data_18393 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18393 _Entry.PDB_ID 2LRS 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 18393 _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 ASP N N 16 119.381 119.381 122.084 -2.703 18393 2 1 1 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.505 -0.165 18393 3 1 1 . 1 1 2 2 ASP C C 16 178.935 178.935 178.309 0.626 18393 4 1 1 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.241 0.467 18393 5 1 1 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.632 0.049 18393 6 1 1 . 1 1 2 2 ASP H H 16 8.320 8.320 8.690 -0.369 18393 7 1 1 . 1 1 3 3 ILE N N 17 121.475 121.475 119.350 2.125 18393 8 1 1 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.833 -0.287 18393 9 1 1 . 1 1 3 3 ILE C C 17 177.116 177.116 178.004 -0.888 18393 10 1 1 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.388 0.845 18393 11 1 1 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.601 0.100 18393 12 1 1 . 1 1 3 3 ILE H H 17 7.793 7.793 8.195 -0.402 18393 13 1 1 . 1 1 4 4 CYS N N 18 117.506 117.506 118.897 -1.391 18393 14 1 1 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.326 -0.384 18393 15 1 1 . 1 1 4 4 CYS C C 18 176.671 176.671 176.728 -0.057 18393 16 1 1 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.069 2.555 18393 17 1 1 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.966 -1.001 18393 18 1 1 . 1 1 4 4 CYS H H 18 7.823 7.823 7.770 0.053 18393 19 1 1 . 1 1 5 5 LEU N N 19 118.832 118.832 122.819 -3.987 18393 20 1 1 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.115 -0.019 18393 21 1 1 . 1 1 5 5 LEU C C 19 180.698 180.698 179.277 1.421 18393 22 1 1 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.937 0.000 18393 23 1 1 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.893 0.173 18393 24 1 1 . 1 1 5 5 LEU H H 19 8.101 8.101 8.424 -0.323 18393 25 1 1 . 1 1 6 6 ARG N N 20 119.443 119.443 120.095 -0.652 18393 26 1 1 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.955 -0.021 18393 27 1 1 . 1 1 6 6 ARG C C 20 178.169 178.169 177.821 0.348 18393 28 1 1 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.773 0.102 18393 29 1 1 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.154 -0.174 18393 30 1 1 . 1 1 6 6 ARG H H 20 7.934 7.934 8.432 -0.498 18393 31 1 1 . 1 1 7 7 LYS N N 21 116.636 116.636 116.108 0.528 18393 32 1 1 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.857 -0.084 18393 33 1 1 . 1 1 7 7 LYS C C 21 175.224 175.224 175.288 -0.064 18393 34 1 1 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.379 -0.301 18393 35 1 1 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.738 -0.221 18393 36 1 1 . 1 1 7 7 LYS H H 21 7.553 7.553 7.405 0.148 18393 37 1 1 . 1 1 8 8 ASN N N 22 114.898 114.898 115.437 -0.539 18393 38 1 1 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.332 -0.030 18393 39 1 1 . 1 1 8 8 ASN C C 22 174.073 174.073 174.354 -0.281 18393 40 1 1 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.286 0.147 18393 41 1 1 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.164 -0.147 18393 42 1 1 . 1 1 8 8 ASN H H 22 7.640 7.640 7.495 0.145 18393 43 1 1 . 1 1 9 9 TRP N N 23 120.563 120.563 120.222 0.341 18393 44 1 1 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.161 0.080 18393 45 1 1 . 1 1 9 9 TRP C C 23 173.601 173.601 174.909 -1.308 18393 46 1 1 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.419 -2.599 18393 47 1 1 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.664 0.910 18393 48 1 1 . 1 1 9 9 TRP H H 23 8.692 8.692 8.082 0.610 18393 49 1 1 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.485 -0.026 18393 50 1 1 . 1 1 10 10 PRO C C 24 175.391 175.391 176.536 -1.145 18393 51 1 1 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.414 -0.316 18393 52 1 1 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.583 -1.001 18393 53 1 1 . 1 1 11 11 MET N N 25 116.562 116.562 117.738 -1.176 18393 54 1 1 . 1 1 11 11 MET HA H 25 4.751 4.751 4.797 -0.046 18393 55 1 1 . 1 1 11 11 MET C C 25 175.240 175.240 175.282 -0.042 18393 56 1 1 . 1 1 11 11 MET CA C 25 53.800 53.800 52.967 0.833 18393 57 1 1 . 1 1 11 11 MET CB C 25 30.695 30.695 31.025 -0.330 18393 58 1 1 . 1 1 11 11 MET H H 25 8.201 8.201 8.365 -0.164 18393 59 1 1 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.650 -0.326 18393 60 1 1 . 1 1 12 12 PRO C C 26 174.890 174.890 176.194 -1.304 18393 61 1 1 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.818 0.663 18393 62 1 1 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.657 0.068 18393 63 1 1 . 1 1 13 13 SER N N 27 116.608 116.608 115.174 1.434 18393 64 1 1 . 1 1 13 13 SER HA H 27 4.781 4.781 4.741 0.040 18393 65 1 1 . 1 1 13 13 SER C C 27 173.365 173.365 173.520 -0.155 18393 66 1 1 . 1 1 13 13 SER CA C 27 57.219 57.219 58.408 -1.190 18393 67 1 1 . 1 1 13 13 SER CB C 27 64.227 64.227 64.027 0.200 18393 68 1 1 . 1 1 13 13 SER H H 27 8.555 8.555 8.490 0.065 18393 69 1 1 . 1 1 14 14 TYR N N 28 125.256 125.256 123.469 1.787 18393 70 1 1 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.066 0.555 18393 71 1 1 . 1 1 14 14 TYR C C 28 176.175 176.175 174.273 1.902 18393 72 1 1 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.947 -0.383 18393 73 1 1 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.972 0.888 18393 74 1 1 . 1 1 14 14 TYR H H 28 8.939 8.939 8.629 0.310 18393 75 1 1 . 1 1 15 15 ARG N N 29 120.540 120.540 124.640 -4.100 18393 76 1 1 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.581 -0.039 18393 77 1 1 . 1 1 15 15 ARG C C 29 173.134 173.134 174.431 -1.297 18393 78 1 1 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.550 -0.730 18393 79 1 1 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.102 0.619 18393 80 1 1 . 1 1 15 15 ARG H H 29 9.159 9.159 9.188 -0.029 18393 81 1 1 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.571 -1.674 18393 82 1 1 . 1 1 16 16 CYS C C 30 174.180 174.180 175.816 -1.636 18393 83 1 1 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.148 -1.429 18393 84 1 1 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.509 -2.403 18393 85 1 1 . 1 1 17 17 VAL N N 31 132.259 132.259 121.633 10.626 18393 86 1 1 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.115 -0.464 18393 87 1 1 . 1 1 17 17 VAL C C 31 175.711 175.711 175.866 -0.155 18393 88 1 1 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.125 0.961 18393 89 1 1 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.266 0.246 18393 90 1 1 . 1 1 17 17 VAL H H 31 8.659 8.659 8.425 0.234 18393 91 1 1 . 1 1 18 18 LYS N N 32 118.630 118.630 121.665 -3.035 18393 92 1 1 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.544 -0.184 18393 93 1 1 . 1 1 18 18 LYS C C 32 173.015 173.015 174.340 -1.325 18393 94 1 1 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.942 0.460 18393 95 1 1 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.097 0.907 18393 96 1 1 . 1 1 18 18 LYS H H 32 7.673 7.673 8.111 -0.438 18393 97 1 1 . 1 1 19 19 GLU N N 33 125.800 125.800 127.125 -1.325 18393 98 1 1 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.754 0.099 18393 99 1 1 . 1 1 19 19 GLU C C 33 175.060 175.060 175.955 -0.895 18393 100 1 1 . 1 1 19 19 GLU CA C 33 54.564 54.564 56.069 -1.506 18393 101 1 1 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.565 -0.427 18393 102 1 1 . 1 1 19 19 GLU H H 33 8.431 8.431 8.658 -0.227 18393 103 1 1 . 1 1 20 20 GLY N N 34 111.079 111.079 113.781 -2.702 18393 104 1 1 . 1 1 20 20 GLY C C 34 172.318 172.318 172.632 -0.314 18393 105 1 1 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.370 -0.729 18393 106 1 1 . 1 1 20 20 GLY H H 34 8.345 8.345 8.552 -0.207 18393 107 1 1 . 1 1 21 21 GLY N N 35 107.395 107.395 106.688 0.707 18393 108 1 1 . 1 1 21 21 GLY C C 35 171.757 171.757 172.360 -0.603 18393 109 1 1 . 1 1 21 21 GLY CA C 35 43.737 43.737 45.048 -1.312 18393 110 1 1 . 1 1 21 21 GLY H H 35 8.184 8.184 8.044 0.140 18393 111 1 1 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.501 -0.025 18393 112 1 1 . 1 1 22 22 PRO C C 36 177.171 177.171 176.232 0.939 18393 113 1 1 . 1 1 22 22 PRO CA C 36 62.263 62.263 62.160 0.103 18393 114 1 1 . 1 1 22 22 PRO CB C 36 32.261 32.261 29.396 2.865 18393 115 1 1 . 1 1 23 23 ALA N N 37 120.595 120.595 123.333 -2.738 18393 116 1 1 . 1 1 23 23 ALA HA H 37 3.823 3.823 3.827 -0.004 18393 117 1 1 . 1 1 23 23 ALA C C 37 178.547 178.547 177.407 1.140 18393 118 1 1 . 1 1 23 23 ALA CA C 37 55.493 55.493 54.529 0.964 18393 119 1 1 . 1 1 23 23 ALA CB C 37 18.551 18.551 17.276 1.275 18393 120 1 1 . 1 1 23 23 ALA H H 37 8.580 8.580 8.532 0.048 18393 121 1 1 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.636 -0.021 18393 122 1 1 . 1 1 24 24 HIS C C 38 174.890 174.890 174.633 0.257 18393 123 1 1 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.421 -0.560 18393 124 1 1 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.348 1.012 18393 125 1 1 . 1 1 25 25 ALA N N 39 128.271 128.271 122.219 6.052 18393 126 1 1 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.522 -0.048 18393 127 1 1 . 1 1 25 25 ALA C C 39 174.351 174.351 176.389 -2.038 18393 128 1 1 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.371 -0.055 18393 129 1 1 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.445 -1.334 18393 130 1 1 . 1 1 25 25 ALA H H 39 7.697 7.697 7.787 -0.090 18393 131 1 1 . 1 1 26 26 LYS N N 40 121.927 121.927 119.712 2.215 18393 132 1 1 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.419 -0.301 18393 133 1 1 . 1 1 26 26 LYS C C 40 177.551 177.551 175.498 2.053 18393 134 1 1 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.130 2.014 18393 135 1 1 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.199 0.873 18393 136 1 1 . 1 1 26 26 LYS H H 40 7.990 7.990 8.305 -0.315 18393 137 1 1 . 1 1 27 27 ARG N N 41 119.572 119.572 117.719 1.853 18393 138 1 1 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.006 0.632 18393 139 1 1 . 1 1 27 27 ARG C C 41 174.770 174.770 175.920 -1.150 18393 140 1 1 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.347 -1.869 18393 141 1 1 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.643 2.747 18393 142 1 1 . 1 1 27 27 ARG H H 41 8.296 8.296 7.420 0.876 18393 143 1 1 . 1 1 28 28 PHE N N 42 120.381 120.381 123.564 -3.183 18393 144 1 1 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.093 -0.046 18393 145 1 1 . 1 1 28 28 PHE C C 42 174.407 174.407 175.806 -1.399 18393 146 1 1 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.256 1.770 18393 147 1 1 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.663 2.466 18393 148 1 1 . 1 1 28 28 PHE H H 42 9.339 9.339 8.864 0.475 18393 149 1 1 . 1 1 29 29 THR N N 43 117.999 117.999 119.141 -1.142 18393 150 1 1 . 1 1 29 29 THR HA H 43 4.704 4.704 4.786 -0.082 18393 151 1 1 . 1 1 29 29 THR C C 43 173.713 173.713 173.088 0.625 18393 152 1 1 . 1 1 29 29 THR CA C 43 62.117 62.117 61.789 0.328 18393 153 1 1 . 1 1 29 29 THR CB C 43 70.104 70.104 70.985 -0.881 18393 154 1 1 . 1 1 29 29 THR H H 43 8.949 8.949 9.227 -0.278 18393 155 1 1 . 1 1 30 30 PHE N N 44 129.592 129.592 126.457 3.135 18393 156 1 1 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.922 0.473 18393 157 1 1 . 1 1 30 30 PHE C C 44 173.221 173.221 172.806 0.415 18393 158 1 1 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.115 0.308 18393 159 1 1 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.593 1.323 18393 160 1 1 . 1 1 30 30 PHE H H 44 10.048 10.048 8.822 1.226 18393 161 1 1 . 1 1 31 31 GLY N N 45 105.921 105.921 109.575 -3.654 18393 162 1 1 . 1 1 31 31 GLY C C 45 172.774 172.774 171.925 0.849 18393 163 1 1 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.359 0.179 18393 164 1 1 . 1 1 31 31 GLY H H 45 9.290 9.290 7.929 1.361 18393 165 1 1 . 1 1 32 32 VAL N N 46 121.311 121.311 121.536 -0.225 18393 166 1 1 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.624 0.726 18393 167 1 1 . 1 1 32 32 VAL C C 46 171.140 171.140 174.897 -3.757 18393 168 1 1 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.261 -0.429 18393 169 1 1 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.133 2.253 18393 170 1 1 . 1 1 32 32 VAL H H 46 8.906 8.906 8.025 0.881 18393 171 1 1 . 1 1 33 33 ARG N N 47 122.102 122.102 120.261 1.841 18393 172 1 1 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.100 -0.529 18393 173 1 1 . 1 1 33 33 ARG C C 47 173.683 173.683 174.320 -0.637 18393 174 1 1 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.617 0.341 18393 175 1 1 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.783 1.933 18393 176 1 1 . 1 1 33 33 ARG H H 47 8.008 8.008 7.837 0.171 18393 177 1 1 . 1 1 34 34 VAL N N 48 117.391 117.391 119.896 -2.505 18393 178 1 1 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.529 0.258 18393 179 1 1 . 1 1 34 34 VAL C C 48 172.777 172.777 173.326 -0.549 18393 180 1 1 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.418 -0.448 18393 181 1 1 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.191 0.121 18393 182 1 1 . 1 1 34 34 VAL H H 48 8.103 8.103 9.023 -0.920 18393 183 1 1 . 1 1 35 35 ASN N N 49 127.065 127.065 121.089 5.976 18393 184 1 1 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.341 -0.805 18393 185 1 1 . 1 1 35 35 ASN C C 49 174.221 174.221 174.171 0.050 18393 186 1 1 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.110 -0.503 18393 187 1 1 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.561 -2.819 18393 188 1 1 . 1 1 35 35 ASN H H 49 8.543 8.543 8.648 -0.105 18393 189 1 1 . 1 1 36 36 THR N N 50 114.402 114.402 116.107 -1.705 18393 190 1 1 . 1 1 36 36 THR HA H 50 2.159 2.159 2.975 -0.816 18393 191 1 1 . 1 1 36 36 THR C C 50 175.168 175.168 175.525 -0.357 18393 192 1 1 . 1 1 36 36 THR CA C 50 61.126 61.126 61.486 -0.360 18393 193 1 1 . 1 1 36 36 THR CB C 50 69.987 69.987 68.584 1.403 18393 194 1 1 . 1 1 36 36 THR H H 50 6.801 6.801 7.762 -0.961 18393 195 1 1 . 1 1 37 37 SER N N 51 114.587 114.587 120.622 -6.035 18393 196 1 1 . 1 1 37 37 SER HA H 51 4.105 4.105 3.991 0.114 18393 197 1 1 . 1 1 37 37 SER C C 51 174.760 174.760 175.161 -0.401 18393 198 1 1 . 1 1 37 37 SER CA C 51 59.958 59.958 61.565 -1.607 18393 199 1 1 . 1 1 37 37 SER CB C 51 63.115 63.115 63.216 -0.101 18393 200 1 1 . 1 1 37 37 SER H H 51 6.797 6.797 8.464 -1.667 18393 201 1 1 . 1 1 38 38 ASP N N 52 117.329 117.329 117.976 -0.647 18393 202 1 1 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.510 0.079 18393 203 1 1 . 1 1 38 38 ASP C C 52 177.236 177.236 176.980 0.256 18393 204 1 1 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.801 -0.251 18393 205 1 1 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.957 -0.351 18393 206 1 1 . 1 1 38 38 ASP H H 52 8.784 8.784 8.223 0.561 18393 207 1 1 . 1 1 39 39 ARG N N 53 118.330 118.330 119.402 -1.072 18393 208 1 1 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.598 -0.102 18393 209 1 1 . 1 1 39 39 ARG C C 53 176.062 176.062 175.750 0.312 18393 210 1 1 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.934 -0.884 18393 211 1 1 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.589 -2.148 18393 212 1 1 . 1 1 39 39 ARG H H 53 7.666 7.666 8.181 -0.515 18393 213 1 1 . 1 1 40 40 GLY N N 54 110.510 110.510 106.903 3.607 18393 214 1 1 . 1 1 40 40 GLY C C 54 177.680 177.680 172.736 4.944 18393 215 1 1 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.367 0.309 18393 216 1 1 . 1 1 40 40 GLY H H 54 7.248 7.248 7.994 -0.746 18393 217 1 1 . 1 1 41 41 TRP N N 55 123.328 123.328 123.230 0.098 18393 218 1 1 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.846 0.073 18393 219 1 1 . 1 1 41 41 TRP C C 55 178.873 178.873 177.648 1.225 18393 220 1 1 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.482 0.635 18393 221 1 1 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.405 0.369 18393 222 1 1 . 1 1 41 41 TRP H H 55 8.289 8.289 8.260 0.029 18393 223 1 1 . 1 1 42 42 THR N N 56 114.627 114.627 119.101 -4.474 18393 224 1 1 . 1 1 42 42 THR HA H 56 4.329 4.329 4.308 0.021 18393 225 1 1 . 1 1 42 42 THR C C 56 175.261 175.261 174.757 0.504 18393 226 1 1 . 1 1 42 42 THR CA C 56 61.698 61.698 61.477 0.221 18393 227 1 1 . 1 1 42 42 THR CB C 56 72.359 72.359 69.677 2.682 18393 228 1 1 . 1 1 42 42 THR H H 56 8.972 8.972 8.634 0.338 18393 229 1 1 . 1 1 43 43 ASP N N 57 120.151 120.151 121.359 -1.208 18393 230 1 1 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.448 -0.003 18393 231 1 1 . 1 1 43 43 ASP C C 57 175.710 175.710 176.533 -0.823 18393 232 1 1 . 1 1 43 43 ASP CA C 57 55.377 55.377 55.209 0.168 18393 233 1 1 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.180 -0.308 18393 234 1 1 . 1 1 43 43 ASP H H 57 8.379 8.379 8.380 -0.001 18393 235 1 1 . 1 1 44 44 GLU N N 58 122.449 122.449 123.634 -1.185 18393 236 1 1 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.573 -0.108 18393 237 1 1 . 1 1 44 44 GLU C C 58 176.412 176.412 176.797 -0.385 18393 238 1 1 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.838 -1.367 18393 239 1 1 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.966 1.092 18393 240 1 1 . 1 1 44 44 GLU H H 58 8.581 8.581 8.581 0.000 18393 241 1 1 . 1 1 45 45 CYS N N 59 126.725 126.725 128.000 -1.275 18393 242 1 1 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.497 0.198 18393 243 1 1 . 1 1 45 45 CYS C C 59 173.364 173.364 174.106 -0.742 18393 244 1 1 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.819 1.101 18393 245 1 1 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.187 3.497 18393 246 1 1 . 1 1 45 45 CYS H H 59 8.671 8.671 8.969 -0.298 18393 247 1 1 . 1 1 46 46 ILE N N 60 126.614 126.614 126.854 -0.240 18393 248 1 1 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.339 0.354 18393 249 1 1 . 1 1 46 46 ILE C C 60 176.175 176.175 177.075 -0.900 18393 250 1 1 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.055 -0.279 18393 251 1 1 . 1 1 46 46 ILE CB C 60 38.346 38.346 38.198 0.148 18393 252 1 1 . 1 1 46 46 ILE H H 60 8.735 8.735 7.949 0.786 18393 253 1 1 . 1 1 47 47 GLY N N 61 112.366 112.366 115.924 -3.558 18393 254 1 1 . 1 1 47 47 GLY C C 61 171.844 171.844 173.415 -1.571 18393 255 1 1 . 1 1 47 47 GLY CA C 61 44.283 44.283 43.544 0.739 18393 256 1 1 . 1 1 47 47 GLY H H 61 8.610 8.610 8.775 -0.165 18393 257 1 1 . 1 1 48 48 GLU N N 62 115.030 115.030 119.580 -4.550 18393 258 1 1 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.599 -0.054 18393 259 1 1 . 1 1 48 48 GLU C C 62 174.927 174.927 174.670 0.257 18393 260 1 1 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.349 0.533 18393 261 1 1 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.962 0.387 18393 262 1 1 . 1 1 48 48 GLU H H 62 8.214 8.214 8.451 -0.237 18393 263 1 1 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.372 0.492 18393 264 1 1 . 1 1 49 49 PRO C C 63 178.286 178.286 175.947 2.339 18393 265 1 1 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.496 -1.236 18393 266 1 1 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.445 -0.178 18393 267 1 1 . 1 1 50 50 MET N N 64 123.505 123.505 124.446 -0.941 18393 268 1 1 . 1 1 50 50 MET HA H 64 5.530 5.530 4.910 0.620 18393 269 1 1 . 1 1 50 50 MET C C 64 176.337 176.337 175.247 1.090 18393 270 1 1 . 1 1 50 50 MET CA C 64 51.674 51.674 51.541 0.133 18393 271 1 1 . 1 1 50 50 MET CB C 64 37.597 37.597 33.538 4.059 18393 272 1 1 . 1 1 50 50 MET H H 64 9.267 9.267 8.897 0.370 18393 273 1 1 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.316 0.770 18393 274 1 1 . 1 1 51 51 PRO C C 65 174.862 174.862 175.414 -0.552 18393 275 1 1 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.103 0.563 18393 276 1 1 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.816 0.711 18393 277 1 1 . 1 1 52 52 SER N N 66 109.598 109.598 113.187 -3.589 18393 278 1 1 . 1 1 52 52 SER HA H 66 4.813 4.813 5.027 -0.214 18393 279 1 1 . 1 1 52 52 SER C C 66 173.368 173.368 174.573 -1.205 18393 280 1 1 . 1 1 52 52 SER CA C 66 55.463 55.463 56.893 -1.430 18393 281 1 1 . 1 1 52 52 SER CB C 66 66.775 66.775 66.839 -0.064 18393 282 1 1 . 1 1 52 52 SER H H 66 7.165 7.165 7.415 -0.250 18393 283 1 1 . 1 1 53 53 VAL N N 67 124.347 124.347 121.607 2.740 18393 284 1 1 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.913 -1.083 18393 285 1 1 . 1 1 53 53 VAL C C 67 177.116 177.116 176.922 0.194 18393 286 1 1 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.309 1.520 18393 287 1 1 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.554 -0.230 18393 288 1 1 . 1 1 53 53 VAL H H 67 8.522 8.522 8.870 -0.348 18393 289 1 1 . 1 1 54 54 LYS N N 68 118.639 118.639 119.859 -1.220 18393 290 1 1 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.127 -0.658 18393 291 1 1 . 1 1 54 54 LYS C C 68 178.286 178.286 178.865 -0.579 18393 292 1 1 . 1 1 54 54 LYS CA C 68 60.350 60.350 58.959 1.391 18393 293 1 1 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.570 0.794 18393 294 1 1 . 1 1 54 54 LYS H H 68 8.098 8.098 8.649 -0.551 18393 295 1 1 . 1 1 55 55 LYS N N 69 115.388 115.388 119.635 -4.247 18393 296 1 1 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.165 -0.071 18393 297 1 1 . 1 1 55 55 LYS C C 69 179.694 179.694 178.905 0.789 18393 298 1 1 . 1 1 55 55 LYS CA C 69 58.828 58.828 59.106 -0.278 18393 299 1 1 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.208 0.631 18393 300 1 1 . 1 1 55 55 LYS H H 69 7.499 7.499 7.494 0.005 18393 301 1 1 . 1 1 56 56 ALA N N 70 124.226 124.226 124.238 -0.012 18393 302 1 1 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.185 -0.036 18393 303 1 1 . 1 1 56 56 ALA C C 70 181.217 181.217 179.436 1.781 18393 304 1 1 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.391 0.325 18393 305 1 1 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.518 1.992 18393 306 1 1 . 1 1 56 56 ALA H H 70 8.296 8.296 8.110 0.186 18393 307 1 1 . 1 1 57 57 LYS N N 71 120.522 120.522 118.244 2.278 18393 308 1 1 . 1 1 57 57 LYS HA H 71 3.643 3.643 3.763 -0.119 18393 309 1 1 . 1 1 57 57 LYS C C 71 177.937 177.937 178.939 -1.002 18393 310 1 1 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.177 0.910 18393 311 1 1 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.009 0.119 18393 312 1 1 . 1 1 57 57 LYS H H 71 8.385 8.385 7.488 0.897 18393 313 1 1 . 1 1 58 58 ASP N N 72 119.428 119.428 118.709 0.719 18393 314 1 1 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.495 -0.189 18393 315 1 1 . 1 1 58 58 ASP C C 72 177.042 177.042 178.805 -1.763 18393 316 1 1 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.258 0.882 18393 317 1 1 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.811 -0.686 18393 318 1 1 . 1 1 58 58 ASP H H 72 8.029 8.029 7.874 0.155 18393 319 1 1 . 1 1 59 59 SER N N 73 111.435 111.435 115.807 -4.372 18393 320 1 1 . 1 1 59 59 SER HA H 73 4.243 4.243 4.270 -0.027 18393 321 1 1 . 1 1 59 59 SER C C 73 177.000 177.000 176.620 0.380 18393 322 1 1 . 1 1 59 59 SER CA C 73 63.579 63.579 61.901 1.678 18393 323 1 1 . 1 1 59 59 SER CB C 73 60.947 60.947 63.200 -2.253 18393 324 1 1 . 1 1 59 59 SER H H 73 7.785 7.785 8.112 -0.327 18393 325 1 1 . 1 1 60 60 ALA N N 74 120.363 120.363 124.128 -3.765 18393 326 1 1 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.071 -0.108 18393 327 1 1 . 1 1 60 60 ALA C C 74 178.170 178.170 179.132 -0.962 18393 328 1 1 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.757 0.741 18393 329 1 1 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.279 -0.368 18393 330 1 1 . 1 1 60 60 ALA H H 74 7.472 7.472 7.746 -0.274 18393 331 1 1 . 1 1 61 61 ALA N N 75 118.116 118.116 121.360 -3.244 18393 332 1 1 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.123 -0.175 18393 333 1 1 . 1 1 61 61 ALA C C 75 179.341 179.341 179.543 -0.202 18393 334 1 1 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.208 0.452 18393 335 1 1 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.432 0.510 18393 336 1 1 . 1 1 61 61 ALA H H 75 8.653 8.653 8.565 0.088 18393 337 1 1 . 1 1 62 62 VAL N N 76 115.858 115.858 117.333 -1.475 18393 338 1 1 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.797 -0.141 18393 339 1 1 . 1 1 62 62 VAL C C 76 178.051 178.051 177.886 0.165 18393 340 1 1 . 1 1 62 62 VAL CA C 76 66.651 66.651 65.962 0.689 18393 341 1 1 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.131 0.716 18393 342 1 1 . 1 1 62 62 VAL H H 76 8.124 8.124 7.762 0.362 18393 343 1 1 . 1 1 63 63 LEU N N 77 119.881 119.881 118.952 0.929 18393 344 1 1 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.090 0.099 18393 345 1 1 . 1 1 63 63 LEU C C 77 179.692 179.692 179.156 0.536 18393 346 1 1 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.186 0.398 18393 347 1 1 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.596 0.320 18393 348 1 1 . 1 1 63 63 LEU H H 77 7.038 7.038 7.424 -0.386 18393 349 1 1 . 1 1 64 64 LEU N N 78 122.083 122.083 121.601 0.482 18393 350 1 1 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.139 0.389 18393 351 1 1 . 1 1 64 64 LEU C C 78 178.601 178.601 178.463 0.138 18393 352 1 1 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.733 -0.276 18393 353 1 1 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.082 -0.828 18393 354 1 1 . 1 1 64 64 LEU H H 78 7.694 7.694 7.883 -0.189 18393 355 1 1 . 1 1 65 65 LEU N N 79 120.548 120.548 117.240 3.308 18393 356 1 1 . 1 1 65 65 LEU HA H 79 3.864 3.864 3.984 -0.120 18393 357 1 1 . 1 1 65 65 LEU C C 79 178.861 178.861 179.126 -0.265 18393 358 1 1 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.776 0.701 18393 359 1 1 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.174 0.444 18393 360 1 1 . 1 1 65 65 LEU H H 79 8.671 8.671 8.207 0.464 18393 361 1 1 . 1 1 66 66 GLU N N 80 117.398 117.398 118.801 -1.403 18393 362 1 1 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.078 -0.019 18393 363 1 1 . 1 1 66 66 GLU C C 80 178.957 178.957 179.052 -0.095 18393 364 1 1 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.913 0.422 18393 365 1 1 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.402 -0.021 18393 366 1 1 . 1 1 66 66 GLU H H 80 7.613 7.613 7.445 0.168 18393 367 1 1 . 1 1 67 67 LEU N N 81 120.633 120.633 121.435 -0.802 18393 368 1 1 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.091 0.069 18393 369 1 1 . 1 1 67 67 LEU C C 81 180.162 180.162 179.320 0.842 18393 370 1 1 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.869 0.244 18393 371 1 1 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.285 -0.228 18393 372 1 1 . 1 1 67 67 LEU H H 81 7.656 7.656 7.462 0.194 18393 373 1 1 . 1 1 68 68 LEU N N 82 118.949 118.949 119.178 -0.229 18393 374 1 1 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.245 -0.082 18393 375 1 1 . 1 1 68 68 LEU C C 82 178.289 178.289 178.734 -0.445 18393 376 1 1 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.150 0.705 18393 377 1 1 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.170 0.848 18393 378 1 1 . 1 1 68 68 LEU H H 82 8.583 8.583 8.691 -0.108 18393 379 1 1 . 1 1 69 69 ASN N N 83 116.570 116.570 117.668 -1.098 18393 380 1 1 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.713 0.016 18393 381 1 1 . 1 1 69 69 ASN C C 83 174.784 174.784 175.247 -0.463 18393 382 1 1 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.825 -0.086 18393 383 1 1 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.731 0.417 18393 384 1 1 . 1 1 69 69 ASN H H 83 7.920 7.920 7.934 -0.014 18393 385 1 1 . 1 1 70 70 LYS N N 84 120.363 120.363 120.464 -0.101 18393 386 1 1 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.587 -0.183 18393 387 1 1 . 1 1 70 70 LYS C C 84 175.910 175.910 175.206 0.704 18393 388 1 1 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.329 1.507 18393 389 1 1 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.454 0.545 18393 390 1 1 . 1 1 70 70 LYS H H 84 7.593 7.593 7.580 0.013 18393 391 1 2 . 1 1 2 2 ASP N N 16 119.381 119.381 121.789 -2.408 18393 392 1 2 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.436 -0.096 18393 393 1 2 . 1 1 2 2 ASP C C 16 178.935 178.935 177.741 1.194 18393 394 1 2 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.444 0.264 18393 395 1 2 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.772 -0.091 18393 396 1 2 . 1 1 2 2 ASP H H 16 8.320 8.320 8.736 -0.416 18393 397 1 2 . 1 1 3 3 ILE N N 17 121.475 121.475 120.798 0.677 18393 398 1 2 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.828 -0.282 18393 399 1 2 . 