 1 1 39 39 SER CA C 39 60.040 60.040 59.575 0.465 19542 5098 1 20 . 1 1 39 39 SER CB C 39 63.784 63.784 63.772 0.012 19542 5099 1 20 . 1 1 39 39 SER H H 39 9.161 9.161 8.847 0.314 19542 5100 1 20 . 1 1 40 40 SER N N 40 115.041 115.041 114.224 0.817 19542 5101 1 20 . 1 1 40 40 SER HA H 40 4.660 4.660 4.566 0.094 19542 5102 1 20 . 1 1 40 40 SER CA C 40 55.868 55.868 56.770 -0.902 19542 5103 1 20 . 1 1 40 40 SER CB C 40 64.868 64.868 65.111 -0.243 19542 5104 1 20 . 1 1 40 40 SER H H 40 7.911 7.911 7.597 0.314 19542 5105 1 20 . 1 1 41 41 CYS N N 41 124.146 124.146 122.806 1.340 19542 5106 1 20 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.533 -0.224 19542 5107 1 20 . 1 1 41 41 CYS CA C 41 57.567 57.567 58.232 -0.665 19542 5108 1 20 . 1 1 41 41 CYS CB C 41 40.000 40.000 26.776 13.224 19542 5109 1 20 . 1 1 41 41 CYS H H 41 8.067 8.067 8.036 0.031 19542 5110 1 20 . 1 1 42 42 SER N N 42 118.590 118.590 124.527 -5.937 19542 5111 1 20 . 1 1 42 42 SER HA H 42 4.611 4.611 4.379 0.232 19542 5112 1 20 . 1 1 42 42 SER CA C 42 59.020 59.020 57.421 1.599 19542 5113 1 20 . 1 1 42 42 SER CB C 42 64.112 64.112 62.444 1.668 19542 5114 1 20 . 1 1 42 42 SER H H 42 8.491 8.491 8.767 -0.276 19542 5115 1 20 . 1 1 43 43 GLU N N 43 118.830 118.830 126.872 -8.042 19542 5116 1 20 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.118 0.531 19542 5117 1 20 . 1 1 43 43 GLU CA C 43 56.856 56.856 57.571 -0.715 19542 5118 1 20 . 1 1 43 43 GLU CB C 43 29.206 29.206 28.944 0.262 19542 5119 1 20 . 1 1 43 43 GLU H H 43 8.861 8.861 8.124 0.737 19542 5120 1 20 . 1 1 44 44 THR N N 44 117.954 117.954 117.757 0.197 19542 5121 1 20 . 1 1 44 44 THR HA H 44 4.619 4.619 4.532 0.087 19542 5122 1 20 . 1 1 44 44 THR CB C 44 72.341 72.341 71.159 1.182 19542 5123 1 20 . 1 1 44 44 THR H H 44 9.030 9.030 7.864 1.166 19542 5124 1 20 . 1 1 45 45 GLU N N 45 127.100 127.100 120.731 6.369 19542 5125 1 20 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.277 -0.183 19542 5126 1 20 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.187 0.747 19542 5127 1 20 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.622 -2.613 19542 5128 1 20 . 1 1 45 45 GLU H H 45 8.837 8.837 8.672 0.165 19542 5129 1 20 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.643 0.259 19542 5130 1 20 . 1 1 46 46 ASN CA C 46 53.244 53.244 53.109 0.135 19542 5131 1 20 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.010 1.043 19542 5132 1 20 . 1 1 46 46 ASN H H 46 8.018 8.018 8.317 -0.299 19542 5133 1 20 . 1 1 47 47 ASN N N 47 120.765 120.765 117.705 3.060 19542 5134 1 20 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.165 0.197 19542 5135 1 20 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.460 1.519 19542 5136 1 20 . 1 1 47 47 ASN CB C 47 41.749 41.749 41.242 0.507 19542 5137 1 20 . 1 1 47 47 ASN H H 47 7.835 7.835 7.373 0.462 19542 5138 1 20 . 1 1 48 48 LYS N N 48 123.576 123.576 126.581 -3.005 19542 5139 1 20 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.667 0.175 19542 5140 1 20 . 1 1 48 48 LYS CB C 48 34.398 34.398 33.972 0.426 19542 5141 1 20 . 1 1 48 48 LYS H H 48 8.548 8.548 9.012 -0.464 19542 5142 1 20 . 1 1 49 49 CYS N N 49 116.141 116.141 119.722 -3.581 19542 5143 1 20 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.828 -0.275 19542 5144 1 20 . 1 1 49 49 CYS CA C 49 53.386 53.386 55.888 -2.502 19542 5145 1 20 . 1 1 49 49 CYS CB C 49 44.935 44.935 28.099 16.836 19542 5146 1 20 . 1 1 49 49 CYS H H 49 8.873 8.873 8.715 0.158 19542 5147 1 20 . 1 1 50 50 CYS N N 50 118.484 118.484 122.693 -4.209 19542 5148 1 20 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.938 0.327 19542 5149 1 20 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.706 -1.724 19542 5150 1 20 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.473 15.639 19542 5151 1 20 . 