data_18980 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18980 _Entry.PDB_ID 2M3Z 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 18980 _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 GLN N N 2 125.073 125.073 122.862 2.211 18980 2 1 1 . 1 1 2 2 GLN HA H 2 4.309 4.309 4.784 -0.475 18980 3 1 1 . 1 1 2 2 GLN CA C 2 52.755 52.755 55.077 -2.322 18980 4 1 1 . 1 1 2 2 GLN CB C 2 26.728 26.728 31.216 -4.488 18980 5 1 1 . 1 1 2 2 GLN H H 2 8.503 8.503 8.187 0.316 18980 6 1 1 . 1 1 3 3 LYS N N 3 123.202 123.202 120.653 2.549 18980 7 1 1 . 1 1 3 3 LYS HA H 3 4.271 4.271 4.537 -0.266 18980 8 1 1 . 1 1 3 3 LYS CA C 3 53.658 53.658 56.574 -2.916 18980 9 1 1 . 1 1 3 3 LYS CB C 3 30.442 30.442 33.429 -2.987 18980 10 1 1 . 1 1 3 3 LYS H H 3 8.414 8.414 8.990 -0.576 18980 11 1 1 . 1 1 4 4 GLY N N 4 109.574 109.574 107.706 1.868 18980 12 1 1 . 1 1 4 4 GLY CA C 4 42.455 42.455 43.971 -1.516 18980 13 1 1 . 1 1 4 4 GLY H H 4 8.394 8.394 7.797 0.597 18980 14 1 1 . 1 1 5 5 ASN N N 5 118.311 118.311 116.916 1.395 18980 15 1 1 . 1 1 5 5 ASN HA H 5 4.625 4.625 4.499 0.126 18980 16 1 1 . 1 1 5 5 ASN CA C 5 50.146 50.146 54.313 -4.167 18980 17 1 1 . 1 1 5 5 ASN CB C 5 36.059 36.059 38.298 -2.239 18980 18 1 1 . 1 1 5 5 ASN H H 5 8.240 8.240 8.221 0.019 18980 19 1 1 . 1 1 6 6 PHE N N 6 120.460 120.460 118.289 2.171 18980 20 1 1 . 1 1 6 6 PHE HA H 6 4.541 4.541 4.767 -0.226 18980 21 1 1 . 1 1 6 6 PHE CA C 6 55.112 55.112 56.453 -1.341 18980 22 1 1 . 1 1 6 6 PHE CB C 6 36.457 36.457 40.053 -3.596 18980 23 1 1 . 1 1 6 6 PHE H H 6 8.164 8.164 7.457 0.707 18980 24 1 1 . 1 1 7 7 ARG N N 7 121.606 121.606 120.983 0.623 18980 25 1 1 . 1 1 7 7 ARG HA H 7 4.193 4.193 4.238 -0.045 18980 26 1 1 . 1 1 7 7 ARG CA C 7 53.586 53.586 56.443 -2.857 18980 27 1 1 . 1 1 7 7 ARG CB C 7 27.788 27.788 28.252 -0.464 18980 28 1 1 . 1 1 7 7 ARG H H 7 8.184 8.184 8.893 -0.709 18980 29 1 1 . 1 1 8 8 ASN N N 8 118.773 118.773 119.084 -0.311 18980 30 1 1 . 1 1 8 8 ASN HA H 8 4.570 4.570 4.698 -0.128 18980 31 1 1 . 1 1 8 8 ASN CA C 8 50.518 50.518 54.276 -3.758 18980 32 1 1 . 1 1 8 8 ASN CB C 8 35.894 35.894 39.691 -3.797 18980 33 1 1 . 1 1 8 8 ASN H H 8 8.294 8.294 8.557 -0.263 18980 34 1 1 . 1 1 9 9 GLN N N 9 120.522 120.522 118.207 2.315 18980 35 1 1 . 1 1 9 9 GLN HA H 9 4.245 4.245 4.344 -0.099 18980 36 1 1 . 1 1 9 9 GLN CA C 9 53.202 53.202 56.005 -2.803 18980 37 1 1 . 1 1 9 9 GLN CB C 9 26.688 26.688 29.983 -3.295 18980 38 1 1 . 1 1 9 9 GLN H H 9 8.218 8.218 7.842 0.376 18980 39 1 1 . 1 1 10 10 ARG N N 10 121.826 121.826 122.877 -1.051 18980 40 1 1 . 1 1 10 10 ARG HA H 10 4.244 4.244 4.104 0.140 18980 41 1 1 . 1 1 10 10 ARG CA C 10 53.208 53.208 57.575 -4.367 18980 42 1 1 . 1 1 10 10 ARG CB C 10 27.939 27.939 29.891 -1.952 18980 43 1 1 . 1 1 10 10 ARG H H 10 8.273 8.273 8.166 0.107 18980 44 1 1 . 1 1 11 11 LYS N N 11 122.737 122.737 123.915 -1.178 18980 45 1 1 . 1 1 11 11 LYS HA H 11 4.263 4.263 3.936 0.328 18980 46 1 1 . 1 1 11 11 LYS CA C 11 53.578 53.578 58.604 -5.026 18980 47 1 1 . 1 1 11 11 LYS CB C 11 30.323 30.323 31.649 -1.326 18980 48 1 1 . 1 1 11 11 LYS H H 11 8.299 8.299 8.716 -0.417 18980 49 1 1 . 1 1 12 12 THR N N 12 116.442 116.442 113.321 3.121 18980 50 1 1 . 1 1 12 12 THR HA H 12 4.254 4.254 4.511 -0.257 18980 51 1 1 . 1 1 12 12 THR CA C 12 58.726 58.726 61.232 -2.506 18980 52 1 1 . 1 1 12 12 THR CB C 12 66.915 66.915 70.959 -4.044 18980 53 1 1 . 1 1 12 12 THR H H 12 8.088 8.088 7.971 0.117 18980 54 1 1 . 1 1 13 13 VAL N N 13 122.626 122.626 118.549 4.077 18980 55 1 1 . 1 1 13 13 VAL HA H 13 4.021 4.021 4.394 -0.373 18980 56 1 1 . 1 1 13 13 VAL CA C 13 58.497 58.497 59.824 -1.327 18980 57 1 1 . 1 1 13 13 VAL CB C 13 30.485 30.485 35.175 -4.690 18980 58 1 1 . 1 1 13 13 VAL H H 13 8.209 8.209 8.193 0.016 18980 59 1 1 . 1 1 14 14 LYS N N 14 123.504 123.504 128.343 -4.839 18980 60 1 1 . 1 1 14 14 LYS HA H 14 4.412 4.412 4.521 -0.109 18980 61 1 1 . 1 1 14 14 LYS CA C 14 51.599 51.599 54.413 -2.814 18980 62 1 1 . 1 1 14 14 LYS CB C 14 31.540 31.540 34.785 -3.244 18980 63 1 1 . 1 1 14 14 LYS H H 14 8.012 8.012 8.102 -0.090 18980 64 1 1 . 1 1 15 15 CYS N N 15 129.731 129.731 126.200 3.531 18980 65 1 1 . 1 1 15 15 CYS HA H 15 4.215 4.215 4.141 0.074 18980 66 1 1 . 1 1 15 15 CYS CA C 15 56.967 56.967 58.988 -2.021 18980 67 1 1 . 1 1 15 15 CYS CB C 15 27.829 27.829 27.534 0.295 18980 68 1 1 . 1 1 15 15 CYS H H 15 8.256 8.256 8.439 -0.183 18980 69 1 1 . 1 1 16 16 PHE N N 16 128.836 128.836 123.754 5.082 18980 70 1 1 . 1 1 16 16 PHE HA H 16 4.615 4.615 4.359 0.256 18980 71 1 1 . 1 1 16 16 PHE CA C 16 56.137 56.137 57.907 -1.770 18980 72 1 1 . 1 1 16 16 PHE CB C 16 37.103 37.103 38.884 -1.781 18980 73 1 1 . 1 1 16 16 PHE H H 16 9.299 9.299 8.449 0.850 18980 74 1 1 . 1 1 17 17 ASN N N 17 118.280 118.280 117.272 1.008 18980 75 1 1 . 1 1 17 17 ASN HA H 17 3.816 3.816 4.178 -0.362 18980 76 1 1 . 1 1 17 17 ASN CA C 17 53.075 53.075 55.157 -2.082 18980 77 1 1 . 1 1 17 17 ASN CB C 17 36.212 36.212 38.629 -2.417 18980 78 1 1 . 1 1 17 17 ASN H H 17 9.156 9.156 7.564 1.592 18980 79 1 1 . 1 1 18 18 CYS N N 18 116.876 116.876 113.681 3.195 18980 80 1 1 . 1 1 18 18 CYS HA H 18 4.696 4.696 4.928 -0.232 18980 81 1 1 . 1 1 18 18 CYS CA C 18 56.126 56.126 58.794 -2.668 18980 82 1 1 . 1 1 18 18 CYS CB C 18 29.066 29.066 27.796 1.270 18980 83 1 1 . 1 1 18 18 CYS H H 18 8.489 8.489 7.583 0.906 18980 84 1 1 . 1 1 19 19 GLY N N 19 112.394 112.394 109.971 2.423 18980 85 1 1 . 1 1 19 19 GLY CA C 19 43.589 43.589 44.930 -1.341 18980 86 1 1 . 1 1 19 19 GLY H H 19 7.703 7.703 8.294 -0.591 18980 87 1 1 . 1 1 20 20 LYS N N 20 120.951 120.951 122.053 -1.102 18980 88 1 1 . 1 1 20 20 LYS HA H 20 4.364 4.364 4.400 -0.036 18980 89 1 1 . 1 1 20 20 LYS CA C 20 53.066 53.066 55.837 -2.771 18980 90 1 1 . 1 1 20 20 LYS CB C 20 30.653 30.653 33.938 -3.285 18980 91 1 1 . 1 1 20 20 LYS H H 20 8.162 8.162 7.438 0.724 18980 92 1 1 . 1 1 21 21 GLU N N 21 119.095 119.095 121.955 -2.860 18980 93 1 1 . 1 1 21 21 GLU HA H 21 4.602 4.602 4.520 0.082 18980 94 1 1 . 1 1 21 21 GLU CA C 21 53.327 53.327 58.072 -4.745 18980 95 1 1 . 1 1 21 21 GLU CB C 21 28.049 28.049 30.324 -2.275 18980 96 1 1 . 1 1 21 21 GLU H H 21 8.454 8.454 8.644 -0.190 18980 97 1 1 . 1 1 22 22 GLY N N 22 107.727 107.727 108.560 -0.833 18980 98 1 1 . 1 1 22 22 GLY CA C 22 42.965 42.965 45.942 -2.977 18980 99 1 1 . 1 1 22 22 GLY H H 22 8.639 8.639 8.539 0.100 18980 100 1 1 . 1 1 23 23 HIS N N 23 113.019 113.019 115.897 -2.878 18980 101 1 1 . 1 1 23 23 HIS HA H 23 4.613 4.613 4.767 -0.154 18980 102 1 1 . 1 1 23 23 HIS CA C 23 52.409 52.409 54.664 -2.255 18980 103 1 1 . 1 1 23 23 HIS CB C 23 27.389 27.389 31.282 -3.893 18980 104 1 1 . 1 1 23 23 HIS H H 23 6.992 6.992 7.368 -0.376 18980 105 1 1 . 1 1 24 24 ILE N N 24 105.931 105.931 112.415 -6.484 18980 106 1 1 . 1 1 24 24 ILE HA H 24 4.313 4.313 4.340 -0.027 18980 107 1 1 . 1 1 24 24 ILE CA C 24 56.515 56.515 58.225 -1.710 18980 108 1 1 . 1 1 24 24 ILE CB C 24 38.320 38.320 41.561 -3.241 18980 109 1 1 . 1 1 24 24 ILE H H 24 7.578 7.578 7.989 -0.411 18980 110 1 1 . 1 1 25 25 ALA N N 25 122.665 122.665 124.993 -2.328 18980 111 1 1 . 1 1 25 25 ALA HA H 25 4.521 4.521 3.810 0.711 18980 112 1 1 . 1 1 25 25 ALA CA C 25 53.097 53.097 54.857 -1.760 18980 113 1 1 . 1 1 25 25 ALA CB C 25 16.460 16.460 18.029 -1.569 18980 114 1 1 . 1 1 25 25 ALA H H 25 8.944 8.944 8.420 0.524 18980 115 1 1 . 1 1 26 26 LYS N N 26 117.327 117.327 115.276 2.051 18980 116 1 1 . 1 1 26 26 LYS HA H 26 2.735 2.735 4.085 -1.350 18980 117 1 1 . 1 1 26 26 LYS CA C 26 55.268 55.268 58.490 -3.222 18980 118 1 1 . 1 1 26 26 LYS CB C 26 31.527 31.527 32.327 -0.800 18980 119 1 1 . 1 1 26 26 LYS H H 26 6.448 6.448 8.219 -1.771 18980 120 1 1 . 1 1 27 27 ASN N N 27 111.844 111.844 116.163 -4.319 18980 121 1 1 . 1 1 27 27 ASN HA H 27 4.844 4.844 4.693 0.151 18980 122 1 1 . 1 1 27 27 ASN CA C 27 48.766 48.766 53.084 -4.318 18980 123 1 1 . 1 1 27 27 ASN CB C 27 37.372 37.372 39.649 -2.277 18980 124 1 1 . 1 1 27 27 ASN H H 27 7.536 7.536 7.683 -0.147 18980 125 1 1 . 1 1 28 28 CYS N N 28 122.908 122.908 119.747 3.161 18980 126 1 1 . 1 1 28 28 CYS HA H 28 3.590 3.590 4.177 -0.587 18980 127 1 1 . 1 1 28 28 CYS CA C 28 58.923 58.923 60.229 -1.306 18980 128 1 1 . 1 1 28 28 CYS CB C 28 28.111 28.111 28.216 -0.105 18980 129 1 1 . 1 1 28 28 CYS H H 28 7.195 7.195 7.803 -0.608 18980 130 1 1 . 1 1 29 29 ARG N N 29 129.416 129.416 124.819 4.597 18980 131 1 1 . 1 1 29 29 ARG HA H 29 4.446 4.446 4.434 0.012 18980 132 1 1 . 1 1 29 29 ARG CA C 29 52.480 52.480 55.542 -3.062 18980 133 1 1 . 1 1 29 29 ARG CB C 29 27.564 27.564 30.584 -3.020 18980 134 1 1 . 1 1 29 29 ARG H H 29 8.885 8.885 8.530 0.355 18980 135 1 1 . 1 1 30 30 ALA N N 30 127.959 127.959 125.126 2.833 18980 136 1 1 . 1 1 30 30 ALA HA H 30 4.475 4.475 4.463 0.012 18980 137 1 1 . 1 1 30 30 ALA CA C 30 48.220 48.220 50.714 -2.494 18980 138 1 1 . 1 1 30 30 ALA CB C 30 15.112 15.112 18.614 -3.502 18980 139 1 1 . 1 1 30 30 ALA H H 30 8.744 8.744 7.434 1.310 18980 140 1 1 . 1 1 31 31 PRO HA H 31 4.238 4.238 4.498 -0.260 18980 141 1 1 . 1 1 31 31 PRO CA C 31 60.017 60.017 62.911 -2.894 18980 142 1 1 . 1 1 31 31 PRO CB C 31 28.726 28.726 32.854 -4.128 18980 143 1 1 . 1 1 32 32 ARG N N 32 123.635 123.635 122.999 0.636 18980 144 1 1 . 1 1 32 32 ARG HA H 32 4.391 4.391 4.675 -0.284 18980 145 1 1 . 1 1 32 32 ARG CA C 32 53.336 53.336 55.502 -2.166 18980 146 1 1 . 1 1 32 32 ARG CB C 32 27.689 27.689 31.407 -3.718 18980 147 1 1 . 1 1 32 32 ARG H H 32 8.740 8.740 8.455 0.285 18980 148 1 1 . 1 1 33 33 LYS N N 33 127.972 127.972 123.753 4.219 18980 149 1 1 . 1 1 33 33 LYS HA H 33 4.339 4.339 4.364 -0.025 18980 150 1 1 . 1 1 33 33 LYS CA C 33 53.372 53.372 56.622 -3.250 18980 151 1 1 . 1 1 33 33 LYS CB C 33 30.439 30.439 33.108 -2.668 18980 152 1 1 . 1 1 33 33 LYS H H 33 8.868 8.868 8.772 0.096 18980 153 1 1 . 1 1 34 34 LYS N N 34 120.697 120.697 120.175 0.522 18980 154 1 1 . 1 1 34 34 LYS HA H 34 4.393 4.393 4.353 0.040 18980 155 1 1 . 1 1 34 34 LYS CA C 34 54.385 54.385 56.036 -1.651 18980 156 1 1 . 1 1 34 34 LYS CB C 34 30.651 30.651 32.626 -1.975 18980 157 1 1 . 1 1 34 34 LYS H H 34 8.300 8.300 8.581 -0.281 18980 158 1 1 . 1 1 35 35 GLY N N 35 109.787 109.787 105.709 4.078 18980 159 1 1 . 1 1 35 35 GLY CA C 35 40.646 40.646 44.557 -3.911 18980 160 1 1 . 1 1 35 35 GLY H H 35 8.518 8.518 7.346 1.172 18980 161 1 1 . 1 1 36 36 CYS N N 36 122.657 122.657 119.880 2.777 18980 162 1 1 . 1 1 36 36 CYS HA H 36 3.994 3.994 4.116 -0.122 18980 163 1 1 . 1 1 36 36 CYS CA C 36 57.328 57.328 58.578 -1.250 18980 164 1 1 . 1 1 36 36 CYS CB C 36 27.259 27.259 28.074 -0.815 18980 165 1 1 . 1 1 36 36 CYS H H 36 8.249 8.249 8.042 0.207 18980 166 1 1 . 1 1 37 37 TRP N N 37 132.646 132.646 125.817 6.829 18980 167 1 1 . 1 1 37 37 TRP HA H 37 4.763 4.763 4.605 0.158 18980 168 1 1 . 1 1 37 37 TRP CA C 37 54.955 54.955 57.285 -2.330 18980 169 1 1 . 1 1 37 37 TRP CB C 37 26.102 26.102 29.157 -3.055 18980 170 1 1 . 1 1 37 37 TRP H H 37 9.218 9.218 8.308 0.910 18980 171 1 1 . 1 1 38 38 LYS N N 38 121.676 121.676 117.677 3.999 18980 172 1 1 . 1 1 38 38 LYS HA H 38 4.200 4.200 4.133 0.067 18980 173 1 1 . 1 1 38 38 LYS CA C 38 55.916 55.916 57.842 -1.926 18980 174 1 1 . 1 1 38 38 LYS CB C 38 31.288 31.288 33.392 -2.104 18980 175 1 1 . 1 1 38 38 LYS H H 38 9.626 9.626 7.765 1.861 18980 176 1 1 . 1 1 39 39 CYS N N 39 117.746 117.746 114.184 3.562 18980 177 1 1 . 1 1 39 39 CYS HA H 39 4.929 4.929 4.958 -0.029 18980 178 1 1 . 1 1 39 39 CYS CA C 39 56.058 56.058 57.091 -1.033 18980 179 1 1 . 1 1 39 39 CYS CB C 39 29.705 29.705 29.728 -0.023 18980 180 1 1 . 1 1 39 39 CYS H H 39 8.612 8.612 7.892 0.720 18980 181 1 1 . 1 1 40 40 GLY N N 40 113.510 113.510 110.800 2.710 18980 182 1 1 . 1 1 40 40 GLY CA C 40 43.398 43.398 45.175 -1.777 18980 183 1 1 . 1 1 40 40 GLY H H 40 8.050 8.050 8.001 0.049 18980 184 1 1 . 1 1 41 41 LYS N N 41 121.911 121.911 121.696 0.215 18980 185 1 1 . 1 1 41 41 LYS HA H 41 4.296 4.296 4.407 -0.111 18980 186 1 1 . 1 1 41 41 LYS CA C 41 54.068 54.068 55.815 -1.746 18980 187 1 1 . 1 1 41 41 LYS CB C 41 30.765 30.765 33.474 -2.709 18980 188 1 1 . 1 1 41 41 LYS H H 41 8.340 8.340 7.508 0.832 18980 189 1 1 . 1 1 42 42 GLU N N 42 119.418 119.418 119.694 -0.276 18980 190 1 1 . 1 1 42 42 GLU HA H 42 4.116 4.116 4.227 -0.111 18980 191 1 1 . 1 1 42 42 GLU CA C 42 54.054 54.054 56.416 -2.362 18980 192 1 1 . 1 1 42 42 GLU CB C 42 27.786 27.786 30.283 -2.497 18980 193 1 1 . 1 1 42 42 GLU H H 42 8.501 8.501 8.446 0.055 18980 194 1 1 . 1 1 43 43 GLY N N 43 107.782 107.782 108.843 -1.061 18980 195 1 1 . 1 1 43 43 GLY CA C 43 42.789 42.789 45.658 -2.869 18980 196 1 1 . 1 1 43 43 GLY H H 43 8.719 8.719 8.584 0.135 18980 197 1 1 . 1 1 44 44 HIS N N 44 111.284 111.284 115.613 -4.329 18980 198 1 1 . 1 1 44 44 HIS HA H 44 4.587 4.587 4.722 -0.135 18980 199 1 1 . 1 1 44 44 HIS CA C 44 52.665 52.665 54.133 -1.468 18980 200 1 1 . 1 1 44 44 HIS CB C 44 27.416 27.416 30.487 -3.071 18980 201 1 1 . 1 1 44 44 HIS H H 44 6.810 6.810 7.712 -0.902 18980 202 1 1 . 1 1 45 45 GLN N N 45 117.297 117.297 118.963 -1.666 18980 203 1 1 . 1 1 45 45 GLN HA H 45 3.773 3.773 4.421 -0.648 18980 204 1 1 . 1 1 45 45 GLN CA C 45 51.454 51.454 54.238 -2.784 18980 205 1 1 . 1 1 45 45 GLN CB C 45 28.905 28.905 30.586 -1.681 18980 206 1 1 . 1 1 45 45 GLN H H 45 8.781 8.781 8.689 0.092 18980 207 1 1 . 1 1 46 46 MET N N 46 117.926 117.926 120.122 -2.196 18980 208 1 1 . 1 1 46 46 MET HA H 46 4.820 4.820 4.337 0.483 18980 209 1 1 . 1 1 46 46 MET CA C 46 57.542 57.542 58.032 -0.491 18980 210 1 1 . 1 1 46 46 MET CB C 46 29.549 29.549 32.407 -2.857 18980 211 1 1 . 1 1 46 46 MET H H 46 9.008 9.008 8.540 0.468 18980 212 1 1 . 1 1 47 47 LYS N N 47 117.631 117.631 115.770 1.861 18980 213 1 1 . 1 1 47 47 LYS HA H 47 3.448 3.448 4.241 -0.793 18980 214 1 1 . 1 1 47 47 LYS CA C 47 54.988 54.988 57.589 -2.601 18980 215 1 1 . 1 1 47 47 LYS CB C 47 28.285 28.285 32.012 -3.727 18980 216 1 1 . 1 1 47 47 LYS H H 47 6.430 6.430 7.585 -1.155 18980 217 1 1 . 1 1 48 48 ASP N N 48 117.363 117.363 120.441 -3.078 18980 218 1 1 . 1 1 48 48 ASP HA H 48 4.780 4.780 4.605 0.175 18980 219 1 1 . 1 1 48 48 ASP CA C 48 50.600 50.600 54.835 -4.235 18980 220 1 1 . 1 1 48 48 ASP CB C 48 40.029 40.029 41.718 -1.688 18980 221 1 1 . 1 1 48 48 ASP H H 48 7.560 7.560 8.098 -0.538 18980 222 1 1 . 1 1 49 49 CYS N N 49 122.910 122.910 120.488 2.422 18980 223 1 1 . 1 1 49 49 CYS HA H 49 3.682 3.682 4.376 -0.694 18980 224 1 1 . 1 1 49 49 CYS CA C 49 59.557 59.557 58.520 1.037 18980 225 1 1 . 1 1 49 49 CYS CB C 49 28.040 28.040 24.742 3.297 18980 226 1 1 . 1 1 49 49 CYS H H 49 7.091 7.091 8.056 -0.965 18980 227 1 1 . 1 1 50 50 THR N N 50 119.675 119.675 117.477 2.198 18980 228 1 1 . 1 1 50 50 THR HA H 50 4.293 4.293 4.440 -0.147 18980 229 1 1 . 1 1 50 50 THR CA C 50 58.855 58.855 61.867 -3.012 18980 230 1 1 . 1 1 50 50 THR CB C 50 66.355 66.355 69.292 -2.937 18980 231 1 1 . 1 1 50 50 THR H H 50 8.139 8.139 8.044 0.095 18980 232 1 1 . 1 1 51 51 GLU N N 51 124.935 124.935 122.488 2.447 18980 233 1 1 . 1 1 51 51 GLU HA H 51 4.164 4.164 4.320 -0.156 18980 234 1 1 . 1 1 51 51 GLU CA C 51 54.061 54.061 56.018 -1.957 18980 235 1 1 . 1 1 51 51 GLU CB C 51 27.130 27.130 30.174 -3.044 18980 236 1 1 . 1 1 51 51 GLU H H 51 8.551 8.551 8.242 0.309 18980 237 1 1 . 1 1 52 52 ARG N N 52 122.624 122.624 122.115 0.509 18980 238 1 1 . 1 1 52 52 ARG HA H 52 4.248 4.248 4.340 -0.092 18980 239 1 1 . 1 1 52 52 ARG CA C 52 53.402 53.402 56.179 -2.777 18980 240 1 1 . 1 1 52 52 ARG CB C 52 28.028 28.028 30.635 -2.607 18980 241 1 1 . 1 1 52 52 ARG H H 52 8.287 8.287 8.556 -0.269 18980 242 1 1 . 1 1 53 53 GLN N N 53 121.647 121.647 120.341 1.306 18980 243 1 1 . 1 1 53 53 GLN HA H 53 4.248 4.248 4.262 -0.014 18980 244 1 1 . 1 1 53 53 GLN CA C 53 52.946 52.946 55.670 -2.724 18980 245 1 1 . 1 1 53 53 GLN CB C 53 26.794 26.794 29.523 -2.729 18980 246 1 1 . 1 1 53 53 GLN H H 53 8.381 8.381 8.569 -0.188 18980 247 1 1 . 1 1 54 54 ALA N N 54 125.878 125.878 123.648 2.230 18980 248 1 1 . 1 1 54 54 ALA HA H 54 4.296 4.296 4.917 -0.621 18980 249 1 1 . 1 1 54 54 ALA CA C 54 49.575 49.575 51.698 -2.123 18980 250 1 1 . 1 1 54 54 ALA CB C 54 16.704 16.704 21.437 -4.733 18980 251 1 1 . 1 1 54 54 ALA H H 54 8.338 8.338 8.823 -0.485 18980 252 1 2 . 1 1 2 2 GLN N N 2 125.073 125.073 124.424 0.649 18980 253 1 2 . 1 1 2 2 GLN HA H 2 4.309 4.309 4.605 -0.296 18980 254 1 2 . 1 1 2 2 GLN CA C 2 52.755 52.755 55.121 -2.366 18980 255 1 2 . 1 1 2 2 GLN CB C 2 26.728 26.728 31.503 -4.775 18980 256 1 2 . 1 1 2 2 GLN H H 2 8.503 8.503 8.333 0.170 18980 257 1 2 . 1 1 3 3 LYS N N 3 123.202 123.202 120.888 2.314 18980 258 1 2 . 1 1 3 3 LYS HA H 3 4.271 4.271 4.172 0.099 18980 259 1 2 . 1 1 3 3 LYS CA C 3 53.658 53.658 56.326 -2.668 18980 260 1 2 . 1 1 3 3 LYS CB C 3 30.442 30.442 32.404 -1.962 18980 261 1 2 . 1 1 3 3 LYS H H 3 8.414 8.414 8.567 -0.153 18980 262 1 2 . 1 1 4 4 GLY N N 4 109.574 109.574 108.155 1.419 18980 263 1 2 . 1 1 4 4 GLY CA C 4 42.455 42.455 44.130 -1.675 18980 264 1 2 . 1 1 4 4 GLY H H 4 8.394 8.394 7.544 0.850 18980 265 1 2 . 1 1 5 5 ASN N N 5 118.311 118.311 119.368 -1.057 18980 266 1 2 . 1 1 5 5 ASN HA H 5 4.625 4.625 4.590 0.035 18980 267 1 2 . 1 1 5 5 ASN CA C 5 50.146 50.146 53.087 -2.941 18980 268 1 2 . 1 1 5 5 ASN CB C 5 36.059 36.059 38.714 -2.655 18980 269 1 2 . 1 1 5 5 ASN H H 5 8.240 8.240 8.089 0.151 18980 270 1 2 . 1 1 6 6 PHE N N 6 120.460 120.460 124.565 -4.105 18980 271 1 2 . 1 1 6 6 PHE HA H 6 4.541 4.541 4.477 0.064 18980 272 1 2 . 1 1 6 6 PHE CA C 6 55.112 55.112 56.947 -1.835 18980 273 1 2 . 1 1 6 6 PHE CB C 6 36.457 36.457 39.823 -3.366 18980 274 1 2 . 1 1 6 6 PHE H H 6 8.164 8.164 8.148 0.016 18980 275 1 2 . 1 1 7 7 ARG N N 7 121.606 121.606 122.183 -0.577 18980 276 1 2 . 1 1 7 7 ARG HA H 7 4.193 4.193 4.341 -0.148 18980 277 1 2 . 1 1 7 7 ARG CA C 7 53.586 53.586 56.004 -2.418 18980 278 1 2 . 1 1 7 7 ARG CB C 7 27.788 27.788 27.574 0.214 18980 279 1 2 . 1 1 7 7 ARG H H 7 8.184 8.184 9.000 -0.816 18980 280 1 2 . 1 1 8 8 ASN N N 8 118.773 118.773 119.517 -0.744 18980 281 1 2 . 1 1 8 8 ASN HA H 8 4.570 4.570 4.744 -0.174 18980 282 1 2 . 1 1 8 8 ASN CA C 8 50.518 50.518 54.455 -3.937 18980 283 1 2 . 1 1 8 8 ASN CB C 8 35.894 35.894 39.410 -3.516 18980 284 1 2 . 1 1 8 8 ASN H H 8 8.294 8.294 8.658 -0.364 18980 285 1 2 . 1 1 9 9 GLN N N 9 120.522 120.522 119.472 1.050 18980 286 1 2 . 1 1 9 9 GLN HA H 9 4.245 4.245 4.365 -0.120 18980 287 1 2 . 1 1 9 9 GLN CA C 9 53.202 53.202 56.884 -3.682 18980 288 1 2 . 1 1 9 9 GLN CB C 9 26.688 26.688 29.163 -2.475 18980 289 1 2 . 1 1 9 9 GLN H H 9 8.218 8.218 8.301 -0.083 18980 290 1 2 . 1 1 10 10 ARG N N 10 121.826 121.826 121.977 -0.151 18980 291 1 2 . 1 1 10 10 ARG HA H 10 4.244 4.244 4.340 -0.096 18980 292 1 2 . 1 1 10 10 ARG CA C 10 53.208 53.208 56.078 -2.869 18980 293 1 2 . 1 1 10 10 ARG CB C 10 27.939 27.939 30.627 -2.688 18980 294 1 2 . 1 1 10 10 ARG H H 10 8.273 8.273 8.271 0.002 18980 295 1 2 . 1 1 11 11 LYS N N 11 122.737 122.737 123.840 -1.103 18980 296 1 2 . 1 1 11 11 LYS HA H 11 4.263 4.263 4.026 0.237 18980 297 1 2 . 1 1 11 11 LYS CA C 11 53.578 53.578 58.281 -4.703 18980 298 1 2 . 1 1 11 11 LYS CB C 11 30.323 30.323 31.530 -1.207 18980 299 1 2 . 1 1 11 11 LYS H H 11 8.299 8.299 8.894 -0.595 18980 300 1 2 . 1 1 12 12 THR N N 12 116.442 116.442 113.259 3.183 18980 301 1 2 . 1 1 12 12 THR HA H 12 4.254 4.254 4.475 -0.221 18980 302 1 2 . 1 1 12 12 THR CA C 12 58.726 58.726 61.247 -2.521 18980 303 1 2 . 1 1 12 12 THR CB C 12 66.915 66.915 70.501 -3.586 18980 304 1 2 . 1 1 12 12 THR H H 12 8.088 8.088 7.881 0.207 18980 305 1 2 . 1 1 13 13 VAL N N 13 122.626 122.626 118.897 3.729 18980 306 1 2 . 1 1 13 13 VAL HA H 13 4.021 4.021 4.428 -0.407 18980 307 1 2 . 1 1 13 13 VAL CA C 13 58.497 58.497 60.339 -1.842 18980 308 1 2 . 1 1 13 13 VAL CB C 13 30.485 30.485 35.178 -4.692 18980 309 1 2 . 1 1 13 13 VAL H H 13 8.209 8.209 8.210 -0.001 18980 310 1 2 . 1 1 14 14 LYS N N 14 123.504 123.504 128.014 -4.510 18980 311 1 2 . 1 1 14 14 LYS HA H 14 4.412 4.412 4.521 -0.109 18980 312 1 2 . 1 1 14 14 LYS CA C 14 51.599 51.599 54.242 -2.643 18980 313 1 2 . 1 1 14 14 LYS CB C 14 31.540 31.540 34.820 -3.280 18980 314 1 2 . 1 1 14 14 LYS H H 14 8.012 8.012 8.071 -0.059 18980 315 1 2 . 1 1 15 15 CYS N N 15 129.731 129.731 126.212 3.519 18980 316 1 2 . 1 1 15 15 CYS HA H 15 4.215 4.215 4.062 0.153 18980 317 1 2 . 1 1 15 15 CYS CA C 15 56.967 56.967 58.698 -1.731 18980 318 1 2 . 1 1 15 15 CYS CB C 15 27.829 27.829 27.573 0.256 18980 319 1 2 . 1 1 15 15 CYS H H 15 8.256 8.256 8.468 -0.212 18980 320 1 2 . 1 1 16 16 PHE N N 16 128.836 128.836 123.623 5.213 18980 321 1 2 . 1 1 16 16 PHE HA H 16 4.615 4.615 4.318 0.297 18980 322 1 2 . 1 1 16 16 PHE CA C 16 56.137 56.137 57.480 -1.343 18980 323 1 2 . 1 1 16 16 PHE CB C 16 37.103 37.103 38.738 -1.635 18980 324 1 2 . 1 1 16 16 PHE H H 16 9.299 9.299 8.255 1.044 18980 325 1 2 . 1 1 17 17 ASN N N 17 118.280 118.280 117.093 1.187 18980 326 1 2 . 1 1 17 17 ASN HA H 17 3.816 3.816 4.054 -0.238 18980 327 1 2 . 1 1 17 17 ASN CA C 17 53.075 53.075 55.409 -2.334 18980 328 1 2 . 1 1 17 17 ASN CB C 17 36.212 36.212 38.833 -2.621 18980 329 1 2 . 1 1 17 17 ASN H H 17 9.156 9.156 7.461 1.695 18980 330 1 2 . 1 1 18 18 CYS N N 18 116.876 116.876 114.122 2.754 18980 331 1 2 . 1 1 18 18 CYS HA H 18 4.696 4.696 4.757 -0.061 18980 332 1 2 . 1 1 18 18 CYS CA C 18 56.126 56.126 57.849 -1.723 18980 333 1 2 . 1 1 18 18 CYS CB C 18 29.066 29.066 28.426 0.640 18980 334 1 2 . 1 1 18 18 CYS H H 18 8.489 8.489 7.417 1.072 18980 335 1 2 . 1 1 19 19 GLY N N 19 112.394 112.394 111.375 1.019 18980 336 1 2 . 1 1 19 19 GLY CA C 19 43.589 43.589 45.452 -1.863 18980 337 1 2 . 1 1 19 19 GLY H H 19 7.703 7.703 8.138 -0.435 18980 338 1 2 . 1 1 20 20 LYS N N 20 120.951 120.951 120.432 0.519 18980 339 1 2 . 1 1 20 20 LYS HA H 20 4.364 4.364 4.482 -0.118 18980 340 1 2 . 1 1 20 20 LYS CA C 20 53.066 53.066 54.685 -1.619 18980 341 1 2 . 1 1 20 20 LYS CB C 20 30.653 30.653 34.194 -3.541 18980 342 1 2 . 1 1 20 20 LYS H H 20 8.162 8.162 7.277 0.885 18980 343 1 2 . 1 1 21 21 GLU N N 21 119.095 119.095 120.180 -1.085 18980 344 1 2 . 1 1 21 21 GLU HA H 21 4.602 4.602 4.448 0.154 18980 345 1 2 . 1 1 21 21 GLU CA C 21 53.327 53.327 58.006 -4.679 18980 346 1 2 . 1 1 21 21 GLU CB C 21 28.049 28.049 30.170 -2.121 18980 347 1 2 . 1 1 21 21 GLU H H 21 8.454 8.454 8.743 -0.289 18980 348 1 2 . 1 1 22 22 GLY N N 22 107.727 107.727 108.713 -0.986 18980 349 1 2 . 1 1 22 22 GLY CA C 22 42.965 42.965 45.991 -3.026 18980 350 1 2 . 1 1 22 22 GLY H H 22 8.639 8.639 8.450 0.189 18980 351 1 2 . 1 1 23 23 HIS N N 23 113.019 113.019 115.058 -2.039 18980 352 1 2 . 1 1 23 23 HIS HA H 23 4.613 4.613 5.060 -0.447 18980 353 1 2 . 1 1 23 23 HIS CA C 23 52.409 52.409 54.864 -2.455 18980 354 1 2 . 1 1 23 23 HIS CB C 23 27.389 27.389 31.577 -4.188 18980 355 1 2 . 