1 1 3 3 ILE C C 17 177.116 177.116 178.115 -0.999 18393 400 1 2 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.268 0.965 18393 401 1 2 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.476 0.225 18393 402 1 2 . 1 1 3 3 ILE H H 17 7.793 7.793 7.975 -0.182 18393 403 1 2 . 1 1 4 4 CYS N N 18 117.506 117.506 118.383 -0.877 18393 404 1 2 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.399 -0.457 18393 405 1 2 . 1 1 4 4 CYS C C 18 176.671 176.671 177.156 -0.485 18393 406 1 2 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.850 1.774 18393 407 1 2 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.796 -0.831 18393 408 1 2 . 1 1 4 4 CYS H H 18 7.823 7.823 8.092 -0.269 18393 409 1 2 . 1 1 5 5 LEU N N 19 118.832 118.832 122.687 -3.855 18393 410 1 2 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.153 -0.057 18393 411 1 2 . 1 1 5 5 LEU C C 19 180.698 180.698 179.359 1.339 18393 412 1 2 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.952 -0.015 18393 413 1 2 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.928 0.138 18393 414 1 2 . 1 1 5 5 LEU H H 19 8.101 8.101 8.605 -0.504 18393 415 1 2 . 1 1 6 6 ARG N N 20 119.443 119.443 119.886 -0.443 18393 416 1 2 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.986 -0.052 18393 417 1 2 . 1 1 6 6 ARG C C 20 178.169 178.169 177.747 0.422 18393 418 1 2 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.664 0.211 18393 419 1 2 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.174 -0.194 18393 420 1 2 . 1 1 6 6 ARG H H 20 7.934 7.934 8.445 -0.511 18393 421 1 2 . 1 1 7 7 LYS N N 21 116.636 116.636 116.395 0.241 18393 422 1 2 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.889 -0.116 18393 423 1 2 . 1 1 7 7 LYS C C 21 175.224 175.224 175.594 -0.370 18393 424 1 2 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.074 0.004 18393 425 1 2 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.596 -0.079 18393 426 1 2 . 1 1 7 7 LYS H H 21 7.553 7.553 7.301 0.252 18393 427 1 2 . 1 1 8 8 ASN N N 22 114.898 114.898 114.315 0.583 18393 428 1 2 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.399 -0.097 18393 429 1 2 . 1 1 8 8 ASN C C 22 174.073 174.073 174.616 -0.543 18393 430 1 2 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.045 0.388 18393 431 1 2 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.728 -0.711 18393 432 1 2 . 1 1 8 8 ASN H H 22 7.640 7.640 7.765 -0.125 18393 433 1 2 . 1 1 9 9 TRP N N 23 120.563 120.563 119.880 0.683 18393 434 1 2 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.129 0.112 18393 435 1 2 . 1 1 9 9 TRP C C 23 173.601 173.601 175.109 -1.508 18393 436 1 2 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.273 -2.453 18393 437 1 2 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.261 1.313 18393 438 1 2 . 1 1 9 9 TRP H H 23 8.692 8.692 7.779 0.913 18393 439 1 2 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.523 -0.064 18393 440 1 2 . 1 1 10 10 PRO C C 24 175.391 175.391 176.735 -1.344 18393 441 1 2 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.338 -0.240 18393 442 1 2 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.665 -1.083 18393 443 1 2 . 1 1 11 11 MET N N 25 116.562 116.562 117.555 -0.993 18393 444 1 2 . 1 1 11 11 MET HA H 25 4.751 4.751 4.777 -0.026 18393 445 1 2 . 1 1 11 11 MET C C 25 175.240 175.240 174.782 0.458 18393 446 1 2 . 1 1 11 11 MET CA C 25 53.800 53.800 53.244 0.556 18393 447 1 2 . 1 1 11 11 MET CB C 25 30.695 30.695 30.873 -0.178 18393 448 1 2 . 1 1 11 11 MET H H 25 8.201 8.201 8.504 -0.303 18393 449 1 2 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.883 -0.559 18393 450 1 2 . 1 1 12 12 PRO C C 26 174.890 174.890 176.134 -1.244 18393 451 1 2 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.795 0.685 18393 452 1 2 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.753 -0.028 18393 453 1 2 . 1 1 13 13 SER N N 27 116.608 116.608 116.116 0.492 18393 454 1 2 . 1 1 13 13 SER HA H 27 4.781 4.781 4.785 -0.004 18393 455 1 2 . 1 1 13 13 SER C C 27 173.365 173.365 173.353 0.012 18393 456 1 2 . 1 1 13 13 SER CA C 27 57.219 57.219 57.907 -0.688 18393 457 1 2 . 1 1 13 13 SER CB C 27 64.227 64.227 64.314 -0.087 18393 458 1 2 . 1 1 13 13 SER H H 27 8.555 8.555 8.568 -0.012 18393 459 1 2 . 1 1 14 14 TYR N N 28 125.256 125.256 123.518 1.738 18393 460 1 2 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.076 0.545 18393 461 1 2 . 1 1 14 14 TYR C C 28 176.175 176.175 174.893 1.282 18393 462 1 2 . 1 1 14 14 TYR CA C 28 57.563 57.563 58.024 -0.461 18393 463 1 2 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.816 1.045 18393 464 1 2 . 1 1 14 14 TYR H H 28 8.939 8.939 8.620 0.319 18393 465 1 2 . 1 1 15 15 ARG N N 29 120.540 120.540 126.425 -5.885 18393 466 1 2 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.605 -0.063 18393 467 1 2 . 1 1 15 15 ARG C C 29 173.134 173.134 174.852 -1.718 18393 468 1 2 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.763 -0.943 18393 469 1 2 . 1 1 15 15 ARG CB C 29 34.721 34.721 32.895 1.826 18393 470 1 2 . 1 1 15 15 ARG H H 29 9.159 9.159 9.488 -0.329 18393 471 1 2 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.675 -1.778 18393 472 1 2 . 1 1 16 16 CYS C C 30 174.180 174.180 175.792 -1.612 18393 473 1 2 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.645 -1.926 18393 474 1 2 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.515 -2.409 18393 475 1 2 . 1 1 17 17 VAL N N 31 132.259 132.259 121.736 10.523 18393 476 1 2 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.135 -0.484 18393 477 1 2 . 1 1 17 17 VAL C C 31 175.711 175.711 175.450 0.261 18393 478 1 2 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.244 0.842 18393 479 1 2 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.357 0.155 18393 480 1 2 . 1 1 17 17 VAL H H 31 8.659 8.659 8.598 0.061 18393 481 1 2 . 1 1 18 18 LYS N N 32 118.630 118.630 121.598 -2.968 18393 482 1 2 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.552 -0.192 18393 483 1 2 . 1 1 18 18 LYS C C 32 173.015 173.015 174.423 -1.408 18393 484 1 2 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.916 0.486 18393 485 1 2 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.026 0.978 18393 486 1 2 . 1 1 18 18 LYS H H 32 7.673 7.673 8.175 -0.502 18393 487 1 2 . 1 1 19 19 GLU N N 33 125.800 125.800 126.629 -0.829 18393 488 1 2 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.742 0.111 18393 489 1 2 . 1 1 19 19 GLU C C 33 175.060 175.060 175.760 -0.700 18393 490 1 2 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.961 -1.397 18393 491 1 2 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.826 -0.689 18393 492 1 2 . 1 1 19 19 GLU H H 33 8.431 8.431 8.615 -0.184 18393 493 1 2 . 1 1 20 20 GLY N N 34 111.079 111.079 112.931 -1.852 18393 494 1 2 . 1 1 20 20 GLY C C 34 172.318 172.318 172.859 -0.541 18393 495 1 2 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.133 -0.492 18393 496 1 2 . 1 1 20 20 GLY H H 34 8.345 8.345 8.676 -0.331 18393 497 1 2 . 1 1 21 21 GLY N N 35 107.395 107.395 107.399 -0.004 18393 498 1 2 . 1 1 21 21 GLY C C 35 171.757 171.757 172.655 -0.898 18393 499 1 2 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.877 -1.139 18393 500 1 2 . 1 1 21 21 GLY H H 35 8.184 8.184 7.898 0.286 18393 501 1 2 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.359 0.117 18393 502 1 2 . 1 1 22 22 PRO C C 36 177.171 177.171 176.343 0.828 18393 503 1 2 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.181 -1.918 18393 504 1 2 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.227 0.034 18393 505 1 2 . 1 1 23 23 ALA N N 37 120.595 120.595 115.458 5.137 18393 506 1 2 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.294 -0.471 18393 507 1 2 . 1 1 23 23 ALA C C 37 178.547 178.547 177.962 0.585 18393 508 1 2 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.247 3.246 18393 509 1 2 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.829 -0.278 18393 510 1 2 . 1 1 23 23 ALA H H 37 8.580 8.580 7.631 0.949 18393 511 1 2 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.495 0.120 18393 512 1 2 . 1 1 24 24 HIS C C 38 174.890 174.890 174.711 0.179 18393 513 1 2 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.069 -1.208 18393 514 1 2 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.458 0.902 18393 515 1 2 . 1 1 25 25 ALA N N 39 128.271 128.271 122.081 6.190 18393 516 1 2 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.427 0.047 18393 517 1 2 . 1 1 25 25 ALA C C 39 174.351 174.351 176.628 -2.277 18393 518 1 2 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.321 -0.005 18393 519 1 2 . 1 1 25 25 ALA CB C 39 18.111 18.111 18.931 -0.820 18393 520 1 2 . 1 1 25 25 ALA H H 39 7.697 7.697 7.605 0.092 18393 521 1 2 . 1 1 26 26 LYS N N 40 121.927 121.927 119.094 2.833 18393 522 1 2 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.332 -0.214 18393 523 1 2 . 1 1 26 26 LYS C C 40 177.551 177.551 175.317 2.234 18393 524 1 2 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.053 2.091 18393 525 1 2 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.225 0.847 18393 526 1 2 . 1 1 26 26 LYS H H 40 7.990 7.990 7.472 0.518 18393 527 1 2 . 1 1 27 27 ARG N N 41 119.572 119.572 118.560 1.012 18393 528 1 2 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.142 0.496 18393 529 1 2 . 1 1 27 27 ARG C C 41 174.770 174.770 176.062 -1.292 18393 530 1 2 . 1 1 27 27 ARG CA C 41 53.478 53.478 54.291 -0.813 18393 531 1 2 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.064 3.326 18393 532 1 2 . 1 1 27 27 ARG H H 41 8.296 8.296 7.489 0.807 18393 533 1 2 . 1 1 28 28 PHE N N 42 120.381 120.381 123.400 -3.019 18393 534 1 2 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.015 0.032 18393 535 1 2 . 1 1 28 28 PHE C C 42 174.407 174.407 175.891 -1.484 18393 536 1 2 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.921 1.105 18393 537 1 2 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.952 2.177 18393 538 1 2 . 1 1 28 28 PHE H H 42 9.339 9.339 8.888 0.451 18393 539 1 2 . 1 1 29 29 THR N N 43 117.999 117.999 119.069 -1.070 18393 540 1 2 . 1 1 29 29 THR HA H 43 4.704 4.704 4.808 -0.104 18393 541 1 2 . 1 1 29 29 THR C C 43 173.713 173.713 172.675 1.038 18393 542 1 2 . 1 1 29 29 THR CA C 43 62.117 62.117 61.573 0.544 18393 543 1 2 . 1 1 29 29 THR CB C 43 70.104 70.104 70.852 -0.748 18393 544 1 2 . 1 1 29 29 THR H H 43 8.949 8.949 8.929 0.020 18393 545 1 2 . 1 1 30 30 PHE N N 44 129.592 129.592 126.232 3.360 18393 546 1 2 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.933 0.462 18393 547 1 2 . 1 1 30 30 PHE C C 44 173.221 173.221 172.696 0.525 18393 548 1 2 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.327 0.096 18393 549 1 2 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.423 1.494 18393 550 1 2 . 1 1 30 30 PHE H H 44 10.048 10.048 8.799 1.249 18393 551 1 2 . 1 1 31 31 GLY N N 45 105.921 105.921 109.255 -3.334 18393 552 1 2 . 1 1 31 31 GLY C C 45 172.774 172.774 171.698 1.076 18393 553 1 2 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.356 0.182 18393 554 1 2 . 1 1 31 31 GLY H H 45 9.290 9.290 7.782 1.508 18393 555 1 2 . 1 1 32 32 VAL N N 46 121.311 121.311 121.186 0.125 18393 556 1 2 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.681 0.669 18393 557 1 2 . 1 1 32 32 VAL C C 46 171.140 171.140 174.980 -3.840 18393 558 1 2 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.648 -0.816 18393 559 1 2 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.251 2.136 18393 560 1 2 . 1 1 32 32 VAL H H 46 8.906 8.906 7.540 1.366 18393 561 1 2 . 1 1 33 33 ARG N N 47 122.102 122.102 120.715 1.387 18393 562 1 2 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.283 -0.712 18393 563 1 2 . 1 1 33 33 ARG C C 47 173.683 173.683 174.701 -1.018 18393 564 1 2 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.280 0.678 18393 565 1 2 . 1 1 33 33 ARG CB C 47 35.716 35.716 34.072 1.644 18393 566 1 2 . 1 1 33 33 ARG H H 47 8.008 8.008 7.934 0.074 18393 567 1 2 . 1 1 34 34 VAL N N 48 117.391 117.391 119.838 -2.447 18393 568 1 2 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.394 0.393 18393 569 1 2 . 1 1 34 34 VAL C C 48 172.777 172.777 173.376 -0.599 18393 570 1 2 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.404 -0.434 18393 571 1 2 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.051 0.261 18393 572 1 2 . 1 1 34 34 VAL H H 48 8.103 8.103 9.131 -1.028 18393 573 1 2 . 1 1 35 35 ASN N N 49 127.065 127.065 122.270 4.795 18393 574 1 2 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.112 -0.576 18393 575 1 2 . 1 1 35 35 ASN C C 49 174.221 174.221 174.121 0.100 18393 576 1 2 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.707 -1.100 18393 577 1 2 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.784 -3.042 18393 578 1 2 . 1 1 35 35 ASN H H 49 8.543 8.543 8.480 0.063 18393 579 1 2 . 1 1 36 36 THR N N 50 114.402 114.402 115.088 -0.686 18393 580 1 2 . 1 1 36 36 THR HA H 50 2.159 2.159 3.040 -0.881 18393 581 1 2 . 1 1 36 36 THR C C 50 175.168 175.168 175.737 -0.569 18393 582 1 2 . 1 1 36 36 THR CA C 50 61.126 61.126 61.362 -0.236 18393 583 1 2 . 1 1 36 36 THR CB C 50 69.987 69.987 68.733 1.254 18393 584 1 2 . 1 1 36 36 THR H H 50 6.801 6.801 7.726 -0.925 18393 585 1 2 . 1 1 37 37 SER N N 51 114.587 114.587 120.427 -5.840 18393 586 1 2 . 1 1 37 37 SER HA H 51 4.105 4.105 4.032 0.073 18393 587 1 2 . 1 1 37 37 SER C C 51 174.760 174.760 174.961 -0.201 18393 588 1 2 . 1 1 37 37 SER CA C 51 59.958 59.958 60.996 -1.038 18393 589 1 2 . 1 1 37 37 SER CB C 51 63.115 63.115 63.239 -0.124 18393 590 1 2 . 1 1 37 37 SER H H 51 6.797 6.797 8.404 -1.607 18393 591 1 2 . 1 1 38 38 ASP N N 52 117.329 117.329 118.814 -1.485 18393 592 1 2 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.616 -0.027 18393 593 1 2 . 1 1 38 38 ASP C C 52 177.236 177.236 176.596 0.640 18393 594 1 2 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.580 -0.030 18393 595 1 2 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.877 -0.271 18393 596 1 2 . 1 1 38 38 ASP H H 52 8.784 8.784 8.107 0.677 18393 597 1 2 . 1 1 39 39 ARG N N 53 118.330 118.330 118.762 -0.432 18393 598 1 2 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.480 0.016 18393 599 1 2 . 1 1 39 39 ARG C C 53 176.062 176.062 176.199 -0.137 18393 600 1 2 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.049 -0.999 18393 601 1 2 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.561 -2.120 18393 602 1 2 . 1 1 39 39 ARG H H 53 7.666 7.666 8.037 -0.371 18393 603 1 2 . 1 1 40 40 GLY N N 54 110.510 110.510 107.311 3.199 18393 604 1 2 . 1 1 40 40 GLY C C 54 177.680 177.680 172.458 5.222 18393 605 1 2 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.165 0.512 18393 606 1 2 . 1 1 40 40 GLY H H 54 7.248 7.248 7.893 -0.645 18393 607 1 2 . 1 1 41 41 TRP N N 55 123.328 123.328 122.893 0.435 18393 608 1 2 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.806 0.113 18393 609 1 2 . 1 1 41 41 TRP C C 55 178.873 178.873 177.355 1.518 18393 610 1 2 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.668 0.449 18393 611 1 2 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.462 0.312 18393 612 1 2 . 1 1 41 41 TRP H H 55 8.289 8.289 8.272 0.017 18393 613 1 2 . 1 1 42 42 THR N N 56 114.627 114.627 116.713 -2.086 18393 614 1 2 . 1 1 42 42 THR HA H 56 4.329 4.329 4.419 -0.090 18393 615 1 2 . 1 1 42 42 THR C C 56 175.261 175.261 174.807 0.454 18393 616 1 2 . 1 1 42 42 THR CA C 56 61.698 61.698 61.240 0.458 18393 617 1 2 . 1 1 42 42 THR CB C 56 72.359 72.359 70.107 2.252 18393 618 1 2 . 1 1 42 42 THR H H 56 8.972 8.972 8.453 0.519 18393 619 1 2 . 1 1 43 43 ASP N N 57 120.151 120.151 120.940 -0.789 18393 620 1 2 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.451 -0.006 18393 621 1 2 . 1 1 43 43 ASP C C 57 175.710 175.710 176.309 -0.599 18393 622 1 2 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.395 0.982 18393 623 1 2 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.194 -0.322 18393 624 1 2 . 1 1 43 43 ASP H H 57 8.379 8.379 8.399 -0.020 18393 625 1 2 . 1 1 44 44 GLU N N 58 122.449 122.449 121.806 0.643 18393 626 1 2 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.553 -0.088 18393 627 1 2 . 1 1 44 44 GLU C C 58 176.412 176.412 177.166 -0.754 18393 628 1 2 . 1 1 44 44 GLU CA C 58 55.471 55.471 57.785 -2.314 18393 629 1 2 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.878 1.180 18393 630 1 2 . 1 1 44 44 GLU H H 58 8.581 8.581 8.508 0.073 18393 631 1 2 . 1 1 45 45 CYS N N 59 126.725 126.725 124.942 1.783 18393 632 1 2 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.443 0.252 18393 633 1 2 . 1 1 45 45 CYS C C 59 173.364 173.364 174.132 -0.768 18393 634 1 2 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.578 1.342 18393 635 1 2 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.796 3.888 18393 636 1 2 . 1 1 45 45 CYS H H 59 8.671 8.671 8.689 -0.018 18393 637 1 2 . 1 1 46 46 ILE N N 60 126.614 126.614 126.990 -0.376 18393 638 1 2 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.539 0.154 18393 639 1 2 . 1 1 46 46 ILE C C 60 176.175 176.175 176.796 -0.621 18393 640 1 2 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.037 0.739 18393 641 1 2 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.511 0.835 18393 642 1 2 . 1 1 46 46 ILE H H 60 8.735 8.735 8.067 0.668 18393 643 1 2 . 1 1 47 47 GLY N N 61 112.366 112.366 116.751 -4.385 18393 644 1 2 . 1 1 47 47 GLY C C 61 171.844 171.844 173.451 -1.607 18393 645 1 2 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.370 -0.087 18393 646 1 2 . 1 1 47 47 GLY H H 61 8.610 8.610 8.604 0.006 18393 647 1 2 . 1 1 48 48 GLU N N 62 115.030 115.030 120.406 -5.376 18393 648 1 2 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.651 -0.106 18393 649 1 2 . 1 1 48 48 GLU C C 62 174.927 174.927 174.896 0.031 18393 650 1 2 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.233 -0.350 18393 651 1 2 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.754 0.595 18393 652 1 2 . 1 1 48 48 GLU H H 62 8.214 8.214 8.055 0.159 18393 653 1 2 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.478 0.386 18393 654 1 2 . 1 1 49 49 PRO C C 63 178.286 178.286 176.233 2.053 18393 655 1 2 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.512 -1.252 18393 656 1 2 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.355 -0.088 18393 657 1 2 . 1 1 50 50 MET N N 64 123.505 123.505 123.904 -0.399 18393 658 1 2 . 1 1 50 50 MET HA H 64 5.530 5.530 4.944 0.586 18393 659 1 2 . 1 1 50 50 MET C C 64 176.337 176.337 174.600 1.737 18393 660 1 2 . 1 1 50 50 MET CA C 64 51.674 51.674 51.664 0.010 18393 661 1 2 . 1 1 50 50 MET CB C 64 37.597 37.597 34.393 3.204 18393 662 1 2 . 1 1 50 50 MET H H 64 9.267 9.267 8.781 0.486 18393 663 1 2 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.407 0.679 18393 664 1 2 . 1 1 51 51 PRO C C 65 174.862 174.862 175.342 -0.480 18393 665 1 2 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.003 0.663 18393 666 1 2 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.738 0.789 18393 667 1 2 . 1 1 52 52 SER N N 66 109.598 109.598 113.485 -3.887 18393 668 1 2 . 1 1 52 52 SER HA H 66 4.813 4.813 4.942 -0.129 18393 669 1 2 . 1 1 52 52 SER C C 66 173.368 173.368 174.463 -1.095 18393 670 1 2 . 1 1 52 52 SER CA C 66 55.463 55.463 56.975 -1.512 18393 671 1 2 . 1 1 52 52 SER CB C 66 66.775 66.775 66.796 -0.021 18393 672 1 2 . 1 1 52 52 SER H H 66 7.165 7.165 7.387 -0.222 18393 673 1 2 . 1 1 53 53 VAL N N 67 124.347 124.347 122.935 1.412 18393 674 1 2 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.893 -1.063 18393 675 1 2 . 1 1 53 53 VAL C C 67 177.116 177.116 176.997 0.119 18393 676 1 2 . 1 1 53 53 VAL CA C 67 66.829 66.829 64.834 1.995 18393 677 1 2 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.629 -0.305 18393 678 1 2 . 1 1 53 53 VAL H H 67 8.522 8.522 8.768 -0.246 18393 679 1 2 . 1 1 54 54 LYS N N 68 118.639 118.639 120.157 -1.518 18393 680 1 2 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.083 -0.614 18393 681 1 2 . 1 1 54 54 LYS C C 68 178.286 178.286 178.493 -0.207 18393 682 1 2 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.586 0.764 18393 683 1 2 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.902 0.461 18393 684 1 2 . 1 1 54 54 LYS H H 68 8.098 8.098 8.460 -0.362 18393 685 1 2 . 1 1 55 55 LYS N N 69 115.388 115.388 118.474 -3.086 18393 686 1 2 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.325 -0.231 18393 687 1 2 . 1 1 55 55 LYS C C 69 179.694 179.694 178.254 1.440 18393 688 1 2 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.207 0.621 18393 689 1 2 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.092 0.747 18393 690 1 2 . 1 1 55 55 LYS H H 69 7.499 7.499 7.619 -0.120 18393 691 1 2 . 1 1 56 56 ALA N N 70 124.226 124.226 124.493 -0.267 18393 692 1 2 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.160 -0.011 18393 693 1 2 . 1 1 56 56 ALA C C 70 181.217 181.217 179.376 1.841 18393 694 1 2 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.403 0.313 18393 695 1 2 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.650 1.860 18393 696 1 2 . 1 1 56 56 ALA H H 70 8.296 8.296 8.043 0.253 18393 697 1 2 . 1 1 57 57 LYS N N 71 120.522 120.522 117.658 2.864 18393 698 1 2 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.222 -0.579 18393 699 1 2 . 1 1 57 57 LYS C C 71 177.937 177.937 178.640 -0.703 18393 700 1 2 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.528 1.559 18393 701 1 2 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.480 0.648 18393 702 1 2 . 1 1 57 57 LYS H H 71 8.385 8.385 7.525 0.860 18393 703 1 2 . 1 1 58 58 ASP N N 72 119.428 119.428 119.819 -0.391 18393 704 1 2 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.368 -0.062 18393 705 1 2 . 1 1 58 58 ASP C C 72 177.042 177.042 178.329 -1.287 18393 706 1 2 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.670 0.470 18393 707 1 2 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.680 -0.555 18393 708 1 2 . 1 1 58 58 ASP H H 72 8.029 8.029 7.832 0.197 18393 709 1 2 . 1 1 59 59 SER N N 73 111.435 111.435 115.441 -4.006 18393 710 1 2 . 1 1 59 59 SER HA H 73 4.243 4.243 4.191 0.052 18393 711 1 2 . 1 1 59 59 SER C C 73 177.000 177.000 176.491 0.509 18393 712 1 2 . 1 1 59 59 SER CA C 73 63.579 63.579 61.471 2.108 18393 713 1 2 . 1 1 59 59 SER CB C 73 60.947 60.947 63.071 -2.124 18393 714 1 2 . 1 1 59 59 SER H H 73 7.785 7.785 8.070 -0.285 18393 715 1 2 . 1 1 60 60 ALA N N 74 120.363 120.363 123.616 -3.253 18393 716 1 2 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.025 -0.062 18393 717 1 2 . 1 1 60 60 ALA C C 74 178.170 178.170 179.432 -1.262 18393 718 1 2 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.991 0.507 18393 719 1 2 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.440 -0.529 18393 720 1 2 . 1 1 60 60 ALA H H 74 7.472 7.472 7.829 -0.357 18393 721 1 2 . 1 1 61 61 ALA N N 75 118.116 118.116 121.768 -3.652 18393 722 1 2 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.114 -0.166 18393 723 1 2 . 1 1 61 61 ALA C C 75 179.341 179.341 179.313 0.028 18393 724 1 2 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.296 0.364 18393 725 1 2 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.424 0.518 18393 726 1 2 . 1 1 61 61 ALA H H 75 8.653 8.653 8.688 -0.035 18393 727 1 2 . 1 1 62 62 VAL N N 76 115.858 115.858 118.005 -2.147 18393 728 1 2 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.839 -0.183 18393 729 1 2 . 1 1 62 62 VAL C C 76 178.051 178.051 177.579 0.472 18393 730 1 2 . 1 1 62 62 VAL CA C 76 66.651 66.651 64.868 1.782 18393 731 1 2 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.531 0.316 18393 732 1 2 . 1 1 62 62 VAL H H 76 8.124 8.124 7.698 0.426 18393 733 1 2 . 1 1 63 63 LEU N N 77 119.881 119.881 118.184 1.697 18393 734 1 2 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.409 -0.220 18393 735 1 2 . 1 1 63 63 LEU C C 77 179.692 179.692 179.526 0.166 18393 736 1 2 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.949 0.635 18393 737 1 2 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.687 0.229 18393 738 1 2 . 1 1 63 63 LEU H H 77 7.038 7.038 7.178 -0.140 18393 739 1 2 . 1 1 64 64 LEU N N 78 122.083 122.083 121.922 0.161 18393 740 1 2 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.150 0.378 18393 741 1 2 . 1 1 64 64 LEU C C 78 178.601 178.601 178.549 0.052 18393 742 1 2 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.641 -0.183 18393 743 1 2 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.072 -0.818 18393 744 1 2 . 1 1 64 64 LEU H H 78 7.694 7.694 8.149 -0.455 18393 745 1 2 . 1 1 65 65 LEU N N 79 120.548 120.548 117.807 2.741 18393 746 1 2 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.091 -0.227 18393 747 1 2 . 1 1 65 65 LEU C C 79 178.861 178.861 177.902 0.959 18393 748 1 2 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.534 0.943 18393 749 1 2 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.206 0.412 18393 750 1 2 . 1 1 65 65 LEU H H 79 8.671 8.671 8.216 0.455 18393 751 1 2 . 1 1 66 66 GLU N N 80 117.398 117.398 116.534 0.864 18393 752 1 2 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.184 -0.125 18393 753 1 2 . 1 1 66 66 GLU C C 80 178.957 178.957 178.633 0.324 18393 754 1 2 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.232 1.104 18393 755 1 2 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.713 -0.332 18393 756 1 2 . 1 1 66 66 GLU H H 80 7.613 7.613 7.391 0.222 18393 757 1 2 . 1 1 67 67 LEU N N 81 120.633 120.633 120.679 -0.046 18393 758 1 2 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.069 0.091 18393 759 1 2 . 1 1 67 67 LEU C C 81 180.162 180.162 178.877 1.285 18393 760 1 2 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.673 0.440 18393 761 1 2 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.353 -0.296 18393 762 1 2 . 1 1 67 67 LEU H H 81 7.656 7.656 7.381 0.275 18393 763 1 2 . 1 1 68 68 LEU N N 82 118.949 118.949 117.058 1.891 18393 764 1 2 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.303 -0.140 18393 765 1 2 . 1 1 68 68 LEU C C 82 178.289 178.289 177.828 0.461 18393 766 1 2 . 1 1 68 68 LEU CA C 82 57.855 57.855 56.289 1.566 18393 767 1 2 . 1 1 68 68 LEU CB C 82 42.018 42.018 40.800 1.218 18393 768 1 2 . 1 1 68 68 LEU H H 82 8.583 8.583 8.293 0.290 18393 769 1 2 . 1 1 69 69 ASN N N 83 116.570 116.570 117.060 -0.490 18393 770 1 2 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.762 -0.033 18393 771 1 2 . 1 1 69 69 ASN C C 83 174.784 174.784 175.373 -0.589 18393 772 1 2 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.878 -0.139 18393 773 1 2 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.813 -0.666 18393 774 1 2 . 1 1 69 69 ASN H H 83 7.920 7.920 7.651 0.269 18393 775 1 2 . 1 1 70 70 LYS N N 84 120.363 120.363 119.916 0.447 18393 776 1 2 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.620 -0.216 18393 777 1 2 . 1 1 70 70 LYS C C 84 175.910 175.910 175.329 0.581 18393 778 1 2 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.520 1.316 18393 779 1 2 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.823 0.176 18393 780 1 2 . 1 1 70 70 LYS H H 84 7.593 7.593 7.615 -0.022 18393 781 1 3 . 1 1 2 2 ASP N N 16 119.381 119.381 120.936 -1.555 18393 782 1 3 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.442 -0.102 18393 783 1 3 . 1 1 2 2 ASP C C 16 178.935 178.935 178.291 0.644 18393 784 1 3 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.064 0.644 18393 785 1 3 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.262 0.419 18393 786 1 3 . 1 1 2 2 ASP H H 16 8.320 8.320 8.795 -0.475 18393 787 1 3 . 1 1 3 3 ILE N N 17 121.475 121.475 120.361 1.114 18393 788 1 3 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.795 -0.249 18393 789 1 3 . 1 1 3 3 ILE C C 17 177.116 177.116 177.938 -0.822 18393 790 1 3 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.205 1.028 18393 791 1 3 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.593 0.108 18393 792 1 3 . 1 1 3 3 ILE H H 17 7.793 7.793 8.412 -0.619 18393 793 1 3 . 1 1 4 4 CYS N N 18 117.506 117.506 117.656 -0.150 18393 794 1 3 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.312 -0.370 18393 795 1 3 . 1 1 4 4 CYS C C 18 176.671 176.671 176.937 -0.266 18393 796 1 3 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.994 1.630 18393 797 1 3 . 