1 1 50 50 CYS H H 50 9.389 9.389 9.319 0.070 19542 5152 1 20 . 1 1 51 51 SER N N 51 115.213 115.213 116.357 -1.144 19542 5153 1 20 . 1 1 51 51 SER HA H 51 5.016 5.016 4.800 0.216 19542 5154 1 20 . 1 1 51 51 SER CA C 51 58.118 58.118 58.095 0.023 19542 5155 1 20 . 1 1 51 51 SER CB C 51 64.457 64.457 62.698 1.759 19542 5156 1 20 . 1 1 51 51 SER H H 51 9.290 9.290 8.569 0.721 19542 5157 1 20 . 1 1 52 52 THR N N 52 112.156 112.156 118.338 -6.182 19542 5158 1 20 . 1 1 52 52 THR HA H 52 4.692 4.692 4.481 0.211 19542 5159 1 20 . 1 1 52 52 THR CA C 52 59.835 59.835 61.120 -1.285 19542 5160 1 20 . 1 1 52 52 THR CB C 52 71.872 71.872 71.420 0.452 19542 5161 1 20 . 1 1 52 52 THR H H 52 7.624 7.624 7.313 0.311 19542 5162 1 20 . 1 1 53 53 ASP N N 53 119.869 119.869 121.317 -1.448 19542 5163 1 20 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.459 0.511 19542 5164 1 20 . 1 1 53 53 ASP CA C 53 55.485 55.485 54.990 0.495 19542 5165 1 20 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.957 -0.235 19542 5166 1 20 . 1 1 53 53 ASP H H 53 8.410 8.410 8.621 -0.211 19542 5167 1 20 . 1 1 54 54 ARG N N 54 111.677 111.677 116.173 -4.496 19542 5168 1 20 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.663 -0.478 19542 5169 1 20 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.765 0.197 19542 5170 1 20 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.291 1.138 19542 5171 1 20 . 1 1 54 54 ARG H H 54 9.306 9.306 8.572 0.734 19542 5172 1 20 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.416 0.145 19542 5173 1 20 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.268 -1.454 19542 5174 1 20 . 1 1 55 55 CYS CB C 55 46.236 46.236 26.629 19.607 19542 5175 1 20 . 1 1 55 55 CYS H H 55 7.995 7.995 7.821 0.174 19542 5176 1 20 . 1 1 56 56 ASN N N 56 121.881 121.881 116.729 5.152 19542 5177 1 20 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.662 0.148 19542 5178 1 20 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.310 0.056 19542 5179 1 20 . 1 1 56 56 ASN CB C 56 37.837 37.837 37.143 0.694 19542 5180 1 20 . 1 1 56 56 ASN H H 56 8.755 8.755 8.303 0.452 19542 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 52 3.594 0.959 3.497 19542 2 1 1 "Average Difference" HA 58 0.308 -0.084 0.299 19542 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19542 4 1 1 "Average Difference" CA 49 2.390 0.278 2.398 19542 5 1 1 "Average Difference" CB 52 5.827 -2.163 5.463 19542 6 1 1 "Average Difference" HN 54 0.462 -0.102 0.455 19542 7 1 2 "Average Difference" N 52 3.845 0.789 3.799 19542 8 1 2 "Average Difference" HA 58 0.281 -0.100 0.265 19542 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19542 10 1 2 "Average Difference" CA 49 2.024 0.132 2.040 19542 11 1 2 "Average Difference" CB 52 6.009 -2.366 5.578 19542 12 1 2 "Average Difference" HN 54 0.501 -0.123 0.490 19542 13 1 3 "Average Difference" N 52 3.832 0.920 3.757 19542 14 1 3 "Average Difference" HA 58 0.295 -0.100 0.280 19542 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19542 16 1 3 "Average Difference" CA 49 2.264 0.211 2.278 19542 17 1 3 "Average Difference" CB 52 5.952 -2.268 5.556 19542 18 1 3 "Average Difference" HN 54 0.564 -0.161 0.545 19542 19 1 4 "Average Difference" N 52 3.450 0.750 3.400 19542 20 1 4 "Average Difference" HA 58 0.297 -0.109 0.279 19542 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19542 22 1 4 "Average Difference" CA 49 2.179 0.288 2.183 19542 23 1 4 "Average Difference" CB 52 5.907 -2.204 5.534 19542 24 1 4 "Average