1 1 23 23 HIS H H 23 6.992 6.992 7.199 -0.207 18980 356 1 2 . 1 1 24 24 ILE N N 24 105.931 105.931 113.366 -7.435 18980 357 1 2 . 1 1 24 24 ILE HA H 24 4.313 4.313 4.316 -0.003 18980 358 1 2 . 1 1 24 24 ILE CA C 24 56.515 56.515 58.372 -1.857 18980 359 1 2 . 1 1 24 24 ILE CB C 24 38.320 38.320 41.645 -3.325 18980 360 1 2 . 1 1 24 24 ILE H H 24 7.578 7.578 8.766 -1.188 18980 361 1 2 . 1 1 25 25 ALA N N 25 122.665 122.665 124.681 -2.016 18980 362 1 2 . 1 1 25 25 ALA HA H 25 4.521 4.521 3.794 0.727 18980 363 1 2 . 1 1 25 25 ALA CA C 25 53.097 53.097 54.809 -1.712 18980 364 1 2 . 1 1 25 25 ALA CB C 25 16.460 16.460 17.783 -1.323 18980 365 1 2 . 1 1 25 25 ALA H H 25 8.944 8.944 8.342 0.602 18980 366 1 2 . 1 1 26 26 LYS N N 26 117.327 117.327 117.693 -0.366 18980 367 1 2 . 1 1 26 26 LYS HA H 26 2.735 2.735 4.117 -1.382 18980 368 1 2 . 1 1 26 26 LYS CA C 26 55.268 55.268 59.270 -4.003 18980 369 1 2 . 1 1 26 26 LYS CB C 26 31.527 31.527 32.373 -0.846 18980 370 1 2 . 1 1 26 26 LYS H H 26 6.448 6.448 8.410 -1.962 18980 371 1 2 . 1 1 27 27 ASN N N 27 111.844 111.844 114.424 -2.580 18980 372 1 2 . 1 1 27 27 ASN HA H 27 4.844 4.844 4.734 0.110 18980 373 1 2 . 1 1 27 27 ASN CA C 27 48.766 48.766 52.138 -3.372 18980 374 1 2 . 1 1 27 27 ASN CB C 27 37.372 37.372 38.350 -0.978 18980 375 1 2 . 1 1 27 27 ASN H H 27 7.536 7.536 7.770 -0.234 18980 376 1 2 . 1 1 28 28 CYS N N 28 122.908 122.908 119.598 3.310 18980 377 1 2 . 1 1 28 28 CYS HA H 28 3.590 3.590 4.091 -0.501 18980 378 1 2 . 1 1 28 28 CYS CA C 28 58.923 58.923 60.316 -1.393 18980 379 1 2 . 1 1 28 28 CYS CB C 28 28.111 28.111 27.954 0.157 18980 380 1 2 . 1 1 28 28 CYS H H 28 7.195 7.195 7.997 -0.802 18980 381 1 2 . 1 1 29 29 ARG N N 29 129.416 129.416 126.540 2.876 18980 382 1 2 . 1 1 29 29 ARG HA H 29 4.446 4.446 4.533 -0.087 18980 383 1 2 . 1 1 29 29 ARG CA C 29 52.480 52.480 55.628 -3.148 18980 384 1 2 . 1 1 29 29 ARG CB C 29 27.564 27.564 29.961 -2.397 18980 385 1 2 . 1 1 29 29 ARG H H 29 8.885 8.885 8.564 0.321 18980 386 1 2 . 1 1 30 30 ALA N N 30 127.959 127.959 125.615 2.344 18980 387 1 2 . 1 1 30 30 ALA HA H 30 4.475 4.475 4.542 -0.067 18980 388 1 2 . 1 1 30 30 ALA CA C 30 48.220 48.220 50.269 -2.049 18980 389 1 2 . 1 1 30 30 ALA CB C 30 15.112 15.112 18.165 -3.053 18980 390 1 2 . 1 1 30 30 ALA H H 30 8.744 8.744 7.456 1.288 18980 391 1 2 . 1 1 31 31 PRO HA H 31 4.238 4.238 4.439 -0.201 18980 392 1 2 . 1 1 31 31 PRO CA C 31 60.017 60.017 62.972 -2.955 18980 393 1 2 . 1 1 31 31 PRO CB C 31 28.726 28.726 32.431 -3.705 18980 394 1 2 . 1 1 32 32 ARG N N 32 123.635 123.635 122.108 1.527 18980 395 1 2 . 1 1 32 32 ARG HA H 32 4.391 4.391 4.839 -0.448 18980 396 1 2 . 1 1 32 32 ARG CA C 32 53.336 53.336 55.479 -2.143 18980 397 1 2 . 1 1 32 32 ARG CB C 32 27.689 27.689 32.087 -4.398 18980 398 1 2 . 1 1 32 32 ARG H H 32 8.740 8.740 8.354 0.386 18980 399 1 2 . 1 1 33 33 LYS N N 33 127.972 127.972 124.739 3.233 18980 400 1 2 . 1 1 33 33 LYS HA H 33 4.339 4.339 4.232 0.107 18980 401 1 2 . 1 1 33 33 LYS CA C 33 53.372 53.372 57.122 -3.750 18980 402 1 2 . 1 1 33 33 LYS CB C 33 30.439 30.439 33.137 -2.698 18980 403 1 2 . 1 1 33 33 LYS H H 33 8.868 8.868 8.590 0.278 18980 404 1 2 . 1 1 34 34 LYS N N 34 120.697 120.697 119.923 0.774 18980 405 1 2 . 1 1 34 34 LYS HA H 34 4.393 4.393 4.363 0.030 18980 406 1 2 . 1 1 34 34 LYS CA C 34 54.385 54.385 56.257 -1.872 18980 407 1 2 . 1 1 34 34 LYS CB C 34 30.651 30.651 32.244 -1.593 18980 408 1 2 . 1 1 34 34 LYS H H 34 8.300 8.300 8.576 -0.276 18980 409 1 2 . 1 1 35 35 GLY N N 35 109.787 109.787 106.450 3.337 18980 410 1 2 . 1 1 35 35 GLY CA C 35 40.646 40.646 44.437 -3.791 18980 411 1 2 . 1 1 35 35 GLY H H 35 8.518 8.518 7.387 1.131 18980 412 1 2 . 1 1 36 36 CYS N N 36 122.657 122.657 121.103 1.554 18980 413 1 2 . 1 1 36 36 CYS HA H 36 3.994 3.994 4.178 -0.184 18980 414 1 2 . 1 1 36 36 CYS CA C 36 57.328 57.328 58.451 -1.123 18980 415 1 2 . 1 1 36 36 CYS CB C 36 27.259 27.259 27.439 -0.180 18980 416 1 2 . 1 1 36 36 CYS H H 36 8.249 8.249 8.233 0.016 18980 417 1 2 . 1 1 37 37 TRP N N 37 132.646 132.646 125.842 6.804 18980 418 1 2 . 1 1 37 37 TRP HA H 37 4.763 4.763 4.594 0.169 18980 419 1 2 . 1 1 37 37 TRP CA C 37 54.955 54.955 57.469 -2.514 18980 420 1 2 . 1 1 37 37 TRP CB C 37 26.102 26.102 29.120 -3.018 18980 421 1 2 . 1 1 37 37 TRP H H 37 9.218 9.218 8.415 0.803 18980 422 1 2 . 1 1 38 38 LYS N N 38 121.676 121.676 116.600 5.076 18980 423 1 2 . 1 1 38 38 LYS HA H 38 4.200 4.200 4.251 -0.051 18980 424 1 2 . 1 1 38 38 LYS CA C 38 55.916 55.916 56.892 -0.977 18980 425 1 2 . 1 1 38 38 LYS CB C 38 31.288 31.288 33.654 -2.366 18980 426 1 2 . 1 1 38 38 LYS H H 38 9.626 9.626 7.797 1.829 18980 427 1 2 . 1 1 39 39 CYS N N 39 117.746 117.746 113.156 4.590 18980 428 1 2 . 1 1 39 39 CYS HA H 39 4.929 4.929 4.884 0.045 18980 429 1 2 . 1 1 39 39 CYS CA C 39 56.058 56.058 57.535 -1.477 18980 430 1 2 . 1 1 39 39 CYS CB C 39 29.705 29.705 29.478 0.227 18980 431 1 2 . 1 1 39 39 CYS H H 39 8.612 8.612 7.687 0.925 18980 432 1 2 . 1 1 40 40 GLY N N 40 113.510 113.510 111.156 2.354 18980 433 1 2 . 1 1 40 40 GLY CA C 40 43.398 43.398 45.416 -2.018 18980 434 1 2 . 1 1 40 40 GLY H H 40 8.050 8.050 7.954 0.096 18980 435 1 2 . 1 1 41 41 LYS N N 41 121.911 121.911 121.640 0.271 18980 436 1 2 . 1 1 41 41 LYS HA H 41 4.296 4.296 4.344 -0.048 18980 437 1 2 . 1 1 41 41 LYS CA C 41 54.068 54.068 55.886 -1.817 18980 438 1 2 . 1 1 41 41 LYS CB C 41 30.765 30.765 33.382 -2.617 18980 439 1 2 . 1 1 41 41 LYS H H 41 8.340 8.340 7.474 0.866 18980 440 1 2 . 1 1 42 42 GLU N N 42 119.418 119.418 119.523 -0.105 18980 441 1 2 . 1 1 42 42 GLU HA H 42 4.116 4.116 4.021 0.095 18980 442 1 2 . 1 1 42 42 GLU CA C 42 54.054 54.054 56.669 -2.615 18980 443 1 2 . 1 1 42 42 GLU CB C 42 27.786 27.786 30.055 -2.269 18980 444 1 2 . 1 1 42 42 GLU H H 42 8.501 8.501 8.415 0.086 18980 445 1 2 . 1 1 43 43 GLY N N 43 107.782 107.782 111.774 -3.992 18980 446 1 2 . 1 1 43 43 GLY CA C 43 42.789 42.789 45.576 -2.787 18980 447 1 2 . 1 1 43 43 GLY H H 43 8.719 8.719 8.658 0.061 18980 448 1 2 . 1 1 44 44 HIS N N 44 111.284 111.284 121.318 -10.034 18980 449 1 2 . 1 1 44 44 HIS HA H 44 4.587 4.587 4.657 -0.070 18980 450 1 2 . 1 1 44 44 HIS CA C 44 52.665 52.665 54.895 -2.230 18980 451 1 2 . 1 1 44 44 HIS CB C 44 27.416 27.416 30.654 -3.238 18980 452 1 2 . 1 1 44 44 HIS H H 44 6.810 6.810 7.893 -1.083 18980 453 1 2 . 1 1 45 45 GLN N N 45 117.297 117.297 118.399 -1.102 18980 454 1 2 . 1 1 45 45 GLN HA H 45 3.773 3.773 4.389 -0.616 18980 455 1 2 . 1 1 45 45 GLN CA C 45 51.454 51.454 54.292 -2.838 18980 456 1 2 . 1 1 45 45 GLN CB C 45 28.905 28.905 30.680 -1.776 18980 457 1 2 . 1 1 45 45 GLN H H 45 8.781 8.781 8.710 0.071 18980 458 1 2 . 1 1 46 46 MET N N 46 117.926 117.926 120.986 -3.060 18980 459 1 2 . 1 1 46 46 MET HA H 46 4.820 4.820 4.313 0.507 18980 460 1 2 . 1 1 46 46 MET CA C 46 57.542 57.542 58.863 -1.321 18980 461 1 2 . 1 1 46 46 MET CB C 46 29.549 29.549 32.420 -2.871 18980 462 1 2 . 1 1 46 46 MET H H 46 9.008 9.008 8.708 0.300 18980 463 1 2 . 1 1 47 47 LYS N N 47 117.631 117.631 116.557 1.074 18980 464 1 2 . 1 1 47 47 LYS HA H 47 3.448 3.448 4.165 -0.717 18980 465 1 2 . 1 1 47 47 LYS CA C 47 54.988 54.988 57.688 -2.700 18980 466 1 2 . 1 1 47 47 LYS CB C 47 28.285 28.285 31.790 -3.505 18980 467 1 2 . 1 1 47 47 LYS H H 47 6.430 6.430 8.011 -1.581 18980 468 1 2 . 1 1 48 48 ASP N N 48 117.363 117.363 120.178 -2.815 18980 469 1 2 . 1 1 48 48 ASP HA H 48 4.780 4.780 4.589 0.191 18980 470 1 2 . 1 1 48 48 ASP CA C 48 50.600 50.600 54.944 -4.344 18980 471 1 2 . 1 1 48 48 ASP CB C 48 40.029 40.029 41.916 -1.887 18980 472 1 2 . 1 1 48 48 ASP H H 48 7.560 7.560 7.800 -0.240 18980 473 1 2 . 1 1 49 49 CYS N N 49 122.910 122.910 118.176 4.734 18980 474 1 2 . 1 1 49 49 CYS HA H 49 3.682 3.682 4.140 -0.458 18980 475 1 2 . 1 1 49 49 CYS CA C 49 59.557 59.557 60.520 -0.963 18980 476 1 2 . 1 1 49 49 CYS CB C 49 28.040 28.040 28.461 -0.421 18980 477 1 2 . 1 1 49 49 CYS H H 49 7.091 7.091 7.660 -0.570 18980 478 1 2 . 1 1 50 50 THR N N 50 119.675 119.675 116.032 3.643 18980 479 1 2 . 1 1 50 50 THR HA H 50 4.293 4.293 4.309 -0.016 18980 480 1 2 . 1 1 50 50 THR CA C 50 58.855 58.855 61.832 -2.977 18980 481 1 2 . 1 1 50 50 THR CB C 50 66.355 66.355 69.520 -3.165 18980 482 1 2 . 1 1 50 50 THR H H 50 8.139 8.139 8.323 -0.184 18980 483 1 2 . 1 1 51 51 GLU N N 51 124.935 124.935 122.598 2.337 18980 484 1 2 . 1 1 51 51 GLU HA H 51 4.164 4.164 4.512 -0.348 18980 485 1 2 . 1 1 51 51 GLU CA C 51 54.061 54.061 55.960 -1.899 18980 486 1 2 . 1 1 51 51 GLU CB C 51 27.130 27.130 31.141 -4.011 18980 487 1 2 . 1 1 51 51 GLU H H 51 8.551 8.551 7.585 0.966 18980 488 1 2 . 1 1 52 52 ARG N N 52 122.624 122.624 121.593 1.031 18980 489 1 2 . 1 1 52 52 ARG HA H 52 4.248 4.248 4.533 -0.285 18980 490 1 2 . 1 1 52 52 ARG CA C 52 53.402 53.402 55.608 -2.206 18980 491 1 2 . 1 1 52 52 ARG CB C 52 28.028 28.028 30.643 -2.615 18980 492 1 2 . 1 1 52 52 ARG H H 52 8.287 8.287 8.642 -0.355 18980 493 1 2 . 1 1 53 53 GLN N N 53 121.647 121.647 120.838 0.809 18980 494 1 2 . 1 1 53 53 GLN HA H 53 4.248 4.248 4.434 -0.186 18980 495 1 2 . 1 1 53 53 GLN CA C 53 52.946 52.946 55.627 -2.681 18980 496 1 2 . 1 1 53 53 GLN CB C 53 26.794 26.794 29.039 -2.245 18980 497 1 2 . 1 1 53 53 GLN H H 53 8.381 8.381 7.781 0.600 18980 498 1 2 . 1 1 54 54 ALA N N 54 125.878 125.878 125.307 0.571 18980 499 1 2 . 1 1 54 54 ALA HA H 54 4.296 4.296 4.238 0.058 18980 500 1 2 . 1 1 54 54 ALA CA C 54 49.575 49.575 52.785 -3.209 18980 501 1 2 . 1 1 54 54 ALA CB C 54 16.704 16.704 18.917 -2.213 18980 502 1 2 . 1 1 54 54 ALA H H 54 8.338 8.338 8.430 -0.092 18980 503 1 3 . 1 1 2 2 GLN N N 2 125.073 125.073 122.844 2.229 18980 504 1 3 . 1 1 2 2 GLN HA H 2 4.309 4.309 4.543 -0.234 18980 505 1 3 . 1 1 2 2 GLN CA C 2 52.755 52.755 54.759 -2.004 18980 506 1 3 . 1 1 2 2 GLN CB C 2 26.728 26.728 31.999 -5.271 18980 507 1 3 . 1 1 2 2 GLN H H 2 8.503 8.503 8.405 0.098 18980 508 1 3 . 1 1 3 3 LYS N N 3 123.202 123.202 122.230 0.972 18980 509 1 3 . 1 1 3 3 LYS HA H 3 4.271 4.271 4.003 0.268 18980 510 1 3 . 1 1 3 3 LYS CA C 3 53.658 53.658 57.593 -3.935 18980 511 1 3 . 1 1 3 3 LYS CB C 3 30.442 30.442 32.226 -1.784 18980 512 1 3 . 1 1 3 3 LYS H H 3 8.414 8.414 8.707 -0.293 18980 513 1 3 . 1 1 4 4 GLY N N 4 109.574 109.574 106.433 3.141 18980 514 1 3 . 1 1 4 4 GLY CA C 4 42.455 42.455 44.244 -1.789 18980 515 1 3 . 1 1 4 4 GLY H H 4 8.394 8.394 7.993 0.401 18980 516 1 3 . 1 1 5 5 ASN N N 5 118.311 118.311 118.988 -0.677 18980 517 1 3 . 1 1 5 5 ASN HA H 5 4.625 4.625 4.483 0.142 18980 518 1 3 . 1 1 5 5 ASN CA C 5 50.146 50.146 53.332 -3.186 18980 519 1 3 . 1 1 5 5 ASN CB C 5 36.059 36.059 38.971 -2.913 18980 520 1 3 . 1 1 5 5 ASN H H 5 8.240 8.240 7.708 0.532 18980 521 1 3 . 1 1 6 6 PHE N N 6 120.460 120.460 118.532 1.928 18980 522 1 3 . 1 1 6 6 PHE HA H 6 4.541 4.541 4.765 -0.224 18980 523 1 3 . 1 1 6 6 PHE CA C 6 55.112 55.112 56.637 -1.525 18980 524 1 3 . 1 1 6 6 PHE CB C 6 36.457 36.457 41.872 -5.415 18980 525 1 3 . 1 1 6 6 PHE H H 6 8.164 8.164 8.046 0.118 18980 526 1 3 . 1 1 7 7 ARG N N 7 121.606 121.606 122.672 -1.066 18980 527 1 3 . 1 1 7 7 ARG HA H 7 4.193 4.193 4.299 -0.106 18980 528 1 3 . 1 1 7 7 ARG CA C 7 53.586 53.586 56.323 -2.737 18980 529 1 3 . 1 1 7 7 ARG CB C 7 27.788 27.788 28.070 -0.282 18980 530 1 3 . 1 1 7 7 ARG H H 7 8.184 8.184 8.999 -0.815 18980 531 1 3 . 1 1 8 8 ASN N N 8 118.773 118.773 118.350 0.423 18980 532 1 3 . 1 1 8 8 ASN HA H 8 4.570 4.570 4.637 -0.067 18980 533 1 3 . 1 1 8 8 ASN CA C 8 50.518 50.518 55.004 -4.486 18980 534 1 3 . 1 1 8 8 ASN CB C 8 35.894 35.894 39.704 -3.810 18980 535 1 3 . 1 1 8 8 ASN H H 8 8.294 8.294 8.249 0.045 18980 536 1 3 . 1 1 9 9 GLN N N 9 120.522 120.522 115.700 4.822 18980 537 1 3 . 1 1 9 9 GLN HA H 9 4.245 4.245 4.440 -0.195 18980 538 1 3 . 1 1 9 9 GLN CA C 9 53.202 53.202 55.998 -2.796 18980 539 1 3 . 1 1 9 9 GLN CB C 9 26.688 26.688 30.556 -3.868 18980 540 1 3 . 1 1 9 9 GLN H H 9 8.218 8.218 8.085 0.133 18980 541 1 3 . 1 1 10 10 ARG N N 10 121.826 121.826 121.985 -0.159 18980 542 1 3 . 1 1 10 10 ARG HA H 10 4.244 4.244 4.208 0.036 18980 543 1 3 . 1 1 10 10 ARG CA C 10 53.208 53.208 57.131 -3.923 18980 544 1 3 . 1 1 10 10 ARG CB C 10 27.939 27.939 30.224 -2.285 18980 545 1 3 . 1 1 10 10 ARG H H 10 8.273 8.273 8.369 -0.096 18980 546 1 3 . 1 1 11 11 LYS N N 11 122.737 122.737 122.126 0.611 18980 547 1 3 . 1 1 11 11 LYS HA H 11 4.263 4.263 3.997 0.266 18980 548 1 3 . 1 1 11 11 LYS CA C 11 53.578 53.578 58.470 -4.892 18980 549 1 3 . 1 1 11 11 LYS CB C 11 30.323 30.323 31.436 -1.113 18980 550 1 3 . 1 1 11 11 LYS H H 11 8.299 8.299 8.969 -0.670 18980 551 1 3 . 1 1 12 12 THR N N 12 116.442 116.442 111.139 5.303 18980 552 1 3 . 1 1 12 12 THR HA H 12 4.254 4.254 4.424 -0.170 18980 553 1 3 . 1 1 12 12 THR CA C 12 58.726 58.726 61.051 -2.325 18980 554 1 3 . 1 1 12 12 THR CB C 12 66.915 66.915 70.297 -3.382 18980 555 1 3 . 1 1 12 12 THR H H 12 8.088 8.088 7.789 0.299 18980 556 1 3 . 1 1 13 13 VAL N N 13 122.626 122.626 119.803 2.823 18980 557 1 3 . 1 1 13 13 VAL HA H 13 4.021 4.021 4.427 -0.406 18980 558 1 3 . 1 1 13 13 VAL CA C 13 58.497 58.497 59.774 -1.277 18980 559 1 3 . 1 1 13 13 VAL CB C 13 30.485 30.485 34.977 -4.492 18980 560 1 3 . 1 1 13 13 VAL H H 13 8.209 8.209 8.127 0.082 18980 561 1 3 . 1 1 14 14 LYS N N 14 123.504 123.504 127.873 -4.369 18980 562 1 3 . 1 1 14 14 LYS HA H 14 4.412 4.412 4.410 0.002 18980 563 1 3 . 1 1 14 14 LYS CA C 14 51.599 51.599 54.380 -2.781 18980 564 1 3 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.580 -2.040 18980 565 1 3 . 1 1 14 14 LYS H H 14 8.012 8.012 8.111 -0.099 18980 566 1 3 . 1 1 15 15 CYS N N 15 129.731 129.731 126.415 3.316 18980 567 1 3 . 1 1 15 15 CYS HA H 15 4.215 4.215 4.125 0.090 18980 568 1 3 . 1 1 15 15 CYS CA C 15 56.967 56.967 59.332 -2.365 18980 569 1 3 . 1 1 15 15 CYS CB C 15 27.829 27.829 28.350 -0.521 18980 570 1 3 . 1 1 15 15 CYS H H 15 8.256 8.256 8.181 0.075 18980 571 1 3 . 1 1 16 16 PHE N N 16 128.836 128.836 123.539 5.297 18980 572 1 3 . 1 1 16 16 PHE HA H 16 4.615 4.615 4.318 0.297 18980 573 1 3 . 1 1 16 16 PHE CA C 16 56.137 56.137 58.588 -2.451 18980 574 1 3 . 1 1 16 16 PHE CB C 16 37.103 37.103 38.794 -1.691 18980 575 1 3 . 1 1 16 16 PHE H H 16 9.299 9.299 8.407 0.892 18980 576 1 3 . 1 1 17 17 ASN N N 17 118.280 118.280 117.664 0.616 18980 577 1 3 . 1 1 17 17 ASN HA H 17 3.816 3.816 4.406 -0.590 18980 578 1 3 . 1 1 17 17 ASN CA C 17 53.075 53.075 55.035 -1.960 18980 579 1 3 . 1 1 17 17 ASN CB C 17 36.212 36.212 39.019 -2.807 18980 580 1 3 . 1 1 17 17 ASN H H 17 9.156 9.156 7.579 1.577 18980 581 1 3 . 1 1 18 18 CYS N N 18 116.876 116.876 113.383 3.493 18980 582 1 3 . 1 1 18 18 CYS HA H 18 4.696 4.696 4.814 -0.118 18980 583 1 3 . 1 1 18 18 CYS CA C 18 56.126 56.126 57.661 -1.535 18980 584 1 3 . 1 1 18 18 CYS CB C 18 29.066 29.066 28.205 0.861 18980 585 1 3 . 1 1 18 18 CYS H H 18 8.489 8.489 7.440 1.049 18980 586 1 3 . 1 1 19 19 GLY N N 19 112.394 112.394 110.304 2.090 18980 587 1 3 . 1 1 19 19 GLY CA C 19 43.589 43.589 45.202 -1.613 18980 588 1 3 . 1 1 19 19 GLY H H 19 7.703 7.703 8.367 -0.664 18980 589 1 3 . 1 1 20 20 LYS N N 20 120.951 120.951 121.512 -0.561 18980 590 1 3 . 1 1 20 20 LYS HA H 20 4.364 4.364 4.378 -0.014 18980 591 1 3 . 1 1 20 20 LYS CA C 20 53.066 53.066 55.174 -2.108 18980 592 1 3 . 1 1 20 20 LYS CB C 20 30.653 30.653 33.481 -2.828 18980 593 1 3 . 1 1 20 20 LYS H H 20 8.162 8.162 7.283 0.879 18980 594 1 3 . 1 1 21 21 GLU N N 21 119.095 119.095 120.818 -1.723 18980 595 1 3 . 1 1 21 21 GLU HA H 21 4.602 4.602 4.268 0.334 18980 596 1 3 . 1 1 21 21 GLU CA C 21 53.327 53.327 58.353 -5.026 18980 597 1 3 . 1 1 21 21 GLU CB C 21 28.049 28.049 30.074 -2.025 18980 598 1 3 . 1 1 21 21 GLU H H 21 8.454 8.454 8.807 -0.353 18980 599 1 3 . 1 1 22 22 GLY N N 22 107.727 107.727 108.833 -1.106 18980 600 1 3 . 1 1 22 22 GLY CA C 22 42.965 42.965 45.792 -2.827 18980 601 1 3 . 1 1 22 22 GLY H H 22 8.639 8.639 8.403 0.236 18980 602 1 3 . 1 1 23 23 HIS N N 23 113.019 113.019 116.288 -3.269 18980 603 1 3 . 1 1 23 23 HIS HA H 23 4.613 4.613 4.769 -0.156 18980 604 1 3 . 1 1 23 23 HIS CA C 23 52.409 52.409 54.670 -2.261 18980 605 1 3 . 1 1 23 23 HIS CB C 23 27.389 27.389 31.544 -4.155 18980 606 1 3 . 1 1 23 23 HIS H H 23 6.992 6.992 7.367 -0.375 18980 607 1 3 . 1 1 24 24 ILE N N 24 105.931 105.931 113.084 -7.153 18980 608 1 3 . 1 1 24 24 ILE HA H 24 4.313 4.313 4.343 -0.030 18980 609 1 3 . 1 1 24 24 ILE CA C 24 56.515 56.515 58.189 -1.674 18980 610 1 3 . 1 1 24 24 ILE CB C 24 38.320 38.320 41.324 -3.004 18980 611 1 3 . 1 1 24 24 ILE H H 24 7.578 7.578 7.964 -0.386 18980 612 1 3 . 1 1 25 25 ALA N N 25 122.665 122.665 125.070 -2.405 18980 613 1 3 . 1 1 25 25 ALA HA H 25 4.521 4.521 3.796 0.725 18980 614 1 3 . 1 1 25 25 ALA CA C 25 53.097 53.097 54.870 -1.773 18980 615 1 3 . 1 1 25 25 ALA CB C 25 16.460 16.460 18.043 -1.583 18980 616 1 3 . 1 1 25 25 ALA H H 25 8.944 8.944 8.423 0.521 18980 617 1 3 . 1 1 26 26 LYS N N 26 117.327 117.327 115.726 1.601 18980 618 1 3 . 1 1 26 26 LYS HA H 26 2.735 2.735 4.074 -1.339 18980 619 1 3 . 1 1 26 26 LYS CA C 26 55.268 55.268 58.490 -3.222 18980 620 1 3 . 1 1 26 26 LYS CB C 26 31.527 31.527 32.334 -0.806 18980 621 1 3 . 1 1 26 26 LYS H H 26 6.448 6.448 8.222 -1.774 18980 622 1 3 . 1 1 27 27 ASN N N 27 111.844 111.844 116.256 -4.412 18980 623 1 3 . 1 1 27 27 ASN HA H 27 4.844 4.844 4.669 0.175 18980 624 1 3 . 1 1 27 27 ASN CA C 27 48.766 48.766 53.108 -4.342 18980 625 1 3 . 1 1 27 27 ASN CB C 27 37.372 37.372 39.557 -2.186 18980 626 1 3 . 1 1 27 27 ASN H H 27 7.536 7.536 7.668 -0.132 18980 627 1 3 . 1 1 28 28 CYS N N 28 122.908 122.908 120.061 2.847 18980 628 1 3 . 1 1 28 28 CYS HA H 28 3.590 3.590 4.087 -0.497 18980 629 1 3 . 1 1 28 28 CYS CA C 28 58.923 58.923 60.148 -1.225 18980 630 1 3 . 1 1 28 28 CYS CB C 28 28.111 28.111 28.177 -0.066 18980 631 1 3 . 1 1 28 28 CYS H H 28 7.195 7.195 7.817 -0.622 18980 632 1 3 . 1 1 29 29 ARG N N 29 129.416 129.416 126.574 2.842 18980 633 1 3 . 1 1 29 29 ARG HA H 29 4.446 4.446 4.375 0.071 18980 634 1 3 . 1 1 29 29 ARG CA C 29 52.480 52.480 55.790 -3.310 18980 635 1 3 . 1 1 29 29 ARG CB C 29 27.564 27.564 30.345 -2.781 18980 636 1 3 . 1 1 29 29 ARG H H 29 8.885 8.885 8.532 0.353 18980 637 1 3 . 1 1 30 30 ALA N N 30 127.959 127.959 125.012 2.947 18980 638 1 3 . 1 1 30 30 ALA HA H 30 4.475 4.475 4.465 0.010 18980 639 1 3 . 1 1 30 30 ALA CA C 30 48.220 48.220 50.718 -2.498 18980 640 1 3 . 1 1 30 30 ALA CB C 30 15.112 15.112 18.244 -3.132 18980 641 1 3 . 1 1 30 30 ALA H H 30 8.744 8.744 7.359 1.385 18980 642 1 3 . 1 1 31 31 PRO HA H 31 4.238 4.238 4.366 -0.128 18980 643 1 3 . 1 1 31 31 PRO CA C 31 60.017 60.017 63.167 -3.150 18980 644 1 3 . 1 1 31 31 PRO CB C 31 28.726 28.726 32.373 -3.647 18980 645 1 3 . 1 1 32 32 ARG N N 32 123.635 123.635 122.547 1.088 18980 646 1 3 . 1 1 32 32 ARG HA H 32 4.391 4.391 4.694 -0.303 18980 647 1 3 . 1 1 32 32 ARG CA C 32 53.336 53.336 55.391 -2.055 18980 648 1 3 . 1 1 32 32 ARG CB C 32 27.689 27.689 31.566 -3.877 18980 649 1 3 . 1 1 32 32 ARG H H 32 8.740 8.740 8.432 0.308 18980 650 1 3 . 1 1 33 33 LYS N N 33 127.972 127.972 123.838 4.134 18980 651 1 3 . 1 1 33 33 LYS HA H 33 4.339 4.339 4.364 -0.025 18980 652 1 3 . 1 1 33 33 LYS CA C 33 53.372 53.372 56.627 -3.255 18980 653 1 3 . 1 1 33 33 LYS CB C 33 30.439 30.439 33.103 -2.664 18980 654 1 3 . 1 1 33 33 LYS H H 33 8.868 8.868 8.787 0.081 18980 655 1 3 . 1 1 34 34 LYS N N 34 120.697 120.697 120.306 0.391 18980 656 1 3 . 1 1 34 34 LYS HA H 34 4.393 4.393 4.355 0.038 18980 657 1 3 . 1 1 34 34 LYS CA C 34 54.385 54.385 55.979 -1.594 18980 658 1 3 . 1 1 34 34 LYS CB C 34 30.651 30.651 32.604 -1.953 18980 659 1 3 . 1 1 34 34 LYS H H 34 8.300 8.300 8.568 -0.268 18980 660 1 3 . 1 1 35 35 GLY N N 35 109.787 109.787 105.661 4.126 18980 661 1 3 . 1 1 35 35 GLY CA C 35 40.646 40.646 44.580 -3.934 18980 662 1 3 . 1 1 35 35 GLY H H 35 8.518 8.518 7.333 1.185 18980 663 1 3 . 1 1 36 36 CYS N N 36 122.657 122.657 119.716 2.941 18980 664 1 3 . 1 1 36 36 CYS HA H 36 3.994 3.994 4.062 -0.068 18980 665 1 3 . 1 1 36 36 CYS CA C 36 57.328 57.328 58.597 -1.269 18980 666 1 3 . 1 1 36 36 CYS CB C 36 27.259 27.259 28.198 -0.939 18980 667 1 3 . 1 1 36 36 CYS H H 36 8.249 8.249 8.074 0.175 18980 668 1 3 . 1 1 37 37 TRP N N 37 132.646 132.646 125.773 6.873 18980 669 1 3 . 1 1 37 37 TRP HA H 37 4.763 4.763 4.605 0.158 18980 670 1 3 . 1 1 37 37 TRP CA C 37 54.955 54.955 57.424 -2.469 18980 671 1 3 . 1 1 37 37 TRP CB C 37 26.102 26.102 29.272 -3.170 18980 672 1 3 . 1 1 37 37 TRP H H 37 9.218 9.218 8.280 0.938 18980 673 1 3 . 1 1 38 38 LYS N N 38 121.676 121.676 117.643 4.033 18980 674 1 3 . 1 1 38 38 LYS HA H 38 4.200 4.200 3.963 0.237 18980 675 1 3 . 1 1 38 38 LYS CA C 38 55.916 55.916 57.823 -1.907 18980 676 1 3 . 1 1 38 38 LYS CB C 38 31.288 31.288 33.297 -2.009 18980 677 1 3 . 1 1 38 38 LYS H H 38 9.626 9.626 7.776 1.850 18980 678 1 3 . 1 1 39 39 CYS N N 39 117.746 117.746 114.692 3.054 18980 679 1 3 . 1 1 39 39 CYS HA H 39 4.929 4.929 4.814 0.115 18980 680 1 3 . 1 1 39 39 CYS CA C 39 56.058 56.058 57.373 -1.315 18980 681 1 3 . 1 1 39 39 CYS CB C 39 29.705 29.705 29.386 0.320 18980 682 1 3 . 1 1 39 39 CYS H H 39 8.612 8.612 7.809 0.803 18980 683 1 3 . 1 1 40 40 GLY N N 40 113.510 113.510 110.213 3.297 18980 684 1 3 . 1 1 40 40 GLY CA C 40 43.398 43.398 45.337 -1.939 18980 685 1 3 . 1 1 40 40 GLY H H 40 8.050 8.050 8.362 -0.312 18980 686 1 3 . 1 1 41 41 LYS N N 41 121.911 121.911 121.676 0.235 18980 687 1 3 . 1 1 41 41 LYS HA H 41 4.296 4.296 4.430 -0.134 18980 688 1 3 . 1 1 41 41 LYS CA C 41 54.068 54.068 55.880 -1.812 18980 689 1 3 . 1 1 41 41 LYS CB C 41 30.765 30.765 33.487 -2.722 18980 690 1 3 . 1 1 41 41 LYS H H 41 8.340 8.340 7.537 0.803 18980 691 1 3 . 1 1 42 42 GLU N N 42 119.418 119.418 119.489 -0.071 18980 692 1 3 . 1 1 42 42 GLU HA H 42 4.116 4.116 4.172 -0.056 18980 693 1 3 . 1 1 42 42 GLU CA C 42 54.054 54.054 56.342 -2.288 18980 694 1 3 . 1 1 42 42 GLU CB C 42 27.786 27.786 30.373 -2.587 18980 695 1 3 . 1 1 42 42 GLU H H 42 8.501 8.501 8.489 0.012 18980 696 1 3 . 1 1 43 43 GLY N N 43 107.782 107.782 108.125 -0.343 18980 697 1 3 . 1 1 43 43 GLY CA C 43 42.789 42.789 45.903 -3.114 18980 698 1 3 . 1 1 43 43 GLY H H 43 8.719 8.719 8.854 -0.135 18980 699 1 3 . 1 1 44 44 HIS N N 44 111.284 111.284 115.384 -4.100 18980 700 1 3 . 1 1 44 44 HIS HA H 44 4.587 4.587 4.694 -0.107 18980 701 1 3 . 1 1 44 44 HIS CA C 44 52.665 52.665 54.276 -1.611 18980 702 1 3 . 1 1 44 44 HIS CB C 44 27.416 27.416 30.246 -2.830 18980 703 1 3 . 1 1 44 44 HIS H H 44 6.810 6.810 7.740 -0.930 18980 704 1 3 . 1 1 45 45 GLN N N 45 117.297 117.297 118.909 -1.612 18980 705 1 3 . 1 1 45 45 GLN HA H 45 3.773 3.773 4.422 -0.649 18980 706 1 3 . 1 1 45 45 GLN CA C 45 51.454 51.454 54.075 -2.621 18980 707 1 3 . 1 1 45 45 GLN CB C 45 28.905 28.905 30.703 -1.798 18980 708 1 3 . 1 1 45 45 GLN H H 45 8.781 8.781 8.643 0.138 18980 709 1 3 . 