1 1 4 4 CYS CB C 18 25.965 25.965 27.367 -1.402 18393 798 1 3 . 1 1 4 4 CYS H H 18 7.823 7.823 7.732 0.091 18393 799 1 3 . 1 1 5 5 LEU N N 19 118.832 118.832 122.468 -3.636 18393 800 1 3 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.145 -0.049 18393 801 1 3 . 1 1 5 5 LEU C C 19 180.698 180.698 179.340 1.358 18393 802 1 3 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.952 -0.015 18393 803 1 3 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.924 0.142 18393 804 1 3 . 1 1 5 5 LEU H H 19 8.101 8.101 8.660 -0.559 18393 805 1 3 . 1 1 6 6 ARG N N 20 119.443 119.443 120.150 -0.707 18393 806 1 3 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.943 -0.009 18393 807 1 3 . 1 1 6 6 ARG C C 20 178.169 178.169 177.829 0.340 18393 808 1 3 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.785 0.090 18393 809 1 3 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.079 -0.099 18393 810 1 3 . 1 1 6 6 ARG H H 20 7.934 7.934 8.051 -0.117 18393 811 1 3 . 1 1 7 7 LYS N N 21 116.636 116.636 116.031 0.605 18393 812 1 3 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.856 -0.083 18393 813 1 3 . 1 1 7 7 LYS C C 21 175.224 175.224 175.504 -0.280 18393 814 1 3 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.143 -0.065 18393 815 1 3 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.707 -0.190 18393 816 1 3 . 1 1 7 7 LYS H H 21 7.553 7.553 7.400 0.153 18393 817 1 3 . 1 1 8 8 ASN N N 22 114.898 114.898 114.627 0.271 18393 818 1 3 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.421 -0.119 18393 819 1 3 . 1 1 8 8 ASN C C 22 174.073 174.073 174.666 -0.593 18393 820 1 3 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.296 0.137 18393 821 1 3 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.658 -0.641 18393 822 1 3 . 1 1 8 8 ASN H H 22 7.640 7.640 7.587 0.053 18393 823 1 3 . 1 1 9 9 TRP N N 23 120.563 120.563 119.209 1.354 18393 824 1 3 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.103 0.138 18393 825 1 3 . 1 1 9 9 TRP C C 23 173.601 173.601 174.899 -1.298 18393 826 1 3 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.191 -2.371 18393 827 1 3 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.850 0.724 18393 828 1 3 . 1 1 9 9 TRP H H 23 8.692 8.692 7.803 0.889 18393 829 1 3 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.509 -0.050 18393 830 1 3 . 1 1 10 10 PRO C C 24 175.391 175.391 176.479 -1.088 18393 831 1 3 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.381 -0.283 18393 832 1 3 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.403 -0.821 18393 833 1 3 . 1 1 11 11 MET N N 25 116.562 116.562 118.613 -2.051 18393 834 1 3 . 1 1 11 11 MET HA H 25 4.751 4.751 4.710 0.041 18393 835 1 3 . 1 1 11 11 MET C C 25 175.240 175.240 175.169 0.071 18393 836 1 3 . 1 1 11 11 MET CA C 25 53.800 53.800 52.065 1.736 18393 837 1 3 . 1 1 11 11 MET CB C 25 30.695 30.695 30.432 0.263 18393 838 1 3 . 1 1 11 11 MET H H 25 8.201 8.201 8.422 -0.221 18393 839 1 3 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.687 -0.363 18393 840 1 3 . 1 1 12 12 PRO C C 26 174.890 174.890 176.318 -1.428 18393 841 1 3 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.834 0.647 18393 842 1 3 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.594 0.131 18393 843 1 3 . 1 1 13 13 SER N N 27 116.608 116.608 115.608 1.000 18393 844 1 3 . 1 1 13 13 SER HA H 27 4.781 4.781 4.740 0.041 18393 845 1 3 . 1 1 13 13 SER C C 27 173.365 173.365 173.487 -0.122 18393 846 1 3 . 1 1 13 13 SER CA C 27 57.219 57.219 57.927 -0.708 18393 847 1 3 . 1 1 13 13 SER CB C 27 64.227 64.227 64.155 0.072 18393 848 1 3 . 1 1 13 13 SER H H 27 8.555 8.555 8.512 0.043 18393 849 1 3 . 1 1 14 14 TYR N N 28 125.256 125.256 123.653 1.603 18393 850 1 3 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.075 0.546 18393 851 1 3 . 1 1 14 14 TYR C C 28 176.175 176.175 174.705 1.470 18393 852 1 3 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.861 -0.298 18393 853 1 3 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.826 1.035 18393 854 1 3 . 1 1 14 14 TYR H H 28 8.939 8.939 8.615 0.324 18393 855 1 3 . 1 1 15 15 ARG N N 29 120.540 120.540 125.784 -5.244 18393 856 1 3 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.691 -0.149 18393 857 1 3 . 1 1 15 15 ARG C C 29 173.134 173.134 175.129 -1.995 18393 858 1 3 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.343 -0.523 18393 859 1 3 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.121 0.600 18393 860 1 3 . 1 1 15 15 ARG H H 29 9.159 9.159 9.169 -0.010 18393 861 1 3 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.580 -1.683 18393 862 1 3 . 1 1 16 16 CYS C C 30 174.180 174.180 175.480 -1.300 18393 863 1 3 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.352 -1.633 18393 864 1 3 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.019 -1.913 18393 865 1 3 . 1 1 17 17 VAL N N 31 132.259 132.259 125.761 6.498 18393 866 1 3 . 1 1 17 17 VAL HA H 31 3.651 3.651 3.963 -0.312 18393 867 1 3 . 1 1 17 17 VAL C C 31 175.711 175.711 175.565 0.146 18393 868 1 3 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.457 -0.371 18393 869 1 3 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.288 0.224 18393 870 1 3 . 1 1 17 17 VAL H H 31 8.659 8.659 8.735 -0.076 18393 871 1 3 . 1 1 18 18 LYS N N 32 118.630 118.630 120.054 -1.424 18393 872 1 3 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.619 -0.259 18393 873 1 3 . 1 1 18 18 LYS C C 32 173.015 173.015 174.441 -1.426 18393 874 1 3 . 1 1 18 18 LYS CA C 32 56.402 56.402 54.788 1.614 18393 875 1 3 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.103 0.901 18393 876 1 3 . 1 1 18 18 LYS H H 32 7.673 7.673 8.132 -0.459 18393 877 1 3 . 1 1 19 19 GLU N N 33 125.800 125.800 125.206 0.594 18393 878 1 3 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.548 0.305 18393 879 1 3 . 1 1 19 19 GLU C C 33 175.060 175.060 175.802 -0.742 18393 880 1 3 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.365 -0.801 18393 881 1 3 . 1 1 19 19 GLU CB C 33 32.137 32.137 31.805 0.332 18393 882 1 3 . 1 1 19 19 GLU H H 33 8.431 8.431 8.654 -0.223 18393 883 1 3 . 1 1 20 20 GLY N N 34 111.079 111.079 110.762 0.317 18393 884 1 3 . 1 1 20 20 GLY C C 34 172.318 172.318 174.299 -1.981 18393 885 1 3 . 1 1 20 20 GLY CA C 34 44.641 44.641 44.807 -0.166 18393 886 1 3 . 1 1 20 20 GLY H H 34 8.345 8.345 8.724 -0.379 18393 887 1 3 . 1 1 21 21 GLY N N 35 107.395 107.395 111.638 -4.243 18393 888 1 3 . 1 1 21 21 GLY C C 35 171.757 171.757 173.305 -1.548 18393 889 1 3 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.517 -0.780 18393 890 1 3 . 1 1 21 21 GLY H H 35 8.184 8.184 8.418 -0.234 18393 891 1 3 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.188 0.288 18393 892 1 3 . 1 1 22 22 PRO C C 36 177.171 177.171 176.616 0.555 18393 893 1 3 . 1 1 22 22 PRO CA C 36 62.263 62.263 65.623 -3.360 18393 894 1 3 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.853 0.408 18393 895 1 3 . 1 1 23 23 ALA N N 37 120.595 120.595 114.520 6.075 18393 896 1 3 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.289 -0.466 18393 897 1 3 . 1 1 23 23 ALA C C 37 178.547 178.547 177.876 0.671 18393 898 1 3 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.825 2.668 18393 899 1 3 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.597 -0.046 18393 900 1 3 . 1 1 23 23 ALA H H 37 8.580 8.580 7.545 1.034 18393 901 1 3 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.580 0.035 18393 902 1 3 . 1 1 24 24 HIS C C 38 174.890 174.890 174.500 0.390 18393 903 1 3 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.133 -1.272 18393 904 1 3 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.548 0.812 18393 905 1 3 . 1 1 25 25 ALA N N 39 128.271 128.271 121.886 6.385 18393 906 1 3 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.454 0.020 18393 907 1 3 . 1 1 25 25 ALA C C 39 174.351 174.351 176.866 -2.515 18393 908 1 3 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.771 -0.455 18393 909 1 3 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.777 -1.666 18393 910 1 3 . 1 1 25 25 ALA H H 39 7.697 7.697 7.787 -0.090 18393 911 1 3 . 1 1 26 26 LYS N N 40 121.927 121.927 120.299 1.628 18393 912 1 3 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.171 -0.053 18393 913 1 3 . 1 1 26 26 LYS C C 40 177.551 177.551 174.979 2.572 18393 914 1 3 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.608 1.536 18393 915 1 3 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.048 1.024 18393 916 1 3 . 1 1 26 26 LYS H H 40 7.990 7.990 7.742 0.248 18393 917 1 3 . 1 1 27 27 ARG N N 41 119.572 119.572 117.006 2.566 18393 918 1 3 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.048 0.590 18393 919 1 3 . 1 1 27 27 ARG C C 41 174.770 174.770 175.493 -0.723 18393 920 1 3 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.014 -1.536 18393 921 1 3 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.406 2.984 18393 922 1 3 . 1 1 27 27 ARG H H 41 8.296 8.296 7.357 0.939 18393 923 1 3 . 1 1 28 28 PHE N N 42 120.381 120.381 123.365 -2.984 18393 924 1 3 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.153 -0.106 18393 925 1 3 . 1 1 28 28 PHE C C 42 174.407 174.407 175.690 -1.283 18393 926 1 3 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.108 1.918 18393 927 1 3 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.535 2.594 18393 928 1 3 . 1 1 28 28 PHE H H 42 9.339 9.339 8.902 0.437 18393 929 1 3 . 1 1 29 29 THR N N 43 117.999 117.999 118.862 -0.863 18393 930 1 3 . 1 1 29 29 THR HA H 43 4.704 4.704 4.767 -0.063 18393 931 1 3 . 1 1 29 29 THR C C 43 173.713 173.713 172.864 0.849 18393 932 1 3 . 1 1 29 29 THR CA C 43 62.117 62.117 61.934 0.184 18393 933 1 3 . 1 1 29 29 THR CB C 43 70.104 70.104 70.638 -0.534 18393 934 1 3 . 1 1 29 29 THR H H 43 8.949 8.949 8.584 0.365 18393 935 1 3 . 1 1 30 30 PHE N N 44 129.592 129.592 126.775 2.817 18393 936 1 3 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.975 0.420 18393 937 1 3 . 1 1 30 30 PHE C C 44 173.221 173.221 172.864 0.357 18393 938 1 3 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.928 0.495 18393 939 1 3 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.740 1.177 18393 940 1 3 . 1 1 30 30 PHE H H 44 10.048 10.048 8.796 1.252 18393 941 1 3 . 1 1 31 31 GLY N N 45 105.921 105.921 109.882 -3.961 18393 942 1 3 . 1 1 31 31 GLY C C 45 172.774 172.774 171.058 1.716 18393 943 1 3 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.208 0.330 18393 944 1 3 . 1 1 31 31 GLY H H 45 9.290 9.290 8.042 1.248 18393 945 1 3 . 1 1 32 32 VAL N N 46 121.311 121.311 123.910 -2.599 18393 946 1 3 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.684 0.666 18393 947 1 3 . 1 1 32 32 VAL C C 46 171.140 171.140 173.977 -2.837 18393 948 1 3 . 1 1 32 32 VAL CA C 46 58.832 58.832 58.853 -0.021 18393 949 1 3 . 1 1 32 32 VAL CB C 46 36.387 36.387 35.357 1.030 18393 950 1 3 . 1 1 32 32 VAL H H 46 8.906 8.906 7.399 1.507 18393 951 1 3 . 1 1 33 33 ARG N N 47 122.102 122.102 126.170 -4.068 18393 952 1 3 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.177 -0.606 18393 953 1 3 . 1 1 33 33 ARG C C 47 173.683 173.683 174.356 -0.673 18393 954 1 3 . 1 1 33 33 ARG CA C 47 54.958 54.958 53.910 1.048 18393 955 1 3 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.857 1.859 18393 956 1 3 . 1 1 33 33 ARG H H 47 8.008 8.008 7.831 0.177 18393 957 1 3 . 1 1 34 34 VAL N N 48 117.391 117.391 120.227 -2.836 18393 958 1 3 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.509 0.278 18393 959 1 3 . 1 1 34 34 VAL C C 48 172.777 172.777 173.340 -0.563 18393 960 1 3 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.180 -0.210 18393 961 1 3 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.284 0.028 18393 962 1 3 . 1 1 34 34 VAL H H 48 8.103 8.103 9.102 -0.999 18393 963 1 3 . 1 1 35 35 ASN N N 49 127.065 127.065 121.952 5.113 18393 964 1 3 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.310 -0.774 18393 965 1 3 . 1 1 35 35 ASN C C 49 174.221 174.221 174.040 0.181 18393 966 1 3 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.063 -0.456 18393 967 1 3 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.452 -2.710 18393 968 1 3 . 1 1 35 35 ASN H H 49 8.543 8.543 8.554 -0.011 18393 969 1 3 . 1 1 36 36 THR N N 50 114.402 114.402 115.501 -1.099 18393 970 1 3 . 1 1 36 36 THR HA H 50 2.159 2.159 2.868 -0.709 18393 971 1 3 . 1 1 36 36 THR C C 50 175.168 175.168 175.807 -0.639 18393 972 1 3 . 1 1 36 36 THR CA C 50 61.126 61.126 61.108 0.018 18393 973 1 3 . 1 1 36 36 THR CB C 50 69.987 69.987 68.920 1.067 18393 974 1 3 . 1 1 36 36 THR H H 50 6.801 6.801 7.744 -0.943 18393 975 1 3 . 1 1 37 37 SER N N 51 114.587 114.587 122.171 -7.584 18393 976 1 3 . 1 1 37 37 SER HA H 51 4.105 4.105 4.053 0.052 18393 977 1 3 . 1 1 37 37 SER C C 51 174.760 174.760 174.996 -0.236 18393 978 1 3 . 1 1 37 37 SER CA C 51 59.958 59.958 61.353 -1.395 18393 979 1 3 . 1 1 37 37 SER CB C 51 63.115 63.115 62.888 0.227 18393 980 1 3 . 1 1 37 37 SER H H 51 6.797 6.797 8.529 -1.732 18393 981 1 3 . 1 1 38 38 ASP N N 52 117.329 117.329 118.460 -1.131 18393 982 1 3 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.615 -0.026 18393 983 1 3 . 1 1 38 38 ASP C C 52 177.236 177.236 176.701 0.535 18393 984 1 3 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.398 0.152 18393 985 1 3 . 1 1 38 38 ASP CB C 52 40.606 40.606 41.125 -0.519 18393 986 1 3 . 1 1 38 38 ASP H H 52 8.784 8.784 8.131 0.653 18393 987 1 3 . 1 1 39 39 ARG N N 53 118.330 118.330 120.578 -2.248 18393 988 1 3 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.428 0.068 18393 989 1 3 . 1 1 39 39 ARG C C 53 176.062 176.062 176.216 -0.154 18393 990 1 3 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.536 -0.486 18393 991 1 3 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.060 -1.619 18393 992 1 3 . 1 1 39 39 ARG H H 53 7.666 7.666 7.836 -0.170 18393 993 1 3 . 1 1 40 40 GLY N N 54 110.510 110.510 107.366 3.144 18393 994 1 3 . 1 1 40 40 GLY C C 54 177.680 177.680 172.799 4.881 18393 995 1 3 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.167 0.510 18393 996 1 3 . 1 1 40 40 GLY H H 54 7.248 7.248 7.837 -0.589 18393 997 1 3 . 1 1 41 41 TRP N N 55 123.328 123.328 123.276 0.052 18393 998 1 3 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.764 0.155 18393 999 1 3 . 1 1 41 41 TRP C C 55 178.873 178.873 177.282 1.591 18393 1000 1 3 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.337 0.780 18393 1001 1 3 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.426 0.348 18393 1002 1 3 . 1 1 41 41 TRP H H 55 8.289 8.289 8.253 0.036 18393 1003 1 3 . 1 1 42 42 THR N N 56 114.627 114.627 117.119 -2.492 18393 1004 1 3 . 1 1 42 42 THR HA H 56 4.329 4.329 4.326 0.003 18393 1005 1 3 . 1 1 42 42 THR C C 56 175.261 175.261 174.646 0.615 18393 1006 1 3 . 1 1 42 42 THR CA C 56 61.698 61.698 61.685 0.013 18393 1007 1 3 . 1 1 42 42 THR CB C 56 72.359 72.359 69.956 2.403 18393 1008 1 3 . 1 1 42 42 THR H H 56 8.972 8.972 8.500 0.472 18393 1009 1 3 . 1 1 43 43 ASP N N 57 120.151 120.151 121.840 -1.689 18393 1010 1 3 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.479 -0.034 18393 1011 1 3 . 1 1 43 43 ASP C C 57 175.710 175.710 176.229 -0.519 18393 1012 1 3 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.170 1.206 18393 1013 1 3 . 1 1 43 43 ASP CB C 57 40.872 40.872 40.690 0.182 18393 1014 1 3 . 1 1 43 43 ASP H H 57 8.379 8.379 8.362 0.017 18393 1015 1 3 . 1 1 44 44 GLU N N 58 122.449 122.449 121.491 0.958 18393 1016 1 3 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.466 -0.001 18393 1017 1 3 . 1 1 44 44 GLU C C 58 176.412 176.412 176.695 -0.283 18393 1018 1 3 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.599 -1.128 18393 1019 1 3 . 1 1 44 44 GLU CB C 58 31.058 31.058 30.055 1.004 18393 1020 1 3 . 1 1 44 44 GLU H H 58 8.581 8.581 8.443 0.138 18393 1021 1 3 . 1 1 45 45 CYS N N 59 126.725 126.725 123.493 3.232 18393 1022 1 3 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.572 0.123 18393 1023 1 3 . 1 1 45 45 CYS C C 59 173.364 173.364 174.457 -1.093 18393 1024 1 3 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.599 1.321 18393 1025 1 3 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.488 3.196 18393 1026 1 3 . 1 1 45 45 CYS H H 59 8.671 8.671 8.530 0.141 18393 1027 1 3 . 1 1 46 46 ILE N N 60 126.614 126.614 127.269 -0.655 18393 1028 1 3 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.427 0.266 18393 1029 1 3 . 1 1 46 46 ILE C C 60 176.175 176.175 176.803 -0.628 18393 1030 1 3 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.679 0.097 18393 1031 1 3 . 1 1 46 46 ILE CB C 60 38.346 38.346 36.978 1.368 18393 1032 1 3 . 1 1 46 46 ILE H H 60 8.735 8.735 8.214 0.521 18393 1033 1 3 . 1 1 47 47 GLY N N 61 112.366 112.366 116.857 -4.491 18393 1034 1 3 . 1 1 47 47 GLY C C 61 171.844 171.844 173.741 -1.897 18393 1035 1 3 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.187 0.096 18393 1036 1 3 . 1 1 47 47 GLY H H 61 8.610 8.610 8.466 0.144 18393 1037 1 3 . 1 1 48 48 GLU N N 62 115.030 115.030 120.463 -5.433 18393 1038 1 3 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.591 -0.046 18393 1039 1 3 . 1 1 48 48 GLU C C 62 174.927 174.927 174.709 0.218 18393 1040 1 3 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.443 -0.561 18393 1041 1 3 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.939 0.410 18393 1042 1 3 . 1 1 48 48 GLU H H 62 8.214 8.214 8.282 -0.068 18393 1043 1 3 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.457 0.407 18393 1044 1 3 . 1 1 49 49 PRO C C 63 178.286 178.286 176.180 2.106 18393 1045 1 3 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.344 -1.084 18393 1046 1 3 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.641 -0.374 18393 1047 1 3 . 1 1 50 50 MET N N 64 123.505 123.505 124.625 -1.120 18393 1048 1 3 . 1 1 50 50 MET HA H 64 5.530 5.530 4.899 0.631 18393 1049 1 3 . 1 1 50 50 MET C C 64 176.337 176.337 175.055 1.282 18393 1050 1 3 . 1 1 50 50 MET CA C 64 51.674 51.674 51.533 0.141 18393 1051 1 3 . 1 1 50 50 MET CB C 64 37.597 37.597 34.198 3.399 18393 1052 1 3 . 1 1 50 50 MET H H 64 9.267 9.267 8.855 0.412 18393 1053 1 3 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.422 0.664 18393 1054 1 3 . 1 1 51 51 PRO C C 65 174.862 174.862 175.363 -0.501 18393 1055 1 3 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.107 0.559 18393 1056 1 3 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.604 0.923 18393 1057 1 3 . 1 1 52 52 SER N N 66 109.598 109.598 112.908 -3.310 18393 1058 1 3 . 1 1 52 52 SER HA H 66 4.813 4.813 4.966 -0.153 18393 1059 1 3 . 1 1 52 52 SER C C 66 173.368 173.368 174.498 -1.130 18393 1060 1 3 . 1 1 52 52 SER CA C 66 55.463 55.463 56.913 -1.450 18393 1061 1 3 . 1 1 52 52 SER CB C 66 66.775 66.775 66.695 0.080 18393 1062 1 3 . 1 1 52 52 SER H H 66 7.165 7.165 7.311 -0.146 18393 1063 1 3 . 1 1 53 53 VAL N N 67 124.347 124.347 123.713 0.634 18393 1064 1 3 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.938 -1.108 18393 1065 1 3 . 1 1 53 53 VAL C C 67 177.116 177.116 177.221 -0.105 18393 1066 1 3 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.841 0.988 18393 1067 1 3 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.668 -0.344 18393 1068 1 3 . 1 1 53 53 VAL H H 67 8.522 8.522 8.808 -0.286 18393 1069 1 3 . 1 1 54 54 LYS N N 68 118.639 118.639 120.633 -1.994 18393 1070 1 3 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.054 -0.585 18393 1071 1 3 . 1 1 54 54 LYS C C 68 178.286 178.286 178.454 -0.168 18393 1072 1 3 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.738 0.612 18393 1073 1 3 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.132 0.232 18393 1074 1 3 . 1 1 54 54 LYS H H 68 8.098 8.098 8.582 -0.484 18393 1075 1 3 . 1 1 55 55 LYS N N 69 115.388 115.388 117.815 -2.427 18393 1076 1 3 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.297 -0.203 18393 1077 1 3 . 1 1 55 55 LYS C C 69 179.694 179.694 178.465 1.229 18393 1078 1 3 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.381 0.447 18393 1079 1 3 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.104 0.735 18393 1080 1 3 . 1 1 55 55 LYS H H 69 7.499 7.499 7.626 -0.127 18393 1081 1 3 . 1 1 56 56 ALA N N 70 124.226 124.226 124.848 -0.622 18393 1082 1 3 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.164 -0.015 18393 1083 1 3 . 1 1 56 56 ALA C C 70 181.217 181.217 179.373 1.844 18393 1084 1 3 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.348 0.368 18393 1085 1 3 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.665 1.845 18393 1086 1 3 . 1 1 56 56 ALA H H 70 8.296 8.296 7.967 0.329 18393 1087 1 3 . 1 1 57 57 LYS N N 71 120.522 120.522 117.645 2.877 18393 1088 1 3 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.095 -0.452 18393 1089 1 3 . 1 1 57 57 LYS C C 71 177.937 177.937 178.498 -0.561 18393 1090 1 3 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.606 1.481 18393 1091 1 3 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.715 0.413 18393 1092 1 3 . 1 1 57 57 LYS H H 71 8.385 8.385 7.551 0.834 18393 1093 1 3 . 1 1 58 58 ASP N N 72 119.428 119.428 119.950 -0.522 18393 1094 1 3 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.393 -0.087 18393 1095 1 3 . 1 1 58 58 ASP C C 72 177.042 177.042 178.649 -1.607 18393 1096 1 3 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.273 0.867 18393 1097 1 3 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.667 -0.542 18393 1098 1 3 . 1 1 58 58 ASP H H 72 8.029 8.029 7.827 0.202 18393 1099 1 3 . 1 1 59 59 SER N N 73 111.435 111.435 115.537 -4.102 18393 1100 1 3 . 1 1 59 59 SER HA H 73 4.243 4.243 4.177 0.066 18393 1101 1 3 . 1 1 59 59 SER C C 73 177.000 177.000 176.464 0.536 18393 1102 1 3 . 1 1 59 59 SER CA C 73 63.579 63.579 61.421 2.158 18393 1103 1 3 . 1 1 59 59 SER CB C 73 60.947 60.947 63.063 -2.116 18393 1104 1 3 . 1 1 59 59 SER H H 73 7.785 7.785 8.024 -0.239 18393 1105 1 3 . 1 1 60 60 ALA N N 74 120.363 120.363 123.537 -3.174 18393 1106 1 3 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.010 -0.047 18393 1107 1 3 . 1 1 60 60 ALA C C 74 178.170 178.170 179.439 -1.269 18393 1108 1 3 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.978 0.520 18393 1109 1 3 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.453 -0.542 18393 1110 1 3 . 1 1 60 60 ALA H H 74 7.472 7.472 7.710 -0.238 18393 1111 1 3 . 1 1 61 61 ALA N N 75 118.116 118.116 121.598 -3.482 18393 1112 1 3 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.095 -0.147 18393 1113 1 3 . 1 1 61 61 ALA C C 75 179.341 179.341 179.500 -0.159 18393 1114 1 3 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.233 0.427 18393 1115 1 3 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.441 0.501 18393 1116 1 3 . 1 1 61 61 ALA H H 75 8.653 8.653 8.428 0.225 18393 1117 1 3 . 1 1 62 62 VAL N N 76 115.858 115.858 118.017 -2.159 18393 1118 1 3 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.718 -0.062 18393 1119 1 3 . 1 1 62 62 VAL C C 76 178.051 178.051 177.886 0.165 18393 1120 1 3 . 1 1 62 62 VAL CA C 76 66.651 66.651 67.317 -0.665 18393 1121 1 3 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.671 0.176 18393 1122 1 3 . 1 1 62 62 VAL H H 76 8.124 8.124 7.542 0.582 18393 1123 1 3 . 1 1 63 63 LEU N N 77 119.881 119.881 118.397 1.484 18393 1124 1 3 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.090 0.099 18393 1125 1 3 . 1 1 63 63 LEU C C 77 179.692 179.692 178.957 0.735 18393 1126 1 3 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.039 0.545 18393 1127 1 3 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.691 0.225 18393 1128 1 3 . 1 1 63 63 LEU H H 77 7.038 7.038 7.323 -0.285 18393 1129 1 3 . 1 1 64 64 LEU N N 78 122.083 122.083 122.337 -0.254 18393 1130 1 3 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.150 0.378 18393 1131 1 3 . 1 1 64 64 LEU C C 78 178.601 178.601 178.683 -0.082 18393 1132 1 3 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.860 -0.402 18393 1133 1 3 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.996 -0.742 18393 1134 1 3 . 1 1 64 64 LEU H H 78 7.694 7.694 8.055 -0.361 18393 1135 1 3 . 1 1 65 65 LEU N N 79 120.548 120.548 117.712 2.836 18393 1136 1 3 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.045 -0.181 18393 1137 1 3 . 1 1 65 65 LEU C C 79 178.861 178.861 179.019 -0.158 18393 1138 1 3 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.993 0.484 18393 1139 1 3 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.258 0.360 18393 1140 1 3 . 1 1 65 65 LEU H H 79 8.671 8.671 8.700 -0.029 18393 1141 1 3 . 1 1 66 66 GLU N N 80 117.398 117.398 118.647 -1.249 18393 1142 1 3 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.125 -0.066 18393 1143 1 3 . 1 1 66 66 GLU C C 80 178.957 178.957 178.218 0.739 18393 1144 1 3 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.771 0.565 18393 1145 1 3 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.268 0.113 18393 1146 1 3 . 1 1 66 66 GLU H H 80 7.613 7.613 7.571 0.042 18393 1147 1 3 . 1 1 67 67 LEU N N 81 120.633 120.633 120.435 0.198 18393 1148 1 3 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.166 -0.006 18393 1149 1 3 . 1 1 67 67 LEU C C 81 180.162 180.162 179.085 1.077 18393 1150 1 3 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.554 0.559 18393 1151 1 3 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.249 -0.192 18393 1152 1 3 . 1 1 67 67 LEU H H 81 7.656 7.656 7.244 0.412 18393 1153 1 3 . 1 1 68 68 LEU N N 82 118.949 118.949 118.886 0.063 18393 1154 1 3 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.183 -0.020 18393 1155 1 3 . 1 1 68 68 LEU C C 82 178.289 178.289 178.895 -0.606 18393 1156 1 3 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.387 0.468 18393 1157 1 3 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.157 0.861 18393 1158 1 3 . 1 1 68 68 LEU H H 82 8.583 8.583 8.555 0.028 18393 1159 1 3 . 1 1 69 69 ASN N N 83 116.570 116.570 116.769 -0.199 18393 1160 1 3 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.653 0.076 18393 1161 1 3 . 1 1 69 69 ASN C C 83 174.784 174.784 175.548 -0.764 18393 1162 1 3 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.245 -0.506 18393 1163 1 3 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.793 0.355 18393 1164 1 3 . 1 1 69 69 ASN H H 83 7.920 7.920 7.721 0.199 18393 1165 1 3 . 1 1 70 70 LYS N N 84 120.363 120.363 119.243 1.120 18393 1166 1 3 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.576 -0.172 18393 1167 1 3 . 1 1 70 70 LYS C C 84 175.910 175.910 174.850 1.060 18393 1168 1 3 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.839 0.997 18393 1169 1 3 . 1 1 70 70 LYS CB C 84 32.999 32.999 33.079 -0.080 18393 1170 1 3 . 1 1 70 70 LYS H H 84 7.593 7.593 7.830 -0.237 18393 1171 1 4 . 1 1 2 2 ASP N N 16 119.381 119.381 122.370 -2.989 18393 1172 1 4 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.564 -0.224 18393 1173 1 4 . 1 1 2 2 ASP C C 16 178.935 178.935 178.152 0.783 18393 1174 1 4 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.043 0.665 18393 1175 1 4 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.887 -0.206 18393 1176 1 4 . 1 1 2 2 ASP H H 16 8.320 8.320 8.454 -0.134 18393 1177 1 4 . 1 1 3 3 ILE N N 17 121.475 121.475 120.713 0.762 18393 1178 1 4 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.843 -0.297 18393 1179 1 4 . 1 1 3 3 ILE C C 17 177.116 177.116 177.732 -0.616 18393 1180 1 4 . 1 1 3 3 ILE CA C 17 65.233 65.233 63.920 1.313 18393 1181 1 4 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.295 0.406 18393 1182 1 4 . 1 1 3 3 ILE H H 17 7.793 7.793 8.064 -0.271 18393 1183 1 4 . 1 1 4 4 CYS N N 18 117.506 117.506 118.230 -0.724 18393 1184 1 4 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.409 -0.467 18393 1185 1 4 . 1 1 4 4 CYS C C 18 176.671 176.671 177.203 -0.532 18393 1186 1 4 . 1 1 4 4 CYS CA C 18 64.624 64.624 63.246 1.378 18393 1187 1 4 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.772 -0.807 18393 1188 1 4 . 1 1 4 4 CYS H H 18 7.823 7.823 8.049 -0.226 18393 1189 1 4 . 1 1 5 5 LEU N N 19 118.832 118.832 122.366 -3.534 18393 1190 1 4 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.205 -0.109 18393 1191 1 4 . 1 1 5 5 LEU C C 19 180.698 180.698 179.431 1.267 18393 1192 1 4 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.972 -0.035 18393 1193 1 4 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.860 0.206 18393 1194 1 4 . 