Difference" HN 54 0.557 -0.159 0.539 19542 25 1 5 "Average Difference" N 52 3.317 0.697 3.275 19542 26 1 5 "Average Difference" HA 58 0.314 -0.068 0.309 19542 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19542 28 1 5 "Average Difference" CA 49 2.129 0.279 2.132 19542 29 1 5 "Average Difference" CB 52 5.830 -2.240 5.435 19542 30 1 5 "Average Difference" HN 54 0.543 -0.126 0.533 19542 31 1 6 "Average Difference" N 52 3.654 0.868 3.584 19542 32 1 6 "Average Difference" HA 58 0.289 -0.047 0.287 19542 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19542 34 1 6 "Average Difference" CA 49 2.237 0.164 2.254 19542 35 1 6 "Average Difference" CB 52 5.969 -2.185 5.609 19542 36 1 6 "Average Difference" HN 54 0.540 -0.118 0.532 19542 37 1 7 "Average Difference" N 52 3.833 1.292 3.644 19542 38 1 7 "Average Difference" HA 58 0.313 -0.111 0.295 19542 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19542 40 1 7 "Average Difference" CA 49 2.422 0.393 2.414 19542 41 1 7 "Average Difference" CB 52 5.912 -2.307 5.497 19542 42 1 7 "Average Difference" HN 54 0.465 -0.071 0.464 19542 43 1 8 "Average Difference" N 52 3.370 0.639 3.342 19542 44 1 8 "Average Difference" HA 58 0.311 -0.098 0.298 19542 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19542 46 1 8 "Average Difference" CA 49 2.356 0.347 2.354 19542 47 1 8 "Average Difference" CB 52 5.853 -2.124 5.507 19542 48 1 8 "Average Difference" HN 54 0.528 -0.118 0.519 19542 49 1 9 "Average Difference" N 52 3.621 1.034 3.504 19542 50 1 9 "Average Difference" HA 58 0.290 -0.049 0.288 19542 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19542 52 1 9 "Average Difference" CA 49 2.092 0.193 2.105 19542 53 1 9 "Average Difference" CB 52 5.895 -2.374 5.448 19542 54 1 9 "Average Difference" HN 54 0.610 -0.193 0.584 19542 55 1 10 "Average Difference" N 52 3.316 0.976 3.200 19542 56 1 10 "Average Difference" HA 58 0.244 -0.049 0.241 19542 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19542 58 1 10 "Average Difference" CA 49 2.108 0.227 2.117 19542 59 1 10 "Average Difference" CB 52 5.901 -2.187 5.534 19542 60 1 10 "Average Difference" HN 54 0.534 -0.120 0.525 19542 61 1 11 "Average Difference" N 52 3.619 0.828 3.558 19542 62 1 11 "Average Difference" HA 58 0.313 -0.086 0.304 19542 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19542 64 1 11 "Average Difference" CA 49 2.143 0.252 2.151 19542 65 1 11 "Average Difference" CB 52 5.949 -2.390 5.501 19542 66 1 11 "Average Difference" HN 54 0.559 -0.128 0.549 19542 67 1 12 "Average Difference" N 52 3.630 0.821 3.570 19542 68 1 12 "Average Difference" HA 58 0.280 -0.057 0.276 19542 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19542 70 1 12 "Average Difference" CA 49 2.184 0.204 2.197 19542 71 1 12 "Average Difference" CB 52 5.925 -2.294 5.516 19542 72 1 12 "Average Difference" HN 54 0.515 -0.135 0.502 19542 73 1 13 "Average Difference" N 52 3.569 1.272 3.367 19542 74 1 13 "Average Difference" HA 58 0.294 -0.097 0.280 19542 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19542 76 1 13 "Average Difference" CA 49 2.342 0.381 2.335 19542 77 1 13 "Average Difference" CB 52 5.873 -2.291 5.461 19542 78 1 13 "Average Difference" HN 54 0.546 -0.174 0.522 19542 79 1 14 "Average Difference" N 52 3.786 1.123 3.651 19542 80 1 14 "Average Difference" HA 58 0.293 -0.101 0.277 19542 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19542 82 1 14 "Average Difference" CA 49 2.381 0.334 2.382 19542 83 1 14 "Average Difference" CB 52 5.855 -2.341 5.419 19542 84 1 14 "Average Difference" HN 54 0.497 -0.165 0.473 19542 85 1 15 "Average Difference" N 52 3.682 1.006 3.576 