1 1 46 46 MET N N 46 117.926 117.926 122.004 -4.078 18980 710 1 3 . 1 1 46 46 MET HA H 46 4.820 4.820 4.305 0.515 18980 711 1 3 . 1 1 46 46 MET CA C 46 57.542 57.542 57.718 -0.176 18980 712 1 3 . 1 1 46 46 MET CB C 46 29.549 29.549 32.272 -2.723 18980 713 1 3 . 1 1 46 46 MET H H 46 9.008 9.008 8.539 0.469 18980 714 1 3 . 1 1 47 47 LYS N N 47 117.631 117.631 115.924 1.707 18980 715 1 3 . 1 1 47 47 LYS HA H 47 3.448 3.448 4.158 -0.710 18980 716 1 3 . 1 1 47 47 LYS CA C 47 54.988 54.988 57.674 -2.686 18980 717 1 3 . 1 1 47 47 LYS CB C 47 28.285 28.285 32.134 -3.849 18980 718 1 3 . 1 1 47 47 LYS H H 47 6.430 6.430 7.722 -1.292 18980 719 1 3 . 1 1 48 48 ASP N N 48 117.363 117.363 119.265 -1.902 18980 720 1 3 . 1 1 48 48 ASP HA H 48 4.780 4.780 4.626 0.154 18980 721 1 3 . 1 1 48 48 ASP CA C 48 50.600 50.600 55.397 -4.797 18980 722 1 3 . 1 1 48 48 ASP CB C 48 40.029 40.029 41.670 -1.641 18980 723 1 3 . 1 1 48 48 ASP H H 48 7.560 7.560 7.882 -0.322 18980 724 1 3 . 1 1 49 49 CYS N N 49 122.910 122.910 120.968 1.942 18980 725 1 3 . 1 1 49 49 CYS HA H 49 3.682 3.682 4.553 -0.871 18980 726 1 3 . 1 1 49 49 CYS CA C 49 59.557 59.557 58.044 1.513 18980 727 1 3 . 1 1 49 49 CYS CB C 49 28.040 28.040 24.363 3.676 18980 728 1 3 . 1 1 49 49 CYS H H 49 7.091 7.091 8.013 -0.922 18980 729 1 3 . 1 1 50 50 THR N N 50 119.675 119.675 117.822 1.853 18980 730 1 3 . 1 1 50 50 THR HA H 50 4.293 4.293 4.310 -0.017 18980 731 1 3 . 1 1 50 50 THR CA C 50 58.855 58.855 64.504 -5.649 18980 732 1 3 . 1 1 50 50 THR CB C 50 66.355 66.355 69.252 -2.897 18980 733 1 3 . 1 1 50 50 THR H H 50 8.139 8.139 8.123 0.016 18980 734 1 3 . 1 1 51 51 GLU N N 51 124.935 124.935 122.254 2.681 18980 735 1 3 . 1 1 51 51 GLU HA H 51 4.164 4.164 4.397 -0.233 18980 736 1 3 . 1 1 51 51 GLU CA C 51 54.061 54.061 55.494 -1.433 18980 737 1 3 . 1 1 51 51 GLU CB C 51 27.130 27.130 30.757 -3.627 18980 738 1 3 . 1 1 51 51 GLU H H 51 8.551 8.551 8.030 0.521 18980 739 1 3 . 1 1 52 52 ARG N N 52 122.624 122.624 119.787 2.837 18980 740 1 3 . 1 1 52 52 ARG HA H 52 4.248 4.248 4.585 -0.337 18980 741 1 3 . 1 1 52 52 ARG CA C 52 53.402 53.402 54.909 -1.507 18980 742 1 3 . 1 1 52 52 ARG CB C 52 28.028 28.028 30.846 -2.818 18980 743 1 3 . 1 1 52 52 ARG H H 52 8.287 8.287 8.546 -0.259 18980 744 1 3 . 1 1 53 53 GLN N N 53 121.647 121.647 120.115 1.532 18980 745 1 3 . 1 1 53 53 GLN HA H 53 4.248 4.248 4.594 -0.346 18980 746 1 3 . 1 1 53 53 GLN CA C 53 52.946 52.946 55.233 -2.287 18980 747 1 3 . 1 1 53 53 GLN CB C 53 26.794 26.794 31.984 -5.190 18980 748 1 3 . 1 1 53 53 GLN H H 53 8.381 8.381 8.412 -0.031 18980 749 1 3 . 1 1 54 54 ALA N N 54 125.878 125.878 124.086 1.792 18980 750 1 3 . 1 1 54 54 ALA HA H 54 4.296 4.296 4.722 -0.426 18980 751 1 3 . 1 1 54 54 ALA CA C 54 49.575 49.575 51.757 -2.182 18980 752 1 3 . 1 1 54 54 ALA CB C 54 16.704 16.704 21.572 -4.868 18980 753 1 3 . 1 1 54 54 ALA H H 54 8.338 8.338 8.561 -0.223 18980 754 1 4 . 1 1 2 2 GLN N N 2 125.073 125.073 120.616 4.457 18980 755 1 4 . 1 1 2 2 GLN HA H 2 4.309 4.309 4.433 -0.124 18980 756 1 4 . 1 1 2 2 GLN CA C 2 52.755 52.755 55.825 -3.070 18980 757 1 4 . 1 1 2 2 GLN CB C 2 26.728 26.728 29.388 -2.660 18980 758 1 4 . 1 1 2 2 GLN H H 2 8.503 8.503 8.424 0.079 18980 759 1 4 . 1 1 3 3 LYS N N 3 123.202 123.202 122.759 0.443 18980 760 1 4 . 1 1 3 3 LYS HA H 3 4.271 4.271 4.155 0.116 18980 761 1 4 . 1 1 3 3 LYS CA C 3 53.658 53.658 57.082 -3.424 18980 762 1 4 . 1 1 3 3 LYS CB C 3 30.442 30.442 32.873 -2.431 18980 763 1 4 . 1 1 3 3 LYS H H 3 8.414 8.414 8.822 -0.408 18980 764 1 4 . 1 1 4 4 GLY N N 4 109.574 109.574 106.717 2.857 18980 765 1 4 . 1 1 4 4 GLY CA C 4 42.455 42.455 44.135 -1.680 18980 766 1 4 . 1 1 4 4 GLY H H 4 8.394 8.394 8.079 0.315 18980 767 1 4 . 1 1 5 5 ASN N N 5 118.311 118.311 118.439 -0.128 18980 768 1 4 . 1 1 5 5 ASN HA H 5 4.625 4.625 4.643 -0.018 18980 769 1 4 . 1 1 5 5 ASN CA C 5 50.146 50.146 52.978 -2.832 18980 770 1 4 . 1 1 5 5 ASN CB C 5 36.059 36.059 38.997 -2.938 18980 771 1 4 . 1 1 5 5 ASN H H 5 8.240 8.240 8.128 0.112 18980 772 1 4 . 1 1 6 6 PHE N N 6 120.460 120.460 120.407 0.053 18980 773 1 4 . 1 1 6 6 PHE HA H 6 4.541 4.541 4.924 -0.383 18980 774 1 4 . 1 1 6 6 PHE CA C 6 55.112 55.112 56.788 -1.676 18980 775 1 4 . 1 1 6 6 PHE CB C 6 36.457 36.457 41.599 -5.142 18980 776 1 4 . 1 1 6 6 PHE H H 6 8.164 8.164 8.229 -0.065 18980 777 1 4 . 1 1 7 7 ARG N N 7 121.606 121.606 120.167 1.439 18980 778 1 4 . 1 1 7 7 ARG HA H 7 4.193 4.193 4.327 -0.134 18980 779 1 4 . 1 1 7 7 ARG CA C 7 53.586 53.586 57.045 -3.459 18980 780 1 4 . 1 1 7 7 ARG CB C 7 27.788 27.788 29.533 -1.745 18980 781 1 4 . 1 1 7 7 ARG H H 7 8.184 8.184 8.803 -0.619 18980 782 1 4 . 1 1 8 8 ASN N N 8 118.773 118.773 116.605 2.168 18980 783 1 4 . 1 1 8 8 ASN HA H 8 4.570 4.570 4.657 -0.087 18980 784 1 4 . 1 1 8 8 ASN CA C 8 50.518 50.518 54.861 -4.343 18980 785 1 4 . 1 1 8 8 ASN CB C 8 35.894 35.894 37.340 -1.446 18980 786 1 4 . 1 1 8 8 ASN H H 8 8.294 8.294 9.089 -0.795 18980 787 1 4 . 1 1 9 9 GLN N N 9 120.522 120.522 117.752 2.770 18980 788 1 4 . 1 1 9 9 GLN HA H 9 4.245 4.245 4.480 -0.235 18980 789 1 4 . 1 1 9 9 GLN CA C 9 53.202 53.202 55.576 -2.374 18980 790 1 4 . 1 1 9 9 GLN CB C 9 26.688 26.688 31.346 -4.658 18980 791 1 4 . 1 1 9 9 GLN H H 9 8.218 8.218 7.920 0.298 18980 792 1 4 . 1 1 10 10 ARG N N 10 121.826 121.826 122.460 -0.634 18980 793 1 4 . 1 1 10 10 ARG HA H 10 4.244 4.244 4.359 -0.115 18980 794 1 4 . 1 1 10 10 ARG CA C 10 53.208 53.208 55.651 -2.443 18980 795 1 4 . 1 1 10 10 ARG CB C 10 27.939 27.939 29.224 -1.285 18980 796 1 4 . 1 1 10 10 ARG H H 10 8.273 8.273 8.068 0.205 18980 797 1 4 . 1 1 11 11 LYS N N 11 122.737 122.737 119.959 2.778 18980 798 1 4 . 1 1 11 11 LYS HA H 11 4.263 4.263 3.940 0.323 18980 799 1 4 . 1 1 11 11 LYS CA C 11 53.578 53.578 58.618 -5.040 18980 800 1 4 . 1 1 11 11 LYS CB C 11 30.323 30.323 31.237 -0.914 18980 801 1 4 . 1 1 11 11 LYS H H 11 8.299 8.299 8.337 -0.038 18980 802 1 4 . 1 1 12 12 THR N N 12 116.442 116.442 116.903 -0.461 18980 803 1 4 . 1 1 12 12 THR HA H 12 4.254 4.254 4.284 -0.030 18980 804 1 4 . 1 1 12 12 THR CA C 12 58.726 58.726 63.881 -5.155 18980 805 1 4 . 1 1 12 12 THR CB C 12 66.915 66.915 69.623 -2.708 18980 806 1 4 . 1 1 12 12 THR H H 12 8.088 8.088 7.930 0.158 18980 807 1 4 . 1 1 13 13 VAL N N 13 122.626 122.626 120.088 2.538 18980 808 1 4 . 1 1 13 13 VAL HA H 13 4.021 4.021 4.516 -0.495 18980 809 1 4 . 1 1 13 13 VAL CA C 13 58.497 58.497 59.836 -1.339 18980 810 1 4 . 1 1 13 13 VAL CB C 13 30.485 30.485 34.601 -4.116 18980 811 1 4 . 1 1 13 13 VAL H H 13 8.209 8.209 8.052 0.157 18980 812 1 4 . 1 1 14 14 LYS N N 14 123.504 123.504 126.255 -2.751 18980 813 1 4 . 1 1 14 14 LYS HA H 14 4.412 4.412 4.503 -0.091 18980 814 1 4 . 1 1 14 14 LYS CA C 14 51.599 51.599 54.633 -3.034 18980 815 1 4 . 1 1 14 14 LYS CB C 14 31.540 31.540 35.234 -3.694 18980 816 1 4 . 1 1 14 14 LYS H H 14 8.012 8.012 8.190 -0.178 18980 817 1 4 . 1 1 15 15 CYS N N 15 129.731 129.731 125.444 4.287 18980 818 1 4 . 1 1 15 15 CYS HA H 15 4.215 4.215 4.215 0.000 18980 819 1 4 . 1 1 15 15 CYS CA C 15 56.967 56.967 59.016 -2.049 18980 820 1 4 . 1 1 15 15 CYS CB C 15 27.829 27.829 28.648 -0.819 18980 821 1 4 . 1 1 15 15 CYS H H 15 8.256 8.256 8.366 -0.110 18980 822 1 4 . 1 1 16 16 PHE N N 16 128.836 128.836 123.449 5.387 18980 823 1 4 . 1 1 16 16 PHE HA H 16 4.615 4.615 4.350 0.265 18980 824 1 4 . 1 1 16 16 PHE CA C 16 56.137 56.137 58.326 -2.189 18980 825 1 4 . 1 1 16 16 PHE CB C 16 37.103 37.103 38.791 -1.688 18980 826 1 4 . 1 1 16 16 PHE H H 16 9.299 9.299 8.408 0.891 18980 827 1 4 . 1 1 17 17 ASN N N 17 118.280 118.280 117.669 0.611 18980 828 1 4 . 1 1 17 17 ASN HA H 17 3.816 3.816 4.302 -0.486 18980 829 1 4 . 1 1 17 17 ASN CA C 17 53.075 53.075 55.188 -2.113 18980 830 1 4 . 1 1 17 17 ASN CB C 17 36.212 36.212 38.903 -2.691 18980 831 1 4 . 1 1 17 17 ASN H H 17 9.156 9.156 7.502 1.654 18980 832 1 4 . 1 1 18 18 CYS N N 18 116.876 116.876 114.860 2.016 18980 833 1 4 . 1 1 18 18 CYS HA H 18 4.696 4.696 4.763 -0.067 18980 834 1 4 . 1 1 18 18 CYS CA C 18 56.126 56.126 58.834 -2.708 18980 835 1 4 . 1 1 18 18 CYS CB C 18 29.066 29.066 27.558 1.508 18980 836 1 4 . 1 1 18 18 CYS H H 18 8.489 8.489 7.546 0.943 18980 837 1 4 . 1 1 19 19 GLY N N 19 112.394 112.394 110.217 2.177 18980 838 1 4 . 1 1 19 19 GLY CA C 19 43.589 43.589 45.200 -1.611 18980 839 1 4 . 1 1 19 19 GLY H H 19 7.703 7.703 8.256 -0.553 18980 840 1 4 . 1 1 20 20 LYS N N 20 120.951 120.951 121.153 -0.202 18980 841 1 4 . 1 1 20 20 LYS HA H 20 4.364 4.364 4.427 -0.063 18980 842 1 4 . 1 1 20 20 LYS CA C 20 53.066 53.066 55.258 -2.192 18980 843 1 4 . 1 1 20 20 LYS CB C 20 30.653 30.653 33.565 -2.912 18980 844 1 4 . 1 1 20 20 LYS H H 20 8.162 8.162 7.296 0.866 18980 845 1 4 . 1 1 21 21 GLU N N 21 119.095 119.095 119.891 -0.796 18980 846 1 4 . 1 1 21 21 GLU HA H 21 4.602 4.602 4.280 0.322 18980 847 1 4 . 1 1 21 21 GLU CA C 21 53.327 53.327 58.109 -4.782 18980 848 1 4 . 1 1 21 21 GLU CB C 21 28.049 28.049 30.190 -2.141 18980 849 1 4 . 1 1 21 21 GLU H H 21 8.454 8.454 8.652 -0.198 18980 850 1 4 . 1 1 22 22 GLY N N 22 107.727 107.727 108.793 -1.066 18980 851 1 4 . 1 1 22 22 GLY CA C 22 42.965 42.965 46.080 -3.115 18980 852 1 4 . 1 1 22 22 GLY H H 22 8.639 8.639 8.473 0.166 18980 853 1 4 . 1 1 23 23 HIS N N 23 113.019 113.019 115.584 -2.565 18980 854 1 4 . 1 1 23 23 HIS HA H 23 4.613 4.613 4.751 -0.138 18980 855 1 4 . 1 1 23 23 HIS CA C 23 52.409 52.409 54.584 -2.175 18980 856 1 4 . 1 1 23 23 HIS CB C 23 27.389 27.389 31.447 -4.058 18980 857 1 4 . 1 1 23 23 HIS H H 23 6.992 6.992 7.301 -0.309 18980 858 1 4 . 1 1 24 24 ILE N N 24 105.931 105.931 112.988 -7.057 18980 859 1 4 . 1 1 24 24 ILE HA H 24 4.313 4.313 4.324 -0.011 18980 860 1 4 . 1 1 24 24 ILE CA C 24 56.515 56.515 58.282 -1.767 18980 861 1 4 . 1 1 24 24 ILE CB C 24 38.320 38.320 41.421 -3.101 18980 862 1 4 . 1 1 24 24 ILE H H 24 7.578 7.578 7.949 -0.371 18980 863 1 4 . 1 1 25 25 ALA N N 25 122.665 122.665 125.252 -2.587 18980 864 1 4 . 1 1 25 25 ALA HA H 25 4.521 4.521 3.806 0.715 18980 865 1 4 . 1 1 25 25 ALA CA C 25 53.097 53.097 54.810 -1.713 18980 866 1 4 . 1 1 25 25 ALA CB C 25 16.460 16.460 17.977 -1.517 18980 867 1 4 . 1 1 25 25 ALA H H 25 8.944 8.944 8.412 0.532 18980 868 1 4 . 1 1 26 26 LYS N N 26 117.327 117.327 116.100 1.227 18980 869 1 4 . 1 1 26 26 LYS HA H 26 2.735 2.735 4.070 -1.335 18980 870 1 4 . 1 1 26 26 LYS CA C 26 55.268 55.268 58.932 -3.664 18980 871 1 4 . 1 1 26 26 LYS CB C 26 31.527 31.527 32.273 -0.746 18980 872 1 4 . 1 1 26 26 LYS H H 26 6.448 6.448 8.296 -1.848 18980 873 1 4 . 1 1 27 27 ASN N N 27 111.844 111.844 117.170 -5.326 18980 874 1 4 . 1 1 27 27 ASN HA H 27 4.844 4.844 4.712 0.132 18980 875 1 4 . 1 1 27 27 ASN CA C 27 48.766 48.766 53.048 -4.282 18980 876 1 4 . 1 1 27 27 ASN CB C 27 37.372 37.372 39.627 -2.255 18980 877 1 4 . 1 1 27 27 ASN H H 27 7.536 7.536 7.726 -0.190 18980 878 1 4 . 1 1 28 28 CYS N N 28 122.908 122.908 119.534 3.374 18980 879 1 4 . 1 1 28 28 CYS HA H 28 3.590 3.590 4.143 -0.553 18980 880 1 4 . 1 1 28 28 CYS CA C 28 58.923 58.923 59.586 -0.663 18980 881 1 4 . 1 1 28 28 CYS CB C 28 28.111 28.111 28.030 0.081 18980 882 1 4 . 1 1 28 28 CYS H H 28 7.195 7.195 7.782 -0.587 18980 883 1 4 . 1 1 29 29 ARG N N 29 129.416 129.416 125.346 4.070 18980 884 1 4 . 1 1 29 29 ARG HA H 29 4.446 4.446 4.475 -0.029 18980 885 1 4 . 1 1 29 29 ARG CA C 29 52.480 52.480 55.410 -2.930 18980 886 1 4 . 1 1 29 29 ARG CB C 29 27.564 27.564 30.324 -2.760 18980 887 1 4 . 1 1 29 29 ARG H H 29 8.885 8.885 8.405 0.480 18980 888 1 4 . 1 1 30 30 ALA N N 30 127.959 127.959 126.255 1.704 18980 889 1 4 . 1 1 30 30 ALA HA H 30 4.475 4.475 4.467 0.008 18980 890 1 4 . 1 1 30 30 ALA CA C 30 48.220 48.220 50.752 -2.532 18980 891 1 4 . 1 1 30 30 ALA CB C 30 15.112 15.112 18.306 -3.194 18980 892 1 4 . 1 1 30 30 ALA H H 30 8.744 8.744 7.569 1.175 18980 893 1 4 . 1 1 31 31 PRO HA H 31 4.238 4.238 4.448 -0.210 18980 894 1 4 . 1 1 31 31 PRO CA C 31 60.017 60.017 62.965 -2.947 18980 895 1 4 . 1 1 31 31 PRO CB C 31 28.726 28.726 32.564 -3.838 18980 896 1 4 . 1 1 32 32 ARG N N 32 123.635 123.635 122.411 1.224 18980 897 1 4 . 1 1 32 32 ARG HA H 32 4.391 4.391 4.698 -0.307 18980 898 1 4 . 1 1 32 32 ARG CA C 32 53.336 53.336 55.337 -2.001 18980 899 1 4 . 1 1 32 32 ARG CB C 32 27.689 27.689 31.434 -3.745 18980 900 1 4 . 1 1 32 32 ARG H H 32 8.740 8.740 8.435 0.305 18980 901 1 4 . 1 1 33 33 LYS N N 33 127.972 127.972 123.800 4.172 18980 902 1 4 . 1 1 33 33 LYS HA H 33 4.339 4.339 4.380 -0.041 18980 903 1 4 . 1 1 33 33 LYS CA C 33 53.372 53.372 56.604 -3.232 18980 904 1 4 . 1 1 33 33 LYS CB C 33 30.439 30.439 33.153 -2.713 18980 905 1 4 . 1 1 33 33 LYS H H 33 8.868 8.868 8.909 -0.041 18980 906 1 4 . 1 1 34 34 LYS N N 34 120.697 120.697 120.582 0.115 18980 907 1 4 . 1 1 34 34 LYS HA H 34 4.393 4.393 4.359 0.034 18980 908 1 4 . 1 1 34 34 LYS CA C 34 54.385 54.385 55.965 -1.580 18980 909 1 4 . 1 1 34 34 LYS CB C 34 30.651 30.651 32.483 -1.833 18980 910 1 4 . 1 1 34 34 LYS H H 34 8.300 8.300 8.587 -0.287 18980 911 1 4 . 1 1 35 35 GLY N N 35 109.787 109.787 105.726 4.061 18980 912 1 4 . 1 1 35 35 GLY CA C 35 40.646 40.646 44.632 -3.986 18980 913 1 4 . 1 1 35 35 GLY H H 35 8.518 8.518 7.338 1.180 18980 914 1 4 . 1 1 36 36 CYS N N 36 122.657 122.657 119.688 2.969 18980 915 1 4 . 1 1 36 36 CYS HA H 36 3.994 3.994 4.084 -0.090 18980 916 1 4 . 1 1 36 36 CYS CA C 36 57.328 57.328 58.590 -1.262 18980 917 1 4 . 1 1 36 36 CYS CB C 36 27.259 27.259 28.251 -0.992 18980 918 1 4 . 1 1 36 36 CYS H H 36 8.249 8.249 8.035 0.214 18980 919 1 4 . 1 1 37 37 TRP N N 37 132.646 132.646 125.789 6.857 18980 920 1 4 . 1 1 37 37 TRP HA H 37 4.763 4.763 4.587 0.176 18980 921 1 4 . 1 1 37 37 TRP CA C 37 54.955 54.955 57.547 -2.592 18980 922 1 4 . 1 1 37 37 TRP CB C 37 26.102 26.102 29.284 -3.182 18980 923 1 4 . 1 1 37 37 TRP H H 37 9.218 9.218 8.305 0.913 18980 924 1 4 . 1 1 38 38 LYS N N 38 121.676 121.676 119.144 2.532 18980 925 1 4 . 1 1 38 38 LYS HA H 38 4.200 4.200 4.012 0.188 18980 926 1 4 . 1 1 38 38 LYS CA C 38 55.916 55.916 58.960 -3.044 18980 927 1 4 . 1 1 38 38 LYS CB C 38 31.288 31.288 33.048 -1.760 18980 928 1 4 . 1 1 38 38 LYS H H 38 9.626 9.626 7.865 1.761 18980 929 1 4 . 1 1 39 39 CYS N N 39 117.746 117.746 112.318 5.428 18980 930 1 4 . 1 1 39 39 CYS HA H 39 4.929 4.929 4.862 0.067 18980 931 1 4 . 1 1 39 39 CYS CA C 39 56.058 56.058 57.297 -1.239 18980 932 1 4 . 1 1 39 39 CYS CB C 39 29.705 29.705 29.234 0.471 18980 933 1 4 . 1 1 39 39 CYS H H 39 8.612 8.612 7.806 0.806 18980 934 1 4 . 1 1 40 40 GLY N N 40 113.510 113.510 110.638 2.872 18980 935 1 4 . 1 1 40 40 GLY CA C 40 43.398 43.398 45.385 -1.987 18980 936 1 4 . 1 1 40 40 GLY H H 40 8.050 8.050 7.972 0.078 18980 937 1 4 . 1 1 41 41 LYS N N 41 121.911 121.911 121.338 0.573 18980 938 1 4 . 1 1 41 41 LYS HA H 41 4.296 4.296 4.503 -0.207 18980 939 1 4 . 1 1 41 41 LYS CA C 41 54.068 54.068 55.665 -1.597 18980 940 1 4 . 1 1 41 41 LYS CB C 41 30.765 30.765 33.460 -2.695 18980 941 1 4 . 1 1 41 41 LYS H H 41 8.340 8.340 7.536 0.804 18980 942 1 4 . 1 1 42 42 GLU N N 42 119.418 119.418 119.743 -0.325 18980 943 1 4 . 1 1 42 42 GLU HA H 42 4.116 4.116 4.198 -0.082 18980 944 1 4 . 1 1 42 42 GLU CA C 42 54.054 54.054 56.340 -2.285 18980 945 1 4 . 1 1 42 42 GLU CB C 42 27.786 27.786 30.322 -2.536 18980 946 1 4 . 1 1 42 42 GLU H H 42 8.501 8.501 8.520 -0.019 18980 947 1 4 . 1 1 43 43 GLY N N 43 107.782 107.782 108.604 -0.822 18980 948 1 4 . 1 1 43 43 GLY CA C 43 42.789 42.789 45.910 -3.121 18980 949 1 4 . 1 1 43 43 GLY H H 43 8.719 8.719 8.846 -0.127 18980 950 1 4 . 1 1 44 44 HIS N N 44 111.284 111.284 116.050 -4.766 18980 951 1 4 . 1 1 44 44 HIS HA H 44 4.587 4.587 4.715 -0.128 18980 952 1 4 . 1 1 44 44 HIS CA C 44 52.665 52.665 54.260 -1.595 18980 953 1 4 . 1 1 44 44 HIS CB C 44 27.416 27.416 30.459 -3.043 18980 954 1 4 . 1 1 44 44 HIS H H 44 6.810 6.810 7.712 -0.902 18980 955 1 4 . 1 1 45 45 GLN N N 45 117.297 117.297 118.988 -1.691 18980 956 1 4 . 1 1 45 45 GLN HA H 45 3.773 3.773 4.414 -0.641 18980 957 1 4 . 1 1 45 45 GLN CA C 45 51.454 51.454 54.224 -2.770 18980 958 1 4 . 1 1 45 45 GLN CB C 45 28.905 28.905 30.943 -2.038 18980 959 1 4 . 1 1 45 45 GLN H H 45 8.781 8.781 8.560 0.221 18980 960 1 4 . 1 1 46 46 MET N N 46 117.926 117.926 123.059 -5.133 18980 961 1 4 . 1 1 46 46 MET HA H 46 4.820 4.820 4.302 0.518 18980 962 1 4 . 1 1 46 46 MET CA C 46 57.542 57.542 58.285 -0.743 18980 963 1 4 . 1 1 46 46 MET CB C 46 29.549 29.549 32.154 -2.605 18980 964 1 4 . 1 1 46 46 MET H H 46 9.008 9.008 8.683 0.325 18980 965 1 4 . 1 1 47 47 LYS N N 47 117.631 117.631 116.980 0.651 18980 966 1 4 . 1 1 47 47 LYS HA H 47 3.448 3.448 4.151 -0.703 18980 967 1 4 . 1 1 47 47 LYS CA C 47 54.988 54.988 58.179 -3.191 18980 968 1 4 . 1 1 47 47 LYS CB C 47 28.285 28.285 31.633 -3.348 18980 969 1 4 . 1 1 47 47 LYS H H 47 6.430 6.430 8.024 -1.594 18980 970 1 4 . 1 1 48 48 ASP N N 48 117.363 117.363 119.308 -1.945 18980 971 1 4 . 1 1 48 48 ASP HA H 48 4.780 4.780 4.709 0.071 18980 972 1 4 . 1 1 48 48 ASP CA C 48 50.600 50.600 54.609 -4.010 18980 973 1 4 . 1 1 48 48 ASP CB C 48 40.029 40.029 41.629 -1.600 18980 974 1 4 . 1 1 48 48 ASP H H 48 7.560 7.560 7.931 -0.371 18980 975 1 4 . 1 1 49 49 CYS N N 49 122.910 122.910 118.686 4.224 18980 976 1 4 . 1 1 49 49 CYS HA H 49 3.682 3.682 4.666 -0.984 18980 977 1 4 . 1 1 49 49 CYS CA C 49 59.557 59.557 57.961 1.596 18980 978 1 4 . 1 1 49 49 CYS CB C 49 28.040 28.040 29.287 -1.247 18980 979 1 4 . 1 1 49 49 CYS H H 49 7.091 7.091 7.639 -0.548 18980 980 1 4 . 1 1 50 50 THR N N 50 119.675 119.675 120.684 -1.009 18980 981 1 4 . 1 1 50 50 THR HA H 50 4.293 4.293 4.223 0.070 18980 982 1 4 . 1 1 50 50 THR CA C 50 58.855 58.855 63.729 -4.874 18980 983 1 4 . 1 1 50 50 THR CB C 50 66.355 66.355 69.180 -2.825 18980 984 1 4 . 1 1 50 50 THR H H 50 8.139 8.139 8.537 -0.398 18980 985 1 4 . 1 1 51 51 GLU N N 51 124.935 124.935 120.767 4.168 18980 986 1 4 . 1 1 51 51 GLU HA H 51 4.164 4.164 4.463 -0.299 18980 987 1 4 . 1 1 51 51 GLU CA C 51 54.061 54.061 55.478 -1.417 18980 988 1 4 . 1 1 51 51 GLU CB C 51 27.130 27.130 31.485 -4.354 18980 989 1 4 . 1 1 51 51 GLU H H 51 8.551 8.551 7.936 0.615 18980 990 1 4 . 1 1 52 52 ARG N N 52 122.624 122.624 120.700 1.924 18980 991 1 4 . 1 1 52 52 ARG HA H 52 4.248 4.248 4.287 -0.039 18980 992 1 4 . 1 1 52 52 ARG CA C 52 53.402 53.402 56.352 -2.950 18980 993 1 4 . 1 1 52 52 ARG CB C 52 28.028 28.028 30.820 -2.792 18980 994 1 4 . 1 1 52 52 ARG H H 52 8.287 8.287 8.518 -0.231 18980 995 1 4 . 1 1 53 53 GLN N N 53 121.647 121.647 121.170 0.477 18980 996 1 4 . 1 1 53 53 GLN HA H 53 4.248 4.248 4.398 -0.150 18980 997 1 4 . 1 1 53 53 GLN CA C 53 52.946 52.946 55.650 -2.704 18980 998 1 4 . 1 1 53 53 GLN CB C 53 26.794 26.794 29.148 -2.354 18980 999 1 4 . 1 1 53 53 GLN H H 53 8.381 8.381 8.603 -0.222 18980 1000 1 4 . 1 1 54 54 ALA N N 54 125.878 125.878 123.700 2.178 18980 1001 1 4 . 1 1 54 54 ALA HA H 54 4.296 4.296 4.344 -0.048 18980 1002 1 4 . 1 1 54 54 ALA CA C 54 49.575 49.575 52.653 -3.078 18980 1003 1 4 . 1 1 54 54 ALA CB C 54 16.704 16.704 17.510 -0.806 18980 1004 1 4 . 1 1 54 54 ALA H H 54 8.338 8.338 8.580 -0.242 18980 1005 1 5 . 1 1 2 2 GLN N N 2 125.073 125.073 120.616 4.457 18980 1006 1 5 . 1 1 2 2 GLN HA H 2 4.309 4.309 4.433 -0.124 18980 1007 1 5 . 1 1 2 2 GLN CA C 2 52.755 52.755 55.825 -3.070 18980 1008 1 5 . 1 1 2 2 GLN CB C 2 26.728 26.728 29.388 -2.660 18980 1009 1 5 . 1 1 2 2 GLN H H 2 8.503 8.503 8.424 0.079 18980 1010 1 5 . 1 1 3 3 LYS N N 3 123.202 123.202 122.759 0.443 18980 1011 1 5 . 1 1 3 3 LYS HA H 3 4.271 4.271 4.155 0.116 18980 1012 1 5 . 1 1 3 3 LYS CA C 3 53.658 53.658 57.082 -3.424 18980 1013 1 5 . 1 1 3 3 LYS CB C 3 30.442 30.442 32.873 -2.431 18980 1014 1 5 . 1 1 3 3 LYS H H 3 8.414 8.414 8.822 -0.408 18980 1015 1 5 . 1 1 4 4 GLY N N 4 109.574 109.574 106.717 2.857 18980 1016 1 5 . 1 1 4 4 GLY CA C 4 42.455 42.455 44.135 -1.680 18980 1017 1 5 . 1 1 4 4 GLY H H 4 8.394 8.394 8.079 0.315 18980 1018 1 5 . 1 1 5 5 ASN N N 5 118.311 118.311 118.439 -0.128 18980 1019 1 5 . 1 1 5 5 ASN HA H 5 4.625 4.625 4.643 -0.018 18980 1020 1 5 . 1 1 5 5 ASN CA C 5 50.146 50.146 52.978 -2.832 18980 1021 1 5 . 1 1 5 5 ASN CB C 5 36.059 36.059 38.997 -2.938 18980 1022 1 5 . 1 1 5 5 ASN H H 5 8.240 8.240 8.128 0.112 18980 1023 1 5 . 1 1 6 6 PHE N N 6 120.460 120.460 120.407 0.053 18980 1024 1 5 . 1 1 6 6 PHE HA H 6 4.541 4.541 4.924 -0.383 18980 1025 1 5 . 1 1 6 6 PHE CA C 6 55.112 55.112 56.788 -1.676 18980 1026 1 5 . 1 1 6 6 PHE CB C 6 36.457 36.457 41.599 -5.142 18980 1027 1 5 . 1 1 6 6 PHE H H 6 8.164 8.164 8.229 -0.065 18980 1028 1 5 . 1 1 7 7 ARG N N 7 121.606 121.606 120.167 1.439 18980 1029 1 5 . 1 1 7 7 ARG HA H 7 4.193 4.193 4.327 -0.134 18980 1030 1 5 . 1 1 7 7 ARG CA C 7 53.586 53.586 57.045 -3.459 18980 1031 1 5 . 1 1 7 7 ARG CB C 7 27.788 27.788 29.533 -1.745 18980 1032 1 5 . 1 1 7 7 ARG H H 7 8.184 8.184 8.803 -0.619 18980 1033 1 5 . 1 1 8 8 ASN N N 8 118.773 118.773 116.605 2.168 18980 1034 1 5 . 1 1 8 8 ASN HA H 8 4.570 4.570 4.657 -0.087 18980 1035 1 5 . 1 1 8 8 ASN CA C 8 50.518 50.518 54.861 -4.343 18980 1036 1 5 . 1 1 8 8 ASN CB C 8 35.894 35.894 37.340 -1.446 18980 1037 1 5 . 1 1 8 8 ASN H H 8 8.294 8.294 9.089 -0.795 18980 1038 1 5 . 1 1 9 9 GLN N N 9 120.522 120.522 117.752 2.770 18980 1039 1 5 . 1 1 9 9 GLN HA H 9 4.245 4.245 4.480 -0.235 18980 1040 1 5 . 1 1 9 9 GLN CA C 9 53.202 53.202 55.576 -2.374 18980 1041 1 5 . 1 1 9 9 GLN CB C 9 26.688 26.688 31.346 -4.658 18980 1042 1 5 . 1 1 9 9 GLN H H 9 8.218 8.218 7.920 0.298 18980 1043 1 5 . 1 1 10 10 ARG N N 10 121.826 121.826 122.460 -0.634 18980 1044 1 5 . 1 1 10 10 ARG HA H 10 4.244 4.244 4.359 -0.115 18980 1045 1 5 . 1 1 10 10 ARG CA C 10 53.208 53.208 55.651 -2.443 18980 1046 1 5 . 1 1 10 10 ARG CB C 10 27.939 27.939 29.224 -1.285 18980 1047 1 5 . 1 1 10 10 ARG H H 10 8.273 8.273 8.068 0.205 18980 1048 1 5 . 1 1 11 11 LYS N N 11 122.737 122.737 119.959 2.778 18980 1049 1 5 . 1 1 11 11 LYS HA H 11 4.263 4.263 3.940 0.323 18980 1050 1 5 . 1 1 11 11 LYS CA C 11 53.578 53.578 58.618 -5.040 18980 1051 1 5 . 1 1 11 11 LYS CB C 11 30.323 30.323 31.237 -0.914 18980 1052 1 5 . 1 1 11 11 LYS H H 11 8.299 8.299 8.337 -0.038 18980 1053 1 5 . 1 1 12 12 THR N N 12 116.442 116.442 116.903 -0.461 18980 1054 1 5 . 1 1 12 12 THR HA H 12 4.254 4.254 4.284 -0.030 18980 1055 1 5 . 1 1 12 12 THR CA C 12 58.726 58.726 63.881 -5.155 18980 1056 1 5 . 1 1 12 12 THR CB C 12 66.915 66.915 69.623 -2.708 18980 1057 1 5 . 1 1 12 12 THR H H 12 8.088 8.088 7.930 0.158 18980 1058 1 5 . 1 1 13 13 VAL N N 13 122.626 122.626 120.088 2.538 18980 1059 1 5 . 1 1 13 13 VAL HA H 13 4.021 4.021 4.516 -0.495 18980 1060 1 5 . 1 1 13 13 VAL CA C 13 58.497 58.497 59.836 -1.339 18980 1061 1 5 . 1 1 13 13 VAL CB C 13 30.485 30.485 34.601 -4.116 18980 1062 1 5 . 1 1 13 13 VAL H H 13 8.209 8.209 8.052 0.157 18980 1063 1 5 . 1 1 14 14 LYS N N 14 123.504 123.504 126.255 -2.751 18980 1064 1 5 . 