1 1 5 5 LEU H H 19 8.101 8.101 8.590 -0.489 18393 1195 1 4 . 1 1 6 6 ARG N N 20 119.443 119.443 120.249 -0.806 18393 1196 1 4 . 1 1 6 6 ARG HA H 20 3.934 3.934 4.012 -0.078 18393 1197 1 4 . 1 1 6 6 ARG C C 20 178.169 178.169 177.749 0.420 18393 1198 1 4 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.150 0.725 18393 1199 1 4 . 1 1 6 6 ARG CB C 20 29.980 29.980 29.932 0.048 18393 1200 1 4 . 1 1 6 6 ARG H H 20 7.934 7.934 8.258 -0.324 18393 1201 1 4 . 1 1 7 7 LYS N N 21 116.636 116.636 116.576 0.060 18393 1202 1 4 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.891 -0.118 18393 1203 1 4 . 1 1 7 7 LYS C C 21 175.224 175.224 175.784 -0.560 18393 1204 1 4 . 1 1 7 7 LYS CA C 21 55.078 55.078 54.985 0.093 18393 1205 1 4 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.564 -0.048 18393 1206 1 4 . 1 1 7 7 LYS H H 21 7.553 7.553 7.378 0.175 18393 1207 1 4 . 1 1 8 8 ASN N N 22 114.898 114.898 114.548 0.350 18393 1208 1 4 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.426 -0.124 18393 1209 1 4 . 1 1 8 8 ASN C C 22 174.073 174.073 174.556 -0.483 18393 1210 1 4 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.222 0.211 18393 1211 1 4 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.484 -0.467 18393 1212 1 4 . 1 1 8 8 ASN H H 22 7.640 7.640 7.546 0.094 18393 1213 1 4 . 1 1 9 9 TRP N N 23 120.563 120.563 119.402 1.161 18393 1214 1 4 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.097 0.144 18393 1215 1 4 . 1 1 9 9 TRP C C 23 173.601 173.601 175.120 -1.519 18393 1216 1 4 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.345 -2.525 18393 1217 1 4 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.684 0.890 18393 1218 1 4 . 1 1 9 9 TRP H H 23 8.692 8.692 7.787 0.905 18393 1219 1 4 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.433 0.026 18393 1220 1 4 . 1 1 10 10 PRO C C 24 175.391 175.391 176.406 -1.015 18393 1221 1 4 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.410 -0.312 18393 1222 1 4 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.553 -0.971 18393 1223 1 4 . 1 1 11 11 MET N N 25 116.562 116.562 117.581 -1.019 18393 1224 1 4 . 1 1 11 11 MET HA H 25 4.751 4.751 4.730 0.021 18393 1225 1 4 . 1 1 11 11 MET C C 25 175.240 175.240 174.966 0.274 18393 1226 1 4 . 1 1 11 11 MET CA C 25 53.800 53.800 52.993 0.807 18393 1227 1 4 . 1 1 11 11 MET CB C 25 30.695 30.695 30.825 -0.130 18393 1228 1 4 . 1 1 11 11 MET H H 25 8.201 8.201 8.483 -0.282 18393 1229 1 4 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.789 -0.465 18393 1230 1 4 . 1 1 12 12 PRO C C 26 174.890 174.890 175.934 -1.044 18393 1231 1 4 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.476 1.005 18393 1232 1 4 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.876 -0.151 18393 1233 1 4 . 1 1 13 13 SER N N 27 116.608 116.608 115.552 1.056 18393 1234 1 4 . 1 1 13 13 SER HA H 27 4.781 4.781 4.813 -0.032 18393 1235 1 4 . 1 1 13 13 SER C C 27 173.365 173.365 173.557 -0.192 18393 1236 1 4 . 1 1 13 13 SER CA C 27 57.219 57.219 58.104 -0.885 18393 1237 1 4 . 1 1 13 13 SER CB C 27 64.227 64.227 64.230 -0.003 18393 1238 1 4 . 1 1 13 13 SER H H 27 8.555 8.555 8.613 -0.058 18393 1239 1 4 . 1 1 14 14 TYR N N 28 125.256 125.256 122.940 2.316 18393 1240 1 4 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.082 0.539 18393 1241 1 4 . 1 1 14 14 TYR C C 28 176.175 176.175 174.684 1.491 18393 1242 1 4 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.870 -0.307 18393 1243 1 4 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.849 1.012 18393 1244 1 4 . 1 1 14 14 TYR H H 28 8.939 8.939 8.652 0.287 18393 1245 1 4 . 1 1 15 15 ARG N N 29 120.540 120.540 126.490 -5.950 18393 1246 1 4 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.836 -0.294 18393 1247 1 4 . 1 1 15 15 ARG C C 29 173.134 173.134 174.812 -1.678 18393 1248 1 4 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.947 -0.126 18393 1249 1 4 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.048 0.673 18393 1250 1 4 . 1 1 15 15 ARG H H 29 9.159 9.159 9.072 0.087 18393 1251 1 4 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.683 -1.786 18393 1252 1 4 . 1 1 16 16 CYS C C 30 174.180 174.180 175.715 -1.535 18393 1253 1 4 . 1 1 16 16 CYS CA C 30 58.719 58.719 58.856 -0.137 18393 1254 1 4 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.290 -2.184 18393 1255 1 4 . 1 1 17 17 VAL N N 31 132.259 132.259 120.825 11.434 18393 1256 1 4 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.160 -0.509 18393 1257 1 4 . 1 1 17 17 VAL C C 31 175.711 175.711 175.658 0.053 18393 1258 1 4 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.074 1.012 18393 1259 1 4 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.394 0.118 18393 1260 1 4 . 1 1 17 17 VAL H H 31 8.659 8.659 8.558 0.101 18393 1261 1 4 . 1 1 18 18 LYS N N 32 118.630 118.630 121.404 -2.774 18393 1262 1 4 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.617 -0.257 18393 1263 1 4 . 1 1 18 18 LYS C C 32 173.015 173.015 174.451 -1.436 18393 1264 1 4 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.955 0.448 18393 1265 1 4 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.188 0.816 18393 1266 1 4 . 1 1 18 18 LYS H H 32 7.673 7.673 8.231 -0.558 18393 1267 1 4 . 1 1 19 19 GLU N N 33 125.800 125.800 124.581 1.219 18393 1268 1 4 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.955 -0.102 18393 1269 1 4 . 1 1 19 19 GLU C C 33 175.060 175.060 176.918 -1.858 18393 1270 1 4 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.928 -1.364 18393 1271 1 4 . 1 1 19 19 GLU CB C 33 32.137 32.137 34.179 -2.042 18393 1272 1 4 . 1 1 19 19 GLU H H 33 8.431 8.431 8.795 -0.364 18393 1273 1 4 . 1 1 20 20 GLY N N 34 111.079 111.079 113.357 -2.278 18393 1274 1 4 . 1 1 20 20 GLY C C 34 172.318 172.318 174.456 -2.138 18393 1275 1 4 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.554 -0.913 18393 1276 1 4 . 1 1 20 20 GLY H H 34 8.345 8.345 8.810 -0.465 18393 1277 1 4 . 1 1 21 21 GLY N N 35 107.395 107.395 110.454 -3.059 18393 1278 1 4 . 1 1 21 21 GLY C C 35 171.757 171.757 173.171 -1.414 18393 1279 1 4 . 1 1 21 21 GLY CA C 35 43.737 43.737 45.266 -1.529 18393 1280 1 4 . 1 1 21 21 GLY H H 35 8.184 8.184 7.866 0.318 18393 1281 1 4 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.189 0.287 18393 1282 1 4 . 1 1 22 22 PRO C C 36 177.171 177.171 176.210 0.961 18393 1283 1 4 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.610 -2.347 18393 1284 1 4 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.838 0.423 18393 1285 1 4 . 1 1 23 23 ALA N N 37 120.595 120.595 115.721 4.874 18393 1286 1 4 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.199 -0.376 18393 1287 1 4 . 1 1 23 23 ALA C C 37 178.547 178.547 176.580 1.967 18393 1288 1 4 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.520 2.973 18393 1289 1 4 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.487 0.064 18393 1290 1 4 . 1 1 23 23 ALA H H 37 8.580 8.580 7.726 0.854 18393 1291 1 4 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.542 0.073 18393 1292 1 4 . 1 1 24 24 HIS C C 38 174.890 174.890 174.678 0.212 18393 1293 1 4 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.102 -0.241 18393 1294 1 4 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.149 1.211 18393 1295 1 4 . 1 1 25 25 ALA N N 39 128.271 128.271 123.298 4.973 18393 1296 1 4 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.541 -0.067 18393 1297 1 4 . 1 1 25 25 ALA C C 39 174.351 174.351 176.401 -2.050 18393 1298 1 4 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.208 0.108 18393 1299 1 4 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.528 -1.417 18393 1300 1 4 . 1 1 25 25 ALA H H 39 7.697 7.697 7.375 0.322 18393 1301 1 4 . 1 1 26 26 LYS N N 40 121.927 121.927 119.769 2.158 18393 1302 1 4 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.162 -0.044 18393 1303 1 4 . 1 1 26 26 LYS C C 40 177.551 177.551 175.412 2.139 18393 1304 1 4 . 1 1 26 26 LYS CA C 40 56.144 56.144 55.297 0.848 18393 1305 1 4 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.050 1.022 18393 1306 1 4 . 1 1 26 26 LYS H H 40 7.990 7.990 8.258 -0.268 18393 1307 1 4 . 1 1 27 27 ARG N N 41 119.572 119.572 118.857 0.715 18393 1308 1 4 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.115 0.523 18393 1309 1 4 . 1 1 27 27 ARG C C 41 174.770 174.770 175.539 -0.769 18393 1310 1 4 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.795 -2.317 18393 1311 1 4 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.952 2.438 18393 1312 1 4 . 1 1 27 27 ARG H H 41 8.296 8.296 7.511 0.785 18393 1313 1 4 . 1 1 28 28 PHE N N 42 120.381 120.381 123.876 -3.495 18393 1314 1 4 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.328 -0.281 18393 1315 1 4 . 1 1 28 28 PHE C C 42 174.407 174.407 175.831 -1.424 18393 1316 1 4 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.297 1.728 18393 1317 1 4 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.483 2.646 18393 1318 1 4 . 1 1 28 28 PHE H H 42 9.339 9.339 9.047 0.292 18393 1319 1 4 . 1 1 29 29 THR N N 43 117.999 117.999 118.719 -0.720 18393 1320 1 4 . 1 1 29 29 THR HA H 43 4.704 4.704 4.841 -0.137 18393 1321 1 4 . 1 1 29 29 THR C C 43 173.713 173.713 173.257 0.456 18393 1322 1 4 . 1 1 29 29 THR CA C 43 62.117 62.117 61.801 0.316 18393 1323 1 4 . 1 1 29 29 THR CB C 43 70.104 70.104 71.023 -0.919 18393 1324 1 4 . 1 1 29 29 THR H H 43 8.949 8.949 9.245 -0.296 18393 1325 1 4 . 1 1 30 30 PHE N N 44 129.592 129.592 126.153 3.439 18393 1326 1 4 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.009 0.386 18393 1327 1 4 . 1 1 30 30 PHE C C 44 173.221 173.221 172.794 0.427 18393 1328 1 4 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.265 0.158 18393 1329 1 4 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.808 1.109 18393 1330 1 4 . 1 1 30 30 PHE H H 44 10.048 10.048 8.792 1.256 18393 1331 1 4 . 1 1 31 31 GLY N N 45 105.921 105.921 108.743 -2.822 18393 1332 1 4 . 1 1 31 31 GLY C C 45 172.774 172.774 171.461 1.313 18393 1333 1 4 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.375 0.163 18393 1334 1 4 . 1 1 31 31 GLY H H 45 9.290 9.290 7.790 1.500 18393 1335 1 4 . 1 1 32 32 VAL N N 46 121.311 121.311 121.392 -0.081 18393 1336 1 4 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.757 0.593 18393 1337 1 4 . 1 1 32 32 VAL C C 46 171.140 171.140 174.883 -3.743 18393 1338 1 4 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.683 -0.851 18393 1339 1 4 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.371 2.016 18393 1340 1 4 . 1 1 32 32 VAL H H 46 8.906 8.906 7.789 1.117 18393 1341 1 4 . 1 1 33 33 ARG N N 47 122.102 122.102 119.980 2.122 18393 1342 1 4 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.155 -0.584 18393 1343 1 4 . 1 1 33 33 ARG C C 47 173.683 173.683 174.450 -0.767 18393 1344 1 4 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.619 0.339 18393 1345 1 4 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.920 1.796 18393 1346 1 4 . 1 1 33 33 ARG H H 47 8.008 8.008 7.863 0.145 18393 1347 1 4 . 1 1 34 34 VAL N N 48 117.391 117.391 121.266 -3.875 18393 1348 1 4 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.509 0.278 18393 1349 1 4 . 1 1 34 34 VAL C C 48 172.777 172.777 174.247 -1.470 18393 1350 1 4 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.079 -0.109 18393 1351 1 4 . 1 1 34 34 VAL CB C 48 36.312 36.312 35.683 0.629 18393 1352 1 4 . 1 1 34 34 VAL H H 48 8.103 8.103 9.282 -1.179 18393 1353 1 4 . 1 1 35 35 ASN N N 49 127.065 127.065 122.895 4.170 18393 1354 1 4 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.577 -1.041 18393 1355 1 4 . 1 1 35 35 ASN C C 49 174.221 174.221 174.131 0.090 18393 1356 1 4 . 1 1 35 35 ASN CA C 49 50.607 50.607 52.557 -1.950 18393 1357 1 4 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.750 -3.008 18393 1358 1 4 . 1 1 35 35 ASN H H 49 8.543 8.543 8.521 0.022 18393 1359 1 4 . 1 1 36 36 THR N N 50 114.402 114.402 114.776 -0.374 18393 1360 1 4 . 1 1 36 36 THR HA H 50 2.159 2.159 3.024 -0.865 18393 1361 1 4 . 1 1 36 36 THR C C 50 175.168 175.168 175.749 -0.581 18393 1362 1 4 . 1 1 36 36 THR CA C 50 61.126 61.126 61.562 -0.436 18393 1363 1 4 . 1 1 36 36 THR CB C 50 69.987 69.987 68.988 0.999 18393 1364 1 4 . 1 1 36 36 THR H H 50 6.801 6.801 7.743 -0.942 18393 1365 1 4 . 1 1 37 37 SER N N 51 114.587 114.587 120.958 -6.371 18393 1366 1 4 . 1 1 37 37 SER HA H 51 4.105 4.105 4.088 0.017 18393 1367 1 4 . 1 1 37 37 SER C C 51 174.760 174.760 174.811 -0.051 18393 1368 1 4 . 1 1 37 37 SER CA C 51 59.958 59.958 61.413 -1.454 18393 1369 1 4 . 1 1 37 37 SER CB C 51 63.115 63.115 63.063 0.052 18393 1370 1 4 . 1 1 37 37 SER H H 51 6.797 6.797 8.634 -1.837 18393 1371 1 4 . 1 1 38 38 ASP N N 52 117.329 117.329 118.464 -1.135 18393 1372 1 4 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.651 -0.062 18393 1373 1 4 . 1 1 38 38 ASP C C 52 177.236 177.236 176.373 0.863 18393 1374 1 4 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.395 0.155 18393 1375 1 4 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.945 -0.339 18393 1376 1 4 . 1 1 38 38 ASP H H 52 8.784 8.784 8.230 0.554 18393 1377 1 4 . 1 1 39 39 ARG N N 53 118.330 118.330 118.688 -0.358 18393 1378 1 4 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.560 -0.064 18393 1379 1 4 . 1 1 39 39 ARG C C 53 176.062 176.062 176.458 -0.396 18393 1380 1 4 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.506 -1.456 18393 1381 1 4 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.725 -2.284 18393 1382 1 4 . 1 1 39 39 ARG H H 53 7.666 7.666 7.966 -0.300 18393 1383 1 4 . 1 1 40 40 GLY N N 54 110.510 110.510 106.999 3.511 18393 1384 1 4 . 1 1 40 40 GLY C C 54 177.680 177.680 172.331 5.349 18393 1385 1 4 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.296 0.381 18393 1386 1 4 . 1 1 40 40 GLY H H 54 7.248 7.248 7.860 -0.612 18393 1387 1 4 . 1 1 41 41 TRP N N 55 123.328 123.328 123.592 -0.264 18393 1388 1 4 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.650 0.269 18393 1389 1 4 . 1 1 41 41 TRP C C 55 178.873 178.873 177.251 1.622 18393 1390 1 4 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.744 0.373 18393 1391 1 4 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.579 0.195 18393 1392 1 4 . 1 1 41 41 TRP H H 55 8.289 8.289 8.320 -0.031 18393 1393 1 4 . 1 1 42 42 THR N N 56 114.627 114.627 117.861 -3.234 18393 1394 1 4 . 1 1 42 42 THR HA H 56 4.329 4.329 4.346 -0.017 18393 1395 1 4 . 1 1 42 42 THR C C 56 175.261 175.261 174.843 0.418 18393 1396 1 4 . 1 1 42 42 THR CA C 56 61.698 61.698 61.321 0.377 18393 1397 1 4 . 1 1 42 42 THR CB C 56 72.359 72.359 70.047 2.312 18393 1398 1 4 . 1 1 42 42 THR H H 56 8.972 8.972 8.568 0.404 18393 1399 1 4 . 1 1 43 43 ASP N N 57 120.151 120.151 122.163 -2.012 18393 1400 1 4 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.475 -0.030 18393 1401 1 4 . 1 1 43 43 ASP C C 57 175.710 175.710 176.574 -0.864 18393 1402 1 4 . 1 1 43 43 ASP CA C 57 55.377 55.377 55.255 0.122 18393 1403 1 4 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.237 -0.365 18393 1404 1 4 . 1 1 43 43 ASP H H 57 8.379 8.379 8.418 -0.039 18393 1405 1 4 . 1 1 44 44 GLU N N 58 122.449 122.449 123.988 -1.539 18393 1406 1 4 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.410 0.055 18393 1407 1 4 . 1 1 44 44 GLU C C 58 176.412 176.412 176.804 -0.392 18393 1408 1 4 . 1 1 44 44 GLU CA C 58 55.471 55.471 57.007 -1.536 18393 1409 1 4 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.873 1.185 18393 1410 1 4 . 1 1 44 44 GLU H H 58 8.581 8.581 8.571 0.010 18393 1411 1 4 . 1 1 45 45 CYS N N 59 126.725 126.725 127.902 -1.177 18393 1412 1 4 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.468 0.227 18393 1413 1 4 . 1 1 45 45 CYS C C 59 173.364 173.364 174.167 -0.803 18393 1414 1 4 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.597 1.323 18393 1415 1 4 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.928 3.756 18393 1416 1 4 . 1 1 45 45 CYS H H 59 8.671 8.671 8.863 -0.192 18393 1417 1 4 . 1 1 46 46 ILE N N 60 126.614 126.614 126.641 -0.027 18393 1418 1 4 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.156 0.537 18393 1419 1 4 . 1 1 46 46 ILE C C 60 176.175 176.175 176.755 -0.580 18393 1420 1 4 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.396 0.380 18393 1421 1 4 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.019 1.327 18393 1422 1 4 . 1 1 46 46 ILE H H 60 8.735 8.735 7.884 0.851 18393 1423 1 4 . 1 1 47 47 GLY N N 61 112.366 112.366 116.942 -4.576 18393 1424 1 4 . 1 1 47 47 GLY C C 61 171.844 171.844 173.587 -1.743 18393 1425 1 4 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.233 0.050 18393 1426 1 4 . 1 1 47 47 GLY H H 61 8.610 8.610 8.724 -0.114 18393 1427 1 4 . 1 1 48 48 GLU N N 62 115.030 115.030 120.094 -5.064 18393 1428 1 4 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.696 -0.151 18393 1429 1 4 . 1 1 48 48 GLU C C 62 174.927 174.927 174.947 -0.020 18393 1430 1 4 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.739 0.143 18393 1431 1 4 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.209 0.141 18393 1432 1 4 . 1 1 48 48 GLU H H 62 8.214 8.214 8.315 -0.101 18393 1433 1 4 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.569 0.295 18393 1434 1 4 . 1 1 49 49 PRO C C 63 178.286 178.286 175.931 2.355 18393 1435 1 4 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.168 -0.908 18393 1436 1 4 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.627 -0.360 18393 1437 1 4 . 1 1 50 50 MET N N 64 123.505 123.505 123.949 -0.444 18393 1438 1 4 . 1 1 50 50 MET HA H 64 5.530 5.530 4.949 0.581 18393 1439 1 4 . 1 1 50 50 MET C C 64 176.337 176.337 174.816 1.521 18393 1440 1 4 . 1 1 50 50 MET CA C 64 51.674 51.674 51.619 0.055 18393 1441 1 4 . 1 1 50 50 MET CB C 64 37.597 37.597 33.431 4.166 18393 1442 1 4 . 1 1 50 50 MET H H 64 9.267 9.267 8.931 0.336 18393 1443 1 4 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.376 0.710 18393 1444 1 4 . 1 1 51 51 PRO C C 65 174.862 174.862 175.454 -0.592 18393 1445 1 4 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.070 0.596 18393 1446 1 4 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.601 0.926 18393 1447 1 4 . 1 1 52 52 SER N N 66 109.598 109.598 113.235 -3.637 18393 1448 1 4 . 1 1 52 52 SER HA H 66 4.813 4.813 4.979 -0.166 18393 1449 1 4 . 1 1 52 52 SER C C 66 173.368 173.368 174.503 -1.135 18393 1450 1 4 . 1 1 52 52 SER CA C 66 55.463 55.463 57.036 -1.573 18393 1451 1 4 . 1 1 52 52 SER CB C 66 66.775 66.775 66.837 -0.062 18393 1452 1 4 . 1 1 52 52 SER H H 66 7.165 7.165 7.385 -0.220 18393 1453 1 4 . 1 1 53 53 VAL N N 67 124.347 124.347 123.250 1.097 18393 1454 1 4 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.893 -1.063 18393 1455 1 4 . 1 1 53 53 VAL C C 67 177.116 177.116 176.943 0.173 18393 1456 1 4 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.094 1.735 18393 1457 1 4 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.633 -0.309 18393 1458 1 4 . 1 1 53 53 VAL H H 67 8.522 8.522 8.775 -0.253 18393 1459 1 4 . 1 1 54 54 LYS N N 68 118.639 118.639 120.067 -1.428 18393 1460 1 4 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.054 -0.585 18393 1461 1 4 . 1 1 54 54 LYS C C 68 178.286 178.286 178.515 -0.229 18393 1462 1 4 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.848 0.502 18393 1463 1 4 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.936 0.428 18393 1464 1 4 . 1 1 54 54 LYS H H 68 8.098 8.098 8.576 -0.478 18393 1465 1 4 . 1 1 55 55 LYS N N 69 115.388 115.388 118.531 -3.143 18393 1466 1 4 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.325 -0.231 18393 1467 1 4 . 1 1 55 55 LYS C C 69 179.694 179.694 178.542 1.152 18393 1468 1 4 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.301 0.527 18393 1469 1 4 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.061 0.778 18393 1470 1 4 . 1 1 55 55 LYS H H 69 7.499 7.499 7.585 -0.086 18393 1471 1 4 . 1 1 56 56 ALA N N 70 124.226 124.226 124.907 -0.681 18393 1472 1 4 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.192 -0.043 18393 1473 1 4 . 1 1 56 56 ALA C C 70 181.217 181.217 179.427 1.790 18393 1474 1 4 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.283 0.433 18393 1475 1 4 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.552 1.958 18393 1476 1 4 . 1 1 56 56 ALA H H 70 8.296 8.296 8.098 0.198 18393 1477 1 4 . 1 1 57 57 LYS N N 71 120.522 120.522 118.040 2.482 18393 1478 1 4 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.174 -0.531 18393 1479 1 4 . 1 1 57 57 LYS C C 71 177.937 177.937 178.855 -0.918 18393 1480 1 4 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.192 0.895 18393 1481 1 4 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.007 0.121 18393 1482 1 4 . 1 1 57 57 LYS H H 71 8.385 8.385 7.591 0.794 18393 1483 1 4 . 1 1 58 58 ASP N N 72 119.428 119.428 118.794 0.634 18393 1484 1 4 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.367 -0.061 18393 1485 1 4 . 1 1 58 58 ASP C C 72 177.042 177.042 178.375 -1.333 18393 1486 1 4 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.685 0.455 18393 1487 1 4 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.778 -0.653 18393 1488 1 4 . 1 1 58 58 ASP H H 72 8.029 8.029 7.899 0.130 18393 1489 1 4 . 1 1 59 59 SER N N 73 111.435 111.435 115.388 -3.953 18393 1490 1 4 . 1 1 59 59 SER HA H 73 4.243 4.243 4.180 0.063 18393 1491 1 4 . 1 1 59 59 SER C C 73 177.000 177.000 176.485 0.515 18393 1492 1 4 . 1 1 59 59 SER CA C 73 63.579 63.579 61.390 2.189 18393 1493 1 4 . 1 1 59 59 SER CB C 73 60.947 60.947 63.027 -2.080 18393 1494 1 4 . 1 1 59 59 SER H H 73 7.785 7.785 8.138 -0.353 18393 1495 1 4 . 1 1 60 60 ALA N N 74 120.363 120.363 123.816 -3.453 18393 1496 1 4 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.987 -0.024 18393 1497 1 4 . 1 1 60 60 ALA C C 74 178.170 178.170 179.433 -1.263 18393 1498 1 4 . 1 1 60 60 ALA CA C 74 55.498 55.498 55.069 0.429 18393 1499 1 4 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.348 -0.437 18393 1500 1 4 . 1 1 60 60 ALA H H 74 7.472 7.472 7.820 -0.348 18393 1501 1 4 . 1 1 61 61 ALA N N 75 118.116 118.116 121.395 -3.279 18393 1502 1 4 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.026 -0.078 18393 1503 1 4 . 1 1 61 61 ALA C C 75 179.341 179.341 179.246 0.095 18393 1504 1 4 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.377 0.283 18393 1505 1 4 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.515 0.427 18393 1506 1 4 . 1 1 61 61 ALA H H 75 8.653 8.653 8.767 -0.114 18393 1507 1 4 . 1 1 62 62 VAL N N 76 115.858 115.858 117.410 -1.552 18393 1508 1 4 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.875 -0.219 18393 1509 1 4 . 1 1 62 62 VAL C C 76 178.051 178.051 177.358 0.693 18393 1510 1 4 . 1 1 62 62 VAL CA C 76 66.651 66.651 64.616 2.035 18393 1511 1 4 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.475 0.372 18393 1512 1 4 . 1 1 62 62 VAL H H 76 8.124 8.124 7.820 0.304 18393 1513 1 4 . 1 1 63 63 LEU N N 77 119.881 119.881 118.857 1.024 18393 1514 1 4 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.138 0.051 18393 1515 1 4 . 1 1 63 63 LEU C C 77 179.692 179.692 179.127 0.565 18393 1516 1 4 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.045 0.539 18393 1517 1 4 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.839 0.077 18393 1518 1 4 . 1 1 63 63 LEU H H 77 7.038 7.038 7.317 -0.279 18393 1519 1 4 . 1 1 64 64 LEU N N 78 122.083 122.083 121.763 0.320 18393 1520 1 4 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.122 0.406 18393 1521 1 4 . 1 1 64 64 LEU C C 78 178.601 178.601 178.583 0.018 18393 1522 1 4 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.599 -0.141 18393 1523 1 4 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.031 -0.776 18393 1524 1 4 . 1 1 64 64 LEU H H 78 7.694 7.694 8.148 -0.454 18393 1525 1 4 . 1 1 65 65 LEU N N 79 120.548 120.548 116.989 3.559 18393 1526 1 4 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.106 -0.242 18393 1527 1 4 . 1 1 65 65 LEU C C 79 178.861 178.861 178.152 0.709 18393 1528 1 4 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.319 1.158 18393 1529 1 4 . 1 1 65 65 LEU CB C 79 41.618 41.618 40.853 0.765 18393 1530 1 4 . 1 1 65 65 LEU H H 79 8.671 8.671 8.216 0.455 18393 1531 1 4 . 1 1 66 66 GLU N N 80 117.398 117.398 117.878 -0.480 18393 1532 1 4 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.117 -0.058 18393 1533 1 4 . 1 1 66 66 GLU C C 80 178.957 178.957 178.795 0.162 18393 1534 1 4 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.815 0.521 18393 1535 1 4 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.604 -0.223 18393 1536 1 4 . 1 1 66 66 GLU H H 80 7.613 7.613 7.506 0.107 18393 1537 1 4 . 1 1 67 67 LEU N N 81 120.633 120.633 120.485 0.148 18393 1538 1 4 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.257 -0.097 18393 1539 1 4 . 1 1 67 67 LEU C C 81 180.162 180.162 178.387 1.775 18393 1540 1 4 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.149 0.964 18393 1541 1 4 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.224 -0.167 18393 1542 1 4 . 1 1 67 67 LEU H H 81 7.656 7.656 7.381 0.275 18393 1543 1 4 . 1 1 68 68 LEU N N 82 118.949 118.949 115.836 3.113 18393 1544 1 4 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.361 -0.198 18393 1545 1 4 . 1 1 68 68 LEU C C 82 178.289 178.289 177.019 1.270 18393 1546 1 4 . 1 1 68 68 LEU CA C 82 57.855 57.855 55.855 2.000 18393 1547 1 4 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.234 0.784 18393 1548 1 4 . 1 1 68 68 LEU H H 82 8.583 8.583 7.843 0.740 18393 1549 1 4 . 1 1 69 69 ASN N N 83 116.570 116.570 115.880 0.690 18393 1550 1 4 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.773 -0.044 18393 1551 1 4 . 1 1 69 69 ASN C C 83 174.784 174.784 175.123 -0.339 18393 1552 1 4 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.584 0.154 18393 1553 1 4 . 1 1 69 69 ASN CB C 83 39.148 39.148 40.704 -1.556 18393 1554 1 4 . 1 1 69 69 ASN H H 83 7.920 7.920 7.727 0.193 18393 1555 1 4 . 1 1 70 70 LYS N N 84 120.363 120.363 118.896 1.467 18393 1556 1 4 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.696 -0.292 18393 1557 1 4 . 1 1 70 70 LYS C C 84 175.910 175.910 174.282 1.628 18393 1558 1 4 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.841 0.995 18393 1559 1 4 . 1 1 70 70 LYS CB C 84 32.999 32.999 36.901 -3.902 18393 1560 1 4 . 1 1 70 70 LYS H H 84 7.593 7.593 8.041 -0.448 18393 1561 1 5 . 1 1 2 2 ASP N N 16 119.381 119.381 121.894 -2.513 18393 1562 1 5 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.609 -0.269 18393 1563 1 5 . 1 1 2 2 ASP C C 16 178.935 178.935 178.275 0.660 18393 1564 1 5 . 1 1 2 2 ASP CA C 16 57.708 57.708 56.211 1.497 18393 1565 1 5 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.123 0.558 18393 1566 1 5 . 1 1 2 2 ASP H H 16 8.320 8.320 8.732 -0.412 18393 1567 1 5 . 1 1 3 3 ILE N N 17 121.475 121.475 120.561 0.914 18393 1568 1 5 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.809 -0.263 18393 1569 1 5 . 1 1 3 3 ILE C C 17 177.116 177.116 177.939 -0.823 18393 1570 1 5 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.020 1.213 18393 1571 1 5 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.623 0.078 18393 1572 1 5 . 1 1 3 3 ILE H H 17 7.793 7.793 8.260 -0.467 18393 1573 1 5 . 1 1 4 4 CYS N N 18 117.506 117.506 117.832 -0.326 18393 1574 1 5 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.303 -0.361 18393 1575 1 5 . 1 1 4 4 CYS C C 18 176.671 176.671 176.961 -0.290 18393 1576 1 5 . 1 1 4 4 CYS CA C 18 64.624 64.624 63.616 1.008 18393 1577 1 5 . 1 1 4 4 CYS CB C 18 25.965 25.965 27.132 -1.167 18393 1578 1 5 . 1 1 4 4 CYS H H 18 7.823 7.823 8.005 -0.182 18393 1579 1 5 . 1 1 5 5 LEU N N 19 118.832 118.832 122.421 -3.589 18393 1580 1 5 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.200 -0.104 18393 1581 1 5 . 1 1 5 5 LEU C C 19 180.698 180.698 179.507 1.191 18393 1582 1 5 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.814 0.123 18393 1583 1 5 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.929 0.137 18393 1584 1 5 . 1 1 5 5 LEU H H 19 8.101 8.101 8.414 -0.313 18393 1585 1 5 . 1 1 6 6 ARG N N 20 119.443 119.443 120.020 -0.577 18393 1586 1 5 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.993 -0.059 18393 1587 1 5 . 