19542 86 1 15 "Average Difference" HA 58 0.267 -0.051 0.265 19542 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19542 88 1 15 "Average Difference" CA 49 2.292 0.381 2.283 19542 89 1 15 "Average Difference" CB 52 5.729 -2.188 5.346 19542 90 1 15 "Average Difference" HN 54 0.454 -0.109 0.445 19542 91 1 16 "Average Difference" N 52 3.686 0.891 3.612 19542 92 1 16 "Average Difference" HA 58 0.277 -0.077 0.269 19542 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19542 94 1 16 "Average Difference" CA 49 2.172 0.215 2.184 19542 95 1 16 "Average Difference" CB 52 5.939 -2.239 5.554 19542 96 1 16 "Average Difference" HN 54 0.557 -0.095 0.554 19542 97 1 17 "Average Difference" N 52 3.882 1.211 3.724 19542 98 1 17 "Average Difference" HA 58 0.301 -0.057 0.298 19542 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19542 100 1 17 "Average Difference" CA 49 2.270 0.390 2.260 19542 101 1 17 "Average Difference" CB 52 5.860 -2.263 5.458 19542 102 1 17 "Average Difference" HN 54 0.494 -0.092 0.490 19542 103 1 18 "Average Difference" N 52 3.772 0.758 3.731 19542 104 1 18 "Average Difference" HA 58 0.300 -0.075 0.293 19542 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19542 106 1 18 "Average Difference" CA 49 2.080 0.217 2.090 19542 107 1 18 "Average Difference" CB 52 5.951 -2.341 5.525 19542 108 1 18 "Average Difference" HN 54 0.544 -0.140 0.531 19542 109 1 19 "Average Difference" N 52 3.457 0.786 3.399 19542 110 1 19 "Average Difference" HA 58 0.290 -0.082 0.281 19542 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19542 112 1 19 "Average Difference" CA 49 2.267 0.313 2.268 19542 113 1 19 "Average Difference" CB 52 5.880 -2.284 5.472 19542 114 1 19 "Average Difference" HN 54 0.492 -0.165 0.468 19542 115 1 20 "Average Difference" N 52 3.748 1.088 3.622 19542 116 1 20 "Average Difference" HA 58 0.307 -0.094 0.294 19542 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19542 118 1 20 "Average Difference" CA 49 2.276 0.290 2.281 19542 119 1 20 "Average Difference" CB 52 5.986 -2.246 5.603 19542 120 1 20 "Average Difference" HN 54 0.524 -0.141 0.510 19542 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 19542 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS N N 2 126.352 126.352 121.498 4.854 19542 2 1 . 1 1 2 2 LYS HA H 2 5.390 5.390 5.294 0.096 19542 3 1 . 1 1 2 2 LYS CA C 2 54.402 54.402 54.654 -0.252 19542 4 1 . 1 1 2 2 LYS CB C 2 29.734 29.734 33.062 -3.328 19542 5 1 . 1 1 2 2 LYS H H 2 8.381 8.381 8.582 -0.201 19542 6 1 . 1 1 3 3 CYS N N 3 117.974 117.974 120.752 -2.778 19542 7 1 . 1 1 3 3 CYS HA H 3 4.959 4.959 4.568 0.391 19542 8 1 . 1 1 3 3 CYS CA C 3 51.272 51.272 58.083 -6.811 19542 9 1 . 1 1 3 3 CYS CB C 3 42.039 42.039 32.088 9.951 19542 10 1 . 1 1 3 3 CYS H H 3 8.394 8.394 8.758 -0.364 19542 11 1 . 1 1 4 4 PHE N N 4 120.016 120.016 121.045 -1.029 19542 12 1 . 1 1 4 4 PHE HA H 4 4.606 4.606 4.939 -0.333 19542 13 1 . 1 1 4 4 PHE CB C 4 39.719 39.719 37.091 2.628 19542 14 1 . 1 1 4 4 PHE H H 4 9.550 9.550 9.244 0.306 19542 15 1 . 1 1 5 5 GLN N N 5 120.517 120.517 122.891 -2.374 19542 16 1 . 1 1 5 5 GLN HA H 5 4.422 4.422 4.276 0.146 19542 17 1 . 1 1 5 5 GLN CA C 5 56.003 56.003 57.821 -1.818 19542 18 1 . 1 1 5 5 GLN CB C 5 32.594 32.594 29.651 2.943 19542 19 1 . 1 1 5 5 GLN H H 5 9.406 9.406 7.938 1.468 19542 20 1 . 1 1 6 6 HIS N N 6 118.478 118.478 116.362 2.116 19542 21 1 . 1 1 6 6 HIS HA H 6 4.478 4.478 4.679 -0.201 19542 22 1 . 1 1 6 6 HIS CA C 6 56.627 56.627 56.021 0.606 19542 23 1 . 1 1 6 6 HIS CB C 6 27.976 27.976 30.443 -2.467 19542 24 1 . 1 1 6 6 HIS H H 6 8.827 8.827 7.605 1.222 19542 25 1 . 1 1 7 7 GLY N N 7 103.072 103.072 106.785 -3.713 19542 26 1 . 