1 1 14 14 LYS HA H 14 4.412 4.412 4.503 -0.091 18980 1065 1 5 . 1 1 14 14 LYS CA C 14 51.599 51.599 54.633 -3.034 18980 1066 1 5 . 1 1 14 14 LYS CB C 14 31.540 31.540 35.234 -3.694 18980 1067 1 5 . 1 1 14 14 LYS H H 14 8.012 8.012 8.190 -0.178 18980 1068 1 5 . 1 1 15 15 CYS N N 15 129.731 129.731 125.444 4.287 18980 1069 1 5 . 1 1 15 15 CYS HA H 15 4.215 4.215 4.215 0.000 18980 1070 1 5 . 1 1 15 15 CYS CA C 15 56.967 56.967 59.016 -2.049 18980 1071 1 5 . 1 1 15 15 CYS CB C 15 27.829 27.829 28.648 -0.819 18980 1072 1 5 . 1 1 15 15 CYS H H 15 8.256 8.256 8.366 -0.110 18980 1073 1 5 . 1 1 16 16 PHE N N 16 128.836 128.836 123.449 5.387 18980 1074 1 5 . 1 1 16 16 PHE HA H 16 4.615 4.615 4.350 0.265 18980 1075 1 5 . 1 1 16 16 PHE CA C 16 56.137 56.137 58.326 -2.189 18980 1076 1 5 . 1 1 16 16 PHE CB C 16 37.103 37.103 38.791 -1.688 18980 1077 1 5 . 1 1 16 16 PHE H H 16 9.299 9.299 8.408 0.891 18980 1078 1 5 . 1 1 17 17 ASN N N 17 118.280 118.280 117.669 0.611 18980 1079 1 5 . 1 1 17 17 ASN HA H 17 3.816 3.816 4.302 -0.486 18980 1080 1 5 . 1 1 17 17 ASN CA C 17 53.075 53.075 55.188 -2.113 18980 1081 1 5 . 1 1 17 17 ASN CB C 17 36.212 36.212 38.903 -2.691 18980 1082 1 5 . 1 1 17 17 ASN H H 17 9.156 9.156 7.502 1.654 18980 1083 1 5 . 1 1 18 18 CYS N N 18 116.876 116.876 114.860 2.016 18980 1084 1 5 . 1 1 18 18 CYS HA H 18 4.696 4.696 4.763 -0.067 18980 1085 1 5 . 1 1 18 18 CYS CA C 18 56.126 56.126 58.834 -2.708 18980 1086 1 5 . 1 1 18 18 CYS CB C 18 29.066 29.066 27.558 1.508 18980 1087 1 5 . 1 1 18 18 CYS H H 18 8.489 8.489 7.546 0.943 18980 1088 1 5 . 1 1 19 19 GLY N N 19 112.394 112.394 110.217 2.177 18980 1089 1 5 . 1 1 19 19 GLY CA C 19 43.589 43.589 45.200 -1.611 18980 1090 1 5 . 1 1 19 19 GLY H H 19 7.703 7.703 8.256 -0.553 18980 1091 1 5 . 1 1 20 20 LYS N N 20 120.951 120.951 121.153 -0.202 18980 1092 1 5 . 1 1 20 20 LYS HA H 20 4.364 4.364 4.427 -0.063 18980 1093 1 5 . 1 1 20 20 LYS CA C 20 53.066 53.066 55.258 -2.192 18980 1094 1 5 . 1 1 20 20 LYS CB C 20 30.653 30.653 33.565 -2.912 18980 1095 1 5 . 1 1 20 20 LYS H H 20 8.162 8.162 7.296 0.866 18980 1096 1 5 . 1 1 21 21 GLU N N 21 119.095 119.095 119.891 -0.796 18980 1097 1 5 . 1 1 21 21 GLU HA H 21 4.602 4.602 4.280 0.322 18980 1098 1 5 . 1 1 21 21 GLU CA C 21 53.327 53.327 58.109 -4.782 18980 1099 1 5 . 1 1 21 21 GLU CB C 21 28.049 28.049 30.190 -2.141 18980 1100 1 5 . 1 1 21 21 GLU H H 21 8.454 8.454 8.652 -0.198 18980 1101 1 5 . 1 1 22 22 GLY N N 22 107.727 107.727 108.793 -1.066 18980 1102 1 5 . 1 1 22 22 GLY CA C 22 42.965 42.965 46.080 -3.115 18980 1103 1 5 . 1 1 22 22 GLY H H 22 8.639 8.639 8.473 0.166 18980 1104 1 5 . 1 1 23 23 HIS N N 23 113.019 113.019 115.584 -2.565 18980 1105 1 5 . 1 1 23 23 HIS HA H 23 4.613 4.613 4.751 -0.138 18980 1106 1 5 . 1 1 23 23 HIS CA C 23 52.409 52.409 54.584 -2.175 18980 1107 1 5 . 1 1 23 23 HIS CB C 23 27.389 27.389 31.447 -4.058 18980 1108 1 5 . 1 1 23 23 HIS H H 23 6.992 6.992 7.301 -0.309 18980 1109 1 5 . 1 1 24 24 ILE N N 24 105.931 105.931 112.988 -7.057 18980 1110 1 5 . 1 1 24 24 ILE HA H 24 4.313 4.313 4.324 -0.011 18980 1111 1 5 . 1 1 24 24 ILE CA C 24 56.515 56.515 58.282 -1.767 18980 1112 1 5 . 1 1 24 24 ILE CB C 24 38.320 38.320 41.421 -3.101 18980 1113 1 5 . 1 1 24 24 ILE H H 24 7.578 7.578 7.949 -0.371 18980 1114 1 5 . 1 1 25 25 ALA N N 25 122.665 122.665 125.252 -2.587 18980 1115 1 5 . 1 1 25 25 ALA HA H 25 4.521 4.521 3.806 0.715 18980 1116 1 5 . 1 1 25 25 ALA CA C 25 53.097 53.097 54.810 -1.713 18980 1117 1 5 . 1 1 25 25 ALA CB C 25 16.460 16.460 17.977 -1.517 18980 1118 1 5 . 1 1 25 25 ALA H H 25 8.944 8.944 8.412 0.532 18980 1119 1 5 . 1 1 26 26 LYS N N 26 117.327 117.327 116.100 1.227 18980 1120 1 5 . 1 1 26 26 LYS HA H 26 2.735 2.735 4.070 -1.335 18980 1121 1 5 . 1 1 26 26 LYS CA C 26 55.268 55.268 58.932 -3.664 18980 1122 1 5 . 1 1 26 26 LYS CB C 26 31.527 31.527 32.273 -0.746 18980 1123 1 5 . 1 1 26 26 LYS H H 26 6.448 6.448 8.296 -1.848 18980 1124 1 5 . 1 1 27 27 ASN N N 27 111.844 111.844 117.170 -5.326 18980 1125 1 5 . 1 1 27 27 ASN HA H 27 4.844 4.844 4.712 0.132 18980 1126 1 5 . 1 1 27 27 ASN CA C 27 48.766 48.766 53.048 -4.282 18980 1127 1 5 . 1 1 27 27 ASN CB C 27 37.372 37.372 39.627 -2.255 18980 1128 1 5 . 1 1 27 27 ASN H H 27 7.536 7.536 7.726 -0.190 18980 1129 1 5 . 1 1 28 28 CYS N N 28 122.908 122.908 119.534 3.374 18980 1130 1 5 . 1 1 28 28 CYS HA H 28 3.590 3.590 4.143 -0.553 18980 1131 1 5 . 1 1 28 28 CYS CA C 28 58.923 58.923 59.586 -0.663 18980 1132 1 5 . 1 1 28 28 CYS CB C 28 28.111 28.111 28.030 0.081 18980 1133 1 5 . 1 1 28 28 CYS H H 28 7.195 7.195 7.782 -0.587 18980 1134 1 5 . 1 1 29 29 ARG N N 29 129.416 129.416 125.346 4.070 18980 1135 1 5 . 1 1 29 29 ARG HA H 29 4.446 4.446 4.475 -0.029 18980 1136 1 5 . 1 1 29 29 ARG CA C 29 52.480 52.480 55.410 -2.930 18980 1137 1 5 . 1 1 29 29 ARG CB C 29 27.564 27.564 30.324 -2.760 18980 1138 1 5 . 1 1 29 29 ARG H H 29 8.885 8.885 8.405 0.480 18980 1139 1 5 . 1 1 30 30 ALA N N 30 127.959 127.959 126.255 1.704 18980 1140 1 5 . 1 1 30 30 ALA HA H 30 4.475 4.475 4.467 0.008 18980 1141 1 5 . 1 1 30 30 ALA CA C 30 48.220 48.220 50.752 -2.532 18980 1142 1 5 . 1 1 30 30 ALA CB C 30 15.112 15.112 18.306 -3.194 18980 1143 1 5 . 1 1 30 30 ALA H H 30 8.744 8.744 7.569 1.175 18980 1144 1 5 . 1 1 31 31 PRO HA H 31 4.238 4.238 4.448 -0.210 18980 1145 1 5 . 1 1 31 31 PRO CA C 31 60.017 60.017 62.965 -2.947 18980 1146 1 5 . 1 1 31 31 PRO CB C 31 28.726 28.726 32.564 -3.838 18980 1147 1 5 . 1 1 32 32 ARG N N 32 123.635 123.635 122.411 1.224 18980 1148 1 5 . 1 1 32 32 ARG HA H 32 4.391 4.391 4.698 -0.307 18980 1149 1 5 . 1 1 32 32 ARG CA C 32 53.336 53.336 55.337 -2.001 18980 1150 1 5 . 1 1 32 32 ARG CB C 32 27.689 27.689 31.434 -3.745 18980 1151 1 5 . 1 1 32 32 ARG H H 32 8.740 8.740 8.435 0.305 18980 1152 1 5 . 1 1 33 33 LYS N N 33 127.972 127.972 123.800 4.172 18980 1153 1 5 . 1 1 33 33 LYS HA H 33 4.339 4.339 4.380 -0.041 18980 1154 1 5 . 1 1 33 33 LYS CA C 33 53.372 53.372 56.604 -3.232 18980 1155 1 5 . 1 1 33 33 LYS CB C 33 30.439 30.439 33.153 -2.713 18980 1156 1 5 . 1 1 33 33 LYS H H 33 8.868 8.868 8.909 -0.041 18980 1157 1 5 . 1 1 34 34 LYS N N 34 120.697 120.697 120.582 0.115 18980 1158 1 5 . 1 1 34 34 LYS HA H 34 4.393 4.393 4.359 0.034 18980 1159 1 5 . 1 1 34 34 LYS CA C 34 54.385 54.385 55.965 -1.580 18980 1160 1 5 . 1 1 34 34 LYS CB C 34 30.651 30.651 32.483 -1.833 18980 1161 1 5 . 1 1 34 34 LYS H H 34 8.300 8.300 8.587 -0.287 18980 1162 1 5 . 1 1 35 35 GLY N N 35 109.787 109.787 105.726 4.061 18980 1163 1 5 . 1 1 35 35 GLY CA C 35 40.646 40.646 44.632 -3.986 18980 1164 1 5 . 1 1 35 35 GLY H H 35 8.518 8.518 7.338 1.180 18980 1165 1 5 . 1 1 36 36 CYS N N 36 122.657 122.657 119.688 2.969 18980 1166 1 5 . 1 1 36 36 CYS HA H 36 3.994 3.994 4.084 -0.090 18980 1167 1 5 . 1 1 36 36 CYS CA C 36 57.328 57.328 58.590 -1.262 18980 1168 1 5 . 1 1 36 36 CYS CB C 36 27.259 27.259 28.251 -0.992 18980 1169 1 5 . 1 1 36 36 CYS H H 36 8.249 8.249 8.035 0.214 18980 1170 1 5 . 1 1 37 37 TRP N N 37 132.646 132.646 125.789 6.857 18980 1171 1 5 . 1 1 37 37 TRP HA H 37 4.763 4.763 4.587 0.176 18980 1172 1 5 . 1 1 37 37 TRP CA C 37 54.955 54.955 57.547 -2.592 18980 1173 1 5 . 1 1 37 37 TRP CB C 37 26.102 26.102 29.284 -3.182 18980 1174 1 5 . 1 1 37 37 TRP H H 37 9.218 9.218 8.305 0.913 18980 1175 1 5 . 1 1 38 38 LYS N N 38 121.676 121.676 119.144 2.532 18980 1176 1 5 . 1 1 38 38 LYS HA H 38 4.200 4.200 4.012 0.188 18980 1177 1 5 . 1 1 38 38 LYS CA C 38 55.916 55.916 58.960 -3.044 18980 1178 1 5 . 1 1 38 38 LYS CB C 38 31.288 31.288 33.048 -1.760 18980 1179 1 5 . 1 1 38 38 LYS H H 38 9.626 9.626 7.865 1.761 18980 1180 1 5 . 1 1 39 39 CYS N N 39 117.746 117.746 112.318 5.428 18980 1181 1 5 . 1 1 39 39 CYS HA H 39 4.929 4.929 4.862 0.067 18980 1182 1 5 . 1 1 39 39 CYS CA C 39 56.058 56.058 57.297 -1.239 18980 1183 1 5 . 1 1 39 39 CYS CB C 39 29.705 29.705 29.234 0.471 18980 1184 1 5 . 1 1 39 39 CYS H H 39 8.612 8.612 7.806 0.806 18980 1185 1 5 . 1 1 40 40 GLY N N 40 113.510 113.510 110.638 2.872 18980 1186 1 5 . 1 1 40 40 GLY CA C 40 43.398 43.398 45.385 -1.987 18980 1187 1 5 . 1 1 40 40 GLY H H 40 8.050 8.050 7.972 0.078 18980 1188 1 5 . 1 1 41 41 LYS N N 41 121.911 121.911 121.338 0.573 18980 1189 1 5 . 1 1 41 41 LYS HA H 41 4.296 4.296 4.503 -0.207 18980 1190 1 5 . 1 1 41 41 LYS CA C 41 54.068 54.068 55.665 -1.597 18980 1191 1 5 . 1 1 41 41 LYS CB C 41 30.765 30.765 33.460 -2.695 18980 1192 1 5 . 1 1 41 41 LYS H H 41 8.340 8.340 7.536 0.804 18980 1193 1 5 . 1 1 42 42 GLU N N 42 119.418 119.418 119.743 -0.325 18980 1194 1 5 . 1 1 42 42 GLU HA H 42 4.116 4.116 4.198 -0.082 18980 1195 1 5 . 1 1 42 42 GLU CA C 42 54.054 54.054 56.340 -2.285 18980 1196 1 5 . 1 1 42 42 GLU CB C 42 27.786 27.786 30.322 -2.536 18980 1197 1 5 . 1 1 42 42 GLU H H 42 8.501 8.501 8.520 -0.019 18980 1198 1 5 . 1 1 43 43 GLY N N 43 107.782 107.782 108.604 -0.822 18980 1199 1 5 . 1 1 43 43 GLY CA C 43 42.789 42.789 45.910 -3.121 18980 1200 1 5 . 1 1 43 43 GLY H H 43 8.719 8.719 8.846 -0.127 18980 1201 1 5 . 1 1 44 44 HIS N N 44 111.284 111.284 116.050 -4.766 18980 1202 1 5 . 1 1 44 44 HIS HA H 44 4.587 4.587 4.715 -0.128 18980 1203 1 5 . 1 1 44 44 HIS CA C 44 52.665 52.665 54.260 -1.595 18980 1204 1 5 . 1 1 44 44 HIS CB C 44 27.416 27.416 30.459 -3.043 18980 1205 1 5 . 1 1 44 44 HIS H H 44 6.810 6.810 7.712 -0.902 18980 1206 1 5 . 1 1 45 45 GLN N N 45 117.297 117.297 118.988 -1.691 18980 1207 1 5 . 1 1 45 45 GLN HA H 45 3.773 3.773 4.414 -0.641 18980 1208 1 5 . 1 1 45 45 GLN CA C 45 51.454 51.454 54.224 -2.770 18980 1209 1 5 . 1 1 45 45 GLN CB C 45 28.905 28.905 30.943 -2.038 18980 1210 1 5 . 1 1 45 45 GLN H H 45 8.781 8.781 8.560 0.221 18980 1211 1 5 . 1 1 46 46 MET N N 46 117.926 117.926 123.059 -5.133 18980 1212 1 5 . 1 1 46 46 MET HA H 46 4.820 4.820 4.302 0.518 18980 1213 1 5 . 1 1 46 46 MET CA C 46 57.542 57.542 58.285 -0.743 18980 1214 1 5 . 1 1 46 46 MET CB C 46 29.549 29.549 32.154 -2.605 18980 1215 1 5 . 1 1 46 46 MET H H 46 9.008 9.008 8.683 0.325 18980 1216 1 5 . 1 1 47 47 LYS N N 47 117.631 117.631 116.980 0.651 18980 1217 1 5 . 1 1 47 47 LYS HA H 47 3.448 3.448 4.151 -0.703 18980 1218 1 5 . 1 1 47 47 LYS CA C 47 54.988 54.988 58.179 -3.191 18980 1219 1 5 . 1 1 47 47 LYS CB C 47 28.285 28.285 31.633 -3.348 18980 1220 1 5 . 1 1 47 47 LYS H H 47 6.430 6.430 8.024 -1.594 18980 1221 1 5 . 1 1 48 48 ASP N N 48 117.363 117.363 119.308 -1.945 18980 1222 1 5 . 1 1 48 48 ASP HA H 48 4.780 4.780 4.709 0.071 18980 1223 1 5 . 1 1 48 48 ASP CA C 48 50.600 50.600 54.609 -4.010 18980 1224 1 5 . 1 1 48 48 ASP CB C 48 40.029 40.029 41.629 -1.600 18980 1225 1 5 . 1 1 48 48 ASP H H 48 7.560 7.560 7.931 -0.371 18980 1226 1 5 . 1 1 49 49 CYS N N 49 122.910 122.910 118.686 4.224 18980 1227 1 5 . 1 1 49 49 CYS HA H 49 3.682 3.682 4.666 -0.984 18980 1228 1 5 . 1 1 49 49 CYS CA C 49 59.557 59.557 57.961 1.596 18980 1229 1 5 . 1 1 49 49 CYS CB C 49 28.040 28.040 29.287 -1.247 18980 1230 1 5 . 1 1 49 49 CYS H H 49 7.091 7.091 7.639 -0.548 18980 1231 1 5 . 1 1 50 50 THR N N 50 119.675 119.675 120.684 -1.009 18980 1232 1 5 . 1 1 50 50 THR HA H 50 4.293 4.293 4.223 0.070 18980 1233 1 5 . 1 1 50 50 THR CA C 50 58.855 58.855 63.729 -4.874 18980 1234 1 5 . 1 1 50 50 THR CB C 50 66.355 66.355 69.180 -2.825 18980 1235 1 5 . 1 1 50 50 THR H H 50 8.139 8.139 8.537 -0.398 18980 1236 1 5 . 1 1 51 51 GLU N N 51 124.935 124.935 120.767 4.168 18980 1237 1 5 . 1 1 51 51 GLU HA H 51 4.164 4.164 4.463 -0.299 18980 1238 1 5 . 1 1 51 51 GLU CA C 51 54.061 54.061 55.478 -1.417 18980 1239 1 5 . 1 1 51 51 GLU CB C 51 27.130 27.130 31.485 -4.354 18980 1240 1 5 . 1 1 51 51 GLU H H 51 8.551 8.551 7.936 0.615 18980 1241 1 5 . 1 1 52 52 ARG N N 52 122.624 122.624 120.700 1.924 18980 1242 1 5 . 1 1 52 52 ARG HA H 52 4.248 4.248 4.287 -0.039 18980 1243 1 5 . 1 1 52 52 ARG CA C 52 53.402 53.402 56.352 -2.950 18980 1244 1 5 . 1 1 52 52 ARG CB C 52 28.028 28.028 30.820 -2.792 18980 1245 1 5 . 1 1 52 52 ARG H H 52 8.287 8.287 8.518 -0.231 18980 1246 1 5 . 1 1 53 53 GLN N N 53 121.647 121.647 121.170 0.477 18980 1247 1 5 . 1 1 53 53 GLN HA H 53 4.248 4.248 4.398 -0.150 18980 1248 1 5 . 1 1 53 53 GLN CA C 53 52.946 52.946 55.650 -2.704 18980 1249 1 5 . 1 1 53 53 GLN CB C 53 26.794 26.794 29.148 -2.354 18980 1250 1 5 . 1 1 53 53 GLN H H 53 8.381 8.381 8.603 -0.222 18980 1251 1 5 . 1 1 54 54 ALA N N 54 125.878 125.878 123.700 2.178 18980 1252 1 5 . 1 1 54 54 ALA HA H 54 4.296 4.296 4.344 -0.048 18980 1253 1 5 . 1 1 54 54 ALA CA C 54 49.575 49.575 52.653 -3.078 18980 1254 1 5 . 1 1 54 54 ALA CB C 54 16.704 16.704 17.510 -0.806 18980 1255 1 5 . 1 1 54 54 ALA H H 54 8.338 8.338 8.580 -0.242 18980 1256 1 6 . 1 1 2 2 GLN N N 2 125.073 125.073 125.488 -0.415 18980 1257 1 6 . 1 1 2 2 GLN HA H 2 4.309 4.309 4.605 -0.296 18980 1258 1 6 . 1 1 2 2 GLN CA C 2 52.755 52.755 54.716 -1.961 18980 1259 1 6 . 1 1 2 2 GLN CB C 2 26.728 26.728 31.641 -4.913 18980 1260 1 6 . 1 1 2 2 GLN H H 2 8.503 8.503 8.203 0.300 18980 1261 1 6 . 1 1 3 3 LYS N N 3 123.202 123.202 119.496 3.706 18980 1262 1 6 . 1 1 3 3 LYS HA H 3 4.271 4.271 4.078 0.193 18980 1263 1 6 . 1 1 3 3 LYS CA C 3 53.658 53.658 57.695 -4.037 18980 1264 1 6 . 1 1 3 3 LYS CB C 3 30.442 30.442 32.556 -2.114 18980 1265 1 6 . 1 1 3 3 LYS H H 3 8.414 8.414 8.457 -0.043 18980 1266 1 6 . 1 1 4 4 GLY N N 4 109.574 109.574 109.101 0.473 18980 1267 1 6 . 1 1 4 4 GLY CA C 4 42.455 42.455 45.554 -3.099 18980 1268 1 6 . 1 1 4 4 GLY H H 4 8.394 8.394 8.963 -0.569 18980 1269 1 6 . 1 1 5 5 ASN N N 5 118.311 118.311 117.793 0.518 18980 1270 1 6 . 1 1 5 5 ASN HA H 5 4.625 4.625 4.467 0.158 18980 1271 1 6 . 1 1 5 5 ASN CA C 5 50.146 50.146 53.012 -2.866 18980 1272 1 6 . 1 1 5 5 ASN CB C 5 36.059 36.059 38.929 -2.870 18980 1273 1 6 . 1 1 5 5 ASN H H 5 8.240 8.240 7.445 0.795 18980 1274 1 6 . 1 1 6 6 PHE N N 6 120.460 120.460 121.609 -1.149 18980 1275 1 6 . 1 1 6 6 PHE HA H 6 4.541 4.541 4.555 -0.014 18980 1276 1 6 . 1 1 6 6 PHE CA C 6 55.112 55.112 57.427 -2.315 18980 1277 1 6 . 1 1 6 6 PHE CB C 6 36.457 36.457 38.808 -2.351 18980 1278 1 6 . 1 1 6 6 PHE H H 6 8.164 8.164 7.468 0.696 18980 1279 1 6 . 1 1 7 7 ARG N N 7 121.606 121.606 119.130 2.476 18980 1280 1 6 . 1 1 7 7 ARG HA H 7 4.193 4.193 4.278 -0.085 18980 1281 1 6 . 1 1 7 7 ARG CA C 7 53.586 53.586 56.646 -3.060 18980 1282 1 6 . 1 1 7 7 ARG CB C 7 27.788 27.788 28.726 -0.938 18980 1283 1 6 . 1 1 7 7 ARG H H 7 8.184 8.184 8.768 -0.584 18980 1284 1 6 . 1 1 8 8 ASN N N 8 118.773 118.773 115.540 3.233 18980 1285 1 6 . 1 1 8 8 ASN HA H 8 4.570 4.570 4.608 -0.038 18980 1286 1 6 . 1 1 8 8 ASN CA C 8 50.518 50.518 54.994 -4.476 18980 1287 1 6 . 1 1 8 8 ASN CB C 8 35.894 35.894 37.779 -1.885 18980 1288 1 6 . 1 1 8 8 ASN H H 8 8.294 8.294 8.729 -0.435 18980 1289 1 6 . 1 1 9 9 GLN N N 9 120.522 120.522 116.674 3.848 18980 1290 1 6 . 1 1 9 9 GLN HA H 9 4.245 4.245 4.563 -0.318 18980 1291 1 6 . 1 1 9 9 GLN CA C 9 53.202 53.202 56.552 -3.350 18980 1292 1 6 . 1 1 9 9 GLN CB C 9 26.688 26.688 30.193 -3.505 18980 1293 1 6 . 1 1 9 9 GLN H H 9 8.218 8.218 8.196 0.022 18980 1294 1 6 . 1 1 10 10 ARG N N 10 121.826 121.826 119.379 2.447 18980 1295 1 6 . 1 1 10 10 ARG HA H 10 4.244 4.244 4.532 -0.288 18980 1296 1 6 . 1 1 10 10 ARG CA C 10 53.208 53.208 56.916 -3.708 18980 1297 1 6 . 1 1 10 10 ARG CB C 10 27.939 27.939 31.969 -4.030 18980 1298 1 6 . 1 1 10 10 ARG H H 10 8.273 8.273 8.432 -0.159 18980 1299 1 6 . 1 1 11 11 LYS N N 11 122.737 122.737 119.252 3.485 18980 1300 1 6 . 1 1 11 11 LYS HA H 11 4.263 4.263 4.392 -0.129 18980 1301 1 6 . 1 1 11 11 LYS CA C 11 53.578 53.578 57.520 -3.942 18980 1302 1 6 . 1 1 11 11 LYS CB C 11 30.323 30.323 33.516 -3.193 18980 1303 1 6 . 1 1 11 11 LYS H H 11 8.299 8.299 8.220 0.079 18980 1304 1 6 . 1 1 12 12 THR N N 12 116.442 116.442 111.358 5.084 18980 1305 1 6 . 1 1 12 12 THR HA H 12 4.254 4.254 4.606 -0.352 18980 1306 1 6 . 1 1 12 12 THR CA C 12 58.726 58.726 60.361 -1.635 18980 1307 1 6 . 1 1 12 12 THR CB C 12 66.915 66.915 71.526 -4.611 18980 1308 1 6 . 1 1 12 12 THR H H 12 8.088 8.088 7.816 0.272 18980 1309 1 6 . 1 1 13 13 VAL N N 13 122.626 122.626 118.232 4.394 18980 1310 1 6 . 1 1 13 13 VAL HA H 13 4.021 4.021 4.560 -0.539 18980 1311 1 6 . 1 1 13 13 VAL CA C 13 58.497 58.497 61.093 -2.596 18980 1312 1 6 . 1 1 13 13 VAL CB C 13 30.485 30.485 35.595 -5.110 18980 1313 1 6 . 1 1 13 13 VAL H H 13 8.209 8.209 8.192 0.017 18980 1314 1 6 . 1 1 14 14 LYS N N 14 123.504 123.504 126.566 -3.062 18980 1315 1 6 . 1 1 14 14 LYS HA H 14 4.412 4.412 4.602 -0.190 18980 1316 1 6 . 1 1 14 14 LYS CA C 14 51.599 51.599 54.716 -3.117 18980 1317 1 6 . 1 1 14 14 LYS CB C 14 31.540 31.540 35.497 -3.957 18980 1318 1 6 . 1 1 14 14 LYS H H 14 8.012 8.012 8.241 -0.229 18980 1319 1 6 . 1 1 15 15 CYS N N 15 129.731 129.731 126.261 3.470 18980 1320 1 6 . 1 1 15 15 CYS HA H 15 4.215 4.215 4.146 0.069 18980 1321 1 6 . 1 1 15 15 CYS CA C 15 56.967 56.967 58.804 -1.837 18980 1322 1 6 . 1 1 15 15 CYS CB C 15 27.829 27.829 27.820 0.009 18980 1323 1 6 . 1 1 15 15 CYS H H 15 8.256 8.256 8.455 -0.199 18980 1324 1 6 . 1 1 16 16 PHE N N 16 128.836 128.836 124.724 4.112 18980 1325 1 6 . 1 1 16 16 PHE HA H 16 4.615 4.615 4.403 0.212 18980 1326 1 6 . 1 1 16 16 PHE CA C 16 56.137 56.137 57.912 -1.775 18980 1327 1 6 . 1 1 16 16 PHE CB C 16 37.103 37.103 38.555 -1.452 18980 1328 1 6 . 1 1 16 16 PHE H H 16 9.299 9.299 8.450 0.849 18980 1329 1 6 . 1 1 17 17 ASN N N 17 118.280 118.280 119.086 -0.806 18980 1330 1 6 . 1 1 17 17 ASN HA H 17 3.816 3.816 4.228 -0.412 18980 1331 1 6 . 1 1 17 17 ASN CA C 17 53.075 53.075 55.809 -2.734 18980 1332 1 6 . 1 1 17 17 ASN CB C 17 36.212 36.212 38.470 -2.258 18980 1333 1 6 . 1 1 17 17 ASN H H 17 9.156 9.156 7.589 1.567 18980 1334 1 6 . 1 1 18 18 CYS N N 18 116.876 116.876 113.360 3.516 18980 1335 1 6 . 1 1 18 18 CYS HA H 18 4.696 4.696 4.563 0.133 18980 1336 1 6 . 1 1 18 18 CYS CA C 18 56.126 56.126 58.248 -2.122 18980 1337 1 6 . 1 1 18 18 CYS CB C 18 29.066 29.066 27.694 1.372 18980 1338 1 6 . 1 1 18 18 CYS H H 18 8.489 8.489 7.467 1.022 18980 1339 1 6 . 1 1 19 19 GLY N N 19 112.394 112.394 108.414 3.980 18980 1340 1 6 . 1 1 19 19 GLY CA C 19 43.589 43.589 45.408 -1.819 18980 1341 1 6 . 1 1 19 19 GLY H H 19 7.703 7.703 8.318 -0.615 18980 1342 1 6 . 1 1 20 20 LYS N N 20 120.951 120.951 121.954 -1.003 18980 1343 1 6 . 1 1 20 20 LYS HA H 20 4.364 4.364 4.487 -0.123 18980 1344 1 6 . 1 1 20 20 LYS CA C 20 53.066 53.066 55.053 -1.987 18980 1345 1 6 . 1 1 20 20 LYS CB C 20 30.653 30.653 33.325 -2.672 18980 1346 1 6 . 1 1 20 20 LYS H H 20 8.162 8.162 7.430 0.732 18980 1347 1 6 . 1 1 21 21 GLU N N 21 119.095 119.095 120.640 -1.545 18980 1348 1 6 . 1 1 21 21 GLU HA H 21 4.602 4.602 4.260 0.342 18980 1349 1 6 . 1 1 21 21 GLU CA C 21 53.327 53.327 58.415 -5.088 18980 1350 1 6 . 1 1 21 21 GLU CB C 21 28.049 28.049 30.173 -2.124 18980 1351 1 6 . 1 1 21 21 GLU H H 21 8.454 8.454 8.720 -0.266 18980 1352 1 6 . 1 1 22 22 GLY N N 22 107.727 107.727 108.726 -0.999 18980 1353 1 6 . 1 1 22 22 GLY CA C 22 42.965 42.965 45.967 -3.002 18980 1354 1 6 . 1 1 22 22 GLY H H 22 8.639 8.639 8.467 0.172 18980 1355 1 6 . 1 1 23 23 HIS N N 23 113.019 113.019 115.722 -2.703 18980 1356 1 6 . 1 1 23 23 HIS HA H 23 4.613 4.613 4.743 -0.130 18980 1357 1 6 . 1 1 23 23 HIS CA C 23 52.409 52.409 54.640 -2.231 18980 1358 1 6 . 1 1 23 23 HIS CB C 23 27.389 27.389 31.367 -3.978 18980 1359 1 6 . 1 1 23 23 HIS H H 23 6.992 6.992 7.320 -0.328 18980 1360 1 6 . 1 1 24 24 ILE N N 24 105.931 105.931 112.612 -6.681 18980 1361 1 6 . 1 1 24 24 ILE HA H 24 4.313 4.313 4.346 -0.033 18980 1362 1 6 . 1 1 24 24 ILE CA C 24 56.515 56.515 58.265 -1.750 18980 1363 1 6 . 1 1 24 24 ILE CB C 24 38.320 38.320 41.492 -3.172 18980 1364 1 6 . 1 1 24 24 ILE H H 24 7.578 7.578 8.008 -0.430 18980 1365 1 6 . 1 1 25 25 ALA N N 25 122.665 122.665 125.454 -2.789 18980 1366 1 6 . 1 1 25 25 ALA HA H 25 4.521 4.521 3.816 0.705 18980 1367 1 6 . 1 1 25 25 ALA CA C 25 53.097 53.097 54.792 -1.695 18980 1368 1 6 . 1 1 25 25 ALA CB C 25 16.460 16.460 17.919 -1.459 18980 1369 1 6 . 1 1 25 25 ALA H H 25 8.944 8.944 8.413 0.531 18980 1370 1 6 . 1 1 26 26 LYS N N 26 117.327 117.327 116.309 1.018 18980 1371 1 6 . 1 1 26 26 LYS HA H 26 2.735 2.735 4.065 -1.330 18980 1372 1 6 . 1 1 26 26 LYS CA C 26 55.268 55.268 59.066 -3.798 18980 1373 1 6 . 1 1 26 26 LYS CB C 26 31.527 31.527 32.272 -0.745 18980 1374 1 6 . 1 1 26 26 LYS H H 26 6.448 6.448 8.300 -1.852 18980 1375 1 6 . 1 1 27 27 ASN N N 27 111.844 111.844 117.306 -5.462 18980 1376 1 6 . 1 1 27 27 ASN HA H 27 4.844 4.844 4.681 0.163 18980 1377 1 6 . 1 1 27 27 ASN CA C 27 48.766 48.766 53.349 -4.583 18980 1378 1 6 . 1 1 27 27 ASN CB C 27 37.372 37.372 39.409 -2.037 18980 1379 1 6 . 1 1 27 27 ASN H H 27 7.536 7.536 7.691 -0.155 18980 1380 1 6 . 1 1 28 28 CYS N N 28 122.908 122.908 120.184 2.724 18980 1381 1 6 . 1 1 28 28 CYS HA H 28 3.590 3.590 4.118 -0.528 18980 1382 1 6 . 1 1 28 28 CYS CA C 28 58.923 58.923 60.163 -1.240 18980 1383 1 6 . 1 1 28 28 CYS CB C 28 28.111 28.111 27.799 0.312 18980 1384 1 6 . 1 1 28 28 CYS H H 28 7.195 7.195 7.899 -0.704 18980 1385 1 6 . 1 1 29 29 ARG N N 29 129.416 129.416 125.067 4.349 18980 1386 1 6 . 1 1 29 29 ARG HA H 29 4.446 4.446 4.509 -0.063 18980 1387 1 6 . 1 1 29 29 ARG CA C 29 52.480 52.480 55.457 -2.977 18980 1388 1 6 . 1 1 29 29 ARG CB C 29 27.564 27.564 29.999 -2.435 18980 1389 1 6 . 1 1 29 29 ARG H H 29 8.885 8.885 8.531 0.354 18980 1390 1 6 . 1 1 30 30 ALA N N 30 127.959 127.959 125.687 2.272 18980 1391 1 6 . 1 1 30 30 ALA HA H 30 4.475 4.475 4.465 0.010 18980 1392 1 6 . 1 1 30 30 ALA CA C 30 48.220 48.220 50.734 -2.514 18980 1393 1 6 . 1 1 30 30 ALA CB C 30 15.112 15.112 18.522 -3.410 18980 1394 1 6 . 1 1 30 30 ALA H H 30 8.744 8.744 7.458 1.286 18980 1395 1 6 . 1 1 31 31 PRO HA H 31 4.238 4.238 4.437 -0.199 18980 1396 1 6 . 1 1 31 31 PRO CA C 31 60.017 60.017 63.028 -3.011 18980 1397 1 6 . 1 1 31 31 PRO CB C 31 28.726 28.726 32.531 -3.805 18980 1398 1 6 . 1 1 32 32 ARG N N 32 123.635 123.635 122.213 1.422 18980 1399 1 6 . 1 1 32 32 ARG HA H 32 4.391 4.391 4.690 -0.299 18980 1400 1 6 . 1 1 32 32 ARG CA C 32 53.336 53.336 55.370 -2.034 18980 1401 1 6 . 1 1 32 32 ARG CB C 32 27.689 27.689 31.880 -4.191 18980 1402 1 6 . 1 1 32 32 ARG H H 32 8.740 8.740 8.433 0.307 18980 1403 1 6 . 1 1 33 33 LYS N N 33 127.972 127.972 123.850 4.122 18980 1404 1 6 . 1 1 33 33 LYS HA H 33 4.339 4.339 4.368 -0.029 18980 1405 1 6 . 1 1 33 33 LYS CA C 33 53.372 53.372 56.621 -3.249 18980 1406 1 6 . 1 1 33 33 LYS CB C 33 30.439 30.439 33.174 -2.735 18980 1407 1 6 . 1 1 33 33 LYS H H 33 8.868 8.868 8.910 -0.042 18980 1408 1 6 . 1 1 34 34 LYS N N 34 120.697 120.697 121.289 -0.592 18980 1409 1 6 . 1 1 34 34 LYS HA H 34 4.393 4.393 4.310 0.083 18980 1410 1 6 . 1 1 34 34 LYS CA C 34 54.385 54.385 56.042 -1.657 18980 1411 1 6 . 1 1 34 34 LYS CB C 34 30.651 30.651 32.344 -1.693 18980 1412 1 6 . 