1 1 6 6 ARG C C 20 178.169 178.169 177.659 0.510 18393 1588 1 5 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.606 0.269 18393 1589 1 5 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.196 -0.216 18393 1590 1 5 . 1 1 6 6 ARG H H 20 7.934 7.934 8.049 -0.115 18393 1591 1 5 . 1 1 7 7 LYS N N 21 116.636 116.636 116.154 0.482 18393 1592 1 5 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.917 -0.144 18393 1593 1 5 . 1 1 7 7 LYS C C 21 175.224 175.224 175.421 -0.197 18393 1594 1 5 . 1 1 7 7 LYS CA C 21 55.078 55.078 54.993 0.085 18393 1595 1 5 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.570 -0.053 18393 1596 1 5 . 1 1 7 7 LYS H H 21 7.553 7.553 7.445 0.108 18393 1597 1 5 . 1 1 8 8 ASN N N 22 114.898 114.898 114.945 -0.047 18393 1598 1 5 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.420 -0.118 18393 1599 1 5 . 1 1 8 8 ASN C C 22 174.073 174.073 174.383 -0.310 18393 1600 1 5 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.108 0.325 18393 1601 1 5 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.452 -0.435 18393 1602 1 5 . 1 1 8 8 ASN H H 22 7.640 7.640 7.453 0.187 18393 1603 1 5 . 1 1 9 9 TRP N N 23 120.563 120.563 119.081 1.482 18393 1604 1 5 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.127 0.114 18393 1605 1 5 . 1 1 9 9 TRP C C 23 173.601 173.601 174.862 -1.261 18393 1606 1 5 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.184 -2.364 18393 1607 1 5 . 1 1 9 9 TRP CB C 23 29.574 29.574 29.100 0.474 18393 1608 1 5 . 1 1 9 9 TRP H H 23 8.692 8.692 8.273 0.419 18393 1609 1 5 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.452 0.007 18393 1610 1 5 . 1 1 10 10 PRO C C 24 175.391 175.391 176.381 -0.990 18393 1611 1 5 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.365 -0.267 18393 1612 1 5 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.608 -1.026 18393 1613 1 5 . 1 1 11 11 MET N N 25 116.562 116.562 117.418 -0.856 18393 1614 1 5 . 1 1 11 11 MET HA H 25 4.751 4.751 4.740 0.011 18393 1615 1 5 . 1 1 11 11 MET C C 25 175.240 175.240 174.985 0.255 18393 1616 1 5 . 1 1 11 11 MET CA C 25 53.800 53.800 52.916 0.884 18393 1617 1 5 . 1 1 11 11 MET CB C 25 30.695 30.695 30.744 -0.049 18393 1618 1 5 . 1 1 11 11 MET H H 25 8.201 8.201 8.497 -0.296 18393 1619 1 5 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.906 -0.582 18393 1620 1 5 . 1 1 12 12 PRO C C 26 174.890 174.890 175.859 -0.969 18393 1621 1 5 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.331 1.150 18393 1622 1 5 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.969 -0.244 18393 1623 1 5 . 1 1 13 13 SER N N 27 116.608 116.608 115.915 0.693 18393 1624 1 5 . 1 1 13 13 SER HA H 27 4.781 4.781 4.645 0.136 18393 1625 1 5 . 1 1 13 13 SER C C 27 173.365 173.365 173.517 -0.152 18393 1626 1 5 . 1 1 13 13 SER CA C 27 57.219 57.219 58.508 -1.289 18393 1627 1 5 . 1 1 13 13 SER CB C 27 64.227 64.227 63.999 0.228 18393 1628 1 5 . 1 1 13 13 SER H H 27 8.555 8.555 8.759 -0.204 18393 1629 1 5 . 1 1 14 14 TYR N N 28 125.256 125.256 122.889 2.367 18393 1630 1 5 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.088 0.533 18393 1631 1 5 . 1 1 14 14 TYR C C 28 176.175 176.175 174.658 1.517 18393 1632 1 5 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.928 -0.366 18393 1633 1 5 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.956 0.905 18393 1634 1 5 . 1 1 14 14 TYR H H 28 8.939 8.939 8.575 0.364 18393 1635 1 5 . 1 1 15 15 ARG N N 29 120.540 120.540 125.448 -4.908 18393 1636 1 5 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.621 -0.079 18393 1637 1 5 . 1 1 15 15 ARG C C 29 173.134 173.134 174.652 -1.518 18393 1638 1 5 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.406 -0.586 18393 1639 1 5 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.369 0.352 18393 1640 1 5 . 1 1 15 15 ARG H H 29 9.159 9.159 9.185 -0.026 18393 1641 1 5 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.542 -1.645 18393 1642 1 5 . 1 1 16 16 CYS C C 30 174.180 174.180 175.946 -1.766 18393 1643 1 5 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.213 -1.494 18393 1644 1 5 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.053 -1.947 18393 1645 1 5 . 1 1 17 17 VAL N N 31 132.259 132.259 123.312 8.947 18393 1646 1 5 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.184 -0.533 18393 1647 1 5 . 1 1 17 17 VAL C C 31 175.711 175.711 175.359 0.352 18393 1648 1 5 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.657 0.429 18393 1649 1 5 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.508 0.004 18393 1650 1 5 . 1 1 17 17 VAL H H 31 8.659 8.659 8.572 0.087 18393 1651 1 5 . 1 1 18 18 LYS N N 32 118.630 118.630 121.824 -3.194 18393 1652 1 5 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.574 -0.214 18393 1653 1 5 . 1 1 18 18 LYS C C 32 173.015 173.015 174.313 -1.298 18393 1654 1 5 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.896 0.506 18393 1655 1 5 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.672 1.332 18393 1656 1 5 . 1 1 18 18 LYS H H 32 7.673 7.673 8.237 -0.564 18393 1657 1 5 . 1 1 19 19 GLU N N 33 125.800 125.800 126.796 -0.996 18393 1658 1 5 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.630 0.223 18393 1659 1 5 . 1 1 19 19 GLU C C 33 175.060 175.060 175.831 -0.771 18393 1660 1 5 . 1 1 19 19 GLU CA C 33 54.564 54.564 56.356 -1.792 18393 1661 1 5 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.767 -0.630 18393 1662 1 5 . 1 1 19 19 GLU H H 33 8.431 8.431 8.783 -0.352 18393 1663 1 5 . 1 1 20 20 GLY N N 34 111.079 111.079 114.590 -3.511 18393 1664 1 5 . 1 1 20 20 GLY C C 34 172.318 172.318 173.972 -1.654 18393 1665 1 5 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.733 -1.092 18393 1666 1 5 . 1 1 20 20 GLY H H 34 8.345 8.345 8.658 -0.313 18393 1667 1 5 . 1 1 21 21 GLY N N 35 107.395 107.395 109.271 -1.876 18393 1668 1 5 . 1 1 21 21 GLY C C 35 171.757 171.757 172.553 -0.796 18393 1669 1 5 . 1 1 21 21 GLY CA C 35 43.737 43.737 43.694 0.043 18393 1670 1 5 . 1 1 21 21 GLY H H 35 8.184 8.184 8.093 0.091 18393 1671 1 5 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.300 0.176 18393 1672 1 5 . 1 1 22 22 PRO C C 36 177.171 177.171 176.043 1.128 18393 1673 1 5 . 1 1 22 22 PRO CA C 36 62.263 62.263 63.531 -1.268 18393 1674 1 5 . 1 1 22 22 PRO CB C 36 32.261 32.261 29.260 3.001 18393 1675 1 5 . 1 1 23 23 ALA N N 37 120.595 120.595 126.092 -5.497 18393 1676 1 5 . 1 1 23 23 ALA HA H 37 3.823 3.823 3.838 -0.015 18393 1677 1 5 . 1 1 23 23 ALA C C 37 178.547 178.547 177.802 0.745 18393 1678 1 5 . 1 1 23 23 ALA CA C 37 55.493 55.493 54.691 0.802 18393 1679 1 5 . 1 1 23 23 ALA CB C 37 18.551 18.551 17.127 1.424 18393 1680 1 5 . 1 1 23 23 ALA H H 37 8.580 8.580 8.660 -0.080 18393 1681 1 5 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.419 0.196 18393 1682 1 5 . 1 1 24 24 HIS C C 38 174.890 174.890 174.056 0.834 18393 1683 1 5 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.795 -0.934 18393 1684 1 5 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.336 1.024 18393 1685 1 5 . 1 1 25 25 ALA N N 39 128.271 128.271 120.637 7.634 18393 1686 1 5 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.475 -0.001 18393 1687 1 5 . 1 1 25 25 ALA C C 39 174.351 174.351 177.100 -2.749 18393 1688 1 5 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.283 0.033 18393 1689 1 5 . 1 1 25 25 ALA CB C 39 18.111 18.111 18.985 -0.874 18393 1690 1 5 . 1 1 25 25 ALA H H 39 7.697 7.697 7.867 -0.170 18393 1691 1 5 . 1 1 26 26 LYS N N 40 121.927 121.927 119.903 2.024 18393 1692 1 5 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.564 -0.446 18393 1693 1 5 . 1 1 26 26 LYS C C 40 177.551 177.551 174.821 2.730 18393 1694 1 5 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.886 1.258 18393 1695 1 5 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.621 0.451 18393 1696 1 5 . 1 1 26 26 LYS H H 40 7.990 7.990 7.691 0.299 18393 1697 1 5 . 1 1 27 27 ARG N N 41 119.572 119.572 118.669 0.903 18393 1698 1 5 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.219 0.419 18393 1699 1 5 . 1 1 27 27 ARG C C 41 174.770 174.770 175.694 -0.924 18393 1700 1 5 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.297 -1.819 18393 1701 1 5 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.544 2.846 18393 1702 1 5 . 1 1 27 27 ARG H H 41 8.296 8.296 7.387 0.909 18393 1703 1 5 . 1 1 28 28 PHE N N 42 120.381 120.381 124.032 -3.651 18393 1704 1 5 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.214 -0.167 18393 1705 1 5 . 1 1 28 28 PHE C C 42 174.407 174.407 175.586 -1.179 18393 1706 1 5 . 1 1 28 28 PHE CA C 42 57.026 57.026 54.721 2.305 18393 1707 1 5 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.508 2.621 18393 1708 1 5 . 1 1 28 28 PHE H H 42 9.339 9.339 8.863 0.476 18393 1709 1 5 . 1 1 29 29 THR N N 43 117.999 117.999 118.658 -0.659 18393 1710 1 5 . 1 1 29 29 THR HA H 43 4.704 4.704 4.818 -0.114 18393 1711 1 5 . 1 1 29 29 THR C C 43 173.713 173.713 173.088 0.625 18393 1712 1 5 . 1 1 29 29 THR CA C 43 62.117 62.117 61.828 0.289 18393 1713 1 5 . 1 1 29 29 THR CB C 43 70.104 70.104 71.059 -0.955 18393 1714 1 5 . 1 1 29 29 THR H H 43 8.949 8.949 9.177 -0.228 18393 1715 1 5 . 1 1 30 30 PHE N N 44 129.592 129.592 126.107 3.485 18393 1716 1 5 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.980 0.415 18393 1717 1 5 . 1 1 30 30 PHE C C 44 173.221 173.221 172.780 0.441 18393 1718 1 5 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.251 0.172 18393 1719 1 5 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.742 1.175 18393 1720 1 5 . 1 1 30 30 PHE H H 44 10.048 10.048 8.759 1.289 18393 1721 1 5 . 1 1 31 31 GLY N N 45 105.921 105.921 109.041 -3.120 18393 1722 1 5 . 1 1 31 31 GLY C C 45 172.774 172.774 171.879 0.895 18393 1723 1 5 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.334 0.204 18393 1724 1 5 . 1 1 31 31 GLY H H 45 9.290 9.290 7.882 1.408 18393 1725 1 5 . 1 1 32 32 VAL N N 46 121.311 121.311 120.662 0.649 18393 1726 1 5 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.655 0.695 18393 1727 1 5 . 1 1 32 32 VAL C C 46 171.140 171.140 174.886 -3.746 18393 1728 1 5 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.443 -0.611 18393 1729 1 5 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.060 2.327 18393 1730 1 5 . 1 1 32 32 VAL H H 46 8.906 8.906 7.880 1.026 18393 1731 1 5 . 1 1 33 33 ARG N N 47 122.102 122.102 122.455 -0.353 18393 1732 1 5 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.009 -0.438 18393 1733 1 5 . 1 1 33 33 ARG C C 47 173.683 173.683 174.778 -1.095 18393 1734 1 5 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.820 0.138 18393 1735 1 5 . 1 1 33 33 ARG CB C 47 35.716 35.716 34.398 1.317 18393 1736 1 5 . 1 1 33 33 ARG H H 47 8.008 8.008 7.886 0.122 18393 1737 1 5 . 1 1 34 34 VAL N N 48 117.391 117.391 121.851 -4.460 18393 1738 1 5 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.468 0.319 18393 1739 1 5 . 1 1 34 34 VAL C C 48 172.777 172.777 172.918 -0.141 18393 1740 1 5 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.370 -0.400 18393 1741 1 5 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.312 -0.000 18393 1742 1 5 . 1 1 34 34 VAL H H 48 8.103 8.103 9.177 -1.074 18393 1743 1 5 . 1 1 35 35 ASN N N 49 127.065 127.065 121.303 5.762 18393 1744 1 5 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.364 -0.828 18393 1745 1 5 . 1 1 35 35 ASN C C 49 174.221 174.221 174.348 -0.127 18393 1746 1 5 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.036 -0.429 18393 1747 1 5 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.319 -2.577 18393 1748 1 5 . 1 1 35 35 ASN H H 49 8.543 8.543 8.437 0.106 18393 1749 1 5 . 1 1 36 36 THR N N 50 114.402 114.402 116.229 -1.827 18393 1750 1 5 . 1 1 36 36 THR HA H 50 2.159 2.159 2.973 -0.814 18393 1751 1 5 . 1 1 36 36 THR C C 50 175.168 175.168 175.581 -0.413 18393 1752 1 5 . 1 1 36 36 THR CA C 50 61.126 61.126 61.785 -0.659 18393 1753 1 5 . 1 1 36 36 THR CB C 50 69.987 69.987 68.722 1.265 18393 1754 1 5 . 1 1 36 36 THR H H 50 6.801 6.801 7.848 -1.047 18393 1755 1 5 . 1 1 37 37 SER N N 51 114.587 114.587 120.105 -5.518 18393 1756 1 5 . 1 1 37 37 SER HA H 51 4.105 4.105 4.056 0.049 18393 1757 1 5 . 1 1 37 37 SER C C 51 174.760 174.760 174.730 0.030 18393 1758 1 5 . 1 1 37 37 SER CA C 51 59.958 59.958 61.350 -1.392 18393 1759 1 5 . 1 1 37 37 SER CB C 51 63.115 63.115 63.206 -0.091 18393 1760 1 5 . 1 1 37 37 SER H H 51 6.797 6.797 8.738 -1.941 18393 1761 1 5 . 1 1 38 38 ASP N N 52 117.329 117.329 117.195 0.134 18393 1762 1 5 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.616 -0.027 18393 1763 1 5 . 1 1 38 38 ASP C C 52 177.236 177.236 176.684 0.552 18393 1764 1 5 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.927 -0.377 18393 1765 1 5 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.758 -0.152 18393 1766 1 5 . 1 1 38 38 ASP H H 52 8.784 8.784 8.404 0.380 18393 1767 1 5 . 1 1 39 39 ARG N N 53 118.330 118.330 118.181 0.149 18393 1768 1 5 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.577 -0.081 18393 1769 1 5 . 1 1 39 39 ARG C C 53 176.062 176.062 176.445 -0.383 18393 1770 1 5 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.457 -1.407 18393 1771 1 5 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.787 -2.346 18393 1772 1 5 . 1 1 39 39 ARG H H 53 7.666 7.666 8.080 -0.414 18393 1773 1 5 . 1 1 40 40 GLY N N 54 110.510 110.510 107.104 3.406 18393 1774 1 5 . 1 1 40 40 GLY C C 54 177.680 177.680 172.774 4.906 18393 1775 1 5 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.279 0.398 18393 1776 1 5 . 1 1 40 40 GLY H H 54 7.248 7.248 7.867 -0.619 18393 1777 1 5 . 1 1 41 41 TRP N N 55 123.328 123.328 123.276 0.052 18393 1778 1 5 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.870 0.049 18393 1779 1 5 . 1 1 41 41 TRP C C 55 178.873 178.873 177.687 1.186 18393 1780 1 5 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.569 0.548 18393 1781 1 5 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.397 0.377 18393 1782 1 5 . 1 1 41 41 TRP H H 55 8.289 8.289 8.309 -0.020 18393 1783 1 5 . 1 1 42 42 THR N N 56 114.627 114.627 116.396 -1.769 18393 1784 1 5 . 1 1 42 42 THR HA H 56 4.329 4.329 4.258 0.071 18393 1785 1 5 . 1 1 42 42 THR C C 56 175.261 175.261 174.375 0.886 18393 1786 1 5 . 1 1 42 42 THR CA C 56 61.698 61.698 61.690 0.008 18393 1787 1 5 . 1 1 42 42 THR CB C 56 72.359 72.359 70.068 2.291 18393 1788 1 5 . 1 1 42 42 THR H H 56 8.972 8.972 8.676 0.296 18393 1789 1 5 . 1 1 43 43 ASP N N 57 120.151 120.151 120.538 -0.387 18393 1790 1 5 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.563 -0.118 18393 1791 1 5 . 1 1 43 43 ASP C C 57 175.710 175.710 176.035 -0.325 18393 1792 1 5 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.925 0.452 18393 1793 1 5 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.323 -0.451 18393 1794 1 5 . 1 1 43 43 ASP H H 57 8.379 8.379 8.471 -0.092 18393 1795 1 5 . 1 1 44 44 GLU N N 58 122.449 122.449 124.054 -1.605 18393 1796 1 5 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.468 -0.003 18393 1797 1 5 . 1 1 44 44 GLU C C 58 176.412 176.412 176.624 -0.212 18393 1798 1 5 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.734 -1.263 18393 1799 1 5 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.871 1.187 18393 1800 1 5 . 1 1 44 44 GLU H H 58 8.581 8.581 8.634 -0.053 18393 1801 1 5 . 1 1 45 45 CYS N N 59 126.725 126.725 126.913 -0.188 18393 1802 1 5 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.488 0.207 18393 1803 1 5 . 1 1 45 45 CYS C C 59 173.364 173.364 173.891 -0.527 18393 1804 1 5 . 1 1 45 45 CYS CA C 59 58.920 58.920 58.127 0.793 18393 1805 1 5 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.762 3.922 18393 1806 1 5 . 1 1 45 45 CYS H H 59 8.671 8.671 8.807 -0.136 18393 1807 1 5 . 1 1 46 46 ILE N N 60 126.614 126.614 126.801 -0.187 18393 1808 1 5 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.283 0.410 18393 1809 1 5 . 1 1 46 46 ILE C C 60 176.175 176.175 176.686 -0.511 18393 1810 1 5 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.197 0.579 18393 1811 1 5 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.211 1.135 18393 1812 1 5 . 1 1 46 46 ILE H H 60 8.735 8.735 7.916 0.819 18393 1813 1 5 . 1 1 47 47 GLY N N 61 112.366 112.366 116.680 -4.314 18393 1814 1 5 . 1 1 47 47 GLY C C 61 171.844 171.844 173.667 -1.823 18393 1815 1 5 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.104 0.179 18393 1816 1 5 . 1 1 47 47 GLY H H 61 8.610 8.610 8.721 -0.111 18393 1817 1 5 . 1 1 48 48 GLU N N 62 115.030 115.030 120.048 -5.018 18393 1818 1 5 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.601 -0.056 18393 1819 1 5 . 1 1 48 48 GLU C C 62 174.927 174.927 174.707 0.220 18393 1820 1 5 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.352 -0.471 18393 1821 1 5 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.911 0.438 18393 1822 1 5 . 1 1 48 48 GLU H H 62 8.214 8.214 8.198 0.016 18393 1823 1 5 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.501 0.363 18393 1824 1 5 . 1 1 49 49 PRO C C 63 178.286 178.286 176.137 2.149 18393 1825 1 5 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.595 -1.335 18393 1826 1 5 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.712 -0.445 18393 1827 1 5 . 1 1 50 50 MET N N 64 123.505 123.505 125.010 -1.505 18393 1828 1 5 . 1 1 50 50 MET HA H 64 5.530 5.530 4.919 0.611 18393 1829 1 5 . 1 1 50 50 MET C C 64 176.337 176.337 174.954 1.383 18393 1830 1 5 . 1 1 50 50 MET CA C 64 51.674 51.674 51.443 0.231 18393 1831 1 5 . 1 1 50 50 MET CB C 64 37.597 37.597 33.864 3.733 18393 1832 1 5 . 1 1 50 50 MET H H 64 9.267 9.267 8.753 0.514 18393 1833 1 5 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.176 0.910 18393 1834 1 5 . 1 1 51 51 PRO C C 65 174.862 174.862 175.943 -1.081 18393 1835 1 5 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.769 0.897 18393 1836 1 5 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.310 1.217 18393 1837 1 5 . 1 1 52 52 SER N N 66 109.598 109.598 111.953 -2.355 18393 1838 1 5 . 1 1 52 52 SER HA H 66 4.813 4.813 4.900 -0.087 18393 1839 1 5 . 1 1 52 52 SER C C 66 173.368 173.368 174.563 -1.195 18393 1840 1 5 . 1 1 52 52 SER CA C 66 55.463 55.463 56.589 -1.126 18393 1841 1 5 . 1 1 52 52 SER CB C 66 66.775 66.775 66.001 0.774 18393 1842 1 5 . 1 1 52 52 SER H H 66 7.165 7.165 7.259 -0.094 18393 1843 1 5 . 1 1 53 53 VAL N N 67 124.347 124.347 123.598 0.749 18393 1844 1 5 . 1 1 53 53 VAL HA H 67 2.830 2.830 4.067 -1.237 18393 1845 1 5 . 1 1 53 53 VAL C C 67 177.116 177.116 176.716 0.400 18393 1846 1 5 . 1 1 53 53 VAL CA C 67 66.829 66.829 64.594 2.235 18393 1847 1 5 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.781 -0.457 18393 1848 1 5 . 1 1 53 53 VAL H H 67 8.522 8.522 8.925 -0.403 18393 1849 1 5 . 1 1 54 54 LYS N N 68 118.639 118.639 120.600 -1.961 18393 1850 1 5 . 1 1 54 54 LYS HA H 68 3.469 3.469 3.956 -0.487 18393 1851 1 5 . 1 1 54 54 LYS C C 68 178.286 178.286 178.167 0.119 18393 1852 1 5 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.944 0.406 18393 1853 1 5 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.436 -0.072 18393 1854 1 5 . 1 1 54 54 LYS H H 68 8.098 8.098 7.710 0.388 18393 1855 1 5 . 1 1 55 55 LYS N N 69 115.388 115.388 116.639 -1.251 18393 1856 1 5 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.349 -0.255 18393 1857 1 5 . 1 1 55 55 LYS C C 69 179.694 179.694 178.765 0.929 18393 1858 1 5 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.361 0.467 18393 1859 1 5 . 1 1 55 55 LYS CB C 69 32.839 32.839 31.991 0.848 18393 1860 1 5 . 1 1 55 55 LYS H H 69 7.499 7.499 7.739 -0.240 18393 1861 1 5 . 1 1 56 56 ALA N N 70 124.226 124.226 124.710 -0.484 18393 1862 1 5 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.213 -0.064 18393 1863 1 5 . 1 1 56 56 ALA C C 70 181.217 181.217 179.454 1.763 18393 1864 1 5 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.281 0.435 18393 1865 1 5 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.541 1.968 18393 1866 1 5 . 1 1 56 56 ALA H H 70 8.296 8.296 8.012 0.284 18393 1867 1 5 . 1 1 57 57 LYS N N 71 120.522 120.522 118.468 2.054 18393 1868 1 5 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.026 -0.383 18393 1869 1 5 . 1 1 57 57 LYS C C 71 177.937 177.937 179.033 -1.096 18393 1870 1 5 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.324 0.763 18393 1871 1 5 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.021 0.107 18393 1872 1 5 . 1 1 57 57 LYS H H 71 8.385 8.385 7.527 0.858 18393 1873 1 5 . 1 1 58 58 ASP N N 72 119.428 119.428 119.957 -0.529 18393 1874 1 5 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.468 -0.162 18393 1875 1 5 . 1 1 58 58 ASP C C 72 177.042 177.042 178.808 -1.766 18393 1876 1 5 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.672 0.467 18393 1877 1 5 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.586 -0.461 18393 1878 1 5 . 1 1 58 58 ASP H H 72 8.029 8.029 7.863 0.166 18393 1879 1 5 . 1 1 59 59 SER N N 73 111.435 111.435 115.721 -4.286 18393 1880 1 5 . 1 1 59 59 SER HA H 73 4.243 4.243 4.118 0.125 18393 1881 1 5 . 1 1 59 59 SER C C 73 177.000 177.000 176.357 0.643 18393 1882 1 5 . 1 1 59 59 SER CA C 73 63.579 63.579 61.657 1.922 18393 1883 1 5 . 1 1 59 59 SER CB C 73 60.947 60.947 63.229 -2.282 18393 1884 1 5 . 1 1 59 59 SER H H 73 7.785 7.785 8.217 -0.432 18393 1885 1 5 . 1 1 60 60 ALA N N 74 120.363 120.363 123.460 -3.097 18393 1886 1 5 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.995 -0.032 18393 1887 1 5 . 1 1 60 60 ALA C C 74 178.170 178.170 179.376 -1.206 18393 1888 1 5 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.936 0.562 18393 1889 1 5 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.310 -0.399 18393 1890 1 5 . 1 1 60 60 ALA H H 74 7.472 7.472 7.692 -0.220 18393 1891 1 5 . 1 1 61 61 ALA N N 75 118.116 118.116 121.821 -3.705 18393 1892 1 5 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.068 -0.120 18393 1893 1 5 . 1 1 61 61 ALA C C 75 179.341 179.341 179.748 -0.407 18393 1894 1 5 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.202 0.458 18393 1895 1 5 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.442 0.500 18393 1896 1 5 . 1 1 61 61 ALA H H 75 8.653 8.653 8.535 0.118 18393 1897 1 5 . 1 1 62 62 VAL N N 76 115.858 115.858 117.848 -1.990 18393 1898 1 5 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.659 -0.003 18393 1899 1 5 . 1 1 62 62 VAL C C 76 178.051 178.051 177.898 0.153 18393 1900 1 5 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.427 0.224 18393 1901 1 5 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.695 0.152 18393 1902 1 5 . 1 1 62 62 VAL H H 76 8.124 8.124 8.021 0.103 18393 1903 1 5 . 1 1 63 63 LEU N N 77 119.881 119.881 118.235 1.646 18393 1904 1 5 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.428 -0.239 18393 1905 1 5 . 1 1 63 63 LEU C C 77 179.692 179.692 179.492 0.200 18393 1906 1 5 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.568 1.016 18393 1907 1 5 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.557 0.359 18393 1908 1 5 . 1 1 63 63 LEU H H 77 7.038 7.038 7.330 -0.292 18393 1909 1 5 . 1 1 64 64 LEU N N 78 122.083 122.083 122.111 -0.028 18393 1910 1 5 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.151 0.377 18393 1911 1 5 . 1 1 64 64 LEU C C 78 178.601 178.601 178.469 0.132 18393 1912 1 5 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.715 -0.257 18393 1913 1 5 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.231 -0.977 18393 1914 1 5 . 1 1 64 64 LEU H H 78 7.694 7.694 8.321 -0.627 18393 1915 1 5 . 1 1 65 65 LEU N N 79 120.548 120.548 119.296 1.252 18393 1916 1 5 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.156 -0.292 18393 1917 1 5 . 1 1 65 65 LEU C C 79 178.861 178.861 178.901 -0.040 18393 1918 1 5 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.788 0.689 18393 1919 1 5 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.184 0.434 18393 1920 1 5 . 1 1 65 65 LEU H H 79 8.671 8.671 8.340 0.331 18393 1921 1 5 . 1 1 66 66 GLU N N 80 117.398 117.398 118.438 -1.040 18393 1922 1 5 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.166 -0.107 18393 1923 1 5 . 1 1 66 66 GLU C C 80 178.957 178.957 179.249 -0.292 18393 1924 1 5 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.201 1.135 18393 1925 1 5 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.461 -0.080 18393 1926 1 5 . 1 1 66 66 GLU H H 80 7.613 7.613 7.772 -0.159 18393 1927 1 5 . 1 1 67 67 LEU N N 81 120.633 120.633 122.544 -1.911 18393 1928 1 5 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.082 0.078 18393 1929 1 5 . 1 1 67 67 LEU C C 81 180.162 180.162 178.848 1.314 18393 1930 1 5 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.696 0.417 18393 1931 1 5 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.337 -0.280 18393 1932 1 5 . 1 1 67 67 LEU H H 81 7.656 7.656 7.370 0.286 18393 1933 1 5 . 1 1 68 68 LEU N N 82 118.949 118.949 116.832 2.117 18393 1934 1 5 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.278 -0.115 18393 1935 1 5 . 1 1 68 68 LEU C C 82 178.289 178.289 177.935 0.354 18393 1936 1 5 . 1 1 68 68 LEU CA C 82 57.855 57.855 56.567 1.288 18393 1937 1 5 . 1 1 68 68 LEU CB C 82 42.018 42.018 40.977 1.041 18393 1938 1 5 . 1 1 68 68 LEU H H 82 8.583 8.583 8.205 0.378 18393 1939 1 5 . 1 1 69 69 ASN N N 83 116.570 116.570 116.640 -0.070 18393 1940 1 5 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.709 0.020 18393 1941 1 5 . 1 1 69 69 ASN C C 83 174.784 174.784 175.496 -0.712 18393 1942 1 5 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.125 -0.386 18393 1943 1 5 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.443 -0.295 18393 1944 1 5 . 1 1 69 69 ASN H H 83 7.920 7.920 7.875 0.045 18393 1945 1 5 . 1 1 70 70 LYS N N 84 120.363 120.363 120.640 -0.277 18393 1946 1 5 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.565 -0.161 18393 1947 1 5 . 1 1 70 70 LYS C C 84 175.910 175.910 175.360 0.550 18393 1948 1 5 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.649 1.187 18393 1949 1 5 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.619 0.380 18393 1950 1 5 . 1 1 70 70 LYS H H 84 7.593 7.593 7.637 -0.044 18393 1951 1 6 . 1 1 2 2 ASP N N 16 119.381 119.381 122.021 -2.640 18393 1952 1 6 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.520 -0.180 18393 1953 1 6 . 1 1 2 2 ASP C C 16 178.935 178.935 178.374 0.561 18393 1954 1 6 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.463 0.245 18393 1955 1 6 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.571 0.110 18393 1956 1 6 . 1 1 2 2 ASP H H 16 8.320 8.320 8.591 -0.271 18393 1957 1 6 . 1 1 3 3 ILE N N 17 121.475 121.475 119.024 2.451 18393 1958 1 6 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.845 -0.299 18393 1959 1 6 . 1 1 3 3 ILE C C 17 177.116 177.116 177.749 -0.633 18393 1960 1 6 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.589 0.644 18393 1961 1 6 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.677 0.024 18393 1962 1 6 . 1 1 3 3 ILE H H 17 7.793 7.793 8.135 -0.342 18393 1963 1 6 . 1 1 4 4 CYS N N 18 117.506 117.506 118.532 -1.026 18393 1964 1 6 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.375 -0.433 18393 1965 1 6 . 1 1 4 4 CYS C C 18 176.671 176.671 176.675 -0.004 18393 1966 1 6 . 1 1 4 4 CYS CA C 18 64.624 64.624 61.964 2.660 18393 1967 1 6 . 1 1 4 4 CYS CB C 18 25.965 25.965 27.156 -1.191 18393 1968 1 6 . 1 1 4 4 CYS H H 18 7.823 7.823 7.820 0.003 18393 1969 1 6 . 1 1 5 5 LEU N N 19 118.832 118.832 122.380 -3.548 18393 1970 1 6 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.072 0.024 18393 1971 1 6 . 1 1 5 5 LEU C C 19 180.698 180.698 179.604 1.094 18393 1972 1 6 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.786 0.151 18393 1973 1 6 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.951 0.115 18393 1974 1 6 . 1 1 5 5 LEU H H 19 8.101 8.101 8.501 -0.400 18393 1975 1 6 . 1 1 6 6 ARG N N 20 119.443 119.443 120.154 -0.711 18393 1976 1 6 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.979 -0.045 18393 1977 1 6 . 1 1 6 6 ARG C C 20 178.169 178.169 177.630 0.539 18393 1978 1 6 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.764 0.111 18393 1979 1 6 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.099 -0.119 18393 1980 1 6 . 1 1 6 6 ARG H H 20 7.934 7.934 8.404 -0.470 18393 1981 1 6 . 1 1 7 7 LYS N N 21 116.636 116.636 116.167 0.469 18393 1982 1 6 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.831 -0.058 18393 1983 1 6 . 