1 1 7 7 GLY CA C 7 45.924 45.924 45.391 0.533 19542 27 1 . 1 1 7 7 GLY H H 7 8.440 8.440 8.546 -0.106 19542 28 1 . 1 1 8 8 LYS N N 8 119.909 119.909 120.764 -0.855 19542 29 1 . 1 1 8 8 LYS HA H 8 4.828 4.828 4.825 0.003 19542 30 1 . 1 1 8 8 LYS CB C 8 35.493 35.493 34.726 0.767 19542 31 1 . 1 1 8 8 LYS H H 8 7.703 7.703 7.897 -0.194 19542 32 1 . 1 1 9 9 VAL N N 9 122.232 122.232 122.863 -0.631 19542 33 1 . 1 1 9 9 VAL HA H 9 3.812 3.812 3.744 0.068 19542 34 1 . 1 1 9 9 VAL CA C 9 63.286 63.286 62.802 0.484 19542 35 1 . 1 1 9 9 VAL CB C 9 26.812 26.812 30.822 -4.010 19542 36 1 . 1 1 9 9 VAL H H 9 8.552 8.552 8.471 0.081 19542 37 1 . 1 1 10 10 VAL N N 10 123.963 123.963 124.576 -0.613 19542 38 1 . 1 1 10 10 VAL HA H 10 4.606 4.606 4.679 -0.073 19542 39 1 . 1 1 10 10 VAL CA C 10 60.392 60.392 59.325 1.067 19542 40 1 . 1 1 10 10 VAL CB C 10 34.782 34.782 35.321 -0.539 19542 41 1 . 1 1 10 10 VAL H H 10 8.920 8.920 8.662 0.258 19542 42 1 . 1 1 11 11 THR N N 11 118.572 118.572 119.658 -1.086 19542 43 1 . 1 1 11 11 THR HA H 11 4.443 4.443 4.507 -0.064 19542 44 1 . 1 1 11 11 THR CA C 11 62.719 62.719 62.984 -0.265 19542 45 1 . 1 1 11 11 THR CB C 11 68.689 68.689 68.519 0.170 19542 46 1 . 1 1 11 11 THR H H 11 8.517 8.517 8.208 0.309 19542 47 1 . 1 1 12 12 CYS N N 12 126.835 126.835 126.267 0.568 19542 48 1 . 1 1 12 12 CYS HA H 12 4.671 4.671 4.464 0.207 19542 49 1 . 1 1 12 12 CYS CA C 12 53.036 53.036 58.668 -5.632 19542 50 1 . 1 1 12 12 CYS CB C 12 38.892 38.892 27.663 11.229 19542 51 1 . 1 1 12 12 CYS H H 12 8.970 8.970 8.619 0.351 19542 52 1 . 1 1 13 13 HIS N N 13 121.091 121.091 122.230 -1.139 19542 53 1 . 1 1 13 13 HIS HA H 13 4.649 4.649 4.493 0.156 19542 54 1 . 1 1 13 13 HIS CB C 13 29.498 29.498 31.360 -1.862 19542 55 1 . 1 1 13 13 HIS H H 13 9.015 9.015 8.565 0.450 19542 56 1 . 1 1 14 14 ARG N N 14 120.872 120.872 121.189 -0.317 19542 57 1 . 1 1 14 14 ARG HA H 14 4.043 4.043 3.990 0.053 19542 58 1 . 1 1 14 14 ARG CA C 14 58.962 58.962 58.219 0.743 19542 59 1 . 1 1 14 14 ARG CB C 14 30.014 30.014 29.754 0.260 19542 60 1 . 1 1 14 14 ARG H H 14 8.689 8.689 8.069 0.620 19542 61 1 . 1 1 15 15 ASP N N 15 121.233 121.233 118.443 2.790 19542 62 1 . 1 1 15 15 ASP HA H 15 4.503 4.503 4.636 -0.133 19542 63 1 . 1 1 15 15 ASP CA C 15 54.306 54.306 55.836 -1.529 19542 64 1 . 1 1 15 15 ASP CB C 15 39.107 39.107 41.432 -2.325 19542 65 1 . 1 1 15 15 ASP H H 15 8.907 8.907 7.823 1.084 19542 66 1 . 1 1 16 16 MET N N 16 119.073 119.073 118.775 0.298 19542 67 1 . 1 1 16 16 MET HA H 16 4.415 4.415 4.620 -0.205 19542 68 1 . 1 1 16 16 MET CA C 16 55.995 55.995 54.872 1.123 19542 69 1 . 1 1 16 16 MET CB C 16 32.662 32.662 31.696 0.966 19542 70 1 . 1 1 16 16 MET H H 16 7.811 7.811 7.686 0.125 19542 71 1 . 1 1 17 17 LYS N N 17 120.187 120.187 122.411 -2.224 19542 72 1 . 1 1 17 17 LYS HA H 17 4.267 4.267 4.188 0.079 19542 73 1 . 1 1 17 17 LYS CA C 17 55.889 55.889 56.866 -0.977 19542 74 1 . 1 1 17 17 LYS CB C 17 34.106 34.106 33.535 0.571 19542 75 1 . 1 1 17 17 LYS H H 17 7.763 7.763 8.290 -0.527 19542 76 1 . 1 1 18 18 PHE N N 18 115.631 115.631 117.261 -1.630 19542 77 1 . 1 1 18 18 PHE HA H 18 5.113 5.113 5.130 -0.017 19542 78 1 . 1 1 18 18 PHE CA C 18 56.971 56.971 56.359 0.612 19542 79 1 . 1 1 18 18 PHE CB C 18 43.018 43.018 42.723 0.295 19542 80 1 . 1 1 18 18 PHE H H 18 8.252 8.252 8.139 0.113 19542 81 1 . 1 1 19 19 CYS N N 19 115.508 115.508 120.783 -5.275 19542 82 1 . 1 1 19 19 CYS HA H 19 6.002 6.002 5.248 0.754 19542 83 1 . 1 1 19 19 CYS CA C 19 52.258 52.258 58.000 -5.742 19542 84 1 . 1 1 19 19 CYS CB C 19 38.627 38.627 27.807 10.821 19542 85 1 . 