1 1 34 34 LYS H H 34 8.300 8.300 8.599 -0.299 18980 1413 1 6 . 1 1 35 35 GLY N N 35 109.787 109.787 105.257 4.530 18980 1414 1 6 . 1 1 35 35 GLY CA C 35 40.646 40.646 44.540 -3.894 18980 1415 1 6 . 1 1 35 35 GLY H H 35 8.518 8.518 7.322 1.196 18980 1416 1 6 . 1 1 36 36 CYS N N 36 122.657 122.657 119.967 2.690 18980 1417 1 6 . 1 1 36 36 CYS HA H 36 3.994 3.994 4.090 -0.096 18980 1418 1 6 . 1 1 36 36 CYS CA C 36 57.328 57.328 58.531 -1.203 18980 1419 1 6 . 1 1 36 36 CYS CB C 36 27.259 27.259 28.142 -0.883 18980 1420 1 6 . 1 1 36 36 CYS H H 36 8.249 8.249 8.015 0.234 18980 1421 1 6 . 1 1 37 37 TRP N N 37 132.646 132.646 126.589 6.057 18980 1422 1 6 . 1 1 37 37 TRP HA H 37 4.763 4.763 4.512 0.251 18980 1423 1 6 . 1 1 37 37 TRP CA C 37 54.955 54.955 57.889 -2.934 18980 1424 1 6 . 1 1 37 37 TRP CB C 37 26.102 26.102 29.069 -2.967 18980 1425 1 6 . 1 1 37 37 TRP H H 37 9.218 9.218 8.408 0.810 18980 1426 1 6 . 1 1 38 38 LYS N N 38 121.676 121.676 119.608 2.068 18980 1427 1 6 . 1 1 38 38 LYS HA H 38 4.200 4.200 4.031 0.169 18980 1428 1 6 . 1 1 38 38 LYS CA C 38 55.916 55.916 58.997 -3.081 18980 1429 1 6 . 1 1 38 38 LYS CB C 38 31.288 31.288 32.933 -1.645 18980 1430 1 6 . 1 1 38 38 LYS H H 38 9.626 9.626 7.848 1.778 18980 1431 1 6 . 1 1 39 39 CYS N N 39 117.746 117.746 111.840 5.906 18980 1432 1 6 . 1 1 39 39 CYS HA H 39 4.929 4.929 4.802 0.127 18980 1433 1 6 . 1 1 39 39 CYS CA C 39 56.058 56.058 57.531 -1.473 18980 1434 1 6 . 1 1 39 39 CYS CB C 39 29.705 29.705 29.421 0.284 18980 1435 1 6 . 1 1 39 39 CYS H H 39 8.612 8.612 7.693 0.919 18980 1436 1 6 . 1 1 40 40 GLY N N 40 113.510 113.510 111.246 2.264 18980 1437 1 6 . 1 1 40 40 GLY CA C 40 43.398 43.398 45.477 -2.079 18980 1438 1 6 . 1 1 40 40 GLY H H 40 8.050 8.050 7.977 0.073 18980 1439 1 6 . 1 1 41 41 LYS N N 41 121.911 121.911 121.451 0.460 18980 1440 1 6 . 1 1 41 41 LYS HA H 41 4.296 4.296 4.431 -0.135 18980 1441 1 6 . 1 1 41 41 LYS CA C 41 54.068 54.068 55.804 -1.736 18980 1442 1 6 . 1 1 41 41 LYS CB C 41 30.765 30.765 33.208 -2.443 18980 1443 1 6 . 1 1 41 41 LYS H H 41 8.340 8.340 7.493 0.847 18980 1444 1 6 . 1 1 42 42 GLU N N 42 119.418 119.418 120.102 -0.684 18980 1445 1 6 . 1 1 42 42 GLU HA H 42 4.116 4.116 4.292 -0.176 18980 1446 1 6 . 1 1 42 42 GLU CA C 42 54.054 54.054 56.385 -2.330 18980 1447 1 6 . 1 1 42 42 GLU CB C 42 27.786 27.786 30.467 -2.681 18980 1448 1 6 . 1 1 42 42 GLU H H 42 8.501 8.501 8.477 0.024 18980 1449 1 6 . 1 1 43 43 GLY N N 43 107.782 107.782 108.225 -0.443 18980 1450 1 6 . 1 1 43 43 GLY CA C 43 42.789 42.789 45.931 -3.142 18980 1451 1 6 . 1 1 43 43 GLY H H 43 8.719 8.719 8.856 -0.137 18980 1452 1 6 . 1 1 44 44 HIS N N 44 111.284 111.284 116.110 -4.826 18980 1453 1 6 . 1 1 44 44 HIS HA H 44 4.587 4.587 4.712 -0.125 18980 1454 1 6 . 1 1 44 44 HIS CA C 44 52.665 52.665 54.175 -1.510 18980 1455 1 6 . 1 1 44 44 HIS CB C 44 27.416 27.416 30.600 -3.184 18980 1456 1 6 . 1 1 44 44 HIS H H 44 6.810 6.810 7.714 -0.904 18980 1457 1 6 . 1 1 45 45 GLN N N 45 117.297 117.297 119.153 -1.856 18980 1458 1 6 . 1 1 45 45 GLN HA H 45 3.773 3.773 4.399 -0.626 18980 1459 1 6 . 1 1 45 45 GLN CA C 45 51.454 51.454 54.147 -2.693 18980 1460 1 6 . 1 1 45 45 GLN CB C 45 28.905 28.905 30.733 -1.828 18980 1461 1 6 . 1 1 45 45 GLN H H 45 8.781 8.781 8.632 0.149 18980 1462 1 6 . 1 1 46 46 MET N N 46 117.926 117.926 122.887 -4.961 18980 1463 1 6 . 1 1 46 46 MET HA H 46 4.820 4.820 4.336 0.484 18980 1464 1 6 . 1 1 46 46 MET CA C 46 57.542 57.542 58.010 -0.468 18980 1465 1 6 . 1 1 46 46 MET CB C 46 29.549 29.549 32.256 -2.707 18980 1466 1 6 . 1 1 46 46 MET H H 46 9.008 9.008 8.640 0.368 18980 1467 1 6 . 1 1 47 47 LYS N N 47 117.631 117.631 116.626 1.005 18980 1468 1 6 . 1 1 47 47 LYS HA H 47 3.448 3.448 4.183 -0.735 18980 1469 1 6 . 1 1 47 47 LYS CA C 47 54.988 54.988 58.054 -3.066 18980 1470 1 6 . 1 1 47 47 LYS CB C 47 28.285 28.285 31.911 -3.626 18980 1471 1 6 . 1 1 47 47 LYS H H 47 6.430 6.430 7.891 -1.461 18980 1472 1 6 . 1 1 48 48 ASP N N 48 117.363 117.363 119.639 -2.276 18980 1473 1 6 . 1 1 48 48 ASP HA H 48 4.780 4.780 4.657 0.123 18980 1474 1 6 . 1 1 48 48 ASP CA C 48 50.600 50.600 54.842 -4.242 18980 1475 1 6 . 1 1 48 48 ASP CB C 48 40.029 40.029 41.637 -1.608 18980 1476 1 6 . 1 1 48 48 ASP H H 48 7.560 7.560 7.946 -0.386 18980 1477 1 6 . 1 1 49 49 CYS N N 49 122.910 122.910 118.471 4.439 18980 1478 1 6 . 1 1 49 49 CYS HA H 49 3.682 3.682 4.581 -0.899 18980 1479 1 6 . 1 1 49 49 CYS CA C 49 59.557 59.557 58.258 1.298 18980 1480 1 6 . 1 1 49 49 CYS CB C 49 28.040 28.040 29.143 -1.103 18980 1481 1 6 . 1 1 49 49 CYS H H 49 7.091 7.091 7.434 -0.343 18980 1482 1 6 . 1 1 50 50 THR N N 50 119.675 119.675 120.675 -1.000 18980 1483 1 6 . 1 1 50 50 THR HA H 50 4.293 4.293 4.259 0.034 18980 1484 1 6 . 1 1 50 50 THR CA C 50 58.855 58.855 63.405 -4.550 18980 1485 1 6 . 1 1 50 50 THR CB C 50 66.355 66.355 69.003 -2.648 18980 1486 1 6 . 1 1 50 50 THR H H 50 8.139 8.139 8.586 -0.447 18980 1487 1 6 . 1 1 51 51 GLU N N 51 124.935 124.935 122.078 2.857 18980 1488 1 6 . 1 1 51 51 GLU HA H 51 4.164 4.164 4.327 -0.163 18980 1489 1 6 . 1 1 51 51 GLU CA C 51 54.061 54.061 56.115 -2.054 18980 1490 1 6 . 1 1 51 51 GLU CB C 51 27.130 27.130 30.375 -3.245 18980 1491 1 6 . 1 1 51 51 GLU H H 51 8.551 8.551 8.435 0.116 18980 1492 1 6 . 1 1 52 52 ARG N N 52 122.624 122.624 121.320 1.304 18980 1493 1 6 . 1 1 52 52 ARG HA H 52 4.248 4.248 4.586 -0.338 18980 1494 1 6 . 1 1 52 52 ARG CA C 52 53.402 53.402 54.747 -1.345 18980 1495 1 6 . 1 1 52 52 ARG CB C 52 28.028 28.028 31.520 -3.491 18980 1496 1 6 . 1 1 52 52 ARG H H 52 8.287 8.287 8.482 -0.195 18980 1497 1 6 . 1 1 53 53 GLN N N 53 121.647 121.647 119.407 2.240 18980 1498 1 6 . 1 1 53 53 GLN HA H 53 4.248 4.248 4.109 0.139 18980 1499 1 6 . 1 1 53 53 GLN CA C 53 52.946 52.946 57.352 -4.406 18980 1500 1 6 . 1 1 53 53 GLN CB C 53 26.794 26.794 29.495 -2.701 18980 1501 1 6 . 1 1 53 53 GLN H H 53 8.381 8.381 8.457 -0.076 18980 1502 1 6 . 1 1 54 54 ALA N N 54 125.878 125.878 117.807 8.071 18980 1503 1 6 . 1 1 54 54 ALA HA H 54 4.296 4.296 4.432 -0.136 18980 1504 1 6 . 1 1 54 54 ALA CA C 54 49.575 49.575 51.382 -1.807 18980 1505 1 6 . 1 1 54 54 ALA CB C 54 16.704 16.704 21.053 -4.349 18980 1506 1 6 . 1 1 54 54 ALA H H 54 8.338 8.338 7.708 0.630 18980 1507 1 7 . 1 1 2 2 GLN N N 2 125.073 125.073 124.457 0.616 18980 1508 1 7 . 1 1 2 2 GLN HA H 2 4.309 4.309 4.897 -0.588 18980 1509 1 7 . 1 1 2 2 GLN CA C 2 52.755 52.755 54.541 -1.786 18980 1510 1 7 . 1 1 2 2 GLN CB C 2 26.728 26.728 31.082 -4.354 18980 1511 1 7 . 1 1 2 2 GLN H H 2 8.503 8.503 8.415 0.088 18980 1512 1 7 . 1 1 3 3 LYS N N 3 123.202 123.202 123.828 -0.626 18980 1513 1 7 . 1 1 3 3 LYS HA H 3 4.271 4.271 4.317 -0.046 18980 1514 1 7 . 1 1 3 3 LYS CA C 3 53.658 53.658 55.861 -2.203 18980 1515 1 7 . 1 1 3 3 LYS CB C 3 30.442 30.442 31.211 -0.769 18980 1516 1 7 . 1 1 3 3 LYS H H 3 8.414 8.414 8.993 -0.579 18980 1517 1 7 . 1 1 4 4 GLY N N 4 109.574 109.574 111.528 -1.954 18980 1518 1 7 . 1 1 4 4 GLY CA C 4 42.455 42.455 46.458 -4.003 18980 1519 1 7 . 1 1 4 4 GLY H H 4 8.394 8.394 8.317 0.077 18980 1520 1 7 . 1 1 5 5 ASN N N 5 118.311 118.311 122.073 -3.762 18980 1521 1 7 . 1 1 5 5 ASN HA H 5 4.625 4.625 4.468 0.157 18980 1522 1 7 . 1 1 5 5 ASN CA C 5 50.146 50.146 53.856 -3.710 18980 1523 1 7 . 1 1 5 5 ASN CB C 5 36.059 36.059 38.531 -2.472 18980 1524 1 7 . 1 1 5 5 ASN H H 5 8.240 8.240 8.360 -0.120 18980 1525 1 7 . 1 1 6 6 PHE N N 6 120.460 120.460 118.120 2.340 18980 1526 1 7 . 1 1 6 6 PHE HA H 6 4.541 4.541 4.712 -0.171 18980 1527 1 7 . 1 1 6 6 PHE CA C 6 55.112 55.112 56.610 -1.498 18980 1528 1 7 . 1 1 6 6 PHE CB C 6 36.457 36.457 40.243 -3.786 18980 1529 1 7 . 1 1 6 6 PHE H H 6 8.164 8.164 7.399 0.765 18980 1530 1 7 . 1 1 7 7 ARG N N 7 121.606 121.606 121.131 0.475 18980 1531 1 7 . 1 1 7 7 ARG HA H 7 4.193 4.193 4.438 -0.245 18980 1532 1 7 . 1 1 7 7 ARG CA C 7 53.586 53.586 55.202 -1.616 18980 1533 1 7 . 1 1 7 7 ARG CB C 7 27.788 27.788 31.277 -3.489 18980 1534 1 7 . 1 1 7 7 ARG H H 7 8.184 8.184 8.788 -0.604 18980 1535 1 7 . 1 1 8 8 ASN N N 8 118.773 118.773 123.185 -4.412 18980 1536 1 7 . 1 1 8 8 ASN HA H 8 4.570 4.570 4.643 -0.073 18980 1537 1 7 . 1 1 8 8 ASN CA C 8 50.518 50.518 52.968 -2.450 18980 1538 1 7 . 1 1 8 8 ASN CB C 8 35.894 35.894 36.713 -0.819 18980 1539 1 7 . 1 1 8 8 ASN H H 8 8.294 8.294 9.079 -0.785 18980 1540 1 7 . 1 1 9 9 GLN N N 9 120.522 120.522 112.715 7.807 18980 1541 1 7 . 1 1 9 9 GLN HA H 9 4.245 4.245 3.978 0.267 18980 1542 1 7 . 1 1 9 9 GLN CA C 9 53.202 53.202 57.416 -4.214 18980 1543 1 7 . 1 1 9 9 GLN CB C 9 26.688 26.688 26.636 0.052 18980 1544 1 7 . 1 1 9 9 GLN H H 9 8.218 8.218 8.101 0.117 18980 1545 1 7 . 1 1 10 10 ARG N N 10 121.826 121.826 121.134 0.692 18980 1546 1 7 . 1 1 10 10 ARG HA H 10 4.244 4.244 4.247 -0.003 18980 1547 1 7 . 1 1 10 10 ARG CA C 10 53.208 53.208 56.628 -3.420 18980 1548 1 7 . 1 1 10 10 ARG CB C 10 27.939 27.939 30.118 -2.179 18980 1549 1 7 . 1 1 10 10 ARG H H 10 8.273 8.273 7.999 0.274 18980 1550 1 7 . 1 1 11 11 LYS N N 11 122.737 122.737 124.042 -1.305 18980 1551 1 7 . 1 1 11 11 LYS HA H 11 4.263 4.263 4.045 0.218 18980 1552 1 7 . 1 1 11 11 LYS CA C 11 53.578 53.578 58.468 -4.890 18980 1553 1 7 . 1 1 11 11 LYS CB C 11 30.323 30.323 31.838 -1.515 18980 1554 1 7 . 1 1 11 11 LYS H H 11 8.299 8.299 8.811 -0.512 18980 1555 1 7 . 1 1 12 12 THR N N 12 116.442 116.442 113.726 2.716 18980 1556 1 7 . 1 1 12 12 THR HA H 12 4.254 4.254 4.620 -0.366 18980 1557 1 7 . 1 1 12 12 THR CA C 12 58.726 58.726 61.178 -2.452 18980 1558 1 7 . 1 1 12 12 THR CB C 12 66.915 66.915 72.466 -5.551 18980 1559 1 7 . 1 1 12 12 THR H H 12 8.088 8.088 7.742 0.346 18980 1560 1 7 . 1 1 13 13 VAL N N 13 122.626 122.626 120.569 2.057 18980 1561 1 7 . 1 1 13 13 VAL HA H 13 4.021 4.021 4.593 -0.572 18980 1562 1 7 . 1 1 13 13 VAL CA C 13 58.497 58.497 60.145 -1.648 18980 1563 1 7 . 1 1 13 13 VAL CB C 13 30.485 30.485 35.837 -5.352 18980 1564 1 7 . 1 1 13 13 VAL H H 13 8.209 8.209 8.382 -0.173 18980 1565 1 7 . 1 1 14 14 LYS N N 14 123.504 123.504 126.459 -2.955 18980 1566 1 7 . 1 1 14 14 LYS HA H 14 4.412 4.412 4.713 -0.300 18980 1567 1 7 . 1 1 14 14 LYS CA C 14 51.599 51.599 54.293 -2.694 18980 1568 1 7 . 1 1 14 14 LYS CB C 14 31.540 31.540 35.611 -4.071 18980 1569 1 7 . 1 1 14 14 LYS H H 14 8.012 8.012 7.948 0.064 18980 1570 1 7 . 1 1 15 15 CYS N N 15 129.731 129.731 126.323 3.408 18980 1571 1 7 . 1 1 15 15 CYS HA H 15 4.215 4.215 4.160 0.055 18980 1572 1 7 . 1 1 15 15 CYS CA C 15 56.967 56.967 58.883 -1.916 18980 1573 1 7 . 1 1 15 15 CYS CB C 15 27.829 27.829 28.464 -0.635 18980 1574 1 7 . 1 1 15 15 CYS H H 15 8.256 8.256 8.530 -0.274 18980 1575 1 7 . 1 1 16 16 PHE N N 16 128.836 128.836 123.335 5.501 18980 1576 1 7 . 1 1 16 16 PHE HA H 16 4.615 4.615 3.502 1.113 18980 1577 1 7 . 1 1 16 16 PHE CA C 16 56.137 56.137 57.667 -1.530 18980 1578 1 7 . 1 1 16 16 PHE CB C 16 37.103 37.103 38.306 -1.202 18980 1579 1 7 . 1 1 16 16 PHE H H 16 9.299 9.299 8.179 1.120 18980 1580 1 7 . 1 1 17 17 ASN N N 17 118.280 118.280 118.122 0.158 18980 1581 1 7 . 1 1 17 17 ASN HA H 17 3.816 3.816 3.887 -0.071 18980 1582 1 7 . 1 1 17 17 ASN CA C 17 53.075 53.075 55.553 -2.478 18980 1583 1 7 . 1 1 17 17 ASN CB C 17 36.212 36.212 38.505 -2.293 18980 1584 1 7 . 1 1 17 17 ASN H H 17 9.156 9.156 7.306 1.850 18980 1585 1 7 . 1 1 18 18 CYS N N 18 116.876 116.876 114.494 2.382 18980 1586 1 7 . 1 1 18 18 CYS HA H 18 4.696 4.696 4.658 0.038 18980 1587 1 7 . 1 1 18 18 CYS CA C 18 56.126 56.126 58.435 -2.309 18980 1588 1 7 . 1 1 18 18 CYS CB C 18 29.066 29.066 27.927 1.139 18980 1589 1 7 . 1 1 18 18 CYS H H 18 8.489 8.489 7.452 1.037 18980 1590 1 7 . 1 1 19 19 GLY N N 19 112.394 112.394 109.962 2.432 18980 1591 1 7 . 1 1 19 19 GLY CA C 19 43.589 43.589 45.476 -1.887 18980 1592 1 7 . 1 1 19 19 GLY H H 19 7.703 7.703 8.098 -0.395 18980 1593 1 7 . 1 1 20 20 LYS N N 20 120.951 120.951 122.054 -1.103 18980 1594 1 7 . 1 1 20 20 LYS HA H 20 4.364 4.364 4.492 -0.128 18980 1595 1 7 . 1 1 20 20 LYS CA C 20 53.066 53.066 55.464 -2.398 18980 1596 1 7 . 1 1 20 20 LYS CB C 20 30.653 30.653 33.285 -2.632 18980 1597 1 7 . 1 1 20 20 LYS H H 20 8.162 8.162 7.493 0.669 18980 1598 1 7 . 1 1 21 21 GLU N N 21 119.095 119.095 120.145 -1.050 18980 1599 1 7 . 1 1 21 21 GLU HA H 21 4.602 4.602 4.460 0.142 18980 1600 1 7 . 1 1 21 21 GLU CA C 21 53.327 53.327 58.222 -4.895 18980 1601 1 7 . 1 1 21 21 GLU CB C 21 28.049 28.049 30.338 -2.289 18980 1602 1 7 . 1 1 21 21 GLU H H 21 8.454 8.454 8.702 -0.248 18980 1603 1 7 . 1 1 22 22 GLY N N 22 107.727 107.727 108.659 -0.932 18980 1604 1 7 . 1 1 22 22 GLY CA C 22 42.965 42.965 46.144 -3.179 18980 1605 1 7 . 1 1 22 22 GLY H H 22 8.639 8.639 8.473 0.166 18980 1606 1 7 . 1 1 23 23 HIS N N 23 113.019 113.019 115.932 -2.913 18980 1607 1 7 . 1 1 23 23 HIS HA H 23 4.613 4.613 4.778 -0.165 18980 1608 1 7 . 1 1 23 23 HIS CA C 23 52.409 52.409 54.528 -2.119 18980 1609 1 7 . 1 1 23 23 HIS CB C 23 27.389 27.389 31.542 -4.153 18980 1610 1 7 . 1 1 23 23 HIS H H 23 6.992 6.992 7.352 -0.360 18980 1611 1 7 . 1 1 24 24 ILE N N 24 105.931 105.931 112.605 -6.674 18980 1612 1 7 . 1 1 24 24 ILE HA H 24 4.313 4.313 4.312 0.001 18980 1613 1 7 . 1 1 24 24 ILE CA C 24 56.515 56.515 58.234 -1.719 18980 1614 1 7 . 1 1 24 24 ILE CB C 24 38.320 38.320 41.459 -3.139 18980 1615 1 7 . 1 1 24 24 ILE H H 24 7.578 7.578 7.983 -0.405 18980 1616 1 7 . 1 1 25 25 ALA N N 25 122.665 122.665 125.206 -2.541 18980 1617 1 7 . 1 1 25 25 ALA HA H 25 4.521 4.521 3.805 0.716 18980 1618 1 7 . 1 1 25 25 ALA CA C 25 53.097 53.097 54.837 -1.740 18980 1619 1 7 . 1 1 25 25 ALA CB C 25 16.460 16.460 17.949 -1.489 18980 1620 1 7 . 1 1 25 25 ALA H H 25 8.944 8.944 8.362 0.582 18980 1621 1 7 . 1 1 26 26 LYS N N 26 117.327 117.327 115.246 2.081 18980 1622 1 7 . 1 1 26 26 LYS HA H 26 2.735 2.735 4.076 -1.341 18980 1623 1 7 . 1 1 26 26 LYS CA C 26 55.268 55.268 58.451 -3.183 18980 1624 1 7 . 1 1 26 26 LYS CB C 26 31.527 31.527 32.305 -0.778 18980 1625 1 7 . 1 1 26 26 LYS H H 26 6.448 6.448 8.190 -1.742 18980 1626 1 7 . 1 1 27 27 ASN N N 27 111.844 111.844 116.240 -4.396 18980 1627 1 7 . 1 1 27 27 ASN HA H 27 4.844 4.844 4.720 0.124 18980 1628 1 7 . 1 1 27 27 ASN CA C 27 48.766 48.766 53.192 -4.426 18980 1629 1 7 . 1 1 27 27 ASN CB C 27 37.372 37.372 39.871 -2.499 18980 1630 1 7 . 1 1 27 27 ASN H H 27 7.536 7.536 7.701 -0.165 18980 1631 1 7 . 1 1 28 28 CYS N N 28 122.908 122.908 119.388 3.520 18980 1632 1 7 . 1 1 28 28 CYS HA H 28 3.590 3.590 4.122 -0.532 18980 1633 1 7 . 1 1 28 28 CYS CA C 28 58.923 58.923 60.000 -1.077 18980 1634 1 7 . 1 1 28 28 CYS CB C 28 28.111 28.111 27.694 0.417 18980 1635 1 7 . 1 1 28 28 CYS H H 28 7.195 7.195 7.757 -0.562 18980 1636 1 7 . 1 1 29 29 ARG N N 29 129.416 129.416 125.354 4.062 18980 1637 1 7 . 1 1 29 29 ARG HA H 29 4.446 4.446 4.450 -0.004 18980 1638 1 7 . 1 1 29 29 ARG CA C 29 52.480 52.480 55.535 -3.055 18980 1639 1 7 . 1 1 29 29 ARG CB C 29 27.564 27.564 30.661 -3.097 18980 1640 1 7 . 1 1 29 29 ARG H H 29 8.885 8.885 8.509 0.376 18980 1641 1 7 . 1 1 30 30 ALA N N 30 127.959 127.959 125.084 2.875 18980 1642 1 7 . 1 1 30 30 ALA HA H 30 4.475 4.475 4.540 -0.065 18980 1643 1 7 . 1 1 30 30 ALA CA C 30 48.220 48.220 50.678 -2.458 18980 1644 1 7 . 1 1 30 30 ALA CB C 30 15.112 15.112 18.660 -3.548 18980 1645 1 7 . 1 1 30 30 ALA H H 30 8.744 8.744 7.455 1.289 18980 1646 1 7 . 1 1 31 31 PRO HA H 31 4.238 4.238 4.487 -0.249 18980 1647 1 7 . 1 1 31 31 PRO CA C 31 60.017 60.017 62.952 -2.934 18980 1648 1 7 . 1 1 31 31 PRO CB C 31 28.726 28.726 32.818 -4.092 18980 1649 1 7 . 1 1 32 32 ARG N N 32 123.635 123.635 121.760 1.875 18980 1650 1 7 . 1 1 32 32 ARG HA H 32 4.391 4.391 4.837 -0.446 18980 1651 1 7 . 1 1 32 32 ARG CA C 32 53.336 53.336 55.318 -1.982 18980 1652 1 7 . 1 1 32 32 ARG CB C 32 27.689 27.689 32.133 -4.444 18980 1653 1 7 . 1 1 32 32 ARG H H 32 8.740 8.740 8.369 0.371 18980 1654 1 7 . 1 1 33 33 LYS N N 33 127.972 127.972 124.368 3.604 18980 1655 1 7 . 1 1 33 33 LYS HA H 33 4.339 4.339 4.288 0.051 18980 1656 1 7 . 1 1 33 33 LYS CA C 33 53.372 53.372 57.024 -3.652 18980 1657 1 7 . 1 1 33 33 LYS CB C 33 30.439 30.439 33.173 -2.735 18980 1658 1 7 . 1 1 33 33 LYS H H 33 8.868 8.868 8.780 0.088 18980 1659 1 7 . 1 1 34 34 LYS N N 34 120.697 120.697 120.158 0.539 18980 1660 1 7 . 1 1 34 34 LYS HA H 34 4.393 4.393 4.310 0.083 18980 1661 1 7 . 1 1 34 34 LYS CA C 34 54.385 54.385 56.601 -2.216 18980 1662 1 7 . 1 1 34 34 LYS CB C 34 30.651 30.651 32.334 -1.683 18980 1663 1 7 . 1 1 34 34 LYS H H 34 8.300 8.300 8.509 -0.209 18980 1664 1 7 . 1 1 35 35 GLY N N 35 109.787 109.787 105.864 3.923 18980 1665 1 7 . 1 1 35 35 GLY CA C 35 40.646 40.646 44.389 -3.743 18980 1666 1 7 . 1 1 35 35 GLY H H 35 8.518 8.518 7.334 1.184 18980 1667 1 7 . 1 1 36 36 CYS N N 36 122.657 122.657 120.036 2.621 18980 1668 1 7 . 1 1 36 36 CYS HA H 36 3.994 3.994 4.066 -0.072 18980 1669 1 7 . 1 1 36 36 CYS CA C 36 57.328 57.328 58.639 -1.311 18980 1670 1 7 . 1 1 36 36 CYS CB C 36 27.259 27.259 28.243 -0.984 18980 1671 1 7 . 1 1 36 36 CYS H H 36 8.249 8.249 8.037 0.212 18980 1672 1 7 . 1 1 37 37 TRP N N 37 132.646 132.646 125.533 7.113 18980 1673 1 7 . 1 1 37 37 TRP HA H 37 4.763 4.763 4.642 0.121 18980 1674 1 7 . 1 1 37 37 TRP CA C 37 54.955 54.955 57.066 -2.111 18980 1675 1 7 . 1 1 37 37 TRP CB C 37 26.102 26.102 29.156 -3.054 18980 1676 1 7 . 1 1 37 37 TRP H H 37 9.218 9.218 8.303 0.915 18980 1677 1 7 . 1 1 38 38 LYS N N 38 121.676 121.676 117.361 4.315 18980 1678 1 7 . 1 1 38 38 LYS HA H 38 4.200 4.200 4.191 0.009 18980 1679 1 7 . 1 1 38 38 LYS CA C 38 55.916 55.916 57.698 -1.782 18980 1680 1 7 . 1 1 38 38 LYS CB C 38 31.288 31.288 33.716 -2.428 18980 1681 1 7 . 1 1 38 38 LYS H H 38 9.626 9.626 7.809 1.817 18980 1682 1 7 . 1 1 39 39 CYS N N 39 117.746 117.746 114.339 3.407 18980 1683 1 7 . 1 1 39 39 CYS HA H 39 4.929 4.929 4.798 0.131 18980 1684 1 7 . 1 1 39 39 CYS CA C 39 56.058 56.058 57.961 -1.903 18980 1685 1 7 . 1 1 39 39 CYS CB C 39 29.705 29.705 29.531 0.174 18980 1686 1 7 . 1 1 39 39 CYS H H 39 8.612 8.612 7.829 0.783 18980 1687 1 7 . 1 1 40 40 GLY N N 40 113.510 113.510 110.104 3.406 18980 1688 1 7 . 1 1 40 40 GLY CA C 40 43.398 43.398 45.070 -1.672 18980 1689 1 7 . 1 1 40 40 GLY H H 40 8.050 8.050 8.405 -0.355 18980 1690 1 7 . 1 1 41 41 LYS N N 41 121.911 121.911 121.702 0.209 18980 1691 1 7 . 1 1 41 41 LYS HA H 41 4.296 4.296 4.421 -0.125 18980 1692 1 7 . 1 1 41 41 LYS CA C 41 54.068 54.068 56.030 -1.962 18980 1693 1 7 . 1 1 41 41 LYS CB C 41 30.765 30.765 33.368 -2.603 18980 1694 1 7 . 1 1 41 41 LYS H H 41 8.340 8.340 7.603 0.737 18980 1695 1 7 . 1 1 42 42 GLU N N 42 119.418 119.418 120.590 -1.172 18980 1696 1 7 . 1 1 42 42 GLU HA H 42 4.116 4.116 4.208 -0.092 18980 1697 1 7 . 1 1 42 42 GLU CA C 42 54.054 54.054 56.672 -2.618 18980 1698 1 7 . 1 1 42 42 GLU CB C 42 27.786 27.786 30.280 -2.494 18980 1699 1 7 . 1 1 42 42 GLU H H 42 8.501 8.501 8.505 -0.004 18980 1700 1 7 . 1 1 43 43 GLY N N 43 107.782 107.782 108.895 -1.113 18980 1701 1 7 . 1 1 43 43 GLY CA C 43 42.789 42.789 45.667 -2.878 18980 1702 1 7 . 1 1 43 43 GLY H H 43 8.719 8.719 8.788 -0.069 18980 1703 1 7 . 1 1 44 44 HIS N N 44 111.284 111.284 116.537 -5.253 18980 1704 1 7 . 1 1 44 44 HIS HA H 44 4.587 4.587 4.755 -0.168 18980 1705 1 7 . 1 1 44 44 HIS CA C 44 52.665 52.665 54.168 -1.503 18980 1706 1 7 . 1 1 44 44 HIS CB C 44 27.416 27.416 30.366 -2.950 18980 1707 1 7 . 1 1 44 44 HIS H H 44 6.810 6.810 7.652 -0.842 18980 1708 1 7 . 1 1 45 45 GLN N N 45 117.297 117.297 119.199 -1.902 18980 1709 1 7 . 1 1 45 45 GLN HA H 45 3.773 3.773 4.416 -0.643 18980 1710 1 7 . 1 1 45 45 GLN CA C 45 51.454 51.454 54.113 -2.659 18980 1711 1 7 . 1 1 45 45 GLN CB C 45 28.905 28.905 30.780 -1.875 18980 1712 1 7 . 1 1 45 45 GLN H H 45 8.781 8.781 8.620 0.161 18980 1713 1 7 . 1 1 46 46 MET N N 46 117.926 117.926 122.987 -5.061 18980 1714 1 7 . 1 1 46 46 MET HA H 46 4.820 4.820 4.306 0.513 18980 1715 1 7 . 1 1 46 46 MET CA C 46 57.542 57.542 58.178 -0.636 18980 1716 1 7 . 1 1 46 46 MET CB C 46 29.549 29.549 32.180 -2.631 18980 1717 1 7 . 1 1 46 46 MET H H 46 9.008 9.008 8.642 0.366 18980 1718 1 7 . 1 1 47 47 LYS N N 47 117.631 117.631 118.548 -0.917 18980 1719 1 7 . 1 1 47 47 LYS HA H 47 3.448 3.448 4.155 -0.707 18980 1720 1 7 . 1 1 47 47 LYS CA C 47 54.988 54.988 58.136 -3.148 18980 1721 1 7 . 1 1 47 47 LYS CB C 47 28.285 28.285 31.656 -3.371 18980 1722 1 7 . 1 1 47 47 LYS H H 47 6.430 6.430 8.160 -1.730 18980 1723 1 7 . 1 1 48 48 ASP N N 48 117.363 117.363 118.692 -1.329 18980 1724 1 7 . 1 1 48 48 ASP HA H 48 4.780 4.780 4.664 0.116 18980 1725 1 7 . 1 1 48 48 ASP CA C 48 50.600 50.600 54.215 -3.615 18980 1726 1 7 . 1 1 48 48 ASP CB C 48 40.029 40.029 41.617 -1.588 18980 1727 1 7 . 1 1 48 48 ASP H H 48 7.560 7.560 7.991 -0.431 18980 1728 1 7 . 1 1 49 49 CYS N N 49 122.910 122.910 116.998 5.912 18980 1729 1 7 . 1 1 49 49 CYS HA H 49 3.682 3.682 4.701 -1.019 18980 1730 1 7 . 1 1 49 49 CYS CA C 49 59.557 59.557 57.941 1.616 18980 1731 1 7 . 1 1 49 49 CYS CB C 49 28.040 28.040 29.582 -1.542 18980 1732 1 7 . 1 1 49 49 CYS H H 49 7.091 7.091 7.570 -0.479 18980 1733 1 7 . 1 1 50 50 THR N N 50 119.675 119.675 115.839 3.836 18980 1734 1 7 . 1 1 50 50 THR HA H 50 4.293 4.293 4.438 -0.145 18980 1735 1 7 . 1 1 50 50 THR CA C 50 58.855 58.855 62.262 -3.407 18980 1736 1 7 . 1 1 50 50 THR CB C 50 66.355 66.355 70.501 -4.146 18980 1737 1 7 . 1 1 50 50 THR H H 50 8.139 8.139 8.366 -0.227 18980 1738 1 7 . 1 1 51 51 GLU N N 51 124.935 124.935 120.761 4.174 18980 1739 1 7 . 1 1 51 51 GLU HA H 51 4.164 4.164 4.467 -0.303 18980 1740 1 7 . 1 1 51 51 GLU CA C 51 54.061 54.061 54.782 -0.721 18980 1741 1 7 . 1 1 51 51 GLU CB C 51 27.130 27.130 31.989 -4.859 18980 1742 1 7 . 1 1 51 51 GLU H H 51 8.551 8.551 7.832 0.719 18980 1743 1 7 . 1 1 52 52 ARG N N 52 122.624 122.624 120.557 2.067 18980 1744 1 7 . 1 1 52 52 ARG HA H 52 4.248 4.248 4.057 0.191 18980 1745 1 7 . 1 1 52 52 ARG CA C 52 53.402 53.402 58.684 -5.282 18980 1746 1 7 . 1 1 52 52 ARG CB C 52 28.028 28.028 29.999 -1.971 18980 1747 1 7 . 1 1 52 52 ARG H H 52 8.287 8.287 8.759 -0.472 18980 1748 1 7 . 1 1 53 53 GLN N N 53 121.647 121.647 118.016 3.631 18980 1749 1 7 . 1 1 53 53 GLN HA H 53 4.248 4.248 4.269 -0.021 18980 1750 1 7 . 1 1 53 53 GLN CA C 53 52.946 52.946 57.153 -4.207 18980 1751 1 7 . 1 1 53 53 GLN CB C 53 26.794 26.794 28.252 -1.458 18980 1752 1 7 . 1 1 53 53 GLN H H 53 8.381 8.381 8.007 0.374 18980 1753 1 7 . 1 1 54 54 ALA N N 54 125.878 125.878 121.811 4.067 18980 1754 1 7 . 1 1 54 54 ALA HA H 54 4.296 4.296 4.167 0.129 18980 1755 1 7 . 1 1 54 54 ALA CA C 54 49.575 49.575 52.712 -3.137 18980 1756 1 7 . 1 1 54 54 ALA CB C 54 16.704 16.704 19.227 -2.523 18980 1757 1 7 . 1 1 54 54 ALA H H 54 8.338 8.338 8.107 0.231 18980 1758 1 8 . 1 1 2 2 GLN N N 2 125.073 125.073 127.390 -2.317 18980 1759 1 8 . 1 1 2 2 GLN HA H 2 4.309 4.309 4.265 0.044 18980 1760 1 8 . 1 1 2 2 GLN CA C 2 52.755 52.755 57.610 -4.855 18980 1761 1 8 . 