1 1 7 7 LYS C C 21 175.224 175.224 175.584 -0.360 18393 1984 1 6 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.519 -0.441 18393 1985 1 6 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.689 -0.173 18393 1986 1 6 . 1 1 7 7 LYS H H 21 7.553 7.553 7.295 0.258 18393 1987 1 6 . 1 1 8 8 ASN N N 22 114.898 114.898 114.650 0.248 18393 1988 1 6 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.361 -0.059 18393 1989 1 6 . 1 1 8 8 ASN C C 22 174.073 174.073 174.831 -0.758 18393 1990 1 6 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.229 0.204 18393 1991 1 6 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.267 -0.249 18393 1992 1 6 . 1 1 8 8 ASN H H 22 7.640 7.640 7.584 0.056 18393 1993 1 6 . 1 1 9 9 TRP N N 23 120.563 120.563 119.744 0.819 18393 1994 1 6 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.030 0.211 18393 1995 1 6 . 1 1 9 9 TRP C C 23 173.601 173.601 175.035 -1.434 18393 1996 1 6 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.594 -2.774 18393 1997 1 6 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.490 1.084 18393 1998 1 6 . 1 1 9 9 TRP H H 23 8.692 8.692 7.724 0.968 18393 1999 1 6 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.500 -0.041 18393 2000 1 6 . 1 1 10 10 PRO C C 24 175.391 175.391 176.419 -1.028 18393 2001 1 6 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.426 -0.328 18393 2002 1 6 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.634 -1.052 18393 2003 1 6 . 1 1 11 11 MET N N 25 116.562 116.562 117.616 -1.054 18393 2004 1 6 . 1 1 11 11 MET HA H 25 4.751 4.751 4.732 0.019 18393 2005 1 6 . 1 1 11 11 MET C C 25 175.240 175.240 175.385 -0.145 18393 2006 1 6 . 1 1 11 11 MET CA C 25 53.800 53.800 53.204 0.596 18393 2007 1 6 . 1 1 11 11 MET CB C 25 30.695 30.695 31.148 -0.453 18393 2008 1 6 . 1 1 11 11 MET H H 25 8.201 8.201 8.367 -0.166 18393 2009 1 6 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.728 -0.404 18393 2010 1 6 . 1 1 12 12 PRO C C 26 174.890 174.890 176.073 -1.183 18393 2011 1 6 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.592 0.889 18393 2012 1 6 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.872 -0.147 18393 2013 1 6 . 1 1 13 13 SER N N 27 116.608 116.608 115.951 0.657 18393 2014 1 6 . 1 1 13 13 SER HA H 27 4.781 4.781 4.708 0.073 18393 2015 1 6 . 1 1 13 13 SER C C 27 173.365 173.365 173.376 -0.011 18393 2016 1 6 . 1 1 13 13 SER CA C 27 57.219 57.219 58.278 -1.059 18393 2017 1 6 . 1 1 13 13 SER CB C 27 64.227 64.227 63.785 0.442 18393 2018 1 6 . 1 1 13 13 SER H H 27 8.555 8.555 8.754 -0.199 18393 2019 1 6 . 1 1 14 14 TYR N N 28 125.256 125.256 123.356 1.900 18393 2020 1 6 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.135 0.486 18393 2021 1 6 . 1 1 14 14 TYR C C 28 176.175 176.175 174.724 1.451 18393 2022 1 6 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.931 -0.368 18393 2023 1 6 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.972 0.889 18393 2024 1 6 . 1 1 14 14 TYR H H 28 8.939 8.939 8.632 0.307 18393 2025 1 6 . 1 1 15 15 ARG N N 29 120.540 120.540 126.044 -5.504 18393 2026 1 6 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.680 -0.138 18393 2027 1 6 . 1 1 15 15 ARG C C 29 173.134 173.134 174.437 -1.303 18393 2028 1 6 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.398 -0.578 18393 2029 1 6 . 1 1 15 15 ARG CB C 29 34.721 34.721 33.312 1.409 18393 2030 1 6 . 1 1 15 15 ARG H H 29 9.159 9.159 9.446 -0.287 18393 2031 1 6 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.726 -1.829 18393 2032 1 6 . 1 1 16 16 CYS C C 30 174.180 174.180 175.008 -0.828 18393 2033 1 6 . 1 1 16 16 CYS CA C 30 58.719 58.719 59.188 -0.469 18393 2034 1 6 . 1 1 16 16 CYS CB C 30 26.106 26.106 27.829 -1.723 18393 2035 1 6 . 1 1 17 17 VAL N N 31 132.259 132.259 123.604 8.655 18393 2036 1 6 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.039 -0.388 18393 2037 1 6 . 1 1 17 17 VAL C C 31 175.711 175.711 176.035 -0.324 18393 2038 1 6 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.965 0.121 18393 2039 1 6 . 1 1 17 17 VAL CB C 31 32.512 32.512 31.769 0.743 18393 2040 1 6 . 1 1 17 17 VAL H H 31 8.659 8.659 8.679 -0.020 18393 2041 1 6 . 1 1 18 18 LYS N N 32 118.630 118.630 121.154 -2.524 18393 2042 1 6 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.539 -0.179 18393 2043 1 6 . 1 1 18 18 LYS C C 32 173.015 173.015 174.373 -1.358 18393 2044 1 6 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.698 0.704 18393 2045 1 6 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.666 1.338 18393 2046 1 6 . 1 1 18 18 LYS H H 32 7.673 7.673 8.204 -0.531 18393 2047 1 6 . 1 1 19 19 GLU N N 33 125.800 125.800 127.079 -1.279 18393 2048 1 6 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.707 0.146 18393 2049 1 6 . 1 1 19 19 GLU C C 33 175.060 175.060 175.693 -0.633 18393 2050 1 6 . 1 1 19 19 GLU CA C 33 54.564 54.564 56.187 -1.623 18393 2051 1 6 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.374 -0.237 18393 2052 1 6 . 1 1 19 19 GLU H H 33 8.431 8.431 8.658 -0.227 18393 2053 1 6 . 1 1 20 20 GLY N N 34 111.079 111.079 114.133 -3.054 18393 2054 1 6 . 1 1 20 20 GLY C C 34 172.318 172.318 172.415 -0.097 18393 2055 1 6 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.332 -0.691 18393 2056 1 6 . 1 1 20 20 GLY H H 34 8.345 8.345 8.346 -0.001 18393 2057 1 6 . 1 1 21 21 GLY N N 35 107.395 107.395 108.645 -1.250 18393 2058 1 6 . 1 1 21 21 GLY C C 35 171.757 171.757 173.192 -1.435 18393 2059 1 6 . 1 1 21 21 GLY CA C 35 43.737 43.737 45.072 -1.335 18393 2060 1 6 . 1 1 21 21 GLY H H 35 8.184 8.184 8.100 0.084 18393 2061 1 6 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.266 0.210 18393 2062 1 6 . 1 1 22 22 PRO C C 36 177.171 177.171 176.355 0.816 18393 2063 1 6 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.504 -2.241 18393 2064 1 6 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.076 0.185 18393 2065 1 6 . 1 1 23 23 ALA N N 37 120.595 120.595 115.450 5.145 18393 2066 1 6 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.273 -0.450 18393 2067 1 6 . 1 1 23 23 ALA C C 37 178.547 178.547 177.228 1.319 18393 2068 1 6 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.239 3.254 18393 2069 1 6 . 1 1 23 23 ALA CB C 37 18.551 18.551 19.116 -0.565 18393 2070 1 6 . 1 1 23 23 ALA H H 37 8.580 8.580 7.518 1.062 18393 2071 1 6 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.629 -0.014 18393 2072 1 6 . 1 1 24 24 HIS C C 38 174.890 174.890 174.226 0.664 18393 2073 1 6 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.209 -0.348 18393 2074 1 6 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.278 1.082 18393 2075 1 6 . 1 1 25 25 ALA N N 39 128.271 128.271 122.234 6.037 18393 2076 1 6 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.522 -0.048 18393 2077 1 6 . 1 1 25 25 ALA C C 39 174.351 174.351 176.687 -2.336 18393 2078 1 6 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.575 -0.259 18393 2079 1 6 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.409 -1.298 18393 2080 1 6 . 1 1 25 25 ALA H H 39 7.697 7.697 7.712 -0.015 18393 2081 1 6 . 1 1 26 26 LYS N N 40 121.927 121.927 119.290 2.637 18393 2082 1 6 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.418 -0.300 18393 2083 1 6 . 1 1 26 26 LYS C C 40 177.551 177.551 175.188 2.363 18393 2084 1 6 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.261 1.883 18393 2085 1 6 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.412 0.660 18393 2086 1 6 . 1 1 26 26 LYS H H 40 7.990 7.990 7.982 0.008 18393 2087 1 6 . 1 1 27 27 ARG N N 41 119.572 119.572 118.037 1.535 18393 2088 1 6 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.197 0.441 18393 2089 1 6 . 1 1 27 27 ARG C C 41 174.770 174.770 175.705 -0.935 18393 2090 1 6 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.186 -1.708 18393 2091 1 6 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.746 2.644 18393 2092 1 6 . 1 1 27 27 ARG H H 41 8.296 8.296 7.318 0.978 18393 2093 1 6 . 1 1 28 28 PHE N N 42 120.381 120.381 123.407 -3.026 18393 2094 1 6 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.161 -0.114 18393 2095 1 6 . 1 1 28 28 PHE C C 42 174.407 174.407 175.752 -1.345 18393 2096 1 6 . 1 1 28 28 PHE CA C 42 57.026 57.026 54.766 2.260 18393 2097 1 6 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.646 2.483 18393 2098 1 6 . 1 1 28 28 PHE H H 42 9.339 9.339 8.918 0.421 18393 2099 1 6 . 1 1 29 29 THR N N 43 117.999 117.999 119.907 -1.908 18393 2100 1 6 . 1 1 29 29 THR HA H 43 4.704 4.704 4.767 -0.063 18393 2101 1 6 . 1 1 29 29 THR C C 43 173.713 173.713 172.869 0.844 18393 2102 1 6 . 1 1 29 29 THR CA C 43 62.117 62.117 61.903 0.214 18393 2103 1 6 . 1 1 29 29 THR CB C 43 70.104 70.104 70.070 0.034 18393 2104 1 6 . 1 1 29 29 THR H H 43 8.949 8.949 9.036 -0.087 18393 2105 1 6 . 1 1 30 30 PHE N N 44 129.592 129.592 127.371 2.221 18393 2106 1 6 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.928 0.467 18393 2107 1 6 . 1 1 30 30 PHE C C 44 173.221 173.221 172.782 0.439 18393 2108 1 6 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.796 0.627 18393 2109 1 6 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.360 1.557 18393 2110 1 6 . 1 1 30 30 PHE H H 44 10.048 10.048 8.914 1.134 18393 2111 1 6 . 1 1 31 31 GLY N N 45 105.921 105.921 109.334 -3.413 18393 2112 1 6 . 1 1 31 31 GLY C C 45 172.774 172.774 171.505 1.269 18393 2113 1 6 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.355 0.183 18393 2114 1 6 . 1 1 31 31 GLY H H 45 9.290 9.290 7.739 1.551 18393 2115 1 6 . 1 1 32 32 VAL N N 46 121.311 121.311 121.127 0.184 18393 2116 1 6 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.684 0.666 18393 2117 1 6 . 1 1 32 32 VAL C C 46 171.140 171.140 174.852 -3.712 18393 2118 1 6 . 1 1 32 32 VAL CA C 46 58.832 58.832 60.050 -1.218 18393 2119 1 6 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.047 2.340 18393 2120 1 6 . 1 1 32 32 VAL H H 46 8.906 8.906 8.042 0.864 18393 2121 1 6 . 1 1 33 33 ARG N N 47 122.102 122.102 122.418 -0.316 18393 2122 1 6 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.008 -0.437 18393 2123 1 6 . 1 1 33 33 ARG C C 47 173.683 173.683 174.711 -1.028 18393 2124 1 6 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.707 0.251 18393 2125 1 6 . 1 1 33 33 ARG CB C 47 35.716 35.716 34.517 1.199 18393 2126 1 6 . 1 1 33 33 ARG H H 47 8.008 8.008 7.924 0.084 18393 2127 1 6 . 1 1 34 34 VAL N N 48 117.391 117.391 121.514 -4.123 18393 2128 1 6 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.425 0.362 18393 2129 1 6 . 1 1 34 34 VAL C C 48 172.777 172.777 172.992 -0.215 18393 2130 1 6 . 1 1 34 34 VAL CA C 48 59.970 59.970 61.129 -1.159 18393 2131 1 6 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.426 -0.114 18393 2132 1 6 . 1 1 34 34 VAL H H 48 8.103 8.103 8.942 -0.839 18393 2133 1 6 . 1 1 35 35 ASN N N 49 127.065 127.065 122.291 4.774 18393 2134 1 6 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.239 -0.703 18393 2135 1 6 . 1 1 35 35 ASN C C 49 174.221 174.221 174.136 0.085 18393 2136 1 6 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.667 -1.060 18393 2137 1 6 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.966 -3.224 18393 2138 1 6 . 1 1 35 35 ASN H H 49 8.543 8.543 8.584 -0.041 18393 2139 1 6 . 1 1 36 36 THR N N 50 114.402 114.402 116.378 -1.976 18393 2140 1 6 . 1 1 36 36 THR HA H 50 2.159 2.159 2.980 -0.821 18393 2141 1 6 . 1 1 36 36 THR C C 50 175.168 175.168 175.494 -0.326 18393 2142 1 6 . 1 1 36 36 THR CA C 50 61.126 61.126 61.284 -0.158 18393 2143 1 6 . 1 1 36 36 THR CB C 50 69.987 69.987 68.493 1.494 18393 2144 1 6 . 1 1 36 36 THR H H 50 6.801 6.801 7.753 -0.952 18393 2145 1 6 . 1 1 37 37 SER N N 51 114.587 114.587 121.311 -6.724 18393 2146 1 6 . 1 1 37 37 SER HA H 51 4.105 4.105 3.926 0.179 18393 2147 1 6 . 1 1 37 37 SER C C 51 174.760 174.760 175.200 -0.440 18393 2148 1 6 . 1 1 37 37 SER CA C 51 59.958 59.958 61.378 -1.420 18393 2149 1 6 . 1 1 37 37 SER CB C 51 63.115 63.115 63.185 -0.070 18393 2150 1 6 . 1 1 37 37 SER H H 51 6.797 6.797 8.236 -1.439 18393 2151 1 6 . 1 1 38 38 ASP N N 52 117.329 117.329 118.422 -1.093 18393 2152 1 6 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.482 0.107 18393 2153 1 6 . 1 1 38 38 ASP C C 52 177.236 177.236 177.055 0.181 18393 2154 1 6 . 1 1 38 38 ASP CA C 52 54.550 54.550 55.478 -0.929 18393 2155 1 6 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.599 0.007 18393 2156 1 6 . 1 1 38 38 ASP H H 52 8.784 8.784 8.504 0.280 18393 2157 1 6 . 1 1 39 39 ARG N N 53 118.330 118.330 118.209 0.121 18393 2158 1 6 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.469 0.027 18393 2159 1 6 . 1 1 39 39 ARG C C 53 176.062 176.062 176.205 -0.143 18393 2160 1 6 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.877 -0.827 18393 2161 1 6 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.545 -2.104 18393 2162 1 6 . 1 1 39 39 ARG H H 53 7.666 7.666 8.161 -0.495 18393 2163 1 6 . 1 1 40 40 GLY N N 54 110.510 110.510 107.347 3.163 18393 2164 1 6 . 1 1 40 40 GLY C C 54 177.680 177.680 172.503 5.177 18393 2165 1 6 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.162 0.515 18393 2166 1 6 . 1 1 40 40 GLY H H 54 7.248 7.248 7.962 -0.714 18393 2167 1 6 . 1 1 41 41 TRP N N 55 123.328 123.328 122.647 0.681 18393 2168 1 6 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.804 0.115 18393 2169 1 6 . 1 1 41 41 TRP C C 55 178.873 178.873 177.476 1.397 18393 2170 1 6 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.771 0.346 18393 2171 1 6 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.565 0.209 18393 2172 1 6 . 1 1 41 41 TRP H H 55 8.289 8.289 8.287 0.002 18393 2173 1 6 . 1 1 42 42 THR N N 56 114.627 114.627 119.286 -4.659 18393 2174 1 6 . 1 1 42 42 THR HA H 56 4.329 4.329 4.337 -0.008 18393 2175 1 6 . 1 1 42 42 THR C C 56 175.261 175.261 174.795 0.466 18393 2176 1 6 . 1 1 42 42 THR CA C 56 61.698 61.698 61.415 0.283 18393 2177 1 6 . 1 1 42 42 THR CB C 56 72.359 72.359 69.793 2.566 18393 2178 1 6 . 1 1 42 42 THR H H 56 8.972 8.972 8.655 0.317 18393 2179 1 6 . 1 1 43 43 ASP N N 57 120.151 120.151 117.739 2.412 18393 2180 1 6 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.419 0.026 18393 2181 1 6 . 1 1 43 43 ASP C C 57 175.710 175.710 175.584 0.126 18393 2182 1 6 . 1 1 43 43 ASP CA C 57 55.377 55.377 53.634 1.743 18393 2183 1 6 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.956 -1.084 18393 2184 1 6 . 1 1 43 43 ASP H H 57 8.379 8.379 8.393 -0.014 18393 2185 1 6 . 1 1 44 44 GLU N N 58 122.449 122.449 119.087 3.362 18393 2186 1 6 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.539 -0.074 18393 2187 1 6 . 1 1 44 44 GLU C C 58 176.412 176.412 176.834 -0.422 18393 2188 1 6 . 1 1 44 44 GLU CA C 58 55.471 55.471 55.562 -0.091 18393 2189 1 6 . 1 1 44 44 GLU CB C 58 31.058 31.058 30.550 0.508 18393 2190 1 6 . 1 1 44 44 GLU H H 58 8.581 8.581 8.523 0.059 18393 2191 1 6 . 1 1 45 45 CYS N N 59 126.725 126.725 127.258 -0.533 18393 2192 1 6 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.479 0.216 18393 2193 1 6 . 1 1 45 45 CYS C C 59 173.364 173.364 174.058 -0.694 18393 2194 1 6 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.799 1.121 18393 2195 1 6 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.498 4.186 18393 2196 1 6 . 1 1 45 45 CYS H H 59 8.671 8.671 8.666 0.005 18393 2197 1 6 . 1 1 46 46 ILE N N 60 126.614 126.614 126.759 -0.145 18393 2198 1 6 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.334 0.359 18393 2199 1 6 . 1 1 46 46 ILE C C 60 176.175 176.175 176.729 -0.554 18393 2200 1 6 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.077 0.699 18393 2201 1 6 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.387 0.959 18393 2202 1 6 . 1 1 46 46 ILE H H 60 8.735 8.735 7.993 0.742 18393 2203 1 6 . 1 1 47 47 GLY N N 61 112.366 112.366 116.705 -4.339 18393 2204 1 6 . 1 1 47 47 GLY C C 61 171.844 171.844 173.986 -2.142 18393 2205 1 6 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.396 -0.113 18393 2206 1 6 . 1 1 47 47 GLY H H 61 8.610 8.610 8.916 -0.306 18393 2207 1 6 . 1 1 48 48 GLU N N 62 115.030 115.030 119.766 -4.736 18393 2208 1 6 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.695 -0.150 18393 2209 1 6 . 1 1 48 48 GLU C C 62 174.927 174.927 174.765 0.162 18393 2210 1 6 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.791 0.091 18393 2211 1 6 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.618 0.731 18393 2212 1 6 . 1 1 48 48 GLU H H 62 8.214 8.214 8.022 0.192 18393 2213 1 6 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.503 0.361 18393 2214 1 6 . 1 1 49 49 PRO C C 63 178.286 178.286 176.315 1.971 18393 2215 1 6 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.456 -1.196 18393 2216 1 6 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.561 -0.294 18393 2217 1 6 . 1 1 50 50 MET N N 64 123.505 123.505 124.587 -1.082 18393 2218 1 6 . 1 1 50 50 MET HA H 64 5.530 5.530 4.910 0.620 18393 2219 1 6 . 1 1 50 50 MET C C 64 176.337 176.337 174.769 1.568 18393 2220 1 6 . 1 1 50 50 MET CA C 64 51.674 51.674 51.599 0.075 18393 2221 1 6 . 1 1 50 50 MET CB C 64 37.597 37.597 33.654 3.943 18393 2222 1 6 . 1 1 50 50 MET H H 64 9.267 9.267 8.770 0.497 18393 2223 1 6 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.315 0.771 18393 2224 1 6 . 1 1 51 51 PRO C C 65 174.862 174.862 175.780 -0.918 18393 2225 1 6 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.985 0.681 18393 2226 1 6 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.389 1.138 18393 2227 1 6 . 1 1 52 52 SER N N 66 109.598 109.598 111.910 -2.312 18393 2228 1 6 . 1 1 52 52 SER HA H 66 4.813 4.813 4.701 0.112 18393 2229 1 6 . 1 1 52 52 SER C C 66 173.368 173.368 174.339 -0.971 18393 2230 1 6 . 1 1 52 52 SER CA C 66 55.463 55.463 56.641 -1.178 18393 2231 1 6 . 1 1 52 52 SER CB C 66 66.775 66.775 65.266 1.509 18393 2232 1 6 . 1 1 52 52 SER H H 66 7.165 7.165 7.191 -0.026 18393 2233 1 6 . 1 1 53 53 VAL N N 67 124.347 124.347 126.090 -1.743 18393 2234 1 6 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.840 -1.010 18393 2235 1 6 . 1 1 53 53 VAL C C 67 177.116 177.116 177.474 -0.358 18393 2236 1 6 . 1 1 53 53 VAL CA C 67 66.829 66.829 66.297 0.532 18393 2237 1 6 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.746 -0.422 18393 2238 1 6 . 1 1 53 53 VAL H H 67 8.522 8.522 8.986 -0.464 18393 2239 1 6 . 1 1 54 54 LYS N N 68 118.639 118.639 118.462 0.177 18393 2240 1 6 . 1 1 54 54 LYS HA H 68 3.469 3.469 3.928 -0.459 18393 2241 1 6 . 1 1 54 54 LYS C C 68 178.286 178.286 178.790 -0.504 18393 2242 1 6 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.981 0.369 18393 2243 1 6 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.035 0.328 18393 2244 1 6 . 1 1 54 54 LYS H H 68 8.098 8.098 8.509 -0.411 18393 2245 1 6 . 1 1 55 55 LYS N N 69 115.388 115.388 117.936 -2.548 18393 2246 1 6 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.295 -0.201 18393 2247 1 6 . 1 1 55 55 LYS C C 69 179.694 179.694 178.407 1.287 18393 2248 1 6 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.310 0.518 18393 2249 1 6 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.042 0.797 18393 2250 1 6 . 1 1 55 55 LYS H H 69 7.499 7.499 7.673 -0.174 18393 2251 1 6 . 1 1 56 56 ALA N N 70 124.226 124.226 124.868 -0.642 18393 2252 1 6 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.173 -0.024 18393 2253 1 6 . 1 1 56 56 ALA C C 70 181.217 181.217 179.284 1.933 18393 2254 1 6 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.326 0.390 18393 2255 1 6 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.752 1.758 18393 2256 1 6 . 1 1 56 56 ALA H H 70 8.296 8.296 8.311 -0.015 18393 2257 1 6 . 1 1 57 57 LYS N N 71 120.522 120.522 118.200 2.322 18393 2258 1 6 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.017 -0.374 18393 2259 1 6 . 1 1 57 57 LYS C C 71 177.937 177.937 178.406 -0.469 18393 2260 1 6 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.782 1.305 18393 2261 1 6 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.824 0.304 18393 2262 1 6 . 1 1 57 57 LYS H H 71 8.385 8.385 8.071 0.314 18393 2263 1 6 . 1 1 58 58 ASP N N 72 119.428 119.428 119.698 -0.270 18393 2264 1 6 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.400 -0.094 18393 2265 1 6 . 1 1 58 58 ASP C C 72 177.042 177.042 178.642 -1.600 18393 2266 1 6 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.420 0.720 18393 2267 1 6 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.702 -0.577 18393 2268 1 6 . 1 1 58 58 ASP H H 72 8.029 8.029 7.950 0.079 18393 2269 1 6 . 1 1 59 59 SER N N 73 111.435 111.435 115.103 -3.668 18393 2270 1 6 . 1 1 59 59 SER HA H 73 4.243 4.243 4.235 0.008 18393 2271 1 6 . 1 1 59 59 SER C C 73 177.000 177.000 176.674 0.326 18393 2272 1 6 . 1 1 59 59 SER CA C 73 63.579 63.579 61.408 2.171 18393 2273 1 6 . 1 1 59 59 SER CB C 73 60.947 60.947 63.213 -2.266 18393 2274 1 6 . 1 1 59 59 SER H H 73 7.785 7.785 7.969 -0.184 18393 2275 1 6 . 1 1 60 60 ALA N N 74 120.363 120.363 123.470 -3.107 18393 2276 1 6 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.042 -0.079 18393 2277 1 6 . 1 1 60 60 ALA C C 74 178.170 178.170 179.429 -1.259 18393 2278 1 6 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.902 0.596 18393 2279 1 6 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.480 -0.569 18393 2280 1 6 . 1 1 60 60 ALA H H 74 7.472 7.472 7.725 -0.253 18393 2281 1 6 . 1 1 61 61 ALA N N 75 118.116 118.116 121.768 -3.652 18393 2282 1 6 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.099 -0.151 18393 2283 1 6 . 1 1 61 61 ALA C C 75 179.341 179.341 179.591 -0.250 18393 2284 1 6 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.180 0.480 18393 2285 1 6 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.311 0.631 18393 2286 1 6 . 1 1 61 61 ALA H H 75 8.653 8.653 8.518 0.135 18393 2287 1 6 . 1 1 62 62 VAL N N 76 115.858 115.858 117.566 -1.708 18393 2288 1 6 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.649 0.007 18393 2289 1 6 . 1 1 62 62 VAL C C 76 178.051 178.051 177.908 0.143 18393 2290 1 6 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.175 0.476 18393 2291 1 6 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.728 0.119 18393 2292 1 6 . 1 1 62 62 VAL H H 76 8.124 8.124 7.509 0.615 18393 2293 1 6 . 1 1 63 63 LEU N N 77 119.881 119.881 118.914 0.967 18393 2294 1 6 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.477 -0.288 18393 2295 1 6 . 1 1 63 63 LEU C C 77 179.692 179.692 179.505 0.187 18393 2296 1 6 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.803 0.781 18393 2297 1 6 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.874 0.042 18393 2298 1 6 . 1 1 63 63 LEU H H 77 7.038 7.038 7.611 -0.573 18393 2299 1 6 . 1 1 64 64 LEU N N 78 122.083 122.083 122.041 0.042 18393 2300 1 6 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.137 0.391 18393 2301 1 6 . 1 1 64 64 LEU C C 78 178.601 178.601 178.718 -0.117 18393 2302 1 6 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.914 -0.456 18393 2303 1 6 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.019 -0.765 18393 2304 1 6 . 1 1 64 64 LEU H H 78 7.694 7.694 7.954 -0.260 18393 2305 1 6 . 1 1 65 65 LEU N N 79 120.548 120.548 118.828 1.720 18393 2306 1 6 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.026 -0.162 18393 2307 1 6 . 1 1 65 65 LEU C C 79 178.861 178.861 178.709 0.152 18393 2308 1 6 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.251 0.226 18393 2309 1 6 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.409 0.209 18393 2310 1 6 . 1 1 65 65 LEU H H 79 8.671 8.671 8.396 0.275 18393 2311 1 6 . 1 1 66 66 GLU N N 80 117.398 117.398 117.801 -0.403 18393 2312 1 6 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.081 -0.022 18393 2313 1 6 . 1 1 66 66 GLU C C 80 178.957 178.957 178.646 0.311 18393 2314 1 6 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.913 0.423 18393 2315 1 6 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.511 -0.130 18393 2316 1 6 . 1 1 66 66 GLU H H 80 7.613 7.613 7.432 0.181 18393 2317 1 6 . 1 1 67 67 LEU N N 81 120.633 120.633 121.091 -0.458 18393 2318 1 6 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.092 0.068 18393 2319 1 6 . 1 1 67 67 LEU C C 81 180.162 180.162 179.277 0.885 18393 2320 1 6 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.940 0.173 18393 2321 1 6 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.286 -0.229 18393 2322 1 6 . 1 1 67 67 LEU H H 81 7.656 7.656 7.544 0.112 18393 2323 1 6 . 1 1 68 68 LEU N N 82 118.949 118.949 118.710 0.239 18393 2324 1 6 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.229 -0.066 18393 2325 1 6 . 1 1 68 68 LEU C C 82 178.289 178.289 178.556 -0.267 18393 2326 1 6 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.048 0.807 18393 2327 1 6 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.044 0.974 18393 2328 1 6 . 1 1 68 68 LEU H H 82 8.583 8.583 8.506 0.077 18393 2329 1 6 . 1 1 69 69 ASN N N 83 116.570 116.570 116.208 0.362 18393 2330 1 6 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.642 0.087 18393 2331 1 6 . 1 1 69 69 ASN C C 83 174.784 174.784 175.454 -0.670 18393 2332 1 6 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.076 -0.337 18393 2333 1 6 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.797 0.351 18393 2334 1 6 . 1 1 69 69 ASN H H 83 7.920 7.920 7.711 0.209 18393 2335 1 6 . 1 1 70 70 LYS N N 84 120.363 120.363 120.433 -0.070 18393 2336 1 6 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.577 -0.173 18393 2337 1 6 . 1 1 70 70 LYS C C 84 175.910 175.910 175.282 0.628 18393 2338 1 6 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.672 1.164 18393 2339 1 6 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.654 0.345 18393 2340 1 6 . 1 1 70 70 LYS H H 84 7.593 7.593 7.814 -0.221 18393 2341 1 7 . 1 1 2 2 ASP N N 16 119.381 119.381 122.577 -3.196 18393 2342 1 7 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.483 -0.143 18393 2343 1 7 . 1 1 2 2 ASP C C 16 178.935 178.935 177.624 1.311 18393 2344 1 7 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.402 0.306 18393 2345 1 7 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.562 0.119 18393 2346 1 7 . 1 1 2 2 ASP H H 16 8.320 8.320 8.669 -0.349 18393 2347 1 7 . 1 1 3 3 ILE N N 17 121.475 121.475 118.579 2.896 18393 2348 1 7 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.811 -0.265 18393 2349 1 7 . 1 1 3 3 ILE C C 17 177.116 177.116 177.720 -0.604 18393 2350 1 7 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.295 0.938 18393 2351 1 7 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.373 0.327 18393 2352 1 7 . 1 1 3 3 ILE H H 17 7.793 7.793 8.165 -0.372 18393 2353 1 7 . 1 1 4 4 CYS N N 18 117.506 117.506 118.895 -1.389 18393 2354 1 7 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.493 -0.551 18393 2355 1 7 . 1 1 4 4 CYS C C 18 176.671 176.671 176.731 -0.060 18393 2356 1 7 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.034 2.590 18393 2357 1 7 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.937 -0.972 18393 2358 1 7 . 1 1 4 4 CYS H H 18 7.823 7.823 7.801 0.022 18393 2359 1 7 . 1 1 5 5 LEU N N 19 118.832 118.832 122.550 -3.718 18393 2360 1 7 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.155 -0.059 18393 2361 1 7 . 1 1 5 5 LEU C C 19 180.698 180.698 179.253 1.445 18393 2362 1 7 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.840 0.097 18393 2363 1 7 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.885 0.181 18393 2364 1 7 . 1 1 5 5 LEU H H 19 8.101 8.101 8.391 -0.290 18393 2365 1 7 . 1 1 6 6 ARG N N 20 119.443 119.443 120.028 -0.585 18393 2366 1 7 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.975 -0.041 18393 2367 1 7 . 1 1 6 6 ARG C C 20 178.169 178.169 177.775 0.394 18393 2368 1 7 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.689 0.186 18393 2369 1 7 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.160 -0.180 18393 2370 1 7 . 1 1 6 6 ARG H H 20 7.934 7.934 8.343 -0.409 18393 2371 1 7 . 1 1 7 7 LYS N N 21 116.636 116.636 116.404 0.232 18393 2372 1 7 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.874 -0.101 18393 2373 1 7 . 1 1 7 7 LYS C C 21 175.224 175.224 175.374 -0.150 18393 2374 1 7 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.078 0.000 18393 2375 1 7 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.334 0.183 18393 2376 1 7 . 1 1 7 7 LYS H H 21 7.553 7.553 7.408 0.145 18393 2377 1 7 . 