1 1 19 19 CYS H H 19 9.343 9.343 9.407 -0.064 19542 86 1 . 1 1 20 20 TYR N N 20 128.934 128.934 118.883 10.051 19542 87 1 . 1 1 20 20 TYR HA H 20 6.207 6.207 5.767 0.440 19542 88 1 . 1 1 20 20 TYR CA C 20 55.701 55.701 54.920 0.781 19542 89 1 . 1 1 20 20 TYR CB C 20 43.184 43.184 41.202 1.982 19542 90 1 . 1 1 20 20 TYR H H 20 8.871 8.871 9.147 -0.276 19542 91 1 . 1 1 21 21 HIS N N 21 122.079 122.079 122.981 -0.902 19542 92 1 . 1 1 21 21 HIS HA H 21 5.283 5.283 4.949 0.334 19542 93 1 . 1 1 21 21 HIS CA C 21 54.713 54.713 54.384 0.329 19542 94 1 . 1 1 21 21 HIS CB C 21 31.719 31.719 31.829 -0.110 19542 95 1 . 1 1 21 21 HIS H H 21 8.797 8.797 9.255 -0.458 19542 96 1 . 1 1 22 22 ASN N N 22 128.444 128.444 127.994 0.450 19542 97 1 . 1 1 22 22 ASN HA H 22 5.846 5.846 5.271 0.575 19542 98 1 . 1 1 22 22 ASN CA C 22 52.512 52.512 52.313 0.199 19542 99 1 . 1 1 22 22 ASN CB C 22 40.821 40.821 40.532 0.289 19542 100 1 . 1 1 22 22 ASN H H 22 9.823 9.823 8.933 0.890 19542 101 1 . 1 1 23 23 THR N N 23 116.691 116.691 118.775 -2.084 19542 102 1 . 1 1 23 23 THR HA H 23 4.604 4.604 4.492 0.112 19542 103 1 . 1 1 23 23 THR CA C 23 57.003 57.003 61.608 -4.605 19542 104 1 . 1 1 23 23 THR CB C 23 69.344 69.344 69.791 -0.447 19542 105 1 . 1 1 23 23 THR H H 23 8.561 8.561 8.250 0.311 19542 106 1 . 1 1 24 24 GLY N N 24 110.763 110.763 110.535 0.228 19542 107 1 . 1 1 24 24 GLY CA C 24 44.993 44.993 44.889 0.104 19542 108 1 . 1 1 24 24 GLY H H 24 8.608 8.608 8.261 0.347 19542 109 1 . 1 1 25 25 MET N N 25 120.520 120.520 121.123 -0.602 19542 110 1 . 1 1 25 25 MET HA H 25 4.818 4.818 4.610 0.208 19542 111 1 . 1 1 25 25 MET CA C 25 53.892 53.892 52.817 1.075 19542 112 1 . 1 1 25 25 MET CB C 25 32.399 32.399 32.972 -0.573 19542 113 1 . 1 1 25 25 MET H H 25 8.418 8.418 8.164 0.254 19542 114 1 . 1 1 26 26 PRO HA H 26 4.377 4.377 4.385 -0.008 19542 115 1 . 1 1 26 26 PRO CA C 26 63.841 63.841 62.959 0.882 19542 116 1 . 1 1 26 26 PRO CB C 26 31.750 31.750 31.362 0.388 19542 117 1 . 1 1 27 27 PHE N N 27 118.056 118.056 123.441 -5.385 19542 118 1 . 1 1 27 27 PHE HA H 27 4.625 4.625 4.724 -0.099 19542 119 1 . 1 1 27 27 PHE CA C 27 57.332 57.332 56.445 0.887 19542 120 1 . 1 1 27 27 PHE CB C 27 39.701 39.701 41.952 -2.251 19542 121 1 . 1 1 27 27 PHE H H 27 7.988 7.988 8.052 -0.064 19542 122 1 . 1 1 28 28 ARG N N 28 121.294 121.294 123.682 -2.388 19542 123 1 . 1 1 28 28 ARG HA H 28 4.059 4.059 4.292 -0.233 19542 124 1 . 1 1 28 28 ARG CA C 28 57.142 57.142 57.073 0.069 19542 125 1 . 1 1 28 28 ARG CB C 28 29.711 29.711 30.124 -0.413 19542 126 1 . 1 1 28 28 ARG H H 28 8.333 8.333 8.923 -0.590 19542 127 1 . 1 1 29 29 ASN N N 29 116.243 116.243 116.587 -0.344 19542 128 1 . 1 1 29 29 ASN HA H 29 4.596 4.596 4.385 0.211 19542 129 1 . 1 1 29 29 ASN CA C 29 53.795 53.795 54.286 -0.491 19542 130 1 . 1 1 29 29 ASN CB C 29 38.239 38.239 37.937 0.302 19542 131 1 . 1 1 29 29 ASN H H 29 8.356 8.356 8.924 -0.568 19542 132 1 . 1 1 30 30 LEU N N 30 121.660 121.660 120.582 1.078 19542 133 1 . 1 1 30 30 LEU HA H 30 4.445 4.445 4.592 -0.147 19542 134 1 . 1 1 30 30 LEU CA C 30 55.203 55.203 54.639 0.564 19542 135 1 . 1 1 30 30 LEU CB C 30 42.982 42.982 43.291 -0.309 19542 136 1 . 1 1 30 30 LEU H H 30 8.028 8.028 7.650 0.378 19542 137 1 . 1 1 31 31 LYS N N 31 120.928 120.928 126.484 -5.556 19542 138 1 . 1 1 31 31 LYS HA H 31 4.378 4.378 4.497 -0.119 19542 139 1 . 1 1 31 31 LYS CA C 31 56.271 56.271 55.015 1.256 19542 140 1 . 1 1 31 31 LYS CB C 31 32.230 32.230 32.047 0.183 19542 141 1 . 1 1 31 31 LYS H H 31 8.306 8.306 8.444 -0.138 19542 142 1 . 1 1 32 32 LEU N N 32 122.843 122.843 126.328 -3.485 19542 143 1 . 1 1 32 32 LEU HA H 32 4.446 4.446 4.488 -0.042 19542 144 1 . 