1 1 2 2 GLN CB C 2 26.728 26.728 28.939 -2.211 18980 1762 1 8 . 1 1 2 2 GLN H H 2 8.503 8.503 8.556 -0.053 18980 1763 1 8 . 1 1 3 3 LYS N N 3 123.202 123.202 118.348 4.854 18980 1764 1 8 . 1 1 3 3 LYS HA H 3 4.271 4.271 4.114 0.157 18980 1765 1 8 . 1 1 3 3 LYS CA C 3 53.658 53.658 56.086 -2.428 18980 1766 1 8 . 1 1 3 3 LYS CB C 3 30.442 30.442 32.662 -2.220 18980 1767 1 8 . 1 1 3 3 LYS H H 3 8.414 8.414 8.112 0.302 18980 1768 1 8 . 1 1 4 4 GLY N N 4 109.574 109.574 108.004 1.570 18980 1769 1 8 . 1 1 4 4 GLY CA C 4 42.455 42.455 44.065 -1.610 18980 1770 1 8 . 1 1 4 4 GLY H H 4 8.394 8.394 7.400 0.994 18980 1771 1 8 . 1 1 5 5 ASN N N 5 118.311 118.311 118.221 0.090 18980 1772 1 8 . 1 1 5 5 ASN HA H 5 4.625 4.625 4.392 0.233 18980 1773 1 8 . 1 1 5 5 ASN CA C 5 50.146 50.146 53.388 -3.242 18980 1774 1 8 . 1 1 5 5 ASN CB C 5 36.059 36.059 38.931 -2.872 18980 1775 1 8 . 1 1 5 5 ASN H H 5 8.240 8.240 8.242 -0.002 18980 1776 1 8 . 1 1 6 6 PHE N N 6 120.460 120.460 118.994 1.466 18980 1777 1 8 . 1 1 6 6 PHE HA H 6 4.541 4.541 4.509 0.032 18980 1778 1 8 . 1 1 6 6 PHE CA C 6 55.112 55.112 57.411 -2.299 18980 1779 1 8 . 1 1 6 6 PHE CB C 6 36.457 36.457 39.700 -3.243 18980 1780 1 8 . 1 1 6 6 PHE H H 6 8.164 8.164 8.257 -0.093 18980 1781 1 8 . 1 1 7 7 ARG N N 7 121.606 121.606 120.895 0.711 18980 1782 1 8 . 1 1 7 7 ARG HA H 7 4.193 4.193 4.238 -0.045 18980 1783 1 8 . 1 1 7 7 ARG CA C 7 53.586 53.586 56.401 -2.814 18980 1784 1 8 . 1 1 7 7 ARG CB C 7 27.788 27.788 28.227 -0.439 18980 1785 1 8 . 1 1 7 7 ARG H H 7 8.184 8.184 8.945 -0.761 18980 1786 1 8 . 1 1 8 8 ASN N N 8 118.773 118.773 118.023 0.750 18980 1787 1 8 . 1 1 8 8 ASN HA H 8 4.570 4.570 4.551 0.019 18980 1788 1 8 . 1 1 8 8 ASN CA C 8 50.518 50.518 54.453 -3.935 18980 1789 1 8 . 1 1 8 8 ASN CB C 8 35.894 35.894 38.122 -2.228 18980 1790 1 8 . 1 1 8 8 ASN H H 8 8.294 8.294 8.328 -0.034 18980 1791 1 8 . 1 1 9 9 GLN N N 9 120.522 120.522 117.564 2.958 18980 1792 1 8 . 1 1 9 9 GLN HA H 9 4.245 4.245 4.381 -0.136 18980 1793 1 8 . 1 1 9 9 GLN CA C 9 53.202 53.202 55.929 -2.727 18980 1794 1 8 . 1 1 9 9 GLN CB C 9 26.688 26.688 30.018 -3.330 18980 1795 1 8 . 1 1 9 9 GLN H H 9 8.218 8.218 8.106 0.112 18980 1796 1 8 . 1 1 10 10 ARG N N 10 121.826 121.826 122.387 -0.561 18980 1797 1 8 . 1 1 10 10 ARG HA H 10 4.244 4.244 4.417 -0.173 18980 1798 1 8 . 1 1 10 10 ARG CA C 10 53.208 53.208 55.601 -2.393 18980 1799 1 8 . 1 1 10 10 ARG CB C 10 27.939 27.939 29.465 -1.526 18980 1800 1 8 . 1 1 10 10 ARG H H 10 8.273 8.273 7.942 0.331 18980 1801 1 8 . 1 1 11 11 LYS N N 11 122.737 122.737 122.443 0.294 18980 1802 1 8 . 1 1 11 11 LYS HA H 11 4.263 4.263 3.924 0.339 18980 1803 1 8 . 1 1 11 11 LYS CA C 11 53.578 53.578 58.743 -5.165 18980 1804 1 8 . 1 1 11 11 LYS CB C 11 30.323 30.323 31.258 -0.935 18980 1805 1 8 . 1 1 11 11 LYS H H 11 8.299 8.299 8.451 -0.152 18980 1806 1 8 . 1 1 12 12 THR N N 12 116.442 116.442 115.082 1.360 18980 1807 1 8 . 1 1 12 12 THR HA H 12 4.254 4.254 4.455 -0.201 18980 1808 1 8 . 1 1 12 12 THR CA C 12 58.726 58.726 62.518 -3.792 18980 1809 1 8 . 1 1 12 12 THR CB C 12 66.915 66.915 70.576 -3.661 18980 1810 1 8 . 1 1 12 12 THR H H 12 8.088 8.088 8.021 0.067 18980 1811 1 8 . 1 1 13 13 VAL N N 13 122.626 122.626 117.473 5.153 18980 1812 1 8 . 1 1 13 13 VAL HA H 13 4.021 4.021 4.419 -0.398 18980 1813 1 8 . 1 1 13 13 VAL CA C 13 58.497 58.497 61.321 -2.824 18980 1814 1 8 . 1 1 13 13 VAL CB C 13 30.485 30.485 34.723 -4.238 18980 1815 1 8 . 1 1 13 13 VAL H H 13 8.209 8.209 8.054 0.155 18980 1816 1 8 . 1 1 14 14 LYS N N 14 123.504 123.504 127.392 -3.888 18980 1817 1 8 . 1 1 14 14 LYS HA H 14 4.412 4.412 4.558 -0.146 18980 1818 1 8 . 1 1 14 14 LYS CA C 14 51.599 51.599 54.146 -2.547 18980 1819 1 8 . 1 1 14 14 LYS CB C 14 31.540 31.540 34.566 -3.026 18980 1820 1 8 . 1 1 14 14 LYS H H 14 8.012 8.012 8.105 -0.093 18980 1821 1 8 . 1 1 15 15 CYS N N 15 129.731 129.731 125.897 3.834 18980 1822 1 8 . 1 1 15 15 CYS HA H 15 4.215 4.215 4.191 0.024 18980 1823 1 8 . 1 1 15 15 CYS CA C 15 56.967 56.967 59.474 -2.507 18980 1824 1 8 . 1 1 15 15 CYS CB C 15 27.829 27.829 28.385 -0.556 18980 1825 1 8 . 1 1 15 15 CYS H H 15 8.256 8.256 8.270 -0.014 18980 1826 1 8 . 1 1 16 16 PHE N N 16 128.836 128.836 123.804 5.032 18980 1827 1 8 . 1 1 16 16 PHE HA H 16 4.615 4.615 4.342 0.273 18980 1828 1 8 . 1 1 16 16 PHE CA C 16 56.137 56.137 58.600 -2.463 18980 1829 1 8 . 1 1 16 16 PHE CB C 16 37.103 37.103 38.822 -1.718 18980 1830 1 8 . 1 1 16 16 PHE H H 16 9.299 9.299 8.446 0.853 18980 1831 1 8 . 1 1 17 17 ASN N N 17 118.280 118.280 117.532 0.748 18980 1832 1 8 . 1 1 17 17 ASN HA H 17 3.816 3.816 4.321 -0.505 18980 1833 1 8 . 1 1 17 17 ASN CA C 17 53.075 53.075 55.049 -1.974 18980 1834 1 8 . 1 1 17 17 ASN CB C 17 36.212 36.212 39.035 -2.823 18980 1835 1 8 . 1 1 17 17 ASN H H 17 9.156 9.156 7.544 1.612 18980 1836 1 8 . 1 1 18 18 CYS N N 18 116.876 116.876 112.636 4.240 18980 1837 1 8 . 1 1 18 18 CYS HA H 18 4.696 4.696 4.963 -0.267 18980 1838 1 8 . 1 1 18 18 CYS CA C 18 56.126 56.126 57.339 -1.212 18980 1839 1 8 . 1 1 18 18 CYS CB C 18 29.066 29.066 27.955 1.111 18980 1840 1 8 . 1 1 18 18 CYS H H 18 8.489 8.489 7.591 0.898 18980 1841 1 8 . 1 1 19 19 GLY N N 19 112.394 112.394 110.922 1.472 18980 1842 1 8 . 1 1 19 19 GLY CA C 19 43.589 43.589 45.678 -2.089 18980 1843 1 8 . 1 1 19 19 GLY H H 19 7.703 7.703 8.101 -0.398 18980 1844 1 8 . 1 1 20 20 LYS N N 20 120.951 120.951 120.374 0.577 18980 1845 1 8 . 1 1 20 20 LYS HA H 20 4.364 4.364 4.482 -0.118 18980 1846 1 8 . 1 1 20 20 LYS CA C 20 53.066 53.066 54.469 -1.403 18980 1847 1 8 . 1 1 20 20 LYS CB C 20 30.653 30.653 34.189 -3.536 18980 1848 1 8 . 1 1 20 20 LYS H H 20 8.162 8.162 7.440 0.722 18980 1849 1 8 . 1 1 21 21 GLU N N 21 119.095 119.095 120.765 -1.670 18980 1850 1 8 . 1 1 21 21 GLU HA H 21 4.602 4.602 4.313 0.289 18980 1851 1 8 . 1 1 21 21 GLU CA C 21 53.327 53.327 58.211 -4.884 18980 1852 1 8 . 1 1 21 21 GLU CB C 21 28.049 28.049 30.005 -1.956 18980 1853 1 8 . 1 1 21 21 GLU H H 21 8.454 8.454 8.763 -0.309 18980 1854 1 8 . 1 1 22 22 GLY N N 22 107.727 107.727 109.211 -1.484 18980 1855 1 8 . 1 1 22 22 GLY CA C 22 42.965 42.965 45.862 -2.897 18980 1856 1 8 . 1 1 22 22 GLY H H 22 8.639 8.639 8.430 0.209 18980 1857 1 8 . 1 1 23 23 HIS N N 23 113.019 113.019 116.048 -3.029 18980 1858 1 8 . 1 1 23 23 HIS HA H 23 4.613 4.613 4.772 -0.159 18980 1859 1 8 . 1 1 23 23 HIS CA C 23 52.409 52.409 54.612 -2.203 18980 1860 1 8 . 1 1 23 23 HIS CB C 23 27.389 27.389 31.607 -4.218 18980 1861 1 8 . 1 1 23 23 HIS H H 23 6.992 6.992 7.314 -0.322 18980 1862 1 8 . 1 1 24 24 ILE N N 24 105.931 105.931 112.629 -6.698 18980 1863 1 8 . 1 1 24 24 ILE HA H 24 4.313 4.313 4.392 -0.079 18980 1864 1 8 . 1 1 24 24 ILE CA C 24 56.515 56.515 58.282 -1.767 18980 1865 1 8 . 1 1 24 24 ILE CB C 24 38.320 38.320 41.477 -3.158 18980 1866 1 8 . 1 1 24 24 ILE H H 24 7.578 7.578 8.016 -0.438 18980 1867 1 8 . 1 1 25 25 ALA N N 25 122.665 122.665 125.244 -2.579 18980 1868 1 8 . 1 1 25 25 ALA HA H 25 4.521 4.521 3.836 0.685 18980 1869 1 8 . 1 1 25 25 ALA CA C 25 53.097 53.097 54.834 -1.737 18980 1870 1 8 . 1 1 25 25 ALA CB C 25 16.460 16.460 18.033 -1.573 18980 1871 1 8 . 1 1 25 25 ALA H H 25 8.944 8.944 8.452 0.492 18980 1872 1 8 . 1 1 26 26 LYS N N 26 117.327 117.327 115.918 1.409 18980 1873 1 8 . 1 1 26 26 LYS HA H 26 2.735 2.735 4.086 -1.351 18980 1874 1 8 . 1 1 26 26 LYS CA C 26 55.268 55.268 58.542 -3.274 18980 1875 1 8 . 1 1 26 26 LYS CB C 26 31.527 31.527 32.326 -0.799 18980 1876 1 8 . 1 1 26 26 LYS H H 26 6.448 6.448 8.236 -1.788 18980 1877 1 8 . 1 1 27 27 ASN N N 27 111.844 111.844 116.561 -4.717 18980 1878 1 8 . 1 1 27 27 ASN HA H 27 4.844 4.844 4.679 0.165 18980 1879 1 8 . 1 1 27 27 ASN CA C 27 48.766 48.766 53.472 -4.706 18980 1880 1 8 . 1 1 27 27 ASN CB C 27 37.372 37.372 39.803 -2.431 18980 1881 1 8 . 1 1 27 27 ASN H H 27 7.536 7.536 7.710 -0.174 18980 1882 1 8 . 1 1 28 28 CYS N N 28 122.908 122.908 119.399 3.509 18980 1883 1 8 . 1 1 28 28 CYS HA H 28 3.590 3.590 4.035 -0.445 18980 1884 1 8 . 1 1 28 28 CYS CA C 28 58.923 58.923 60.446 -1.523 18980 1885 1 8 . 1 1 28 28 CYS CB C 28 28.111 28.111 27.593 0.518 18980 1886 1 8 . 1 1 28 28 CYS H H 28 7.195 7.195 7.913 -0.718 18980 1887 1 8 . 1 1 29 29 ARG N N 29 129.416 129.416 124.875 4.541 18980 1888 1 8 . 1 1 29 29 ARG HA H 29 4.446 4.446 4.410 0.036 18980 1889 1 8 . 1 1 29 29 ARG CA C 29 52.480 52.480 55.285 -2.804 18980 1890 1 8 . 1 1 29 29 ARG CB C 29 27.564 27.564 30.254 -2.690 18980 1891 1 8 . 1 1 29 29 ARG H H 29 8.885 8.885 8.514 0.371 18980 1892 1 8 . 1 1 30 30 ALA N N 30 127.959 127.959 125.068 2.891 18980 1893 1 8 . 1 1 30 30 ALA HA H 30 4.475 4.475 4.476 -0.001 18980 1894 1 8 . 1 1 30 30 ALA CA C 30 48.220 48.220 50.795 -2.575 18980 1895 1 8 . 1 1 30 30 ALA CB C 30 15.112 15.112 18.566 -3.454 18980 1896 1 8 . 1 1 30 30 ALA H H 30 8.744 8.744 7.436 1.308 18980 1897 1 8 . 1 1 31 31 PRO HA H 31 4.238 4.238 4.483 -0.245 18980 1898 1 8 . 1 1 31 31 PRO CA C 31 60.017 60.017 62.952 -2.935 18980 1899 1 8 . 1 1 31 31 PRO CB C 31 28.726 28.726 32.805 -4.079 18980 1900 1 8 . 1 1 32 32 ARG N N 32 123.635 123.635 123.030 0.605 18980 1901 1 8 . 1 1 32 32 ARG HA H 32 4.391 4.391 4.675 -0.284 18980 1902 1 8 . 1 1 32 32 ARG CA C 32 53.336 53.336 55.405 -2.069 18980 1903 1 8 . 1 1 32 32 ARG CB C 32 27.689 27.689 31.476 -3.787 18980 1904 1 8 . 1 1 32 32 ARG H H 32 8.740 8.740 8.422 0.318 18980 1905 1 8 . 1 1 33 33 LYS N N 33 127.972 127.972 123.392 4.580 18980 1906 1 8 . 1 1 33 33 LYS HA H 33 4.339 4.339 4.373 -0.034 18980 1907 1 8 . 1 1 33 33 LYS CA C 33 53.372 53.372 56.480 -3.108 18980 1908 1 8 . 1 1 33 33 LYS CB C 33 30.439 30.439 33.105 -2.667 18980 1909 1 8 . 1 1 33 33 LYS H H 33 8.868 8.868 8.743 0.125 18980 1910 1 8 . 1 1 34 34 LYS N N 34 120.697 120.697 120.634 0.063 18980 1911 1 8 . 1 1 34 34 LYS HA H 34 4.393 4.393 4.345 0.048 18980 1912 1 8 . 1 1 34 34 LYS CA C 34 54.385 54.385 56.005 -1.620 18980 1913 1 8 . 1 1 34 34 LYS CB C 34 30.651 30.651 32.514 -1.863 18980 1914 1 8 . 1 1 34 34 LYS H H 34 8.300 8.300 8.596 -0.296 18980 1915 1 8 . 1 1 35 35 GLY N N 35 109.787 109.787 105.299 4.488 18980 1916 1 8 . 1 1 35 35 GLY CA C 35 40.646 40.646 44.491 -3.845 18980 1917 1 8 . 1 1 35 35 GLY H H 35 8.518 8.518 7.351 1.167 18980 1918 1 8 . 1 1 36 36 CYS N N 36 122.657 122.657 119.774 2.883 18980 1919 1 8 . 1 1 36 36 CYS HA H 36 3.994 3.994 4.068 -0.074 18980 1920 1 8 . 1 1 36 36 CYS CA C 36 57.328 57.328 58.335 -1.007 18980 1921 1 8 . 1 1 36 36 CYS CB C 36 27.259 27.259 28.018 -0.759 18980 1922 1 8 . 1 1 36 36 CYS H H 36 8.249 8.249 8.028 0.221 18980 1923 1 8 . 1 1 37 37 TRP N N 37 132.646 132.646 125.587 7.059 18980 1924 1 8 . 1 1 37 37 TRP HA H 37 4.763 4.763 4.625 0.138 18980 1925 1 8 . 1 1 37 37 TRP CA C 37 54.955 54.955 57.077 -2.122 18980 1926 1 8 . 1 1 37 37 TRP CB C 37 26.102 26.102 29.132 -3.030 18980 1927 1 8 . 1 1 37 37 TRP H H 37 9.218 9.218 8.260 0.958 18980 1928 1 8 . 1 1 38 38 LYS N N 38 121.676 121.676 117.486 4.190 18980 1929 1 8 . 1 1 38 38 LYS HA H 38 4.200 4.200 4.058 0.142 18980 1930 1 8 . 1 1 38 38 LYS CA C 38 55.916 55.916 57.857 -1.941 18980 1931 1 8 . 1 1 38 38 LYS CB C 38 31.288 31.288 33.512 -2.224 18980 1932 1 8 . 1 1 38 38 LYS H H 38 9.626 9.626 7.722 1.904 18980 1933 1 8 . 1 1 39 39 CYS N N 39 117.746 117.746 113.897 3.849 18980 1934 1 8 . 1 1 39 39 CYS HA H 39 4.929 4.929 4.841 0.088 18980 1935 1 8 . 1 1 39 39 CYS CA C 39 56.058 56.058 58.619 -2.561 18980 1936 1 8 . 1 1 39 39 CYS CB C 39 29.705 29.705 29.179 0.526 18980 1937 1 8 . 1 1 39 39 CYS H H 39 8.612 8.612 7.961 0.651 18980 1938 1 8 . 1 1 40 40 GLY N N 40 113.510 113.510 111.022 2.488 18980 1939 1 8 . 1 1 40 40 GLY CA C 40 43.398 43.398 45.031 -1.633 18980 1940 1 8 . 1 1 40 40 GLY H H 40 8.050 8.050 8.156 -0.106 18980 1941 1 8 . 1 1 41 41 LYS N N 41 121.911 121.911 121.753 0.158 18980 1942 1 8 . 1 1 41 41 LYS HA H 41 4.296 4.296 4.461 -0.165 18980 1943 1 8 . 1 1 41 41 LYS CA C 41 54.068 54.068 55.793 -1.725 18980 1944 1 8 . 1 1 41 41 LYS CB C 41 30.765 30.765 33.582 -2.817 18980 1945 1 8 . 1 1 41 41 LYS H H 41 8.340 8.340 7.552 0.788 18980 1946 1 8 . 1 1 42 42 GLU N N 42 119.418 119.418 119.223 0.195 18980 1947 1 8 . 1 1 42 42 GLU HA H 42 4.116 4.116 4.242 -0.126 18980 1948 1 8 . 1 1 42 42 GLU CA C 42 54.054 54.054 56.533 -2.479 18980 1949 1 8 . 1 1 42 42 GLU CB C 42 27.786 27.786 30.283 -2.497 18980 1950 1 8 . 1 1 42 42 GLU H H 42 8.501 8.501 8.526 -0.025 18980 1951 1 8 . 1 1 43 43 GLY N N 43 107.782 107.782 108.982 -1.200 18980 1952 1 8 . 1 1 43 43 GLY CA C 43 42.789 42.789 46.032 -3.243 18980 1953 1 8 . 1 1 43 43 GLY H H 43 8.719 8.719 8.644 0.075 18980 1954 1 8 . 1 1 44 44 HIS N N 44 111.284 111.284 115.177 -3.893 18980 1955 1 8 . 1 1 44 44 HIS HA H 44 4.587 4.587 4.727 -0.140 18980 1956 1 8 . 1 1 44 44 HIS CA C 44 52.665 52.665 54.084 -1.419 18980 1957 1 8 . 1 1 44 44 HIS CB C 44 27.416 27.416 30.483 -3.067 18980 1958 1 8 . 1 1 44 44 HIS H H 44 6.810 6.810 7.760 -0.950 18980 1959 1 8 . 1 1 45 45 GLN N N 45 117.297 117.297 119.005 -1.708 18980 1960 1 8 . 1 1 45 45 GLN HA H 45 3.773 3.773 4.405 -0.632 18980 1961 1 8 . 1 1 45 45 GLN CA C 45 51.454 51.454 54.087 -2.633 18980 1962 1 8 . 1 1 45 45 GLN CB C 45 28.905 28.905 30.734 -1.829 18980 1963 1 8 . 1 1 45 45 GLN H H 45 8.781 8.781 8.653 0.128 18980 1964 1 8 . 1 1 46 46 MET N N 46 117.926 117.926 120.314 -2.388 18980 1965 1 8 . 1 1 46 46 MET HA H 46 4.820 4.820 4.307 0.513 18980 1966 1 8 . 1 1 46 46 MET CA C 46 57.542 57.542 58.007 -0.465 18980 1967 1 8 . 1 1 46 46 MET CB C 46 29.549 29.549 32.436 -2.887 18980 1968 1 8 . 1 1 46 46 MET H H 46 9.008 9.008 8.508 0.500 18980 1969 1 8 . 1 1 47 47 LYS N N 47 117.631 117.631 115.867 1.764 18980 1970 1 8 . 1 1 47 47 LYS HA H 47 3.448 3.448 4.153 -0.705 18980 1971 1 8 . 1 1 47 47 LYS CA C 47 54.988 54.988 57.564 -2.576 18980 1972 1 8 . 1 1 47 47 LYS CB C 47 28.285 28.285 31.852 -3.567 18980 1973 1 8 . 1 1 47 47 LYS H H 47 6.430 6.430 7.782 -1.352 18980 1974 1 8 . 1 1 48 48 ASP N N 48 117.363 117.363 119.732 -2.369 18980 1975 1 8 . 1 1 48 48 ASP HA H 48 4.780 4.780 4.630 0.150 18980 1976 1 8 . 1 1 48 48 ASP CA C 48 50.600 50.600 55.177 -4.577 18980 1977 1 8 . 1 1 48 48 ASP CB C 48 40.029 40.029 41.840 -1.811 18980 1978 1 8 . 1 1 48 48 ASP H H 48 7.560 7.560 7.897 -0.337 18980 1979 1 8 . 1 1 49 49 CYS N N 49 122.910 122.910 119.630 3.280 18980 1980 1 8 . 1 1 49 49 CYS HA H 49 3.682 3.682 4.522 -0.840 18980 1981 1 8 . 1 1 49 49 CYS CA C 49 59.557 59.557 59.276 0.281 18980 1982 1 8 . 1 1 49 49 CYS CB C 49 28.040 28.040 26.583 1.457 18980 1983 1 8 . 1 1 49 49 CYS H H 49 7.091 7.091 7.659 -0.568 18980 1984 1 8 . 1 1 50 50 THR N N 50 119.675 119.675 121.019 -1.344 18980 1985 1 8 . 1 1 50 50 THR HA H 50 4.293 4.293 4.193 0.100 18980 1986 1 8 . 1 1 50 50 THR CA C 50 58.855 58.855 64.117 -5.261 18980 1987 1 8 . 1 1 50 50 THR CB C 50 66.355 66.355 69.262 -2.907 18980 1988 1 8 . 1 1 50 50 THR H H 50 8.139 8.139 8.700 -0.561 18980 1989 1 8 . 1 1 51 51 GLU N N 51 124.935 124.935 119.852 5.083 18980 1990 1 8 . 1 1 51 51 GLU HA H 51 4.164 4.164 4.451 -0.287 18980 1991 1 8 . 1 1 51 51 GLU CA C 51 54.061 54.061 54.945 -0.884 18980 1992 1 8 . 1 1 51 51 GLU CB C 51 27.130 27.130 31.885 -4.755 18980 1993 1 8 . 1 1 51 51 GLU H H 51 8.551 8.551 7.858 0.693 18980 1994 1 8 . 1 1 52 52 ARG N N 52 122.624 122.624 122.849 -0.225 18980 1995 1 8 . 1 1 52 52 ARG HA H 52 4.248 4.248 4.221 0.027 18980 1996 1 8 . 1 1 52 52 ARG CA C 52 53.402 53.402 56.362 -2.960 18980 1997 1 8 . 1 1 52 52 ARG CB C 52 28.028 28.028 29.126 -1.098 18980 1998 1 8 . 1 1 52 52 ARG H H 52 8.287 8.287 8.589 -0.302 18980 1999 1 8 . 1 1 53 53 GLN N N 53 121.647 121.647 124.846 -3.199 18980 2000 1 8 . 1 1 53 53 GLN HA H 53 4.248 4.248 4.410 -0.162 18980 2001 1 8 . 1 1 53 53 GLN CA C 53 52.946 52.946 55.027 -2.081 18980 2002 1 8 . 1 1 53 53 GLN CB C 53 26.794 26.794 30.388 -3.594 18980 2003 1 8 . 1 1 53 53 GLN H H 53 8.381 8.381 8.425 -0.044 18980 2004 1 8 . 1 1 54 54 ALA N N 54 125.878 125.878 122.959 2.919 18980 2005 1 8 . 1 1 54 54 ALA HA H 54 4.296 4.296 4.176 0.120 18980 2006 1 8 . 1 1 54 54 ALA CA C 54 49.575 49.575 53.096 -3.521 18980 2007 1 8 . 1 1 54 54 ALA CB C 54 16.704 16.704 18.733 -2.029 18980 2008 1 8 . 1 1 54 54 ALA H H 54 8.338 8.338 8.526 -0.188 18980 2009 1 9 . 1 1 2 2 GLN N N 2 125.073 125.073 123.349 1.724 18980 2010 1 9 . 1 1 2 2 GLN HA H 2 4.309 4.309 4.956 -0.647 18980 2011 1 9 . 1 1 2 2 GLN CA C 2 52.755 52.755 54.998 -2.244 18980 2012 1 9 . 1 1 2 2 GLN CB C 2 26.728 26.728 32.100 -5.372 18980 2013 1 9 . 1 1 2 2 GLN H H 2 8.503 8.503 8.363 0.140 18980 2014 1 9 . 1 1 3 3 LYS N N 3 123.202 123.202 120.276 2.926 18980 2015 1 9 . 1 1 3 3 LYS HA H 3 4.271 4.271 4.219 0.052 18980 2016 1 9 . 1 1 3 3 LYS CA C 3 53.658 53.658 57.437 -3.779 18980 2017 1 9 . 1 1 3 3 LYS CB C 3 30.442 30.442 32.843 -2.401 18980 2018 1 9 . 1 1 3 3 LYS H H 3 8.414 8.414 8.601 -0.187 18980 2019 1 9 . 1 1 4 4 GLY N N 4 109.574 109.574 105.235 4.339 18980 2020 1 9 . 1 1 4 4 GLY CA C 4 42.455 42.455 43.554 -1.099 18980 2021 1 9 . 1 1 4 4 GLY H H 4 8.394 8.394 7.550 0.845 18980 2022 1 9 . 1 1 5 5 ASN N N 5 118.311 118.311 118.148 0.163 18980 2023 1 9 . 1 1 5 5 ASN HA H 5 4.625 4.625 4.446 0.179 18980 2024 1 9 . 1 1 5 5 ASN CA C 5 50.146 50.146 54.199 -4.053 18980 2025 1 9 . 1 1 5 5 ASN CB C 5 36.059 36.059 38.276 -2.217 18980 2026 1 9 . 1 1 5 5 ASN H H 5 8.240 8.240 8.370 -0.130 18980 2027 1 9 . 1 1 6 6 PHE N N 6 120.460 120.460 117.430 3.030 18980 2028 1 9 . 1 1 6 6 PHE HA H 6 4.541 4.541 4.626 -0.085 18980 2029 1 9 . 1 1 6 6 PHE CA C 6 55.112 55.112 56.195 -1.083 18980 2030 1 9 . 1 1 6 6 PHE CB C 6 36.457 36.457 39.866 -3.409 18980 2031 1 9 . 1 1 6 6 PHE H H 6 8.164 8.164 7.621 0.543 18980 2032 1 9 . 1 1 7 7 ARG N N 7 121.606 121.606 120.292 1.314 18980 2033 1 9 . 1 1 7 7 ARG HA H 7 4.193 4.193 4.231 -0.038 18980 2034 1 9 . 1 1 7 7 ARG CA C 7 53.586 53.586 57.525 -3.939 18980 2035 1 9 . 1 1 7 7 ARG CB C 7 27.788 27.788 29.901 -2.113 18980 2036 1 9 . 1 1 7 7 ARG H H 7 8.184 8.184 8.694 -0.510 18980 2037 1 9 . 1 1 8 8 ASN N N 8 118.773 118.773 119.766 -0.993 18980 2038 1 9 . 1 1 8 8 ASN HA H 8 4.570 4.570 4.849 -0.279 18980 2039 1 9 . 1 1 8 8 ASN CA C 8 50.518 50.518 54.071 -3.553 18980 2040 1 9 . 1 1 8 8 ASN CB C 8 35.894 35.894 41.549 -5.655 18980 2041 1 9 . 1 1 8 8 ASN H H 8 8.294 8.294 9.202 -0.908 18980 2042 1 9 . 1 1 9 9 GLN N N 9 120.522 120.522 117.834 2.688 18980 2043 1 9 . 1 1 9 9 GLN HA H 9 4.245 4.245 4.483 -0.238 18980 2044 1 9 . 1 1 9 9 GLN CA C 9 53.202 53.202 56.139 -2.937 18980 2045 1 9 . 1 1 9 9 GLN CB C 9 26.688 26.688 31.653 -4.965 18980 2046 1 9 . 1 1 9 9 GLN H H 9 8.218 8.218 8.905 -0.687 18980 2047 1 9 . 1 1 10 10 ARG N N 10 121.826 121.826 122.351 -0.525 18980 2048 1 9 . 1 1 10 10 ARG HA H 10 4.244 4.244 4.302 -0.058 18980 2049 1 9 . 1 1 10 10 ARG CA C 10 53.208 53.208 56.853 -3.645 18980 2050 1 9 . 1 1 10 10 ARG CB C 10 27.939 27.939 30.544 -2.605 18980 2051 1 9 . 1 1 10 10 ARG H H 10 8.273 8.273 8.585 -0.312 18980 2052 1 9 . 1 1 11 11 LYS N N 11 122.737 122.737 123.420 -0.683 18980 2053 1 9 . 1 1 11 11 LYS HA H 11 4.263 4.263 4.093 0.170 18980 2054 1 9 . 1 1 11 11 LYS CA C 11 53.578 53.578 58.493 -4.915 18980 2055 1 9 . 1 1 11 11 LYS CB C 11 30.323 30.323 31.117 -0.794 18980 2056 1 9 . 1 1 11 11 LYS H H 11 8.299 8.299 9.007 -0.708 18980 2057 1 9 . 1 1 12 12 THR N N 12 116.442 116.442 114.696 1.746 18980 2058 1 9 . 1 1 12 12 THR HA H 12 4.254 4.254 4.493 -0.239 18980 2059 1 9 . 1 1 12 12 THR CA C 12 58.726 58.726 61.221 -2.495 18980 2060 1 9 . 1 1 12 12 THR CB C 12 66.915 66.915 72.035 -5.120 18980 2061 1 9 . 1 1 12 12 THR H H 12 8.088 8.088 7.792 0.296 18980 2062 1 9 . 1 1 13 13 VAL N N 13 122.626 122.626 123.366 -0.740 18980 2063 1 9 . 1 1 13 13 VAL HA H 13 4.021 4.021 4.255 -0.234 18980 2064 1 9 . 1 1 13 13 VAL CA C 13 58.497 58.497 59.567 -1.070 18980 2065 1 9 . 1 1 13 13 VAL CB C 13 30.485 30.485 34.318 -3.833 18980 2066 1 9 . 1 1 13 13 VAL H H 13 8.209 8.209 8.325 -0.116 18980 2067 1 9 . 1 1 14 14 LYS N N 14 123.504 123.504 127.048 -3.544 18980 2068 1 9 . 1 1 14 14 LYS HA H 14 4.412 4.412 4.495 -0.083 18980 2069 1 9 . 1 1 14 14 LYS CA C 14 51.599 51.599 54.355 -2.756 18980 2070 1 9 . 1 1 14 14 LYS CB C 14 31.540 31.540 34.977 -3.437 18980 2071 1 9 . 1 1 14 14 LYS H H 14 8.012 8.012 7.966 0.046 18980 2072 1 9 . 1 1 15 15 CYS N N 15 129.731 129.731 126.241 3.490 18980 2073 1 9 . 1 1 15 15 CYS HA H 15 4.215 4.215 4.159 0.056 18980 2074 1 9 . 1 1 15 15 CYS CA C 15 56.967 56.967 58.935 -1.968 18980 2075 1 9 . 1 1 15 15 CYS CB C 15 27.829 27.829 27.608 0.221 18980 2076 1 9 . 1 1 15 15 CYS H H 15 8.256 8.256 8.462 -0.206 18980 2077 1 9 . 1 1 16 16 PHE N N 16 128.836 128.836 124.009 4.827 18980 2078 1 9 . 1 1 16 16 PHE HA H 16 4.615 4.615 4.266 0.349 18980 2079 1 9 . 1 1 16 16 PHE CA C 16 56.137 56.137 57.909 -1.772 18980 2080 1 9 . 1 1 16 16 PHE CB C 16 37.103 37.103 38.715 -1.612 18980 2081 1 9 . 1 1 16 16 PHE H H 16 9.299 9.299 8.344 0.955 18980 2082 1 9 . 1 1 17 17 ASN N N 17 118.280 118.280 117.775 0.505 18980 2083 1 9 . 1 1 17 17 ASN HA H 17 3.816 3.816 3.982 -0.166 18980 2084 1 9 . 1 1 17 17 ASN CA C 17 53.075 53.075 55.329 -2.254 18980 2085 1 9 . 1 1 17 17 ASN CB C 17 36.212 36.212 38.604 -2.392 18980 2086 1 9 . 1 1 17 17 ASN H H 17 9.156 9.156 7.440 1.716 18980 2087 1 9 . 1 1 18 18 CYS N N 18 116.876 116.876 113.732 3.144 18980 2088 1 9 . 1 1 18 18 CYS HA H 18 4.696 4.696 4.728 -0.032 18980 2089 1 9 . 1 1 18 18 CYS CA C 18 56.126 56.126 56.839 -0.713 18980 2090 1 9 . 1 1 18 18 CYS CB C 18 29.066 29.066 27.822 1.244 18980 2091 1 9 . 1 1 18 18 CYS H H 18 8.489 8.489 7.516 0.973 18980 2092 1 9 . 1 1 19 19 GLY N N 19 112.394 112.394 109.662 2.732 18980 2093 1 9 . 1 1 19 19 GLY CA C 19 43.589 43.589 45.528 -1.939 18980 2094 1 9 . 1 1 19 19 GLY H H 19 7.703 7.703 8.535 -0.832 18980 2095 1 9 . 1 1 20 20 LYS N N 20 120.951 120.951 120.747 0.204 18980 2096 1 9 . 1 1 20 20 LYS HA H 20 4.364 4.364 4.484 -0.120 18980 2097 1 9 . 1 1 20 20 LYS CA C 20 53.066 53.066 54.737 -1.671 18980 2098 1 9 . 1 1 20 20 LYS CB C 20 30.653 30.653 34.041 -3.388 18980 2099 1 9 . 1 1 20 20 LYS H H 20 8.162 8.162 7.524 0.638 18980 2100 1 9 . 1 1 21 21 GLU N N 21 119.095 119.095 121.078 -1.983 18980 2101 1 9 . 1 1 21 21 GLU HA H 21 4.602 4.602 4.309 0.293 18980 2102 1 9 . 1 1 21 21 GLU CA C 21 53.327 53.327 58.234 -4.907 18980 2103 1 9 . 1 1 21 21 GLU CB C 21 28.049 28.049 30.000 -1.951 18980 2104 1 9 . 1 1 21 21 GLU H H 21 8.454 8.454 8.842 -0.388 18980 2105 1 9 . 1 1 22 22 GLY N N 22 107.727 107.727 109.559 -1.832 18980 2106 1 9 . 1 1 22 22 GLY CA C 22 42.965 42.965 45.734 -2.769 18980 2107 1 9 . 1 1 22 22 GLY H H 22 8.639 8.639 8.532 0.107 18980 2108 1 9 . 1 1 23 23 HIS N N 23 113.019 113.019 115.105 -2.086 18980 2109 1 9 . 1 1 23 23 HIS HA H 23 4.613 4.613 5.077 -0.464 18980 2110 1 9 . 1 1 23 23 HIS CA C 23 52.409 52.409 54.797 -2.388 18980 2111 1 9 . 