1 1 8 8 ASN N N 22 114.898 114.898 115.696 -0.798 18393 2378 1 7 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.338 -0.036 18393 2379 1 7 . 1 1 8 8 ASN C C 22 174.073 174.073 174.223 -0.150 18393 2380 1 7 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.334 0.099 18393 2381 1 7 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.393 -0.376 18393 2382 1 7 . 1 1 8 8 ASN H H 22 7.640 7.640 7.433 0.207 18393 2383 1 7 . 1 1 9 9 TRP N N 23 120.563 120.563 118.700 1.863 18393 2384 1 7 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.115 0.126 18393 2385 1 7 . 1 1 9 9 TRP C C 23 173.601 173.601 175.073 -1.472 18393 2386 1 7 . 1 1 9 9 TRP CA C 23 51.820 51.820 53.983 -2.163 18393 2387 1 7 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.483 1.091 18393 2388 1 7 . 1 1 9 9 TRP H H 23 8.692 8.692 7.546 1.146 18393 2389 1 7 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.509 -0.050 18393 2390 1 7 . 1 1 10 10 PRO C C 24 175.391 175.391 176.400 -1.009 18393 2391 1 7 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.471 -0.373 18393 2392 1 7 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.729 -1.147 18393 2393 1 7 . 1 1 11 11 MET N N 25 116.562 116.562 117.350 -0.788 18393 2394 1 7 . 1 1 11 11 MET HA H 25 4.751 4.751 4.783 -0.032 18393 2395 1 7 . 1 1 11 11 MET C C 25 175.240 175.240 174.778 0.462 18393 2396 1 7 . 1 1 11 11 MET CA C 25 53.800 53.800 53.319 0.481 18393 2397 1 7 . 1 1 11 11 MET CB C 25 30.695 30.695 30.962 -0.267 18393 2398 1 7 . 1 1 11 11 MET H H 25 8.201 8.201 8.473 -0.272 18393 2399 1 7 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.862 -0.538 18393 2400 1 7 . 1 1 12 12 PRO C C 26 174.890 174.890 175.857 -0.967 18393 2401 1 7 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.517 0.964 18393 2402 1 7 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.894 -0.169 18393 2403 1 7 . 1 1 13 13 SER N N 27 116.608 116.608 115.923 0.685 18393 2404 1 7 . 1 1 13 13 SER HA H 27 4.781 4.781 4.736 0.045 18393 2405 1 7 . 1 1 13 13 SER C C 27 173.365 173.365 173.578 -0.213 18393 2406 1 7 . 1 1 13 13 SER CA C 27 57.219 57.219 58.236 -1.017 18393 2407 1 7 . 1 1 13 13 SER CB C 27 64.227 64.227 63.899 0.328 18393 2408 1 7 . 1 1 13 13 SER H H 27 8.555 8.555 8.620 -0.065 18393 2409 1 7 . 1 1 14 14 TYR N N 28 125.256 125.256 123.836 1.420 18393 2410 1 7 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.138 0.483 18393 2411 1 7 . 1 1 14 14 TYR C C 28 176.175 176.175 174.750 1.425 18393 2412 1 7 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.718 -0.155 18393 2413 1 7 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.807 1.054 18393 2414 1 7 . 1 1 14 14 TYR H H 28 8.939 8.939 8.669 0.270 18393 2415 1 7 . 1 1 15 15 ARG N N 29 120.540 120.540 123.288 -2.748 18393 2416 1 7 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.808 -0.266 18393 2417 1 7 . 1 1 15 15 ARG C C 29 173.134 173.134 175.024 -1.890 18393 2418 1 7 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.544 0.276 18393 2419 1 7 . 1 1 15 15 ARG CB C 29 34.721 34.721 33.683 1.038 18393 2420 1 7 . 1 1 15 15 ARG H H 29 9.159 9.159 8.905 0.254 18393 2421 1 7 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.542 -1.645 18393 2422 1 7 . 1 1 16 16 CYS C C 30 174.180 174.180 174.854 -0.674 18393 2423 1 7 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.335 -1.616 18393 2424 1 7 . 1 1 16 16 CYS CB C 30 26.106 26.106 27.768 -1.662 18393 2425 1 7 . 1 1 17 17 VAL N N 31 132.259 132.259 127.598 4.661 18393 2426 1 7 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.174 -0.523 18393 2427 1 7 . 1 1 17 17 VAL C C 31 175.711 175.711 175.598 0.113 18393 2428 1 7 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.080 0.006 18393 2429 1 7 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.407 0.104 18393 2430 1 7 . 1 1 17 17 VAL H H 31 8.659 8.659 8.665 -0.006 18393 2431 1 7 . 1 1 18 18 LYS N N 32 118.630 118.630 120.465 -1.835 18393 2432 1 7 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.588 -0.228 18393 2433 1 7 . 1 1 18 18 LYS C C 32 173.015 173.015 174.195 -1.180 18393 2434 1 7 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.620 0.782 18393 2435 1 7 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.050 0.954 18393 2436 1 7 . 1 1 18 18 LYS H H 32 7.673 7.673 8.399 -0.726 18393 2437 1 7 . 1 1 19 19 GLU N N 33 125.800 125.800 126.316 -0.516 18393 2438 1 7 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.716 0.137 18393 2439 1 7 . 1 1 19 19 GLU C C 33 175.060 175.060 175.844 -0.784 18393 2440 1 7 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.969 -1.405 18393 2441 1 7 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.787 -0.650 18393 2442 1 7 . 1 1 19 19 GLU H H 33 8.431 8.431 8.688 -0.257 18393 2443 1 7 . 1 1 20 20 GLY N N 34 111.079 111.079 113.342 -2.263 18393 2444 1 7 . 1 1 20 20 GLY C C 34 172.318 172.318 172.780 -0.462 18393 2445 1 7 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.182 -0.541 18393 2446 1 7 . 1 1 20 20 GLY H H 34 8.345 8.345 8.416 -0.071 18393 2447 1 7 . 1 1 21 21 GLY N N 35 107.395 107.395 107.312 0.083 18393 2448 1 7 . 1 1 21 21 GLY C C 35 171.757 171.757 173.059 -1.302 18393 2449 1 7 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.815 -1.078 18393 2450 1 7 . 1 1 21 21 GLY H H 35 8.184 8.184 7.938 0.246 18393 2451 1 7 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.266 0.210 18393 2452 1 7 . 1 1 22 22 PRO C C 36 177.171 177.171 176.412 0.759 18393 2453 1 7 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.486 -2.223 18393 2454 1 7 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.009 0.252 18393 2455 1 7 . 1 1 23 23 ALA N N 37 120.595 120.595 115.468 5.127 18393 2456 1 7 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.241 -0.418 18393 2457 1 7 . 1 1 23 23 ALA C C 37 178.547 178.547 176.809 1.738 18393 2458 1 7 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.071 3.422 18393 2459 1 7 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.986 -0.435 18393 2460 1 7 . 1 1 23 23 ALA H H 37 8.580 8.580 7.466 1.114 18393 2461 1 7 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.636 -0.021 18393 2462 1 7 . 1 1 24 24 HIS C C 38 174.890 174.890 174.362 0.528 18393 2463 1 7 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.094 -0.233 18393 2464 1 7 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.268 1.092 18393 2465 1 7 . 1 1 25 25 ALA N N 39 128.271 128.271 123.147 5.124 18393 2466 1 7 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.550 -0.076 18393 2467 1 7 . 1 1 25 25 ALA C C 39 174.351 174.351 176.808 -2.457 18393 2468 1 7 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.495 -0.179 18393 2469 1 7 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.348 -1.237 18393 2470 1 7 . 1 1 25 25 ALA H H 39 7.697 7.697 7.677 0.020 18393 2471 1 7 . 1 1 26 26 LYS N N 40 121.927 121.927 119.285 2.642 18393 2472 1 7 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.246 -0.128 18393 2473 1 7 . 1 1 26 26 LYS C C 40 177.551 177.551 175.356 2.195 18393 2474 1 7 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.773 1.371 18393 2475 1 7 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.293 0.779 18393 2476 1 7 . 1 1 26 26 LYS H H 40 7.990 7.990 8.374 -0.384 18393 2477 1 7 . 1 1 27 27 ARG N N 41 119.572 119.572 119.100 0.472 18393 2478 1 7 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.011 0.627 18393 2479 1 7 . 1 1 27 27 ARG C C 41 174.770 174.770 175.625 -0.855 18393 2480 1 7 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.831 -2.353 18393 2481 1 7 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.704 2.686 18393 2482 1 7 . 1 1 27 27 ARG H H 41 8.296 8.296 7.581 0.715 18393 2483 1 7 . 1 1 28 28 PHE N N 42 120.381 120.381 124.317 -3.936 18393 2484 1 7 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.256 -0.209 18393 2485 1 7 . 1 1 28 28 PHE C C 42 174.407 174.407 175.839 -1.432 18393 2486 1 7 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.246 1.780 18393 2487 1 7 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.943 2.186 18393 2488 1 7 . 1 1 28 28 PHE H H 42 9.339 9.339 8.909 0.430 18393 2489 1 7 . 1 1 29 29 THR N N 43 117.999 117.999 118.503 -0.504 18393 2490 1 7 . 1 1 29 29 THR HA H 43 4.704 4.704 4.841 -0.137 18393 2491 1 7 . 1 1 29 29 THR C C 43 173.713 173.713 173.065 0.648 18393 2492 1 7 . 1 1 29 29 THR CA C 43 62.117 62.117 61.857 0.260 18393 2493 1 7 . 1 1 29 29 THR CB C 43 70.104 70.104 71.045 -0.941 18393 2494 1 7 . 1 1 29 29 THR H H 43 8.949 8.949 9.126 -0.177 18393 2495 1 7 . 1 1 30 30 PHE N N 44 129.592 129.592 126.839 2.753 18393 2496 1 7 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.003 0.392 18393 2497 1 7 . 1 1 30 30 PHE C C 44 173.221 173.221 172.849 0.372 18393 2498 1 7 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.887 0.536 18393 2499 1 7 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.694 1.223 18393 2500 1 7 . 1 1 30 30 PHE H H 44 10.048 10.048 8.823 1.225 18393 2501 1 7 . 1 1 31 31 GLY N N 45 105.921 105.921 108.595 -2.674 18393 2502 1 7 . 1 1 31 31 GLY C C 45 172.774 172.774 171.606 1.168 18393 2503 1 7 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.376 0.162 18393 2504 1 7 . 1 1 31 31 GLY H H 45 9.290 9.290 7.722 1.568 18393 2505 1 7 . 1 1 32 32 VAL N N 46 121.311 121.311 120.278 1.033 18393 2506 1 7 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.553 0.797 18393 2507 1 7 . 1 1 32 32 VAL C C 46 171.140 171.140 174.785 -3.645 18393 2508 1 7 . 1 1 32 32 VAL CA C 46 58.832 58.832 60.136 -1.304 18393 2509 1 7 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.039 2.348 18393 2510 1 7 . 1 1 32 32 VAL H H 46 8.906 8.906 7.745 1.161 18393 2511 1 7 . 1 1 33 33 ARG N N 47 122.102 122.102 122.536 -0.434 18393 2512 1 7 . 1 1 33 33 ARG HA H 47 4.571 4.571 4.906 -0.335 18393 2513 1 7 . 1 1 33 33 ARG C C 47 173.683 173.683 174.653 -0.970 18393 2514 1 7 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.647 0.312 18393 2515 1 7 . 1 1 33 33 ARG CB C 47 35.716 35.716 34.014 1.702 18393 2516 1 7 . 1 1 33 33 ARG H H 47 8.008 8.008 7.947 0.061 18393 2517 1 7 . 1 1 34 34 VAL N N 48 117.391 117.391 121.682 -4.291 18393 2518 1 7 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.453 0.334 18393 2519 1 7 . 1 1 34 34 VAL C C 48 172.777 172.777 173.258 -0.481 18393 2520 1 7 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.282 -0.312 18393 2521 1 7 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.162 0.150 18393 2522 1 7 . 1 1 34 34 VAL H H 48 8.103 8.103 9.085 -0.982 18393 2523 1 7 . 1 1 35 35 ASN N N 49 127.065 127.065 122.556 4.509 18393 2524 1 7 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.319 -0.783 18393 2525 1 7 . 1 1 35 35 ASN C C 49 174.221 174.221 173.933 0.288 18393 2526 1 7 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.358 -0.751 18393 2527 1 7 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.244 -3.502 18393 2528 1 7 . 1 1 35 35 ASN H H 49 8.543 8.543 8.563 -0.020 18393 2529 1 7 . 1 1 36 36 THR N N 50 114.402 114.402 115.729 -1.327 18393 2530 1 7 . 1 1 36 36 THR HA H 50 2.159 2.159 2.993 -0.834 18393 2531 1 7 . 1 1 36 36 THR C C 50 175.168 175.168 175.682 -0.514 18393 2532 1 7 . 1 1 36 36 THR CA C 50 61.126 61.126 61.314 -0.188 18393 2533 1 7 . 1 1 36 36 THR CB C 50 69.987 69.987 68.763 1.224 18393 2534 1 7 . 1 1 36 36 THR H H 50 6.801 6.801 7.800 -0.999 18393 2535 1 7 . 1 1 37 37 SER N N 51 114.587 114.587 120.996 -6.409 18393 2536 1 7 . 1 1 37 37 SER HA H 51 4.105 4.105 3.993 0.112 18393 2537 1 7 . 1 1 37 37 SER C C 51 174.760 174.760 174.904 -0.144 18393 2538 1 7 . 1 1 37 37 SER CA C 51 59.958 59.958 61.291 -1.333 18393 2539 1 7 . 1 1 37 37 SER CB C 51 63.115 63.115 63.153 -0.038 18393 2540 1 7 . 1 1 37 37 SER H H 51 6.797 6.797 8.575 -1.778 18393 2541 1 7 . 1 1 38 38 ASP N N 52 117.329 117.329 117.638 -0.309 18393 2542 1 7 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.629 -0.040 18393 2543 1 7 . 1 1 38 38 ASP C C 52 177.236 177.236 176.598 0.638 18393 2544 1 7 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.453 0.097 18393 2545 1 7 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.997 -0.391 18393 2546 1 7 . 1 1 38 38 ASP H H 52 8.784 8.784 8.082 0.702 18393 2547 1 7 . 1 1 39 39 ARG N N 53 118.330 118.330 120.230 -1.900 18393 2548 1 7 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.428 0.068 18393 2549 1 7 . 1 1 39 39 ARG C C 53 176.062 176.062 176.016 0.046 18393 2550 1 7 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.630 -0.580 18393 2551 1 7 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.257 -1.816 18393 2552 1 7 . 1 1 39 39 ARG H H 53 7.666 7.666 7.829 -0.163 18393 2553 1 7 . 1 1 40 40 GLY N N 54 110.510 110.510 106.856 3.654 18393 2554 1 7 . 1 1 40 40 GLY C C 54 177.680 177.680 172.970 4.710 18393 2555 1 7 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.186 0.491 18393 2556 1 7 . 1 1 40 40 GLY H H 54 7.248 7.248 7.686 -0.438 18393 2557 1 7 . 1 1 41 41 TRP N N 55 123.328 123.328 122.993 0.335 18393 2558 1 7 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.763 0.156 18393 2559 1 7 . 1 1 41 41 TRP C C 55 178.873 178.873 177.628 1.245 18393 2560 1 7 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.737 0.380 18393 2561 1 7 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.446 0.328 18393 2562 1 7 . 1 1 41 41 TRP H H 55 8.289 8.289 8.418 -0.129 18393 2563 1 7 . 1 1 42 42 THR N N 56 114.627 114.627 116.156 -1.529 18393 2564 1 7 . 1 1 42 42 THR HA H 56 4.329 4.329 4.373 -0.044 18393 2565 1 7 . 1 1 42 42 THR C C 56 175.261 175.261 174.203 1.058 18393 2566 1 7 . 1 1 42 42 THR CA C 56 61.698 61.698 60.936 0.762 18393 2567 1 7 . 1 1 42 42 THR CB C 56 72.359 72.359 70.265 2.094 18393 2568 1 7 . 1 1 42 42 THR H H 56 8.972 8.972 8.801 0.171 18393 2569 1 7 . 1 1 43 43 ASP N N 57 120.151 120.151 120.701 -0.550 18393 2570 1 7 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.505 -0.060 18393 2571 1 7 . 1 1 43 43 ASP C C 57 175.710 175.710 176.087 -0.377 18393 2572 1 7 . 1 1 43 43 ASP CA C 57 55.377 55.377 55.613 -0.236 18393 2573 1 7 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.569 -0.697 18393 2574 1 7 . 1 1 43 43 ASP H H 57 8.379 8.379 8.544 -0.165 18393 2575 1 7 . 1 1 44 44 GLU N N 58 122.449 122.449 124.123 -1.674 18393 2576 1 7 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.529 -0.064 18393 2577 1 7 . 1 1 44 44 GLU C C 58 176.412 176.412 176.650 -0.238 18393 2578 1 7 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.645 -1.174 18393 2579 1 7 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.798 1.260 18393 2580 1 7 . 1 1 44 44 GLU H H 58 8.581 8.581 8.602 -0.021 18393 2581 1 7 . 1 1 45 45 CYS N N 59 126.725 126.725 127.865 -1.140 18393 2582 1 7 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.449 0.246 18393 2583 1 7 . 1 1 45 45 CYS C C 59 173.364 173.364 174.225 -0.861 18393 2584 1 7 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.784 1.136 18393 2585 1 7 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.927 3.757 18393 2586 1 7 . 1 1 45 45 CYS H H 59 8.671 8.671 8.486 0.185 18393 2587 1 7 . 1 1 46 46 ILE N N 60 126.614 126.614 126.797 -0.183 18393 2588 1 7 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.142 0.551 18393 2589 1 7 . 1 1 46 46 ILE C C 60 176.175 176.175 176.693 -0.518 18393 2590 1 7 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.471 0.305 18393 2591 1 7 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.157 1.189 18393 2592 1 7 . 1 1 46 46 ILE H H 60 8.735 8.735 7.875 0.860 18393 2593 1 7 . 1 1 47 47 GLY N N 61 112.366 112.366 116.887 -4.521 18393 2594 1 7 . 1 1 47 47 GLY C C 61 171.844 171.844 173.588 -1.744 18393 2595 1 7 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.142 0.140 18393 2596 1 7 . 1 1 47 47 GLY H H 61 8.610 8.610 8.844 -0.234 18393 2597 1 7 . 1 1 48 48 GLU N N 62 115.030 115.030 119.988 -4.958 18393 2598 1 7 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.575 -0.030 18393 2599 1 7 . 1 1 48 48 GLU C C 62 174.927 174.927 174.627 0.300 18393 2600 1 7 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.005 -0.123 18393 2601 1 7 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.004 0.345 18393 2602 1 7 . 1 1 48 48 GLU H H 62 8.214 8.214 8.069 0.145 18393 2603 1 7 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.525 0.339 18393 2604 1 7 . 1 1 49 49 PRO C C 63 178.286 178.286 175.602 2.684 18393 2605 1 7 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.461 -1.201 18393 2606 1 7 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.475 -0.208 18393 2607 1 7 . 1 1 50 50 MET N N 64 123.505 123.505 123.979 -0.474 18393 2608 1 7 . 1 1 50 50 MET HA H 64 5.530 5.530 4.941 0.589 18393 2609 1 7 . 1 1 50 50 MET C C 64 176.337 176.337 174.673 1.664 18393 2610 1 7 . 1 1 50 50 MET CA C 64 51.674 51.674 51.530 0.144 18393 2611 1 7 . 1 1 50 50 MET CB C 64 37.597 37.597 33.689 3.908 18393 2612 1 7 . 1 1 50 50 MET H H 64 9.267 9.267 9.062 0.205 18393 2613 1 7 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.411 0.675 18393 2614 1 7 . 1 1 51 51 PRO C C 65 174.862 174.862 175.915 -1.053 18393 2615 1 7 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.401 0.265 18393 2616 1 7 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.595 0.932 18393 2617 1 7 . 1 1 52 52 SER N N 66 109.598 109.598 112.181 -2.583 18393 2618 1 7 . 1 1 52 52 SER HA H 66 4.813 4.813 4.789 0.024 18393 2619 1 7 . 1 1 52 52 SER C C 66 173.368 173.368 175.039 -1.671 18393 2620 1 7 . 1 1 52 52 SER CA C 66 55.463 55.463 55.776 -0.313 18393 2621 1 7 . 1 1 52 52 SER CB C 66 66.775 66.775 65.407 1.368 18393 2622 1 7 . 1 1 52 52 SER H H 66 7.165 7.165 7.244 -0.079 18393 2623 1 7 . 1 1 53 53 VAL N N 67 124.347 124.347 124.641 -0.294 18393 2624 1 7 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.939 -1.109 18393 2625 1 7 . 1 1 53 53 VAL C C 67 177.116 177.116 176.913 0.203 18393 2626 1 7 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.139 1.690 18393 2627 1 7 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.690 -0.366 18393 2628 1 7 . 1 1 53 53 VAL H H 67 8.522 8.522 8.912 -0.390 18393 2629 1 7 . 1 1 54 54 LYS N N 68 118.639 118.639 120.208 -1.569 18393 2630 1 7 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.047 -0.578 18393 2631 1 7 . 1 1 54 54 LYS C C 68 178.286 178.286 178.777 -0.491 18393 2632 1 7 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.611 0.738 18393 2633 1 7 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.206 0.158 18393 2634 1 7 . 1 1 54 54 LYS H H 68 8.098 8.098 7.686 0.412 18393 2635 1 7 . 1 1 55 55 LYS N N 69 115.388 115.388 119.206 -3.818 18393 2636 1 7 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.225 -0.131 18393 2637 1 7 . 1 1 55 55 LYS C C 69 179.694 179.694 178.893 0.801 18393 2638 1 7 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.951 -0.123 18393 2639 1 7 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.345 0.494 18393 2640 1 7 . 1 1 55 55 LYS H H 69 7.499 7.499 7.627 -0.128 18393 2641 1 7 . 1 1 56 56 ALA N N 70 124.226 124.226 124.002 0.224 18393 2642 1 7 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.202 -0.053 18393 2643 1 7 . 1 1 56 56 ALA C C 70 181.217 181.217 179.580 1.637 18393 2644 1 7 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.391 0.325 18393 2645 1 7 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.546 1.964 18393 2646 1 7 . 1 1 56 56 ALA H H 70 8.296 8.296 8.013 0.283 18393 2647 1 7 . 1 1 57 57 LYS N N 71 120.522 120.522 118.601 1.921 18393 2648 1 7 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.106 -0.463 18393 2649 1 7 . 1 1 57 57 LYS C C 71 177.937 177.937 179.130 -1.193 18393 2650 1 7 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.333 0.754 18393 2651 1 7 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.004 0.124 18393 2652 1 7 . 1 1 57 57 LYS H H 71 8.385 8.385 7.539 0.846 18393 2653 1 7 . 1 1 58 58 ASP N N 72 119.428 119.428 119.637 -0.209 18393 2654 1 7 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.455 -0.149 18393 2655 1 7 . 1 1 58 58 ASP C C 72 177.042 177.042 178.972 -1.930 18393 2656 1 7 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.609 0.531 18393 2657 1 7 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.617 -0.492 18393 2658 1 7 . 1 1 58 58 ASP H H 72 8.029 8.029 8.068 -0.039 18393 2659 1 7 . 1 1 59 59 SER N N 73 111.435 111.435 115.451 -4.016 18393 2660 1 7 . 1 1 59 59 SER HA H 73 4.243 4.243 4.192 0.051 18393 2661 1 7 . 1 1 59 59 SER C C 73 177.000 177.000 176.581 0.419 18393 2662 1 7 . 1 1 59 59 SER CA C 73 63.579 63.579 61.827 1.752 18393 2663 1 7 . 1 1 59 59 SER CB C 73 60.947 60.947 62.998 -2.051 18393 2664 1 7 . 1 1 59 59 SER H H 73 7.785 7.785 8.411 -0.626 18393 2665 1 7 . 1 1 60 60 ALA N N 74 120.363 120.363 124.954 -4.591 18393 2666 1 7 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.999 -0.036 18393 2667 1 7 . 1 1 60 60 ALA C C 74 178.170 178.170 179.362 -1.192 18393 2668 1 7 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.890 0.608 18393 2669 1 7 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.387 -0.476 18393 2670 1 7 . 1 1 60 60 ALA H H 74 7.472 7.472 7.832 -0.360 18393 2671 1 7 . 1 1 61 61 ALA N N 75 118.116 118.116 121.501 -3.385 18393 2672 1 7 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.059 -0.111 18393 2673 1 7 . 1 1 61 61 ALA C C 75 179.341 179.341 179.542 -0.201 18393 2674 1 7 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.260 0.400 18393 2675 1 7 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.401 0.540 18393 2676 1 7 . 1 1 61 61 ALA H H 75 8.653 8.653 8.598 0.055 18393 2677 1 7 . 1 1 62 62 VAL N N 76 115.858 115.858 117.636 -1.778 18393 2678 1 7 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.777 -0.121 18393 2679 1 7 . 1 1 62 62 VAL C C 76 178.051 178.051 178.051 0.000 18393 2680 1 7 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.644 0.007 18393 2681 1 7 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.121 0.726 18393 2682 1 7 . 1 1 62 62 VAL H H 76 8.124 8.124 7.895 0.229 18393 2683 1 7 . 1 1 63 63 LEU N N 77 119.881 119.881 118.901 0.980 18393 2684 1 7 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.114 0.075 18393 2685 1 7 . 1 1 63 63 LEU C C 77 179.692 179.692 179.293 0.399 18393 2686 1 7 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.098 0.486 18393 2687 1 7 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.589 0.327 18393 2688 1 7 . 1 1 63 63 LEU H H 77 7.038 7.038 7.433 -0.395 18393 2689 1 7 . 1 1 64 64 LEU N N 78 122.083 122.083 122.306 -0.223 18393 2690 1 7 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.149 0.379 18393 2691 1 7 . 1 1 64 64 LEU C C 78 178.601 178.601 178.698 -0.097 18393 2692 1 7 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.972 -0.514 18393 2693 1 7 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.018 -0.764 18393 2694 1 7 . 1 1 64 64 LEU H H 78 7.694 7.694 8.172 -0.478 18393 2695 1 7 . 1 1 65 65 LEU N N 79 120.548 120.548 118.713 1.835 18393 2696 1 7 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.005 -0.141 18393 2697 1 7 . 1 1 65 65 LEU C C 79 178.861 178.861 179.028 -0.167 18393 2698 1 7 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.328 0.149 18393 2699 1 7 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.519 0.099 18393 2700 1 7 . 1 1 65 65 LEU H H 79 8.671 8.671 8.587 0.084 18393 2701 1 7 . 1 1 66 66 GLU N N 80 117.398 117.398 118.230 -0.832 18393 2702 1 7 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.077 -0.018 18393 2703 1 7 . 1 1 66 66 GLU C C 80 178.957 178.957 177.992 0.965 18393 2704 1 7 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.577 0.759 18393 2705 1 7 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.203 0.178 18393 2706 1 7 . 1 1 66 66 GLU H H 80 7.613 7.613 7.696 -0.083 18393 2707 1 7 . 1 1 67 67 LEU N N 81 120.633 120.633 120.488 0.145 18393 2708 1 7 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.109 0.051 18393 2709 1 7 . 1 1 67 67 LEU C C 81 180.162 180.162 179.198 0.964 18393 2710 1 7 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.658 0.455 18393 2711 1 7 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.419 -0.362 18393 2712 1 7 . 1 1 67 67 LEU H H 81 7.656 7.656 7.418 0.238 18393 2713 1 7 . 1 1 68 68 LEU N N 82 118.949 118.949 119.636 -0.687 18393 2714 1 7 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.171 -0.008 18393 2715 1 7 . 1 1 68 68 LEU C C 82 178.289 178.289 178.616 -0.327 18393 2716 1 7 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.586 0.269 18393 2717 1 7 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.086 0.932 18393 2718 1 7 . 1 1 68 68 LEU H H 82 8.583 8.583 8.755 -0.172 18393 2719 1 7 . 1 1 69 69 ASN N N 83 116.570 116.570 116.603 -0.033 18393 2720 1 7 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.705 0.024 18393 2721 1 7 . 1 1 69 69 ASN C C 83 174.784 174.784 175.247 -0.463 18393 2722 1 7 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.824 -0.085 18393 2723 1 7 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.664 0.484 18393 2724 1 7 . 1 1 69 69 ASN H H 83 7.920 7.920 7.889 0.031 18393 2725 1 7 . 1 1 70 70 LYS N N 84 120.363 120.363 120.135 0.228 18393 2726 1 7 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.618 -0.214 18393 2727 1 7 . 1 1 70 70 LYS C C 84 175.910 175.910 175.589 0.321 18393 2728 1 7 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.192 1.644 18393 2729 1 7 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.945 0.054 18393 2730 1 7 . 1 1 70 70 LYS H H 84 7.593 7.593 7.547 0.046 18393 2731 1 8 . 1 1 2 2 ASP N N 16 119.381 119.381 121.672 -2.291 18393 2732 1 8 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.484 -0.144 18393 2733 1 8 . 1 1 2 2 ASP C C 16 178.935 178.935 178.065 0.870 18393 2734 1 8 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.577 0.131 18393 2735 1 8 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.485 0.196 18393 2736 1 8 . 1 1 2 2 ASP H H 16 8.320 8.320 8.819 -0.499 18393 2737 1 8 . 1 1 3 3 ILE N N 17 121.475 121.475 119.159 2.316 18393 2738 1 8 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.780 -0.234 18393 2739 1 8 . 1 1 3 3 ILE C C 17 177.116 177.116 177.778 -0.662 18393 2740 1 8 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.306 0.927 18393 2741 1 8 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.319 0.382 18393 2742 1 8 . 1 1 3 3 ILE H H 17 7.793 7.793 8.207 -0.414 18393 2743 1 8 . 1 1 4 4 CYS N N 18 117.506 117.506 118.625 -1.119 18393 2744 1 8 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.439 -0.497 18393 2745 1 8 . 1 1 4 4 CYS C C 18 176.671 176.671 176.729 -0.058 18393 2746 1 8 . 1 1 4 4 CYS CA C 18 64.624 64.624 61.834 2.790 18393 2747 1 8 . 1 1 4 4 CYS CB C 18 25.965 25.965 27.089 -1.124 18393 2748 1 8 . 1 1 4 4 CYS H H 18 7.823 7.823 7.711 0.112 18393 2749 1 8 . 1 1 5 5 LEU N N 19 118.832 118.832 122.771 -3.939 18393 2750 1 8 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.155 -0.059 18393 2751 1 8 . 1 1 5 5 LEU C C 19 180.698 180.698 179.380 1.318 18393 2752 1 8 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.859 0.077 18393 2753 1 8 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.901 0.166 18393 2754 1 8 . 1 1 5 5 LEU H H 19 8.101 8.101 8.456 -0.355 18393 2755 1 8 . 1 1 6 6 ARG N N 20 119.443 119.443 120.294 -0.851 18393 2756 1 8 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.947 -0.013 18393 2757 1 8 . 1 1 6 6 ARG C C 20 178.169 178.169 177.794 0.375 18393 2758 1 8 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.880 -0.005 18393 2759 1 8 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.100 -0.120 18393 2760 1 8 . 1 1 6 6 ARG H H 20 7.934 7.934 8.566 -0.632 18393 2761 1 8 . 1 1 7 7 LYS N N 21 116.636 116.636 116.203 0.433 18393 2762 1 8 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.847 -0.074 18393 2763 1 8 . 1 1 7 7 LYS C C 21 175.224 175.224 175.719 -0.495 18393 2764 1 8 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.230 -0.152 18393 2765 1 8 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.912 -0.395 18393 2766 1 8 . 1 1 7 7 LYS H H 21 7.553 7.553 7.338 0.215 18393 2767 1 8 . 1 1 8 8 ASN N N 22 114.898 114.898 114.338 0.560 18393 2768 1 8 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.447 -0.145 18393 2769 1 8 . 