1 1 32 32 LEU CA C 32 54.484 54.484 54.662 -0.178 19542 145 1 . 1 1 32 32 LEU CB C 32 43.404 43.404 42.629 0.775 19542 146 1 . 1 1 32 32 LEU H H 32 8.027 8.027 8.397 -0.370 19542 147 1 . 1 1 33 33 ILE N N 33 123.311 123.311 127.134 -3.823 19542 148 1 . 1 1 33 33 ILE HA H 33 4.383 4.383 4.442 -0.059 19542 149 1 . 1 1 33 33 ILE CA C 33 60.595 60.595 59.697 0.897 19542 150 1 . 1 1 33 33 ILE CB C 33 38.303 38.303 38.263 0.040 19542 151 1 . 1 1 33 33 ILE H H 33 8.327 8.327 8.237 0.090 19542 152 1 . 1 1 34 34 LEU N N 34 128.669 128.669 129.425 -0.756 19542 153 1 . 1 1 34 34 LEU HA H 34 4.794 4.794 4.726 0.068 19542 154 1 . 1 1 34 34 LEU CB C 34 42.873 42.873 41.729 1.144 19542 155 1 . 1 1 34 34 LEU H H 34 8.880 8.880 8.699 0.180 19542 156 1 . 1 1 35 35 GLN N N 35 121.600 121.600 120.796 0.804 19542 157 1 . 1 1 35 35 GLN HA H 35 4.588 4.588 5.014 -0.426 19542 158 1 . 1 1 35 35 GLN CA C 35 61.390 61.390 54.925 6.465 19542 159 1 . 1 1 35 35 GLN CB C 35 33.866 33.866 30.519 3.347 19542 160 1 . 1 1 35 35 GLN H H 35 8.210 8.210 8.150 0.060 19542 161 1 . 1 1 36 36 GLY N N 36 106.726 106.726 109.529 -2.803 19542 162 1 . 1 1 36 36 GLY CA C 36 45.878 45.878 43.554 2.324 19542 163 1 . 1 1 36 36 GLY H H 36 6.121 6.121 7.393 -1.272 19542 164 1 . 1 1 37 37 CYS N N 37 124.584 124.584 118.601 5.983 19542 165 1 . 1 1 37 37 CYS HA H 37 5.874 5.874 5.326 0.548 19542 166 1 . 1 1 37 37 CYS CA C 37 55.955 55.955 57.991 -2.036 19542 167 1 . 1 1 37 37 CYS CB C 37 48.202 48.202 29.916 18.286 19542 168 1 . 1 1 37 37 CYS H H 37 8.505 8.505 8.479 0.026 19542 169 1 . 1 1 38 38 SER N N 38 115.036 115.036 118.130 -3.094 19542 170 1 . 1 1 38 38 SER HA H 38 4.980 4.980 5.038 -0.058 19542 171 1 . 1 1 38 38 SER CA C 38 58.792 58.792 56.706 2.086 19542 172 1 . 1 1 38 38 SER CB C 38 65.971 65.971 65.853 0.118 19542 173 1 . 1 1 38 38 SER H H 38 9.749 9.749 9.332 0.417 19542 174 1 . 1 1 39 39 SER N N 39 117.276 117.276 119.527 -2.251 19542 175 1 . 1 1 39 39 SER HA H 39 4.827 4.827 4.930 -0.103 19542 176 1 . 1 1 39 39 SER CA C 39 60.040 60.040 59.727 0.313 19542 177 1 . 1 1 39 39 SER CB C 39 63.784 63.784 63.787 -0.003 19542 178 1 . 1 1 39 39 SER H H 39 9.161 9.161 8.885 0.276 19542 179 1 . 1 1 40 40 SER N N 40 115.041 115.041 114.971 0.070 19542 180 1 . 1 1 40 40 SER HA H 40 4.660 4.660 4.773 -0.113 19542 181 1 . 1 1 40 40 SER CA C 40 55.868 55.868 57.191 -1.323 19542 182 1 . 1 1 40 40 SER CB C 40 64.868 64.868 65.589 -0.721 19542 183 1 . 1 1 40 40 SER H H 40 7.911 7.911 7.731 0.180 19542 184 1 . 1 1 41 41 CYS N N 41 124.146 124.146 121.022 3.124 19542 185 1 . 1 1 41 41 CYS HA H 41 4.309 4.309 4.455 -0.146 19542 186 1 . 1 1 41 41 CYS CA C 41 57.567 57.567 57.859 -0.292 19542 187 1 . 1 1 41 41 CYS CB C 41 40.000 40.000 28.352 11.648 19542 188 1 . 1 1 41 41 CYS H H 41 8.067 8.067 8.229 -0.162 19542 189 1 . 1 1 42 42 SER N N 42 118.590 118.590 121.146 -2.556 19542 190 1 . 1 1 42 42 SER HA H 42 4.611 4.611 4.474 0.137 19542 191 1 . 1 1 42 42 SER CA C 42 59.020 59.020 57.419 1.601 19542 192 1 . 1 1 42 42 SER CB C 42 64.112 64.112 63.637 0.475 19542 193 1 . 1 1 42 42 SER H H 42 8.491 8.491 8.562 -0.071 19542 194 1 . 1 1 43 43 GLU N N 43 118.830 118.830 125.756 -6.926 19542 195 1 . 1 1 43 43 GLU HA H 43 4.649 4.649 4.249 0.400 19542 196 1 . 1 1 43 43 GLU CA C 43 56.856 56.856 56.797 0.059 19542 197 1 . 1 1 43 43 GLU CB C 43 29.206 29.206 29.128 0.078 19542 198 1 . 1 1 43 43 GLU H H 43 8.861 8.861 8.590 0.271 19542 199 1 . 1 1 44 44 THR N N 44 117.954 117.954 116.608 1.346 19542 200 1 . 1 1 44 44 THR HA H 44 4.619 4.619 4.519 0.100 19542 201 1 . 1 1 44 44 THR CB C 44 72.341 72.341 70.628 1.713 19542 202 1 . 