1 1 23 23 HIS CB C 23 27.389 27.389 31.718 -4.329 18980 2112 1 9 . 1 1 23 23 HIS H H 23 6.992 6.992 7.187 -0.195 18980 2113 1 9 . 1 1 24 24 ILE N N 24 105.931 105.931 113.758 -7.827 18980 2114 1 9 . 1 1 24 24 ILE HA H 24 4.313 4.313 4.411 -0.098 18980 2115 1 9 . 1 1 24 24 ILE CA C 24 56.515 56.515 58.413 -1.898 18980 2116 1 9 . 1 1 24 24 ILE CB C 24 38.320 38.320 41.500 -3.180 18980 2117 1 9 . 1 1 24 24 ILE H H 24 7.578 7.578 8.804 -1.226 18980 2118 1 9 . 1 1 25 25 ALA N N 25 122.665 122.665 124.889 -2.224 18980 2119 1 9 . 1 1 25 25 ALA HA H 25 4.521 4.521 3.849 0.672 18980 2120 1 9 . 1 1 25 25 ALA CA C 25 53.097 53.097 54.836 -1.739 18980 2121 1 9 . 1 1 25 25 ALA CB C 25 16.460 16.460 17.916 -1.456 18980 2122 1 9 . 1 1 25 25 ALA H H 25 8.944 8.944 8.411 0.533 18980 2123 1 9 . 1 1 26 26 LYS N N 26 117.327 117.327 117.543 -0.216 18980 2124 1 9 . 1 1 26 26 LYS HA H 26 2.735 2.735 4.115 -1.380 18980 2125 1 9 . 1 1 26 26 LYS CA C 26 55.268 55.268 58.852 -3.584 18980 2126 1 9 . 1 1 26 26 LYS CB C 26 31.527 31.527 32.466 -0.939 18980 2127 1 9 . 1 1 26 26 LYS H H 26 6.448 6.448 8.422 -1.974 18980 2128 1 9 . 1 1 27 27 ASN N N 27 111.844 111.844 113.652 -1.808 18980 2129 1 9 . 1 1 27 27 ASN HA H 27 4.844 4.844 4.745 0.099 18980 2130 1 9 . 1 1 27 27 ASN CA C 27 48.766 48.766 52.206 -3.440 18980 2131 1 9 . 1 1 27 27 ASN CB C 27 37.372 37.372 38.587 -1.215 18980 2132 1 9 . 1 1 27 27 ASN H H 27 7.536 7.536 7.782 -0.246 18980 2133 1 9 . 1 1 28 28 CYS N N 28 122.908 122.908 120.529 2.379 18980 2134 1 9 . 1 1 28 28 CYS HA H 28 3.590 3.590 4.032 -0.442 18980 2135 1 9 . 1 1 28 28 CYS CA C 28 58.923 58.923 60.146 -1.223 18980 2136 1 9 . 1 1 28 28 CYS CB C 28 28.111 28.111 28.180 -0.069 18980 2137 1 9 . 1 1 28 28 CYS H H 28 7.195 7.195 7.870 -0.675 18980 2138 1 9 . 1 1 29 29 ARG N N 29 129.416 129.416 126.746 2.670 18980 2139 1 9 . 1 1 29 29 ARG HA H 29 4.446 4.446 4.402 0.044 18980 2140 1 9 . 1 1 29 29 ARG CA C 29 52.480 52.480 56.021 -3.541 18980 2141 1 9 . 1 1 29 29 ARG CB C 29 27.564 27.564 30.703 -3.139 18980 2142 1 9 . 1 1 29 29 ARG H H 29 8.885 8.885 8.471 0.414 18980 2143 1 9 . 1 1 30 30 ALA N N 30 127.959 127.959 124.423 3.536 18980 2144 1 9 . 1 1 30 30 ALA HA H 30 4.475 4.475 4.580 -0.105 18980 2145 1 9 . 1 1 30 30 ALA CA C 30 48.220 48.220 50.645 -2.425 18980 2146 1 9 . 1 1 30 30 ALA CB C 30 15.112 15.112 18.503 -3.391 18980 2147 1 9 . 1 1 30 30 ALA H H 30 8.744 8.744 7.469 1.275 18980 2148 1 9 . 1 1 31 31 PRO HA H 31 4.238 4.238 4.513 -0.275 18980 2149 1 9 . 1 1 31 31 PRO CA C 31 60.017 60.017 62.875 -2.858 18980 2150 1 9 . 1 1 31 31 PRO CB C 31 28.726 28.726 32.875 -4.149 18980 2151 1 9 . 1 1 32 32 ARG N N 32 123.635 123.635 121.219 2.416 18980 2152 1 9 . 1 1 32 32 ARG HA H 32 4.391 4.391 4.851 -0.460 18980 2153 1 9 . 1 1 32 32 ARG CA C 32 53.336 53.336 55.343 -2.007 18980 2154 1 9 . 1 1 32 32 ARG CB C 32 27.689 27.689 32.139 -4.450 18980 2155 1 9 . 1 1 32 32 ARG H H 32 8.740 8.740 8.371 0.369 18980 2156 1 9 . 1 1 33 33 LYS N N 33 127.972 127.972 123.992 3.980 18980 2157 1 9 . 1 1 33 33 LYS HA H 33 4.339 4.339 4.299 0.040 18980 2158 1 9 . 1 1 33 33 LYS CA C 33 53.372 53.372 56.938 -3.566 18980 2159 1 9 . 1 1 33 33 LYS CB C 33 30.439 30.439 33.155 -2.716 18980 2160 1 9 . 1 1 33 33 LYS H H 33 8.868 8.868 8.810 0.058 18980 2161 1 9 . 1 1 34 34 LYS N N 34 120.697 120.697 120.221 0.476 18980 2162 1 9 . 1 1 34 34 LYS HA H 34 4.393 4.393 4.314 0.079 18980 2163 1 9 . 1 1 34 34 LYS CA C 34 54.385 54.385 56.559 -2.175 18980 2164 1 9 . 1 1 34 34 LYS CB C 34 30.651 30.651 32.428 -1.777 18980 2165 1 9 . 1 1 34 34 LYS H H 34 8.300 8.300 8.517 -0.217 18980 2166 1 9 . 1 1 35 35 GLY N N 35 109.787 109.787 106.596 3.191 18980 2167 1 9 . 1 1 35 35 GLY CA C 35 40.646 40.646 44.522 -3.876 18980 2168 1 9 . 1 1 35 35 GLY H H 35 8.518 8.518 7.400 1.118 18980 2169 1 9 . 1 1 36 36 CYS N N 36 122.657 122.657 120.805 1.852 18980 2170 1 9 . 1 1 36 36 CYS HA H 36 3.994 3.994 3.997 -0.003 18980 2171 1 9 . 1 1 36 36 CYS CA C 36 57.328 57.328 58.520 -1.192 18980 2172 1 9 . 1 1 36 36 CYS CB C 36 27.259 27.259 27.641 -0.382 18980 2173 1 9 . 1 1 36 36 CYS H H 36 8.249 8.249 8.192 0.057 18980 2174 1 9 . 1 1 37 37 TRP N N 37 132.646 132.646 125.661 6.985 18980 2175 1 9 . 1 1 37 37 TRP HA H 37 4.763 4.763 4.581 0.182 18980 2176 1 9 . 1 1 37 37 TRP CA C 37 54.955 54.955 57.212 -2.257 18980 2177 1 9 . 1 1 37 37 TRP CB C 37 26.102 26.102 29.134 -3.032 18980 2178 1 9 . 1 1 37 37 TRP H H 37 9.218 9.218 8.300 0.918 18980 2179 1 9 . 1 1 38 38 LYS N N 38 121.676 121.676 116.949 4.727 18980 2180 1 9 . 1 1 38 38 LYS HA H 38 4.200 4.200 4.132 0.068 18980 2181 1 9 . 1 1 38 38 LYS CA C 38 55.916 55.916 57.493 -1.577 18980 2182 1 9 . 1 1 38 38 LYS CB C 38 31.288 31.288 33.667 -2.379 18980 2183 1 9 . 1 1 38 38 LYS H H 38 9.626 9.626 7.749 1.877 18980 2184 1 9 . 1 1 39 39 CYS N N 39 117.746 117.746 113.572 4.174 18980 2185 1 9 . 1 1 39 39 CYS HA H 39 4.929 4.929 4.833 0.096 18980 2186 1 9 . 1 1 39 39 CYS CA C 39 56.058 56.058 58.718 -2.660 18980 2187 1 9 . 1 1 39 39 CYS CB C 39 29.705 29.705 29.445 0.261 18980 2188 1 9 . 1 1 39 39 CYS H H 39 8.612 8.612 7.911 0.701 18980 2189 1 9 . 1 1 40 40 GLY N N 40 113.510 113.510 111.276 2.234 18980 2190 1 9 . 1 1 40 40 GLY CA C 40 43.398 43.398 45.030 -1.632 18980 2191 1 9 . 1 1 40 40 GLY H H 40 8.050 8.050 8.075 -0.025 18980 2192 1 9 . 1 1 41 41 LYS N N 41 121.911 121.911 121.539 0.372 18980 2193 1 9 . 1 1 41 41 LYS HA H 41 4.296 4.296 4.436 -0.140 18980 2194 1 9 . 1 1 41 41 LYS CA C 41 54.068 54.068 55.900 -1.831 18980 2195 1 9 . 1 1 41 41 LYS CB C 41 30.765 30.765 33.445 -2.680 18980 2196 1 9 . 1 1 41 41 LYS H H 41 8.340 8.340 7.566 0.774 18980 2197 1 9 . 1 1 42 42 GLU N N 42 119.418 119.418 119.268 0.150 18980 2198 1 9 . 1 1 42 42 GLU HA H 42 4.116 4.116 4.412 -0.296 18980 2199 1 9 . 1 1 42 42 GLU CA C 42 54.054 54.054 56.356 -2.303 18980 2200 1 9 . 1 1 42 42 GLU CB C 42 27.786 27.786 30.345 -2.559 18980 2201 1 9 . 1 1 42 42 GLU H H 42 8.501 8.501 8.518 -0.017 18980 2202 1 9 . 1 1 43 43 GLY N N 43 107.782 107.782 108.769 -0.987 18980 2203 1 9 . 1 1 43 43 GLY CA C 43 42.789 42.789 46.008 -3.219 18980 2204 1 9 . 1 1 43 43 GLY H H 43 8.719 8.719 8.900 -0.181 18980 2205 1 9 . 1 1 44 44 HIS N N 44 111.284 111.284 115.491 -4.207 18980 2206 1 9 . 1 1 44 44 HIS HA H 44 4.587 4.587 4.701 -0.114 18980 2207 1 9 . 1 1 44 44 HIS CA C 44 52.665 52.665 54.259 -1.594 18980 2208 1 9 . 1 1 44 44 HIS CB C 44 27.416 27.416 30.385 -2.969 18980 2209 1 9 . 1 1 44 44 HIS H H 44 6.810 6.810 7.768 -0.958 18980 2210 1 9 . 1 1 45 45 GLN N N 45 117.297 117.297 118.924 -1.627 18980 2211 1 9 . 1 1 45 45 GLN HA H 45 3.773 3.773 4.370 -0.597 18980 2212 1 9 . 1 1 45 45 GLN CA C 45 51.454 51.454 54.049 -2.595 18980 2213 1 9 . 1 1 45 45 GLN CB C 45 28.905 28.905 30.885 -1.980 18980 2214 1 9 . 1 1 45 45 GLN H H 45 8.781 8.781 8.531 0.250 18980 2215 1 9 . 1 1 46 46 MET N N 46 117.926 117.926 119.836 -1.910 18980 2216 1 9 . 1 1 46 46 MET HA H 46 4.820 4.820 4.288 0.532 18980 2217 1 9 . 1 1 46 46 MET CA C 46 57.542 57.542 58.136 -0.594 18980 2218 1 9 . 1 1 46 46 MET CB C 46 29.549 29.549 32.236 -2.688 18980 2219 1 9 . 1 1 46 46 MET H H 46 9.008 9.008 8.512 0.496 18980 2220 1 9 . 1 1 47 47 LYS N N 47 117.631 117.631 115.915 1.716 18980 2221 1 9 . 1 1 47 47 LYS HA H 47 3.448 3.448 4.172 -0.724 18980 2222 1 9 . 1 1 47 47 LYS CA C 47 54.988 54.988 57.643 -2.655 18980 2223 1 9 . 1 1 47 47 LYS CB C 47 28.285 28.285 31.850 -3.565 18980 2224 1 9 . 1 1 47 47 LYS H H 47 6.430 6.430 7.709 -1.279 18980 2225 1 9 . 1 1 48 48 ASP N N 48 117.363 117.363 119.861 -2.498 18980 2226 1 9 . 1 1 48 48 ASP HA H 48 4.780 4.780 4.620 0.160 18980 2227 1 9 . 1 1 48 48 ASP CA C 48 50.600 50.600 55.383 -4.783 18980 2228 1 9 . 1 1 48 48 ASP CB C 48 40.029 40.029 41.826 -1.797 18980 2229 1 9 . 1 1 48 48 ASP H H 48 7.560 7.560 7.818 -0.258 18980 2230 1 9 . 1 1 49 49 CYS N N 49 122.910 122.910 120.943 1.967 18980 2231 1 9 . 1 1 49 49 CYS HA H 49 3.682 3.682 4.430 -0.748 18980 2232 1 9 . 1 1 49 49 CYS CA C 49 59.557 59.557 58.361 1.196 18980 2233 1 9 . 1 1 49 49 CYS CB C 49 28.040 28.040 24.684 3.356 18980 2234 1 9 . 1 1 49 49 CYS H H 49 7.091 7.091 7.741 -0.650 18980 2235 1 9 . 1 1 50 50 THR N N 50 119.675 119.675 119.266 0.409 18980 2236 1 9 . 1 1 50 50 THR HA H 50 4.293 4.293 4.153 0.140 18980 2237 1 9 . 1 1 50 50 THR CA C 50 58.855 58.855 64.511 -5.656 18980 2238 1 9 . 1 1 50 50 THR CB C 50 66.355 66.355 68.956 -2.601 18980 2239 1 9 . 1 1 50 50 THR H H 50 8.139 8.139 8.166 -0.027 18980 2240 1 9 . 1 1 51 51 GLU N N 51 124.935 124.935 121.077 3.858 18980 2241 1 9 . 1 1 51 51 GLU HA H 51 4.164 4.164 4.715 -0.551 18980 2242 1 9 . 1 1 51 51 GLU CA C 51 54.061 54.061 55.355 -1.294 18980 2243 1 9 . 1 1 51 51 GLU CB C 51 27.130 27.130 31.281 -4.151 18980 2244 1 9 . 1 1 51 51 GLU H H 51 8.551 8.551 8.403 0.148 18980 2245 1 9 . 1 1 52 52 ARG N N 52 122.624 122.624 120.709 1.915 18980 2246 1 9 . 1 1 52 52 ARG HA H 52 4.248 4.248 4.532 -0.284 18980 2247 1 9 . 1 1 52 52 ARG CA C 52 53.402 53.402 55.747 -2.345 18980 2248 1 9 . 1 1 52 52 ARG CB C 52 28.028 28.028 31.454 -3.426 18980 2249 1 9 . 1 1 52 52 ARG H H 52 8.287 8.287 8.466 -0.179 18980 2250 1 9 . 1 1 53 53 GLN N N 53 121.647 121.647 120.496 1.151 18980 2251 1 9 . 1 1 53 53 GLN HA H 53 4.248 4.248 4.864 -0.616 18980 2252 1 9 . 1 1 53 53 GLN CA C 53 52.946 52.946 54.742 -1.796 18980 2253 1 9 . 1 1 53 53 GLN CB C 53 26.794 26.794 31.669 -4.875 18980 2254 1 9 . 1 1 53 53 GLN H H 53 8.381 8.381 8.710 -0.329 18980 2255 1 9 . 1 1 54 54 ALA N N 54 125.878 125.878 124.331 1.547 18980 2256 1 9 . 1 1 54 54 ALA HA H 54 4.296 4.296 4.614 -0.318 18980 2257 1 9 . 1 1 54 54 ALA CA C 54 49.575 49.575 52.014 -2.439 18980 2258 1 9 . 1 1 54 54 ALA CB C 54 16.704 16.704 19.443 -2.739 18980 2259 1 9 . 1 1 54 54 ALA H H 54 8.338 8.338 8.887 -0.549 18980 2260 1 10 . 1 1 2 2 GLN N N 2 125.073 125.073 123.970 1.103 18980 2261 1 10 . 1 1 2 2 GLN HA H 2 4.309 4.309 4.539 -0.230 18980 2262 1 10 . 1 1 2 2 GLN CA C 2 52.755 52.755 54.719 -1.964 18980 2263 1 10 . 1 1 2 2 GLN CB C 2 26.728 26.728 30.507 -3.779 18980 2264 1 10 . 1 1 2 2 GLN H H 2 8.503 8.503 8.134 0.369 18980 2265 1 10 . 1 1 3 3 LYS N N 3 123.202 123.202 123.099 0.103 18980 2266 1 10 . 1 1 3 3 LYS HA H 3 4.271 4.271 4.136 0.135 18980 2267 1 10 . 1 1 3 3 LYS CA C 3 53.658 53.658 58.147 -4.489 18980 2268 1 10 . 1 1 3 3 LYS CB C 3 30.442 30.442 32.314 -1.872 18980 2269 1 10 . 1 1 3 3 LYS H H 3 8.414 8.414 8.940 -0.526 18980 2270 1 10 . 1 1 4 4 GLY N N 4 109.574 109.574 104.933 4.641 18980 2271 1 10 . 1 1 4 4 GLY CA C 4 42.455 42.455 45.247 -2.792 18980 2272 1 10 . 1 1 4 4 GLY H H 4 8.394 8.394 8.638 -0.244 18980 2273 1 10 . 1 1 5 5 ASN N N 5 118.311 118.311 118.346 -0.035 18980 2274 1 10 . 1 1 5 5 ASN HA H 5 4.625 4.625 4.343 0.282 18980 2275 1 10 . 1 1 5 5 ASN CA C 5 50.146 50.146 54.917 -4.771 18980 2276 1 10 . 1 1 5 5 ASN CB C 5 36.059 36.059 38.556 -2.497 18980 2277 1 10 . 1 1 5 5 ASN H H 5 8.240 8.240 7.710 0.530 18980 2278 1 10 . 1 1 6 6 PHE N N 6 120.460 120.460 118.932 1.528 18980 2279 1 10 . 1 1 6 6 PHE HA H 6 4.541 4.541 4.586 -0.045 18980 2280 1 10 . 1 1 6 6 PHE CA C 6 55.112 55.112 56.907 -1.795 18980 2281 1 10 . 1 1 6 6 PHE CB C 6 36.457 36.457 40.025 -3.568 18980 2282 1 10 . 1 1 6 6 PHE H H 6 8.164 8.164 7.397 0.767 18980 2283 1 10 . 1 1 7 7 ARG N N 7 121.606 121.606 123.812 -2.206 18980 2284 1 10 . 1 1 7 7 ARG HA H 7 4.193 4.193 4.349 -0.156 18980 2285 1 10 . 1 1 7 7 ARG CA C 7 53.586 53.586 56.404 -2.818 18980 2286 1 10 . 1 1 7 7 ARG CB C 7 27.788 27.788 29.895 -2.107 18980 2287 1 10 . 1 1 7 7 ARG H H 7 8.184 8.184 8.742 -0.558 18980 2288 1 10 . 1 1 8 8 ASN N N 8 118.773 118.773 119.134 -0.361 18980 2289 1 10 . 1 1 8 8 ASN HA H 8 4.570 4.570 4.909 -0.339 18980 2290 1 10 . 1 1 8 8 ASN CA C 8 50.518 50.518 53.097 -2.579 18980 2291 1 10 . 1 1 8 8 ASN CB C 8 35.894 35.894 39.972 -4.078 18980 2292 1 10 . 1 1 8 8 ASN H H 8 8.294 8.294 8.605 -0.311 18980 2293 1 10 . 1 1 9 9 GLN N N 9 120.522 120.522 118.602 1.920 18980 2294 1 10 . 1 1 9 9 GLN HA H 9 4.245 4.245 4.340 -0.095 18980 2295 1 10 . 1 1 9 9 GLN CA C 9 53.202 53.202 56.570 -3.368 18980 2296 1 10 . 1 1 9 9 GLN CB C 9 26.688 26.688 30.016 -3.328 18980 2297 1 10 . 1 1 9 9 GLN H H 9 8.218 8.218 7.774 0.444 18980 2298 1 10 . 1 1 10 10 ARG N N 10 121.826 121.826 122.075 -0.249 18980 2299 1 10 . 1 1 10 10 ARG HA H 10 4.244 4.244 4.303 -0.059 18980 2300 1 10 . 1 1 10 10 ARG CA C 10 53.208 53.208 56.567 -3.359 18980 2301 1 10 . 1 1 10 10 ARG CB C 10 27.939 27.939 30.493 -2.554 18980 2302 1 10 . 1 1 10 10 ARG H H 10 8.273 8.273 8.482 -0.209 18980 2303 1 10 . 1 1 11 11 LYS N N 11 122.737 122.737 123.530 -0.793 18980 2304 1 10 . 1 1 11 11 LYS HA H 11 4.263 4.263 3.965 0.298 18980 2305 1 10 . 1 1 11 11 LYS CA C 11 53.578 53.578 58.253 -4.675 18980 2306 1 10 . 1 1 11 11 LYS CB C 11 30.323 30.323 32.085 -1.762 18980 2307 1 10 . 1 1 11 11 LYS H H 11 8.299 8.299 9.042 -0.743 18980 2308 1 10 . 1 1 12 12 THR N N 12 116.442 116.442 114.983 1.459 18980 2309 1 10 . 1 1 12 12 THR HA H 12 4.254 4.254 4.451 -0.197 18980 2310 1 10 . 1 1 12 12 THR CA C 12 58.726 58.726 61.512 -2.786 18980 2311 1 10 . 1 1 12 12 THR CB C 12 66.915 66.915 71.925 -5.010 18980 2312 1 10 . 1 1 12 12 THR H H 12 8.088 8.088 8.101 -0.013 18980 2313 1 10 . 1 1 13 13 VAL N N 13 122.626 122.626 121.579 1.047 18980 2314 1 10 . 1 1 13 13 VAL HA H 13 4.021 4.021 4.343 -0.322 18980 2315 1 10 . 1 1 13 13 VAL CA C 13 58.497 58.497 59.080 -0.583 18980 2316 1 10 . 1 1 13 13 VAL CB C 13 30.485 30.485 33.962 -3.477 18980 2317 1 10 . 1 1 13 13 VAL H H 13 8.209 8.209 8.364 -0.155 18980 2318 1 10 . 1 1 14 14 LYS N N 14 123.504 123.504 127.398 -3.894 18980 2319 1 10 . 1 1 14 14 LYS HA H 14 4.412 4.412 4.455 -0.043 18980 2320 1 10 . 1 1 14 14 LYS CA C 14 51.599 51.599 54.265 -2.666 18980 2321 1 10 . 1 1 14 14 LYS CB C 14 31.540 31.540 34.410 -2.869 18980 2322 1 10 . 1 1 14 14 LYS H H 14 8.012 8.012 8.051 -0.039 18980 2323 1 10 . 1 1 15 15 CYS N N 15 129.731 129.731 126.434 3.297 18980 2324 1 10 . 1 1 15 15 CYS HA H 15 4.215 4.215 4.079 0.136 18980 2325 1 10 . 1 1 15 15 CYS CA C 15 56.967 56.967 58.843 -1.876 18980 2326 1 10 . 1 1 15 15 CYS CB C 15 27.829 27.829 27.590 0.239 18980 2327 1 10 . 1 1 15 15 CYS H H 15 8.256 8.256 8.507 -0.251 18980 2328 1 10 . 1 1 16 16 PHE N N 16 128.836 128.836 123.600 5.236 18980 2329 1 10 . 1 1 16 16 PHE HA H 16 4.615 4.615 4.261 0.354 18980 2330 1 10 . 1 1 16 16 PHE CA C 16 56.137 56.137 57.491 -1.354 18980 2331 1 10 . 1 1 16 16 PHE CB C 16 37.103 37.103 38.602 -1.499 18980 2332 1 10 . 1 1 16 16 PHE H H 16 9.299 9.299 8.280 1.019 18980 2333 1 10 . 1 1 17 17 ASN N N 17 118.280 118.280 117.913 0.367 18980 2334 1 10 . 1 1 17 17 ASN HA H 17 3.816 3.816 4.085 -0.269 18980 2335 1 10 . 1 1 17 17 ASN CA C 17 53.075 53.075 55.430 -2.355 18980 2336 1 10 . 1 1 17 17 ASN CB C 17 36.212 36.212 38.690 -2.478 18980 2337 1 10 . 1 1 17 17 ASN H H 17 9.156 9.156 7.404 1.752 18980 2338 1 10 . 1 1 18 18 CYS N N 18 116.876 116.876 113.923 2.953 18980 2339 1 10 . 1 1 18 18 CYS HA H 18 4.696 4.696 4.624 0.072 18980 2340 1 10 . 1 1 18 18 CYS CA C 18 56.126 56.126 57.474 -1.348 18980 2341 1 10 . 1 1 18 18 CYS CB C 18 29.066 29.066 28.470 0.596 18980 2342 1 10 . 1 1 18 18 CYS H H 18 8.489 8.489 7.397 1.092 18980 2343 1 10 . 1 1 19 19 GLY N N 19 112.394 112.394 110.294 2.100 18980 2344 1 10 . 1 1 19 19 GLY CA C 19 43.589 43.589 45.312 -1.723 18980 2345 1 10 . 1 1 19 19 GLY H H 19 7.703 7.703 8.145 -0.442 18980 2346 1 10 . 1 1 20 20 LYS N N 20 120.951 120.951 120.593 0.358 18980 2347 1 10 . 1 1 20 20 LYS HA H 20 4.364 4.364 4.491 -0.127 18980 2348 1 10 . 1 1 20 20 LYS CA C 20 53.066 53.066 54.712 -1.646 18980 2349 1 10 . 1 1 20 20 LYS CB C 20 30.653 30.653 33.999 -3.346 18980 2350 1 10 . 1 1 20 20 LYS H H 20 8.162 8.162 7.277 0.885 18980 2351 1 10 . 1 1 21 21 GLU N N 21 119.095 119.095 120.331 -1.236 18980 2352 1 10 . 1 1 21 21 GLU HA H 21 4.602 4.602 4.408 0.194 18980 2353 1 10 . 1 1 21 21 GLU CA C 21 53.327 53.327 58.118 -4.791 18980 2354 1 10 . 1 1 21 21 GLU CB C 21 28.049 28.049 30.149 -2.100 18980 2355 1 10 . 1 1 21 21 GLU H H 21 8.454 8.454 8.767 -0.313 18980 2356 1 10 . 1 1 22 22 GLY N N 22 107.727 107.727 108.857 -1.130 18980 2357 1 10 . 1 1 22 22 GLY CA C 22 42.965 42.965 45.938 -2.973 18980 2358 1 10 . 1 1 22 22 GLY H H 22 8.639 8.639 8.477 0.162 18980 2359 1 10 . 1 1 23 23 HIS N N 23 113.019 113.019 115.296 -2.277 18980 2360 1 10 . 1 1 23 23 HIS HA H 23 4.613 4.613 5.082 -0.469 18980 2361 1 10 . 1 1 23 23 HIS CA C 23 52.409 52.409 54.800 -2.391 18980 2362 1 10 . 1 1 23 23 HIS CB C 23 27.389 27.389 31.683 -4.294 18980 2363 1 10 . 1 1 23 23 HIS H H 23 6.992 6.992 7.184 -0.192 18980 2364 1 10 . 1 1 24 24 ILE N N 24 105.931 105.931 113.342 -7.411 18980 2365 1 10 . 1 1 24 24 ILE HA H 24 4.313 4.313 4.344 -0.031 18980 2366 1 10 . 1 1 24 24 ILE CA C 24 56.515 56.515 58.368 -1.853 18980 2367 1 10 . 1 1 24 24 ILE CB C 24 38.320 38.320 41.639 -3.320 18980 2368 1 10 . 1 1 24 24 ILE H H 24 7.578 7.578 8.772 -1.194 18980 2369 1 10 . 1 1 25 25 ALA N N 25 122.665 122.665 124.582 -1.917 18980 2370 1 10 . 1 1 25 25 ALA HA H 25 4.521 4.521 3.787 0.734 18980 2371 1 10 . 1 1 25 25 ALA CA C 25 53.097 53.097 54.773 -1.676 18980 2372 1 10 . 1 1 25 25 ALA CB C 25 16.460 16.460 17.765 -1.305 18980 2373 1 10 . 1 1 25 25 ALA H H 25 8.944 8.944 8.359 0.585 18980 2374 1 10 . 1 1 26 26 LYS N N 26 117.327 117.327 117.664 -0.337 18980 2375 1 10 . 1 1 26 26 LYS HA H 26 2.735 2.735 4.109 -1.374 18980 2376 1 10 . 1 1 26 26 LYS CA C 26 55.268 55.268 59.263 -3.995 18980 2377 1 10 . 1 1 26 26 LYS CB C 26 31.527 31.527 32.383 -0.856 18980 2378 1 10 . 1 1 26 26 LYS H H 26 6.448 6.448 8.406 -1.958 18980 2379 1 10 . 1 1 27 27 ASN N N 27 111.844 111.844 114.178 -2.334 18980 2380 1 10 . 1 1 27 27 ASN HA H 27 4.844 4.844 4.738 0.106 18980 2381 1 10 . 1 1 27 27 ASN CA C 27 48.766 48.766 52.118 -3.352 18980 2382 1 10 . 1 1 27 27 ASN CB C 27 37.372 37.372 38.407 -1.035 18980 2383 1 10 . 1 1 27 27 ASN H H 27 7.536 7.536 7.782 -0.246 18980 2384 1 10 . 1 1 28 28 CYS N N 28 122.908 122.908 119.580 3.328 18980 2385 1 10 . 1 1 28 28 CYS HA H 28 3.590 3.590 4.032 -0.442 18980 2386 1 10 . 1 1 28 28 CYS CA C 28 58.923 58.923 60.230 -1.307 18980 2387 1 10 . 1 1 28 28 CYS CB C 28 28.111 28.111 27.966 0.145 18980 2388 1 10 . 1 1 28 28 CYS H H 28 7.195 7.195 7.989 -0.794 18980 2389 1 10 . 1 1 29 29 ARG N N 29 129.416 129.416 126.691 2.725 18980 2390 1 10 . 1 1 29 29 ARG HA H 29 4.446 4.446 4.521 -0.075 18980 2391 1 10 . 1 1 29 29 ARG CA C 29 52.480 52.480 55.636 -3.156 18980 2392 1 10 . 1 1 29 29 ARG CB C 29 27.564 27.564 29.950 -2.386 18980 2393 1 10 . 1 1 29 29 ARG H H 29 8.885 8.885 8.544 0.341 18980 2394 1 10 . 1 1 30 30 ALA N N 30 127.959 127.959 125.590 2.369 18980 2395 1 10 . 1 1 30 30 ALA HA H 30 4.475 4.475 4.548 -0.073 18980 2396 1 10 . 1 1 30 30 ALA CA C 30 48.220 48.220 50.248 -2.028 18980 2397 1 10 . 1 1 30 30 ALA CB C 30 15.112 15.112 18.161 -3.049 18980 2398 1 10 . 1 1 30 30 ALA H H 30 8.744 8.744 7.444 1.300 18980 2399 1 10 . 1 1 31 31 PRO HA H 31 4.238 4.238 4.434 -0.196 18980 2400 1 10 . 1 1 31 31 PRO CA C 31 60.017 60.017 62.942 -2.925 18980 2401 1 10 . 1 1 31 31 PRO CB C 31 28.726 28.726 32.430 -3.704 18980 2402 1 10 . 1 1 32 32 ARG N N 32 123.635 123.635 122.351 1.284 18980 2403 1 10 . 1 1 32 32 ARG HA H 32 4.391 4.391 4.805 -0.414 18980 2404 1 10 . 1 1 32 32 ARG CA C 32 53.336 53.336 55.557 -2.221 18980 2405 1 10 . 1 1 32 32 ARG CB C 32 27.689 27.689 31.961 -4.272 18980 2406 1 10 . 1 1 32 32 ARG H H 32 8.740 8.740 8.346 0.394 18980 2407 1 10 . 1 1 33 33 LYS N N 33 127.972 127.972 123.516 4.456 18980 2408 1 10 . 1 1 33 33 LYS HA H 33 4.339 4.339 4.268 0.071 18980 2409 1 10 . 1 1 33 33 LYS CA C 33 53.372 53.372 56.859 -3.487 18980 2410 1 10 . 1 1 33 33 LYS CB C 33 30.439 30.439 33.115 -2.676 18980 2411 1 10 . 1 1 33 33 LYS H H 33 8.868 8.868 8.666 0.202 18980 2412 1 10 . 1 1 34 34 LYS N N 34 120.697 120.697 120.238 0.459 18980 2413 1 10 . 1 1 34 34 LYS HA H 34 4.393 4.393 4.374 0.019 18980 2414 1 10 . 1 1 34 34 LYS CA C 34 54.385 54.385 55.926 -1.541 18980 2415 1 10 . 1 1 34 34 LYS CB C 34 30.651 30.651 32.323 -1.672 18980 2416 1 10 . 1 1 34 34 LYS H H 34 8.300 8.300 8.542 -0.242 18980 2417 1 10 . 1 1 35 35 GLY N N 35 109.787 109.787 106.290 3.497 18980 2418 1 10 . 1 1 35 35 GLY CA C 35 40.646 40.646 44.465 -3.819 18980 2419 1 10 . 1 1 35 35 GLY H H 35 8.518 8.518 7.347 1.171 18980 2420 1 10 . 1 1 36 36 CYS N N 36 122.657 122.657 120.070 2.587 18980 2421 1 10 . 1 1 36 36 CYS HA H 36 3.994 3.994 4.183 -0.189 18980 2422 1 10 . 1 1 36 36 CYS CA C 36 57.328 57.328 58.261 -0.933 18980 2423 1 10 . 1 1 36 36 CYS CB C 36 27.259 27.259 27.948 -0.689 18980 2424 1 10 . 1 1 36 36 CYS H H 36 8.249 8.249 8.084 0.165 18980 2425 1 10 . 1 1 37 37 TRP N N 37 132.646 132.646 125.888 6.758 18980 2426 1 10 . 1 1 37 37 TRP HA H 37 4.763 4.763 4.630 0.133 18980 2427 1 10 . 1 1 37 37 TRP CA C 37 54.955 54.955 57.278 -2.323 18980 2428 1 10 . 1 1 37 37 TRP CB C 37 26.102 26.102 29.262 -3.160 18980 2429 1 10 . 1 1 37 37 TRP H H 37 9.218 9.218 8.357 0.861 18980 2430 1 10 . 1 1 38 38 LYS N N 38 121.676 121.676 117.597 4.079 18980 2431 1 10 . 1 1 38 38 LYS HA H 38 4.200 4.200 4.117 0.083 18980 2432 1 10 . 1 1 38 38 LYS CA C 38 55.916 55.916 58.324 -2.408 18980 2433 1 10 . 1 1 38 38 LYS CB C 38 31.288 31.288 33.847 -2.559 18980 2434 1 10 . 1 1 38 38 LYS H H 38 9.626 9.626 7.833 1.793 18980 2435 1 10 . 1 1 39 39 CYS N N 39 117.746 117.746 113.242 4.504 18980 2436 1 10 . 1 1 39 39 CYS HA H 39 4.929 4.929 4.787 0.142 18980 2437 1 10 . 1 1 39 39 CYS CA C 39 56.058 56.058 57.657 -1.599 18980 2438 1 10 . 1 1 39 39 CYS CB C 39 29.705 29.705 28.917 0.788 18980 2439 1 10 . 1 1 39 39 CYS H H 39 8.612 8.612 7.696 0.916 18980 2440 1 10 . 1 1 40 40 GLY N N 40 113.510 113.510 110.337 3.173 18980 2441 1 10 . 1 1 40 40 GLY CA C 40 43.398 43.398 45.289 -1.891 18980 2442 1 10 . 1 1 40 40 GLY H H 40 8.050 8.050 8.369 -0.319 18980 2443 1 10 . 1 1 41 41 LYS N N 41 121.911 121.911 121.667 0.244 18980 2444 1 10 . 1 1 41 41 LYS HA H 41 4.296 4.296 4.327 -0.031 18980 2445 1 10 . 1 1 41 41 LYS CA C 41 54.068 54.068 56.007 -1.939 18980 2446 1 10 . 1 1 41 41 LYS CB C 41 30.765 30.765 33.238 -2.473 18980 2447 1 10 . 1 1 41 41 LYS H H 41 8.340 8.340 7.460 0.880 18980 2448 1 10 . 1 1 42 42 GLU N N 42 119.418 119.418 119.704 -0.286 18980 2449 1 10 . 1 1 42 42 GLU HA H 42 4.116 4.116 4.033 0.083 18980 2450 1 10 . 1 1 42 42 GLU CA C 42 54.054 54.054 56.651 -2.597 18980 2451 1 10 . 1 1 42 42 GLU CB C 42 27.786 27.786 30.224 -2.438 18980 2452 1 10 . 1 1 42 42 GLU H H 42 8.501 8.501 8.398 0.103 18980 2453 1 10 . 1 1 43 43 GLY N N 43 107.782 107.782 111.651 -3.869 18980 2454 1 10 . 1 1 43 43 GLY CA C 43 42.789 42.789 45.657 -2.868 18980 2455 1 10 . 1 1 43 43 GLY H H 43 8.719 8.719 8.624 0.095 18980 2456 1 10 . 