1 1 44 44 THR H H 44 9.030 9.030 7.965 1.065 19542 203 1 . 1 1 45 45 GLU N N 45 127.100 127.100 120.803 6.297 19542 204 1 . 1 1 45 45 GLU HA H 45 4.094 4.094 4.218 -0.124 19542 205 1 . 1 1 45 45 GLU CA C 45 58.934 58.934 58.165 0.769 19542 206 1 . 1 1 45 45 GLU CB C 45 27.009 27.009 29.803 -2.794 19542 207 1 . 1 1 45 45 GLU H H 45 8.837 8.837 8.733 0.104 19542 208 1 . 1 1 46 46 ASN HA H 46 4.902 4.902 4.546 0.356 19542 209 1 . 1 1 46 46 ASN CA C 46 53.244 53.244 54.716 -1.472 19542 210 1 . 1 1 46 46 ASN CB C 46 40.053 40.053 39.086 0.967 19542 211 1 . 1 1 46 46 ASN H H 46 8.018 8.018 8.120 -0.102 19542 212 1 . 1 1 47 47 ASN N N 47 120.765 120.765 118.346 2.419 19542 213 1 . 1 1 47 47 ASN HA H 47 5.362 5.362 5.124 0.238 19542 214 1 . 1 1 47 47 ASN CA C 47 53.979 53.979 52.592 1.387 19542 215 1 . 1 1 47 47 ASN CB C 47 41.749 41.749 39.738 2.011 19542 216 1 . 1 1 47 47 ASN H H 47 7.835 7.835 7.873 -0.038 19542 217 1 . 1 1 48 48 LYS N N 48 123.576 123.576 126.950 -3.374 19542 218 1 . 1 1 48 48 LYS HA H 48 4.842 4.842 4.706 0.136 19542 219 1 . 1 1 48 48 LYS CB C 48 34.398 34.398 34.147 0.251 19542 220 1 . 1 1 48 48 LYS H H 48 8.548 8.548 8.770 -0.222 19542 221 1 . 1 1 49 49 CYS N N 49 116.141 116.141 120.040 -3.899 19542 222 1 . 1 1 49 49 CYS HA H 49 5.553 5.553 5.770 -0.217 19542 223 1 . 1 1 49 49 CYS CA C 49 53.386 53.386 56.729 -3.343 19542 224 1 . 1 1 49 49 CYS CB C 49 44.935 44.935 28.205 16.730 19542 225 1 . 1 1 49 49 CYS H H 49 8.873 8.873 8.590 0.283 19542 226 1 . 1 1 50 50 CYS N N 50 118.484 118.484 121.806 -3.322 19542 227 1 . 1 1 50 50 CYS HA H 50 5.265 5.265 4.985 0.280 19542 228 1 . 1 1 50 50 CYS CA C 50 55.983 55.983 57.284 -1.301 19542 229 1 . 1 1 50 50 CYS CB C 50 46.111 46.111 30.747 15.364 19542 230 1 . 1 1 50 50 CYS H H 50 9.389 9.389 9.428 -0.039 19542 231 1 . 1 1 51 51 SER N N 51 115.213 115.213 116.780 -1.567 19542 232 1 . 1 1 51 51 SER HA H 51 5.016 5.016 4.795 0.222 19542 233 1 . 1 1 51 51 SER CA C 51 58.118 58.118 57.934 0.184 19542 234 1 . 1 1 51 51 SER CB C 51 64.457 64.457 62.846 1.610 19542 235 1 . 1 1 51 51 SER H H 51 9.290 9.290 8.654 0.636 19542 236 1 . 1 1 52 52 THR N N 52 112.156 112.156 117.756 -5.600 19542 237 1 . 1 1 52 52 THR HA H 52 4.692 4.692 4.489 0.203 19542 238 1 . 1 1 52 52 THR CA C 52 59.835 59.835 61.197 -1.362 19542 239 1 . 1 1 52 52 THR CB C 52 71.872 71.872 71.595 0.277 19542 240 1 . 1 1 52 52 THR H H 52 7.624 7.624 7.459 0.165 19542 241 1 . 1 1 53 53 ASP N N 53 119.869 119.869 122.542 -2.673 19542 242 1 . 1 1 53 53 ASP HA H 53 4.970 4.970 4.432 0.538 19542 243 1 . 1 1 53 53 ASP CA C 53 55.485 55.485 55.588 -0.103 19542 244 1 . 1 1 53 53 ASP CB C 53 40.722 40.722 40.815 -0.093 19542 245 1 . 1 1 53 53 ASP H H 53 8.410 8.410 8.604 -0.194 19542 246 1 . 1 1 54 54 ARG N N 54 111.677 111.677 118.120 -6.443 19542 247 1 . 1 1 54 54 ARG HA H 54 3.185 3.185 3.608 -0.423 19542 248 1 . 1 1 54 54 ARG CA C 54 57.962 57.962 57.484 0.479 19542 249 1 . 1 1 54 54 ARG CB C 54 28.429 28.429 27.163 1.267 19542 250 1 . 1 1 54 54 ARG H H 54 9.306 9.306 8.703 0.603 19542 251 1 . 1 1 55 55 CYS HA H 55 4.561 4.561 4.454 0.107 19542 252 1 . 1 1 55 55 CYS CA C 55 57.814 57.814 59.377 -1.563 19542 253 1 . 1 1 55 55 CYS CB C 55 46.236 46.236 27.265 18.971 19542 254 1 . 1 1 55 55 CYS H H 55 7.995 7.995 7.905 0.090 19542 255 1 . 1 1 56 56 ASN N N 56 121.881 121.881 119.509 2.372 19542 256 1 . 1 1 56 56 ASN HA H 56 4.810 4.810 4.656 0.154 19542 257 1 . 1 1 56 56 ASN CA C 56 52.366 52.366 52.591 -0.225 19542 258 1 . 1 1 56 56 ASN CB C 56 37.837 37.837 36.638 1.199 19542 259 1 . 1 1 56 56 ASN H H 56 8.755 8.755 8.635 0.120 19542 stop_ save_