1 1 44 44 HIS N N 44 111.284 111.284 121.334 -10.050 18980 2457 1 10 . 1 1 44 44 HIS HA H 44 4.587 4.587 4.626 -0.039 18980 2458 1 10 . 1 1 44 44 HIS CA C 44 52.665 52.665 55.042 -2.377 18980 2459 1 10 . 1 1 44 44 HIS CB C 44 27.416 27.416 30.529 -3.113 18980 2460 1 10 . 1 1 44 44 HIS H H 44 6.810 6.810 7.918 -1.108 18980 2461 1 10 . 1 1 45 45 GLN N N 45 117.297 117.297 119.342 -2.045 18980 2462 1 10 . 1 1 45 45 GLN HA H 45 3.773 3.773 4.289 -0.516 18980 2463 1 10 . 1 1 45 45 GLN CA C 45 51.454 51.454 54.570 -3.116 18980 2464 1 10 . 1 1 45 45 GLN CB C 45 28.905 28.905 30.266 -1.361 18980 2465 1 10 . 1 1 45 45 GLN H H 45 8.781 8.781 8.712 0.069 18980 2466 1 10 . 1 1 46 46 MET N N 46 117.926 117.926 122.442 -4.516 18980 2467 1 10 . 1 1 46 46 MET HA H 46 4.820 4.820 4.340 0.480 18980 2468 1 10 . 1 1 46 46 MET CA C 46 57.542 57.542 58.144 -0.602 18980 2469 1 10 . 1 1 46 46 MET CB C 46 29.549 29.549 32.248 -2.699 18980 2470 1 10 . 1 1 46 46 MET H H 46 9.008 9.008 8.634 0.374 18980 2471 1 10 . 1 1 47 47 LYS N N 47 117.631 117.631 116.066 1.565 18980 2472 1 10 . 1 1 47 47 LYS HA H 47 3.448 3.448 4.154 -0.706 18980 2473 1 10 . 1 1 47 47 LYS CA C 47 54.988 54.988 58.047 -3.059 18980 2474 1 10 . 1 1 47 47 LYS CB C 47 28.285 28.285 31.821 -3.536 18980 2475 1 10 . 1 1 47 47 LYS H H 47 6.430 6.430 7.859 -1.429 18980 2476 1 10 . 1 1 48 48 ASP N N 48 117.363 117.363 119.913 -2.550 18980 2477 1 10 . 1 1 48 48 ASP HA H 48 4.780 4.780 4.599 0.181 18980 2478 1 10 . 1 1 48 48 ASP CA C 48 50.600 50.600 55.093 -4.493 18980 2479 1 10 . 1 1 48 48 ASP CB C 48 40.029 40.029 41.707 -1.678 18980 2480 1 10 . 1 1 48 48 ASP H H 48 7.560 7.560 7.794 -0.234 18980 2481 1 10 . 1 1 49 49 CYS N N 49 122.910 122.910 119.546 3.364 18980 2482 1 10 . 1 1 49 49 CYS HA H 49 3.682 3.682 4.207 -0.525 18980 2483 1 10 . 1 1 49 49 CYS CA C 49 59.557 59.557 59.590 -0.033 18980 2484 1 10 . 1 1 49 49 CYS CB C 49 28.040 28.040 27.320 0.720 18980 2485 1 10 . 1 1 49 49 CYS H H 49 7.091 7.091 7.677 -0.586 18980 2486 1 10 . 1 1 50 50 THR N N 50 119.675 119.675 122.619 -2.944 18980 2487 1 10 . 1 1 50 50 THR HA H 50 4.293 4.293 4.240 0.053 18980 2488 1 10 . 1 1 50 50 THR CA C 50 58.855 58.855 63.595 -4.740 18980 2489 1 10 . 1 1 50 50 THR CB C 50 66.355 66.355 68.968 -2.613 18980 2490 1 10 . 1 1 50 50 THR H H 50 8.139 8.139 8.553 -0.414 18980 2491 1 10 . 1 1 51 51 GLU N N 51 124.935 124.935 123.003 1.932 18980 2492 1 10 . 1 1 51 51 GLU HA H 51 4.164 4.164 4.510 -0.346 18980 2493 1 10 . 1 1 51 51 GLU CA C 51 54.061 54.061 55.399 -1.338 18980 2494 1 10 . 1 1 51 51 GLU CB C 51 27.130 27.130 30.774 -3.644 18980 2495 1 10 . 1 1 51 51 GLU H H 51 8.551 8.551 8.411 0.141 18980 2496 1 10 . 1 1 52 52 ARG N N 52 122.624 122.624 121.669 0.955 18980 2497 1 10 . 1 1 52 52 ARG HA H 52 4.248 4.248 4.371 -0.123 18980 2498 1 10 . 1 1 52 52 ARG CA C 52 53.402 53.402 55.513 -2.111 18980 2499 1 10 . 1 1 52 52 ARG CB C 52 28.028 28.028 31.065 -3.037 18980 2500 1 10 . 1 1 52 52 ARG H H 52 8.287 8.287 8.507 -0.220 18980 2501 1 10 . 1 1 53 53 GLN N N 53 121.647 121.647 119.492 2.155 18980 2502 1 10 . 1 1 53 53 GLN HA H 53 4.248 4.248 4.250 -0.002 18980 2503 1 10 . 1 1 53 53 GLN CA C 53 52.946 52.946 55.788 -2.842 18980 2504 1 10 . 1 1 53 53 GLN CB C 53 26.794 26.794 29.146 -2.352 18980 2505 1 10 . 1 1 53 53 GLN H H 53 8.381 8.381 8.368 0.013 18980 2506 1 10 . 1 1 54 54 ALA N N 54 125.878 125.878 123.370 2.508 18980 2507 1 10 . 1 1 54 54 ALA HA H 54 4.296 4.296 4.541 -0.245 18980 2508 1 10 . 1 1 54 54 ALA CA C 54 49.575 49.575 51.848 -2.273 18980 2509 1 10 . 1 1 54 54 ALA CB C 54 16.704 16.704 21.257 -4.553 18980 2510 1 10 . 1 1 54 54 ALA H H 54 8.338 8.338 8.256 0.082 18980 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 2.950 -0.960 2.816 18980 2 1 1 "Average Difference" HA 59 0.374 0.083 0.368 18980 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18980 4 1 1 "Average Difference" CA 53 2.694 2.463 1.103 18980 5 1 1 "Average Difference" CB 47 2.849 2.387 1.572 18980 6 1 1 "Average Difference" HN 52 0.684 -0.092 0.685 18980 7 1 2 "Average Difference" N 52 3.179 -0.557 3.160 18980 8 1 2 "Average Difference" HA 59 0.367 0.038 0.368 18980 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18980 10 1 2 "Average Difference" CA 53 2.643 2.483 0.915 18980 11 1 2 "Average Difference" CB 47 2.699 2.330 1.377 18980 12 1 2 "Average Difference" HN 52 0.749 -0.099 0.750 18980 13 1 3 "Average Difference" N 52 3.018 -1.016 2.870 18980 14 1 3 "Average Difference" HA 59 0.373 0.053 0.372 18980 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18980 16 1 3 "Average Difference" CA 53 2.774 2.479 1.257 18980 17 1 3 "Average Difference" CB 47 2.969 2.451 1.694 18980 18 1 3 "Average Difference" HN 52 0.696 -0.096 0.696 18980 19 1 4 "Average Difference" N 52 3.053 -0.952 2.929 18980 20 1 4 "Average Difference" HA 59 0.377 0.046 0.377 18980 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18980 22 1 4 "Average Difference" CA 53 2.855 2.584 1.224 18980 23 1 4 "Average Difference" CB 47 2.679 2.338 1.323 18980 24 1 4 "Average Difference" HN 52 0.686 -0.077 0.689 18980 25 1 5 "Average Difference" N 52 3.053 -0.952 2.929 18980 26 1 5 "Average Difference" HA 59 0.377 0.046 0.377 18980 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18980 28 1 5 "Average Difference" CA 53 2.855 2.584 1.224 18980 29 1 5 "Average Difference" CB 47 2.679 2.338 1.323 18980 30 1 5 "Average Difference" HN 52 0.686 -0.077 0.689 18980 31 1 6 "Average Difference" N 52 3.372 -1.179 3.190 18980 32 1 6 "Average Difference" HA 59 0.366 0.058 0.365 18980 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18980 34 1 6 "Average Difference" CA 53 2.850 2.603 1.170 18980 35 1 6 "Average Difference" CB 47 2.848 2.485 1.408 18980 36 1 6 "Average Difference" HN 52 0.692 -0.102 0.691 18980 37 1 7 "Average Difference" N 52 3.394 -0.893 3.306 18980 38 1 7 "Average Difference" HA 59 0.404 0.036 0.406 18980 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18980 40 1 7 "Average Difference" CA 53 2.809 2.536 1.218 18980 41 1 7 "Average Difference" CB 47 2.842 2.420 1.505 18980 42 1 7 "Average Difference" HN 52 0.722 -0.097 0.722 18980 43 1 8 "Average Difference" N 52 3.129 -0.919 3.020 18980 44 1 8 "Average Difference" HA 59 0.372 0.020 0.375 18980 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18980 46 1 8 "Average Difference" CA 53 2.834 2.586 1.173 18980 47 1 8 "Average Difference" CB 47 2.661 2.266 1.410 18980 48 1 8 "Average Difference" HN 52 0.687 -0.113 0.684 18980 49 1 9 "Average Difference" N 52 2.827 -0.939 2.693 18980 50 1 9 "Average Difference" HA 59 0.392 0.091 0.384 18980 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18980 52 1 9 "Average Difference" CA 53 2.771 2.481 1.245 18980 53 1 9 "Average Difference" CB 47 3.069 2.528 1.760 18980 54 1 9 "Average Difference" HN 52 0.737 -0.025 0.744 18980 55 1 10 "Average Difference" N 52 3.160 -0.531 3.146 18980 56 1 10 "Average Difference" HA 59 0.359 0.035 0.360 18980 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18980 58 1 10 "Average Difference" CA 53 2.761 2.528 1.119 18980 59 1 10 "Average Difference" CB 47 2.761 2.390 1.397 18980 60 1 10 "Average Difference" HN 52 0.741 -0.072 0.745 18980 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 18980 _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 GLN N N 2 125.073 125.073 123.602 1.471 18980 2 1 . 1 1 2 2 GLN HA H 2 4.309 4.309 4.606 -0.297 18980 3 1 . 1 1 2 2 GLN CA C 2 52.755 52.755 55.319 -2.564 18980 4 1 . 1 1 2 2 GLN CB C 2 26.728 26.728 30.776 -4.048 18980 5 1 . 1 1 2 2 GLN H H 2 8.503 8.503 8.344 0.159 18980 6 1 . 1 1 3 3 LYS N N 3 123.202 123.202 121.434 1.768 18980 7 1 . 1 1 3 3 LYS HA H 3 4.271 4.271 4.189 0.082 18980 8 1 . 1 1 3 3 LYS CA C 3 53.658 53.658 56.988 -3.330 18980 9 1 . 1 1 3 3 LYS CB C 3 30.442 30.442 32.539 -2.097 18980 10 1 . 1 1 3 3 LYS H H 3 8.414 8.414 8.701 -0.287 18980 11 1 . 1 1 4 4 GLY N N 4 109.574 109.574 107.453 2.121 18980 12 1 . 1 1 4 4 GLY CA C 4 42.455 42.455 44.549 -2.094 18980 13 1 . 1 1 4 4 GLY H H 4 8.394 8.394 8.036 0.358 18980 14 1 . 1 1 5 5 ASN N N 5 118.311 118.311 118.673 -0.362 18980 15 1 . 1 1 5 5 ASN HA H 5 4.625 4.625 4.497 0.128 18980 16 1 . 1 1 5 5 ASN CA C 5 50.146 50.146 53.606 -3.460 18980 17 1 . 1 1 5 5 ASN CB C 5 36.059 36.059 38.720 -2.661 18980 18 1 . 1 1 5 5 ASN H H 5 8.240 8.240 8.040 0.200 18980 19 1 . 1 1 6 6 PHE N N 6 120.460 120.460 119.729 0.731 18980 20 1 . 1 1 6 6 PHE HA H 6 4.541 4.541 4.684 -0.144 18980 21 1 . 1 1 6 6 PHE CA C 6 55.112 55.112 56.816 -1.704 18980 22 1 . 1 1 6 6 PHE CB C 6 36.457 36.457 40.359 -3.902 18980 23 1 . 1 1 6 6 PHE H H 6 8.164 8.164 7.825 0.339 18980 24 1 . 1 1 7 7 ARG N N 7 121.606 121.606 121.143 0.463 18980 25 1 . 1 1 7 7 ARG HA H 7 4.193 4.193 4.307 -0.114 18980 26 1 . 1 1 7 7 ARG CA C 7 53.586 53.586 56.504 -2.918 18980 27 1 . 1 1 7 7 ARG CB C 7 27.788 27.788 29.099 -1.311 18980 28 1 . 1 1 7 7 ARG H H 7 8.184 8.184 8.844 -0.659 18980 29 1 . 1 1 8 8 ASN N N 8 118.773 118.773 118.581 0.192 18980 30 1 . 1 1 8 8 ASN HA H 8 4.570 4.570 4.695 -0.125 18980 31 1 . 1 1 8 8 ASN CA C 8 50.518 50.518 54.304 -3.786 18980 32 1 . 1 1 8 8 ASN CB C 8 35.894 35.894 38.762 -2.868 18980 33 1 . 1 1 8 8 ASN H H 8 8.294 8.294 8.758 -0.465 18980 34 1 . 1 1 9 9 GLN N N 9 120.522 120.522 117.227 3.295 18980 35 1 . 1 1 9 9 GLN HA H 9 4.245 4.245 4.385 -0.140 18980 36 1 . 1 1 9 9 GLN CA C 9 53.202 53.202 56.265 -3.063 18980 37 1 . 1 1 9 9 GLN CB C 9 26.688 26.688 30.091 -3.403 18980 38 1 . 1 1 9 9 GLN H H 9 8.218 8.218 8.115 0.103 18980 39 1 . 1 1 10 10 ARG N N 10 121.826 121.826 121.909 -0.083 18980 40 1 . 1 1 10 10 ARG HA H 10 4.244 4.244 4.317 -0.073 18980 41 1 . 1 1 10 10 ARG CA C 10 53.208 53.208 56.465 -3.257 18980 42 1 . 1 1 10 10 ARG CB C 10 27.939 27.939 30.178 -2.239 18980 43 1 . 1 1 10 10 ARG H H 10 8.273 8.273 8.238 0.035 18980 44 1 . 1 1 11 11 LYS N N 11 122.737 122.737 122.249 0.488 18980 45 1 . 1 1 11 11 LYS HA H 11 4.263 4.263 4.026 0.237 18980 46 1 . 1 1 11 11 LYS CA C 11 53.578 53.578 58.407 -4.829 18980 47 1 . 1 1 11 11 LYS CB C 11 30.323 30.323 31.690 -1.367 18980 48 1 . 1 1 11 11 LYS H H 11 8.299 8.299 8.678 -0.379 18980 49 1 . 1 1 12 12 THR N N 12 116.442 116.442 114.137 2.305 18980 50 1 . 1 1 12 12 THR HA H 12 4.254 4.254 4.460 -0.206 18980 51 1 . 1 1 12 12 THR CA C 12 58.726 58.726 61.808 -3.082 18980 52 1 . 1 1 12 12 THR CB C 12 66.915 66.915 70.953 -4.038 18980 53 1 . 1 1 12 12 THR H H 12 8.088 8.088 7.897 0.191 18980 54 1 . 1 1 13 13 VAL N N 13 122.626 122.626 119.864 2.762 18980 55 1 . 1 1 13 13 VAL HA H 13 4.021 4.021 4.445 -0.424 18980 56 1 . 1 1 13 13 VAL CA C 13 58.497 58.497 60.082 -1.585 18980 57 1 . 1 1 13 13 VAL CB C 13 30.485 30.485 34.897 -4.412 18980 58 1 . 1 1 13 13 VAL H H 13 8.209 8.209 8.195 0.014 18980 59 1 . 1 1 14 14 LYS N N 14 123.504 123.504 127.160 -3.656 18980 60 1 . 1 1 14 14 LYS HA H 14 4.412 4.412 4.528 -0.116 18980 61 1 . 1 1 14 14 LYS CA C 14 51.599 51.599 54.408 -2.809 18980 62 1 . 1 1 14 14 LYS CB C 14 31.540 31.540 34.871 -3.331 18980 63 1 . 1 1 14 14 LYS H H 14 8.012 8.012 8.098 -0.085 18980 64 1 . 1 1 15 15 CYS N N 15 129.731 129.731 126.087 3.644 18980 65 1 . 1 1 15 15 CYS HA H 15 4.215 4.215 4.149 0.066 18980 66 1 . 1 1 15 15 CYS CA C 15 56.967 56.967 58.999 -2.032 18980 67 1 . 1 1 15 15 CYS CB C 15 27.829 27.829 28.062 -0.233 18980 68 1 . 1 1 15 15 CYS H H 15 8.256 8.256 8.404 -0.148 18980 69 1 . 1 1 16 16 PHE N N 16 128.836 128.836 123.729 5.107 18980 70 1 . 1 1 16 16 PHE HA H 16 4.615 4.615 4.247 0.368 18980 71 1 . 1 1 16 16 PHE CA C 16 56.137 56.137 58.021 -1.884 18980 72 1 . 1 1 16 16 PHE CB C 16 37.103 37.103 38.700 -1.597 18980 73 1 . 1 1 16 16 PHE H H 16 9.299 9.299 8.363 0.936 18980 74 1 . 1 1 17 17 ASN N N 17 118.280 118.280 117.780 0.500 18980 75 1 . 1 1 17 17 ASN HA H 17 3.816 3.816 4.175 -0.358 18980 76 1 . 1 1 17 17 ASN CA C 17 53.075 53.075 55.315 -2.240 18980 77 1 . 1 1 17 17 ASN CB C 17 36.212 36.212 38.759 -2.547 18980 78 1 . 1 1 17 17 ASN H H 17 9.156 9.156 7.489 1.667 18980 79 1 . 1 1 18 18 CYS N N 18 116.876 116.876 113.905 2.971 18980 80 1 . 1 1 18 18 CYS HA H 18 4.696 4.696 4.756 -0.060 18980 81 1 . 1 1 18 18 CYS CA C 18 56.126 56.126 58.031 -1.905 18980 82 1 . 1 1 18 18 CYS CB C 18 29.066 29.066 27.941 1.125 18980 83 1 . 1 1 18 18 CYS H H 18 8.489 8.489 7.496 0.994 18980 84 1 . 1 1 19 19 GLY N N 19 112.394 112.394 110.134 2.260 18980 85 1 . 1 1 19 19 GLY CA C 19 43.589 43.589 45.339 -1.750 18980 86 1 . 1 1 19 19 GLY H H 19 7.703 7.703 8.251 -0.548 18980 87 1 . 1 1 20 20 LYS N N 20 120.951 120.951 121.203 -0.251 18980 88 1 . 1 1 20 20 LYS HA H 20 4.364 4.364 4.455 -0.091 18980 89 1 . 1 1 20 20 LYS CA C 20 53.066 53.066 55.065 -1.999 18980 90 1 . 1 1 20 20 LYS CB C 20 30.653 30.653 33.758 -3.105 18980 91 1 . 1 1 20 20 LYS H H 20 8.162 8.162 7.375 0.787 18980 92 1 . 1 1 21 21 GLU N N 21 119.095 119.095 120.569 -1.474 18980 93 1 . 1 1 21 21 GLU HA H 21 4.602 4.602 4.355 0.247 18980 94 1 . 1 1 21 21 GLU CA C 21 53.327 53.327 58.185 -4.858 18980 95 1 . 1 1 21 21 GLU CB C 21 28.049 28.049 30.161 -2.112 18980 96 1 . 1 1 21 21 GLU H H 21 8.454 8.454 8.729 -0.275 18980 97 1 . 1 1 22 22 GLY N N 22 107.727 107.727 108.870 -1.143 18980 98 1 . 1 1 22 22 GLY CA C 22 42.965 42.965 45.953 -2.988 18980 99 1 . 1 1 22 22 GLY H H 22 8.639 8.639 8.472 0.167 18980 100 1 . 1 1 23 23 HIS N N 23 113.019 113.019 115.651 -2.632 18980 101 1 . 1 1 23 23 HIS HA H 23 4.613 4.613 4.855 -0.242 18980 102 1 . 1 1 23 23 HIS CA C 23 52.409 52.409 54.674 -2.265 18980 103 1 . 1 1 23 23 HIS CB C 23 27.389 27.389 31.521 -4.132 18980 104 1 . 1 1 23 23 HIS H H 23 6.992 6.992 7.289 -0.297 18980 105 1 . 1 1 24 24 ILE N N 24 105.931 105.931 112.979 -7.048 18980 106 1 . 1 1 24 24 ILE HA H 24 4.313 4.313 4.345 -0.032 18980 107 1 . 1 1 24 24 ILE CA C 24 56.515 56.515 58.291 -1.776 18980 108 1 . 1 1 24 24 ILE CB C 24 38.320 38.320 41.494 -3.174 18980 109 1 . 1 1 24 24 ILE H H 24 7.578 7.578 8.220 -0.642 18980 110 1 . 1 1 25 25 ALA N N 25 122.665 122.665 125.062 -2.397 18980 111 1 . 1 1 25 25 ALA HA H 25 4.521 4.521 3.810 0.710 18980 112 1 . 1 1 25 25 ALA CA C 25 53.097 53.097 54.823 -1.726 18980 113 1 . 1 1 25 25 ALA CB C 25 16.460 16.460 17.939 -1.479 18980 114 1 . 1 1 25 25 ALA H H 25 8.944 8.944 8.401 0.543 18980 115 1 . 1 1 26 26 LYS N N 26 117.327 117.327 116.358 0.970 18980 116 1 . 1 1 26 26 LYS HA H 26 2.735 2.735 4.087 -1.352 18980 117 1 . 1 1 26 26 LYS CA C 26 55.268 55.268 58.829 -3.561 18980 118 1 . 1 1 26 26 LYS CB C 26 31.527 31.527 32.333 -0.806 18980 119 1 . 1 1 26 26 LYS H H 26 6.448 6.448 8.300 -1.852 18980 120 1 . 1 1 27 27 ASN N N 27 111.844 111.844 115.912 -4.068 18980 121 1 . 1 1 27 27 ASN HA H 27 4.844 4.844 4.708 0.136 18980 122 1 . 1 1 27 27 ASN CA C 27 48.766 48.766 52.876 -4.110 18980 123 1 . 1 1 27 27 ASN CB C 27 37.372 37.372 39.289 -1.917 18980 124 1 . 1 1 27 27 ASN H H 27 7.536 7.536 7.724 -0.188 18980 125 1 . 1 1 28 28 CYS N N 28 122.908 122.908 119.755 3.153 18980 126 1 . 1 1 28 28 CYS HA H 28 3.590 3.590 4.098 -0.508 18980 127 1 . 1 1 28 28 CYS CA C 28 58.923 58.923 60.085 -1.162 18980 128 1 . 1 1 28 28 CYS CB C 28 28.111 28.111 27.964 0.147 18980 129 1 . 1 1 28 28 CYS H H 28 7.195 7.195 7.861 -0.666 18980 130 1 . 1 1 29 29 ARG N N 29 129.416 129.416 125.736 3.680 18980 131 1 . 1 1 29 29 ARG HA H 29 4.446 4.446 4.458 -0.012 18980 132 1 . 1 1 29 29 ARG CA C 29 52.480 52.480 55.571 -3.091 18980 133 1 . 1 1 29 29 ARG CB C 29 27.564 27.564 30.310 -2.747 18980 134 1 . 1 1 29 29 ARG H H 29 8.885 8.885 8.500 0.385 18980 135 1 . 1 1 30 30 ALA N N 30 127.959 127.959 125.411 2.548 18980 136 1 . 1 1 30 30 ALA HA H 30 4.475 4.475 4.501 -0.026 18980 137 1 . 1 1 30 30 ALA CA C 30 48.220 48.220 50.630 -2.410 18980 138 1 . 1 1 30 30 ALA CB C 30 15.112 15.112 18.405 -3.293 18980 139 1 . 1 1 30 30 ALA H H 30 8.744 8.744 7.465 1.279 18980 140 1 . 1 1 31 31 PRO HA H 31 4.238 4.238 4.455 -0.217 18980 141 1 . 1 1 31 31 PRO CA C 31 60.017 60.017 62.973 -2.956 18980 142 1 . 1 1 31 31 PRO CB C 31 28.726 28.726 32.624 -3.898 18980 143 1 . 1 1 32 32 ARG N N 32 123.635 123.635 122.305 1.330 18980 144 1 . 1 1 32 32 ARG HA H 32 4.391 4.391 4.746 -0.355 18980 145 1 . 1 1 32 32 ARG CA C 32 53.336 53.336 55.404 -2.068 18980 146 1 . 1 1 32 32 ARG CB C 32 27.689 27.689 31.752 -4.063 18980 147 1 . 1 1 32 32 ARG H H 32 8.740 8.740 8.405 0.335 18980 148 1 . 1 1 33 33 LYS N N 33 127.972 127.972 123.905 4.067 18980 149 1 . 1 1 33 33 LYS HA H 33 4.339 4.339 4.332 0.007 18980 150 1 . 1 1 33 33 LYS CA C 33 53.372 53.372 56.750 -3.378 18980 151 1 . 1 1 33 33 LYS CB C 33 30.439 30.439 33.138 -2.699 18980 152 1 . 1 1 33 33 LYS H H 33 8.868 8.868 8.788 0.080 18980 153 1 . 1 1 34 34 LYS N N 34 120.697 120.697 120.411 0.286 18980 154 1 . 1 1 34 34 LYS HA H 34 4.393 4.393 4.344 0.049 18980 155 1 . 1 1 34 34 LYS CA C 34 54.385 54.385 56.134 -1.749 18980 156 1 . 1 1 34 34 LYS CB C 34 30.651 30.651 32.438 -1.788 18980 157 1 . 1 1 34 34 LYS H H 34 8.300 8.300 8.566 -0.266 18980 158 1 . 1 1 35 35 GLY N N 35 109.787 109.787 105.858 3.929 18980 159 1 . 1 1 35 35 GLY CA C 35 40.646 40.646 44.525 -3.879 18980 160 1 . 1 1 35 35 GLY H H 35 8.518 8.518 7.350 1.168 18980 161 1 . 1 1 36 36 CYS N N 36 122.657 122.657 120.073 2.584 18980 162 1 . 1 1 36 36 CYS HA H 36 3.994 3.994 4.093 -0.099 18980 163 1 . 1 1 36 36 CYS CA C 36 57.328 57.328 58.509 -1.181 18980 164 1 . 1 1 36 36 CYS CB C 36 27.259 27.259 28.020 -0.762 18980 165 1 . 1 1 36 36 CYS H H 36 8.249 8.249 8.078 0.172 18980 166 1 . 1 1 37 37 TRP N N 37 132.646 132.646 125.827 6.819 18980 167 1 . 1 1 37 37 TRP HA H 37 4.763 4.763 4.597 0.166 18980 168 1 . 1 1 37 37 TRP CA C 37 54.955 54.955 57.379 -2.424 18980 169 1 . 1 1 37 37 TRP CB C 37 26.102 26.102 29.187 -3.085 18980 170 1 . 1 1 37 37 TRP H H 37 9.218 9.218 8.324 0.894 18980 171 1 . 1 1 38 38 LYS N N 38 121.676 121.676 117.921 3.755 18980 172 1 . 1 1 38 38 LYS HA H 38 4.200 4.200 4.090 0.110 18980 173 1 . 1 1 38 38 LYS CA C 38 55.916 55.916 58.085 -2.169 18980 174 1 . 1 1 38 38 LYS CB C 38 31.288 31.288 33.411 -2.123 18980 175 1 . 1 1 38 38 LYS H H 38 9.626 9.626 7.803 1.823 18980 176 1 . 1 1 39 39 CYS N N 39 117.746 117.746 113.356 4.390 18980 177 1 . 1 1 39 39 CYS HA H 39 4.929 4.929 4.844 0.085 18980 178 1 . 1 1 39 39 CYS CA C 39 56.058 56.058 57.708 -1.650 18980 179 1 . 1 1 39 39 CYS CB C 39 29.705 29.705 29.355 0.350 18980 180 1 . 1 1 39 39 CYS H H 39 8.612 8.612 7.809 0.803 18980 181 1 . 1 1 40 40 GLY N N 40 113.510 113.510 110.743 2.767 18980 182 1 . 1 1 40 40 GLY CA C 40 43.398 43.398 45.259 -1.862 18980 183 1 . 1 1 40 40 GLY H H 40 8.050 8.050 8.124 -0.074 18980 184 1 . 1 1 41 41 LYS N N 41 121.911 121.911 121.580 0.331 18980 185 1 . 1 1 41 41 LYS HA H 41 4.296 4.296 4.426 -0.130 18980 186 1 . 1 1 41 41 LYS CA C 41 54.068 54.068 55.844 -1.776 18980 187 1 . 1 1 41 41 LYS CB C 41 30.765 30.765 33.410 -2.645 18980 188 1 . 1 1 41 41 LYS H H 41 8.340 8.340 7.527 0.814 18980 189 1 . 1 1 42 42 GLU N N 42 119.418 119.418 119.708 -0.290 18980 190 1 . 1 1 42 42 GLU HA H 42 4.116 4.116 4.200 -0.084 18980 191 1 . 1 1 42 42 GLU CA C 42 54.054 54.054 56.470 -2.416 18980 192 1 . 1 1 42 42 GLU CB C 42 27.786 27.786 30.295 -2.509 18980 193 1 . 1 1 42 42 GLU H H 42 8.501 8.501 8.481 0.020 18980 194 1 . 1 1 43 43 GLY N N 43 107.782 107.782 109.247 -1.465 18980 195 1 . 1 1 43 43 GLY CA C 43 42.789 42.789 45.825 -3.036 18980 196 1 . 1 1 43 43 GLY H H 43 8.719 8.719 8.760 -0.041 18980 197 1 . 1 1 44 44 HIS N N 44 111.284 111.284 116.906 -5.622 18980 198 1 . 1 1 44 44 HIS HA H 44 4.587 4.587 4.702 -0.115 18980 199 1 . 1 1 44 44 HIS CA C 44 52.665 52.665 54.355 -1.690 18980 200 1 . 1 1 44 44 HIS CB C 44 27.416 27.416 30.467 -3.051 18980 201 1 . 1 1 44 44 HIS H H 44 6.810 6.810 7.758 -0.948 18980 202 1 . 1 1 45 45 GLN N N 45 117.297 117.297 118.987 -1.690 18980 203 1 . 1 1 45 45 GLN HA H 45 3.773 3.773 4.394 -0.621 18980 204 1 . 1 1 45 45 GLN CA C 45 51.454 51.454 54.202 -2.748 18980 205 1 . 1 1 45 45 GLN CB C 45 28.905 28.905 30.725 -1.820 18980 206 1 . 1 1 45 45 GLN H H 45 8.781 8.781 8.631 0.150 18980 207 1 . 1 1 46 46 MET N N 46 117.926 117.926 121.770 -3.844 18980 208 1 . 1 1 46 46 MET HA H 46 4.820 4.820 4.314 0.506 18980 209 1 . 1 1 46 46 MET CA C 46 57.542 57.542 58.166 -0.624 18980 210 1 . 1 1 46 46 MET CB C 46 29.549 29.549 32.276 -2.727 18980 211 1 . 1 1 46 46 MET H H 46 9.008 9.008 8.609 0.399 18980 212 1 . 1 1 47 47 LYS N N 47 117.631 117.631 116.523 1.108 18980 213 1 . 1 1 47 47 LYS HA H 47 3.448 3.448 4.168 -0.720 18980 214 1 . 1 1 47 47 LYS CA C 47 54.988 54.988 57.875 -2.887 18980 215 1 . 1 1 47 47 LYS CB C 47 28.285 28.285 31.829 -3.544 18980 216 1 . 1 1 47 47 LYS H H 47 6.430 6.430 7.877 -1.447 18980 217 1 . 1 1 48 48 ASP N N 48 117.363 117.363 119.634 -2.271 18980 218 1 . 1 1 48 48 ASP HA H 48 4.780 4.780 4.641 0.139 18980 219 1 . 1 1 48 48 ASP CA C 48 50.600 50.600 54.910 -4.311 18980 220 1 . 1 1 48 48 ASP CB C 48 40.029 40.029 41.719 -1.690 18980 221 1 . 1 1 48 48 ASP H H 48 7.560 7.560 7.909 -0.349 18980 222 1 . 1 1 49 49 CYS N N 49 122.910 122.910 119.259 3.651 18980 223 1 . 1 1 49 49 CYS HA H 49 3.682 3.682 4.484 -0.802 18980 224 1 . 1 1 49 49 CYS CA C 49 59.557 59.557 58.643 0.914 18980 225 1 . 1 1 49 49 CYS CB C 49 28.040 28.040 27.345 0.695 18980 226 1 . 1 1 49 49 CYS H H 49 7.091 7.091 7.709 -0.618 18980 227 1 . 1 1 50 50 THR N N 50 119.675 119.675 119.212 0.463 18980 228 1 . 1 1 50 50 THR HA H 50 4.293 4.293 4.279 0.014 18980 229 1 . 1 1 50 50 THR CA C 50 58.855 58.855 63.355 -4.500 18980 230 1 . 1 1 50 50 THR CB C 50 66.355 66.355 69.311 -2.956 18980 231 1 . 1 1 50 50 THR H H 50 8.139 8.139 8.393 -0.255 18980 232 1 . 1 1 51 51 GLU N N 51 124.935 124.935 121.564 3.370 18980 233 1 . 1 1 51 51 GLU HA H 51 4.164 4.164 4.462 -0.299 18980 234 1 . 1 1 51 51 GLU CA C 51 54.061 54.061 55.502 -1.441 18980 235 1 . 1 1 51 51 GLU CB C 51 27.130 27.130 31.135 -4.004 18980 236 1 . 1 1 51 51 GLU H H 51 8.551 8.551 8.067 0.484 18980 237 1 . 1 1 52 52 ARG N N 52 122.624 122.624 121.200 1.424 18980 238 1 . 1 1 52 52 ARG HA H 52 4.248 4.248 4.380 -0.132 18980 239 1 . 1 1 52 52 ARG CA C 52 53.402 53.402 56.045 -2.643 18980 240 1 . 1 1 52 52 ARG CB C 52 28.028 28.028 30.693 -2.665 18980 241 1 . 1 1 52 52 ARG H H 52 8.287 8.287 8.558 -0.271 18980 242 1 . 1 1 53 53 GLN N N 53 121.647 121.647 120.589 1.058 18980 243 1 . 1 1 53 53 GLN HA H 53 4.248 4.248 4.399 -0.151 18980 244 1 . 1 1 53 53 GLN CA C 53 52.946 52.946 55.789 -2.843 18980 245 1 . 1 1 53 53 GLN CB C 53 26.794 26.794 29.779 -2.985 18980 246 1 . 1 1 53 53 GLN H H 53 8.381 8.381 8.393 -0.013 18980 247 1 . 1 1 54 54 ALA N N 54 125.878 125.878 123.072 2.806 18980 248 1 . 1 1 54 54 ALA HA H 54 4.296 4.296 4.450 -0.154 18980 249 1 . 1 1 54 54 ALA CA C 54 49.575 49.575 52.260 -2.685 18980 250 1 . 1 1 54 54 ALA CB C 54 16.704 16.704 19.666 -2.962 18980 251 1 . 1 1 54 54 ALA H H 54 8.338 8.338 8.446 -0.108 18980 stop_ save_