1 1 8 8 ASN C C 22 174.073 174.073 174.728 -0.655 18393 2770 1 8 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.316 0.117 18393 2771 1 8 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.518 -0.501 18393 2772 1 8 . 1 1 8 8 ASN H H 22 7.640 7.640 7.752 -0.112 18393 2773 1 8 . 1 1 9 9 TRP N N 23 120.563 120.563 119.858 0.705 18393 2774 1 8 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.045 0.196 18393 2775 1 8 . 1 1 9 9 TRP C C 23 173.601 173.601 175.235 -1.634 18393 2776 1 8 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.717 -2.897 18393 2777 1 8 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.395 1.179 18393 2778 1 8 . 1 1 9 9 TRP H H 23 8.692 8.692 7.724 0.968 18393 2779 1 8 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.498 -0.039 18393 2780 1 8 . 1 1 10 10 PRO C C 24 175.391 175.391 176.332 -0.941 18393 2781 1 8 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.551 -0.453 18393 2782 1 8 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.721 -1.139 18393 2783 1 8 . 1 1 11 11 MET N N 25 116.562 116.562 117.340 -0.778 18393 2784 1 8 . 1 1 11 11 MET HA H 25 4.751 4.751 4.780 -0.029 18393 2785 1 8 . 1 1 11 11 MET C C 25 175.240 175.240 174.990 0.250 18393 2786 1 8 . 1 1 11 11 MET CA C 25 53.800 53.800 53.244 0.556 18393 2787 1 8 . 1 1 11 11 MET CB C 25 30.695 30.695 30.889 -0.194 18393 2788 1 8 . 1 1 11 11 MET H H 25 8.201 8.201 8.436 -0.235 18393 2789 1 8 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.682 -0.358 18393 2790 1 8 . 1 1 12 12 PRO C C 26 174.890 174.890 176.170 -1.280 18393 2791 1 8 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.558 0.923 18393 2792 1 8 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.710 0.015 18393 2793 1 8 . 1 1 13 13 SER N N 27 116.608 116.608 115.783 0.825 18393 2794 1 8 . 1 1 13 13 SER HA H 27 4.781 4.781 4.682 0.099 18393 2795 1 8 . 1 1 13 13 SER C C 27 173.365 173.365 173.473 -0.108 18393 2796 1 8 . 1 1 13 13 SER CA C 27 57.219 57.219 58.376 -1.157 18393 2797 1 8 . 1 1 13 13 SER CB C 27 64.227 64.227 63.948 0.279 18393 2798 1 8 . 1 1 13 13 SER H H 27 8.555 8.555 8.543 0.012 18393 2799 1 8 . 1 1 14 14 TYR N N 28 125.256 125.256 122.603 2.653 18393 2800 1 8 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.086 0.535 18393 2801 1 8 . 1 1 14 14 TYR C C 28 176.175 176.175 174.682 1.493 18393 2802 1 8 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.898 -0.335 18393 2803 1 8 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.951 0.910 18393 2804 1 8 . 1 1 14 14 TYR H H 28 8.939 8.939 8.565 0.374 18393 2805 1 8 . 1 1 15 15 ARG N N 29 120.540 120.540 125.524 -4.984 18393 2806 1 8 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.585 -0.043 18393 2807 1 8 . 1 1 15 15 ARG C C 29 173.134 173.134 174.630 -1.496 18393 2808 1 8 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.603 -0.783 18393 2809 1 8 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.193 0.528 18393 2810 1 8 . 1 1 15 15 ARG H H 29 9.159 9.159 9.369 -0.210 18393 2811 1 8 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.656 -1.759 18393 2812 1 8 . 1 1 16 16 CYS C C 30 174.180 174.180 175.572 -1.392 18393 2813 1 8 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.685 -1.966 18393 2814 1 8 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.104 -1.998 18393 2815 1 8 . 1 1 17 17 VAL N N 31 132.259 132.259 122.814 9.445 18393 2816 1 8 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.156 -0.505 18393 2817 1 8 . 1 1 17 17 VAL C C 31 175.711 175.711 175.812 -0.101 18393 2818 1 8 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.464 0.622 18393 2819 1 8 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.276 0.236 18393 2820 1 8 . 1 1 17 17 VAL H H 31 8.659 8.659 8.445 0.214 18393 2821 1 8 . 1 1 18 18 LYS N N 32 118.630 118.630 121.272 -2.642 18393 2822 1 8 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.586 -0.226 18393 2823 1 8 . 1 1 18 18 LYS C C 32 173.015 173.015 174.466 -1.451 18393 2824 1 8 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.686 0.716 18393 2825 1 8 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.319 0.685 18393 2826 1 8 . 1 1 18 18 LYS H H 32 7.673 7.673 8.195 -0.522 18393 2827 1 8 . 1 1 19 19 GLU N N 33 125.800 125.800 126.064 -0.264 18393 2828 1 8 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.679 0.174 18393 2829 1 8 . 1 1 19 19 GLU C C 33 175.060 175.060 175.473 -0.413 18393 2830 1 8 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.544 -0.980 18393 2831 1 8 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.291 -0.154 18393 2832 1 8 . 1 1 19 19 GLU H H 33 8.431 8.431 8.660 -0.229 18393 2833 1 8 . 1 1 20 20 GLY N N 34 111.079 111.079 113.127 -2.048 18393 2834 1 8 . 1 1 20 20 GLY C C 34 172.318 172.318 173.479 -1.161 18393 2835 1 8 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.261 -0.620 18393 2836 1 8 . 1 1 20 20 GLY H H 34 8.345 8.345 9.072 -0.727 18393 2837 1 8 . 1 1 21 21 GLY N N 35 107.395 107.395 106.653 0.742 18393 2838 1 8 . 1 1 21 21 GLY C C 35 171.757 171.757 171.694 0.063 18393 2839 1 8 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.518 -0.781 18393 2840 1 8 . 1 1 21 21 GLY H H 35 8.184 8.184 8.161 0.023 18393 2841 1 8 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.492 -0.016 18393 2842 1 8 . 1 1 22 22 PRO C C 36 177.171 177.171 177.295 -0.124 18393 2843 1 8 . 1 1 22 22 PRO CA C 36 62.263 62.263 62.227 0.036 18393 2844 1 8 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.766 0.495 18393 2845 1 8 . 1 1 23 23 ALA N N 37 120.595 120.595 124.491 -3.896 18393 2846 1 8 . 1 1 23 23 ALA HA H 37 3.823 3.823 3.980 -0.157 18393 2847 1 8 . 1 1 23 23 ALA C C 37 178.547 178.547 179.027 -0.480 18393 2848 1 8 . 1 1 23 23 ALA CA C 37 55.493 55.493 54.919 0.574 18393 2849 1 8 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.465 0.086 18393 2850 1 8 . 1 1 23 23 ALA H H 37 8.580 8.580 8.512 0.068 18393 2851 1 8 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.452 0.163 18393 2852 1 8 . 1 1 24 24 HIS C C 38 174.890 174.890 175.045 -0.155 18393 2853 1 8 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.062 -1.201 18393 2854 1 8 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.639 0.721 18393 2855 1 8 . 1 1 25 25 ALA N N 39 128.271 128.271 122.119 6.152 18393 2856 1 8 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.505 -0.031 18393 2857 1 8 . 1 1 25 25 ALA C C 39 174.351 174.351 176.069 -1.718 18393 2858 1 8 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.038 0.278 18393 2859 1 8 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.486 -1.375 18393 2860 1 8 . 1 1 25 25 ALA H H 39 7.697 7.697 7.815 -0.118 18393 2861 1 8 . 1 1 26 26 LYS N N 40 121.927 121.927 120.332 1.595 18393 2862 1 8 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.210 -0.092 18393 2863 1 8 . 1 1 26 26 LYS C C 40 177.551 177.551 175.052 2.499 18393 2864 1 8 . 1 1 26 26 LYS CA C 40 56.144 56.144 55.364 0.781 18393 2865 1 8 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.384 0.688 18393 2866 1 8 . 1 1 26 26 LYS H H 40 7.990 7.990 7.447 0.543 18393 2867 1 8 . 1 1 27 27 ARG N N 41 119.572 119.572 118.108 1.464 18393 2868 1 8 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.321 0.317 18393 2869 1 8 . 1 1 27 27 ARG C C 41 174.770 174.770 175.362 -0.592 18393 2870 1 8 . 1 1 27 27 ARG CA C 41 53.478 53.478 54.331 -0.853 18393 2871 1 8 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.478 2.912 18393 2872 1 8 . 1 1 27 27 ARG H H 41 8.296 8.296 7.523 0.773 18393 2873 1 8 . 1 1 28 28 PHE N N 42 120.381 120.381 122.483 -2.102 18393 2874 1 8 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.237 -0.190 18393 2875 1 8 . 1 1 28 28 PHE C C 42 174.407 174.407 175.912 -1.505 18393 2876 1 8 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.132 1.894 18393 2877 1 8 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.471 2.658 18393 2878 1 8 . 1 1 28 28 PHE H H 42 9.339 9.339 9.017 0.322 18393 2879 1 8 . 1 1 29 29 THR N N 43 117.999 117.999 120.549 -2.550 18393 2880 1 8 . 1 1 29 29 THR HA H 43 4.704 4.704 4.814 -0.110 18393 2881 1 8 . 1 1 29 29 THR C C 43 173.713 173.713 172.921 0.792 18393 2882 1 8 . 1 1 29 29 THR CA C 43 62.117 62.117 61.869 0.248 18393 2883 1 8 . 1 1 29 29 THR CB C 43 70.104 70.104 70.441 -0.337 18393 2884 1 8 . 1 1 29 29 THR H H 43 8.949 8.949 9.059 -0.110 18393 2885 1 8 . 1 1 30 30 PHE N N 44 129.592 129.592 126.703 2.889 18393 2886 1 8 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.956 0.439 18393 2887 1 8 . 1 1 30 30 PHE C C 44 173.221 173.221 172.763 0.458 18393 2888 1 8 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.190 0.233 18393 2889 1 8 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.708 1.209 18393 2890 1 8 . 1 1 30 30 PHE H H 44 10.048 10.048 8.824 1.224 18393 2891 1 8 . 1 1 31 31 GLY N N 45 105.921 105.921 109.600 -3.679 18393 2892 1 8 . 1 1 31 31 GLY C C 45 172.774 172.774 171.494 1.280 18393 2893 1 8 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.358 0.180 18393 2894 1 8 . 1 1 31 31 GLY H H 45 9.290 9.290 7.797 1.493 18393 2895 1 8 . 1 1 32 32 VAL N N 46 121.311 121.311 121.137 0.174 18393 2896 1 8 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.708 0.642 18393 2897 1 8 . 1 1 32 32 VAL C C 46 171.140 171.140 174.875 -3.735 18393 2898 1 8 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.625 -0.793 18393 2899 1 8 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.347 2.040 18393 2900 1 8 . 1 1 32 32 VAL H H 46 8.906 8.906 7.737 1.169 18393 2901 1 8 . 1 1 33 33 ARG N N 47 122.102 122.102 120.607 1.495 18393 2902 1 8 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.110 -0.539 18393 2903 1 8 . 1 1 33 33 ARG C C 47 173.683 173.683 174.375 -0.692 18393 2904 1 8 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.675 0.283 18393 2905 1 8 . 1 1 33 33 ARG CB C 47 35.716 35.716 34.053 1.663 18393 2906 1 8 . 1 1 33 33 ARG H H 47 8.008 8.008 7.851 0.157 18393 2907 1 8 . 1 1 34 34 VAL N N 48 117.391 117.391 119.954 -2.563 18393 2908 1 8 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.537 0.250 18393 2909 1 8 . 1 1 34 34 VAL C C 48 172.777 172.777 173.624 -0.847 18393 2910 1 8 . 1 1 34 34 VAL CA C 48 59.970 59.970 59.896 0.074 18393 2911 1 8 . 1 1 34 34 VAL CB C 48 36.312 36.312 35.893 0.419 18393 2912 1 8 . 1 1 34 34 VAL H H 48 8.103 8.103 9.121 -1.018 18393 2913 1 8 . 1 1 35 35 ASN N N 49 127.065 127.065 122.177 4.888 18393 2914 1 8 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.405 -0.869 18393 2915 1 8 . 1 1 35 35 ASN C C 49 174.221 174.221 174.178 0.043 18393 2916 1 8 . 1 1 35 35 ASN CA C 49 50.607 50.607 50.978 -0.371 18393 2917 1 8 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.686 -2.944 18393 2918 1 8 . 1 1 35 35 ASN H H 49 8.543 8.543 8.586 -0.043 18393 2919 1 8 . 1 1 36 36 THR N N 50 114.402 114.402 114.905 -0.503 18393 2920 1 8 . 1 1 36 36 THR HA H 50 2.159 2.159 2.981 -0.822 18393 2921 1 8 . 1 1 36 36 THR C C 50 175.168 175.168 175.593 -0.425 18393 2922 1 8 . 1 1 36 36 THR CA C 50 61.126 61.126 61.465 -0.339 18393 2923 1 8 . 1 1 36 36 THR CB C 50 69.987 69.987 68.854 1.133 18393 2924 1 8 . 1 1 36 36 THR H H 50 6.801 6.801 7.757 -0.956 18393 2925 1 8 . 1 1 37 37 SER N N 51 114.587 114.587 119.185 -4.598 18393 2926 1 8 . 1 1 37 37 SER HA H 51 4.105 4.105 4.044 0.061 18393 2927 1 8 . 1 1 37 37 SER C C 51 174.760 174.760 174.670 0.090 18393 2928 1 8 . 1 1 37 37 SER CA C 51 59.958 59.958 61.151 -1.193 18393 2929 1 8 . 1 1 37 37 SER CB C 51 63.115 63.115 63.170 -0.055 18393 2930 1 8 . 1 1 37 37 SER H H 51 6.797 6.797 8.668 -1.871 18393 2931 1 8 . 1 1 38 38 ASP N N 52 117.329 117.329 117.031 0.298 18393 2932 1 8 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.616 -0.027 18393 2933 1 8 . 1 1 38 38 ASP C C 52 177.236 177.236 176.545 0.691 18393 2934 1 8 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.433 0.117 18393 2935 1 8 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.920 -0.314 18393 2936 1 8 . 1 1 38 38 ASP H H 52 8.784 8.784 8.069 0.715 18393 2937 1 8 . 1 1 39 39 ARG N N 53 118.330 118.330 120.427 -2.097 18393 2938 1 8 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.398 0.098 18393 2939 1 8 . 1 1 39 39 ARG C C 53 176.062 176.062 176.198 -0.136 18393 2940 1 8 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.003 -0.953 18393 2941 1 8 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.009 -1.568 18393 2942 1 8 . 1 1 39 39 ARG H H 53 7.666 7.666 7.796 -0.130 18393 2943 1 8 . 1 1 40 40 GLY N N 54 110.510 110.510 106.957 3.553 18393 2944 1 8 . 1 1 40 40 GLY C C 54 177.680 177.680 172.671 5.009 18393 2945 1 8 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.138 0.539 18393 2946 1 8 . 1 1 40 40 GLY H H 54 7.248 7.248 7.666 -0.418 18393 2947 1 8 . 1 1 41 41 TRP N N 55 123.328 123.328 123.192 0.136 18393 2948 1 8 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.715 0.204 18393 2949 1 8 . 1 1 41 41 TRP C C 55 178.873 178.873 177.406 1.467 18393 2950 1 8 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.529 0.588 18393 2951 1 8 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.267 0.507 18393 2952 1 8 . 1 1 41 41 TRP H H 55 8.289 8.289 8.289 -0.000 18393 2953 1 8 . 1 1 42 42 THR N N 56 114.627 114.627 117.659 -3.032 18393 2954 1 8 . 1 1 42 42 THR HA H 56 4.329 4.329 4.373 -0.044 18393 2955 1 8 . 1 1 42 42 THR C C 56 175.261 175.261 174.822 0.439 18393 2956 1 8 . 1 1 42 42 THR CA C 56 61.698 61.698 61.250 0.448 18393 2957 1 8 . 1 1 42 42 THR CB C 56 72.359 72.359 69.948 2.411 18393 2958 1 8 . 1 1 42 42 THR H H 56 8.972 8.972 8.621 0.351 18393 2959 1 8 . 1 1 43 43 ASP N N 57 120.151 120.151 120.375 -0.224 18393 2960 1 8 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.391 0.054 18393 2961 1 8 . 1 1 43 43 ASP C C 57 175.710 175.710 176.450 -0.740 18393 2962 1 8 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.208 1.169 18393 2963 1 8 . 1 1 43 43 ASP CB C 57 40.872 40.872 40.965 -0.092 18393 2964 1 8 . 1 1 43 43 ASP H H 57 8.379 8.379 8.361 0.018 18393 2965 1 8 . 1 1 44 44 GLU N N 58 122.449 122.449 123.186 -0.737 18393 2966 1 8 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.510 -0.045 18393 2967 1 8 . 1 1 44 44 GLU C C 58 176.412 176.412 176.805 -0.393 18393 2968 1 8 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.874 -1.403 18393 2969 1 8 . 1 1 44 44 GLU CB C 58 31.058 31.058 30.186 0.872 18393 2970 1 8 . 1 1 44 44 GLU H H 58 8.581 8.581 8.525 0.056 18393 2971 1 8 . 1 1 45 45 CYS N N 59 126.725 126.725 127.029 -0.304 18393 2972 1 8 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.536 0.159 18393 2973 1 8 . 1 1 45 45 CYS C C 59 173.364 173.364 174.126 -0.762 18393 2974 1 8 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.511 1.409 18393 2975 1 8 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.076 3.608 18393 2976 1 8 . 1 1 45 45 CYS H H 59 8.671 8.671 8.921 -0.250 18393 2977 1 8 . 1 1 46 46 ILE N N 60 126.614 126.614 126.996 -0.382 18393 2978 1 8 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.186 0.507 18393 2979 1 8 . 1 1 46 46 ILE C C 60 176.175 176.175 176.731 -0.556 18393 2980 1 8 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.221 -0.445 18393 2981 1 8 . 1 1 46 46 ILE CB C 60 38.346 38.346 38.062 0.284 18393 2982 1 8 . 1 1 46 46 ILE H H 60 8.735 8.735 8.143 0.592 18393 2983 1 8 . 1 1 47 47 GLY N N 61 112.366 112.366 116.929 -4.563 18393 2984 1 8 . 1 1 47 47 GLY C C 61 171.844 171.844 173.547 -1.703 18393 2985 1 8 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.130 0.153 18393 2986 1 8 . 1 1 47 47 GLY H H 61 8.610 8.610 8.725 -0.115 18393 2987 1 8 . 1 1 48 48 GLU N N 62 115.030 115.030 120.458 -5.428 18393 2988 1 8 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.672 -0.127 18393 2989 1 8 . 1 1 48 48 GLU C C 62 174.927 174.927 174.590 0.337 18393 2990 1 8 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.991 -0.109 18393 2991 1 8 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.181 0.168 18393 2992 1 8 . 1 1 48 48 GLU H H 62 8.214 8.214 8.005 0.209 18393 2993 1 8 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.513 0.351 18393 2994 1 8 . 1 1 49 49 PRO C C 63 178.286 178.286 176.134 2.152 18393 2995 1 8 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.609 -1.349 18393 2996 1 8 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.809 -0.542 18393 2997 1 8 . 1 1 50 50 MET N N 64 123.505 123.505 124.221 -0.716 18393 2998 1 8 . 1 1 50 50 MET HA H 64 5.530 5.530 4.968 0.562 18393 2999 1 8 . 1 1 50 50 MET C C 64 176.337 176.337 174.445 1.892 18393 3000 1 8 . 1 1 50 50 MET CA C 64 51.674 51.674 51.771 -0.097 18393 3001 1 8 . 1 1 50 50 MET CB C 64 37.597 37.597 34.078 3.519 18393 3002 1 8 . 1 1 50 50 MET H H 64 9.267 9.267 8.914 0.353 18393 3003 1 8 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.364 0.722 18393 3004 1 8 . 1 1 51 51 PRO C C 65 174.862 174.862 175.375 -0.513 18393 3005 1 8 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.858 0.808 18393 3006 1 8 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.771 0.756 18393 3007 1 8 . 1 1 52 52 SER N N 66 109.598 109.598 113.307 -3.709 18393 3008 1 8 . 1 1 52 52 SER HA H 66 4.813 4.813 4.966 -0.153 18393 3009 1 8 . 1 1 52 52 SER C C 66 173.368 173.368 174.516 -1.148 18393 3010 1 8 . 1 1 52 52 SER CA C 66 55.463 55.463 57.013 -1.550 18393 3011 1 8 . 1 1 52 52 SER CB C 66 66.775 66.775 66.715 0.061 18393 3012 1 8 . 1 1 52 52 SER H H 66 7.165 7.165 7.326 -0.161 18393 3013 1 8 . 1 1 53 53 VAL N N 67 124.347 124.347 122.239 2.108 18393 3014 1 8 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.978 -1.148 18393 3015 1 8 . 1 1 53 53 VAL C C 67 177.116 177.116 176.796 0.320 18393 3016 1 8 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.114 1.715 18393 3017 1 8 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.715 -0.391 18393 3018 1 8 . 1 1 53 53 VAL H H 67 8.522 8.522 8.802 -0.280 18393 3019 1 8 . 1 1 54 54 LYS N N 68 118.639 118.639 119.810 -1.171 18393 3020 1 8 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.136 -0.667 18393 3021 1 8 . 1 1 54 54 LYS C C 68 178.286 178.286 178.777 -0.491 18393 3022 1 8 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.155 1.195 18393 3023 1 8 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.474 0.890 18393 3024 1 8 . 1 1 54 54 LYS H H 68 8.098 8.098 8.693 -0.595 18393 3025 1 8 . 1 1 55 55 LYS N N 69 115.388 115.388 118.128 -2.740 18393 3026 1 8 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.667 -0.573 18393 3027 1 8 . 1 1 55 55 LYS C C 69 179.694 179.694 178.561 1.133 18393 3028 1 8 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.294 0.534 18393 3029 1 8 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.018 0.821 18393 3030 1 8 . 1 1 55 55 LYS H H 69 7.499 7.499 7.560 -0.061 18393 3031 1 8 . 1 1 56 56 ALA N N 70 124.226 124.226 124.775 -0.549 18393 3032 1 8 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.168 -0.019 18393 3033 1 8 . 1 1 56 56 ALA C C 70 181.217 181.217 179.493 1.724 18393 3034 1 8 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.294 0.423 18393 3035 1 8 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.478 2.032 18393 3036 1 8 . 1 1 56 56 ALA H H 70 8.296 8.296 7.849 0.447 18393 3037 1 8 . 1 1 57 57 LYS N N 71 120.522 120.522 118.204 2.318 18393 3038 1 8 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.172 -0.529 18393 3039 1 8 . 1 1 57 57 LYS C C 71 177.937 177.937 178.991 -1.054 18393 3040 1 8 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.249 0.838 18393 3041 1 8 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.935 0.193 18393 3042 1 8 . 1 1 57 57 LYS H H 71 8.385 8.385 7.516 0.869 18393 3043 1 8 . 1 1 58 58 ASP N N 72 119.428 119.428 119.897 -0.469 18393 3044 1 8 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.430 -0.124 18393 3045 1 8 . 1 1 58 58 ASP C C 72 177.042 177.042 178.883 -1.841 18393 3046 1 8 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.554 0.586 18393 3047 1 8 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.450 -0.325 18393 3048 1 8 . 1 1 58 58 ASP H H 72 8.029 8.029 7.734 0.295 18393 3049 1 8 . 1 1 59 59 SER N N 73 111.435 111.435 115.549 -4.114 18393 3050 1 8 . 1 1 59 59 SER HA H 73 4.243 4.243 4.178 0.065 18393 3051 1 8 . 1 1 59 59 SER C C 73 177.000 177.000 176.361 0.639 18393 3052 1 8 . 1 1 59 59 SER CA C 73 63.579 63.579 61.236 2.343 18393 3053 1 8 . 1 1 59 59 SER CB C 73 60.947 60.947 62.897 -1.950 18393 3054 1 8 . 1 1 59 59 SER H H 73 7.785 7.785 8.161 -0.376 18393 3055 1 8 . 1 1 60 60 ALA N N 74 120.363 120.363 123.778 -3.415 18393 3056 1 8 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.990 -0.027 18393 3057 1 8 . 1 1 60 60 ALA C C 74 178.170 178.170 179.381 -1.211 18393 3058 1 8 . 1 1 60 60 ALA CA C 74 55.498 55.498 55.039 0.459 18393 3059 1 8 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.406 -0.495 18393 3060 1 8 . 1 1 60 60 ALA H H 74 7.472 7.472 7.770 -0.298 18393 3061 1 8 . 1 1 61 61 ALA N N 75 118.116 118.116 121.771 -3.655 18393 3062 1 8 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.078 -0.130 18393 3063 1 8 . 1 1 61 61 ALA C C 75 179.341 179.341 179.525 -0.184 18393 3064 1 8 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.291 0.369 18393 3065 1 8 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.425 0.517 18393 3066 1 8 . 1 1 61 61 ALA H H 75 8.653 8.653 8.722 -0.069 18393 3067 1 8 . 1 1 62 62 VAL N N 76 115.858 115.858 117.707 -1.849 18393 3068 1 8 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.773 -0.117 18393 3069 1 8 . 1 1 62 62 VAL C C 76 178.051 178.051 178.154 -0.103 18393 3070 1 8 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.584 0.067 18393 3071 1 8 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.127 0.720 18393 3072 1 8 . 1 1 62 62 VAL H H 76 8.124 8.124 7.951 0.173 18393 3073 1 8 . 1 1 63 63 LEU N N 77 119.881 119.881 118.985 0.896 18393 3074 1 8 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.423 -0.234 18393 3075 1 8 . 1 1 63 63 LEU C C 77 179.692 179.692 179.813 -0.121 18393 3076 1 8 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.130 0.454 18393 3077 1 8 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.571 0.345 18393 3078 1 8 . 1 1 63 63 LEU H H 77 7.038 7.038 7.262 -0.224 18393 3079 1 8 . 1 1 64 64 LEU N N 78 122.083 122.083 121.943 0.140 18393 3080 1 8 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.134 0.394 18393 3081 1 8 . 1 1 64 64 LEU C C 78 178.601 178.601 178.578 0.023 18393 3082 1 8 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.845 -0.387 18393 3083 1 8 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.935 -0.681 18393 3084 1 8 . 1 1 64 64 LEU H H 78 7.694 7.694 8.247 -0.553 18393 3085 1 8 . 1 1 65 65 LEU N N 79 120.548 120.548 118.523 2.025 18393 3086 1 8 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.007 -0.143 18393 3087 1 8 . 1 1 65 65 LEU C C 79 178.861 178.861 179.338 -0.477 18393 3088 1 8 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.185 0.292 18393 3089 1 8 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.359 0.259 18393 3090 1 8 . 1 1 65 65 LEU H H 79 8.671 8.671 8.566 0.105 18393 3091 1 8 . 1 1 66 66 GLU N N 80 117.398 117.398 118.416 -1.018 18393 3092 1 8 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.027 0.032 18393 3093 1 8 . 1 1 66 66 GLU C C 80 178.957 178.957 177.904 1.053 18393 3094 1 8 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.943 0.393 18393 3095 1 8 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.568 -0.187 18393 3096 1 8 . 1 1 66 66 GLU H H 80 7.613 7.613 7.476 0.137 18393 3097 1 8 . 1 1 67 67 LEU N N 81 120.633 120.633 120.157 0.476 18393 3098 1 8 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.120 0.040 18393 3099 1 8 . 1 1 67 67 LEU C C 81 180.162 180.162 179.034 1.128 18393 3100 1 8 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.747 0.366 18393 3101 1 8 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.352 -0.295 18393 3102 1 8 . 1 1 67 67 LEU H H 81 7.656 7.656 7.463 0.193 18393 3103 1 8 . 1 1 68 68 LEU N N 82 118.949 118.949 116.131 2.818 18393 3104 1 8 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.181 -0.018 18393 3105 1 8 . 1 1 68 68 LEU C C 82 178.289 178.289 177.559 0.730 18393 3106 1 8 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.105 0.750 18393 3107 1 8 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.135 0.883 18393 3108 1 8 . 1 1 68 68 LEU H H 82 8.583 8.583 8.512 0.071 18393 3109 1 8 . 1 1 69 69 ASN N N 83 116.570 116.570 114.966 1.604 18393 3110 1 8 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.716 0.013 18393 3111 1 8 . 1 1 69 69 ASN C C 83 174.784 174.784 175.298 -0.514 18393 3112 1 8 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.714 0.025 18393 3113 1 8 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.316 -0.168 18393 3114 1 8 . 1 1 69 69 ASN H H 83 7.920 7.920 7.739 0.181 18393 3115 1 8 . 1 1 70 70 LYS N N 84 120.363 120.363 119.027 1.336 18393 3116 1 8 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.452 -0.048 18393 3117 1 8 . 1 1 70 70 LYS C C 84 175.910 175.910 175.304 0.606 18393 3118 1 8 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.643 1.193 18393 3119 1 8 . 1 1 70 70 LYS CB C 84 32.999 32.999 33.338 -0.339 18393 3120 1 8 . 1 1 70 70 LYS H H 84 7.593 7.593 7.740 -0.147 18393 3121 1 9 . 1 1 2 2 ASP N N 16 119.381 119.381 120.966 -1.585 18393 3122 1 9 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.352 -0.012 18393 3123 1 9 . 1 1 2 2 ASP C C 16 178.935 178.935 177.827 1.108 18393 3124 1 9 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.487 0.221 18393 3125 1 9 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.954 -0.273 18393 3126 1 9 . 1 1 2 2 ASP H H 16 8.320 8.320 8.606 -0.286 18393 3127 1 9 . 1 1 3 3 ILE N N 17 121.475 121.475 119.488 1.987 18393 3128 1 9 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.836 -0.290 18393 3129 1 9 . 1 1 3 3 ILE C C 17 177.116 177.116 177.588 -0.472 18393 3130 1 9 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.267 0.966 18393 3131 1 9 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.528 0.173 18393 3132 1 9 . 1 1 3 3 ILE H H 17 7.793 7.793 7.962 -0.169 18393 3133 1 9 . 1 1 4 4 CYS N N 18 117.506 117.506 118.984 -1.478 18393 3134 1 9 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.350 -0.408 18393 3135 1 9 . 1 1 4 4 CYS C C 18 176.671 176.671 176.823 -0.152 18393 3136 1 9 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.205 2.419 18393 3137 1 9 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.687 -0.722 18393 3138 1 9 . 1 1 4 4 CYS H H 18 7.823 7.823 8.004 -0.181 18393 3139 1 9 . 1 1 5 5 LEU N N 19 118.832 118.832 121.778 -2.946 18393 3140 1 9 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.171 -0.075 18393 3141 1 9 . 1 1 5 5 LEU C C 19 180.698 180.698 179.338 1.360 18393 3142 1 9 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.886 0.051 18393 3143 1 9 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.924 0.142 18393 3144 1 9 . 1 1 5 5 LEU H H 19 8.101 8.101 8.232 -0.131 18393 3145 1 9 . 1 1 6 6 ARG N N 20 119.443 119.443 119.811 -0.368 18393 3146 1 9 . 1 1 6 6 ARG HA H 20 3.934 3.934 4.011 -0.077 18393 3147 1 9 . 1 1 6 6 ARG C C 20 178.169 178.169 177.702 0.467 18393 3148 1 9 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.519 0.356 18393 3149 1 9 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.185 -0.205 18393 3150 1 9 . 1 1 6 6 ARG H H 20 7.934 7.934 7.782 0.152 18393 3151 1 9 . 1 1 7 7 LYS N N 21 116.636 116.636 116.594 0.042 18393 3152 1 9 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.896 -0.123 18393 3153 1 9 . 1 1 7 7 LYS C C 21 175.224 175.224 175.662 -0.438 18393 3154 1 9 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.132 -0.054 18393 3155 1 9 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.464 0.053 18393 3156 1 9 . 1 1 7 7 LYS H H 21 7.553 7.553 7.543 0.010 18393 3157 1 9 . 1 1 8 8 ASN N N 22 114.898 114.898 114.644 0.254 18393 3158 1 9 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.434 -0.132 18393 3159 1 9 . 1 1 8 8 ASN C C 22 174.073 174.073 174.740 -0.667 18393 3160 1 9 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.262 0.171 18393 3161 1 9 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.560 -0.543 18393 3162 1 9 . 1 1 8 8 ASN H H 22 7.640 7.640 7.468 0.172 18393 3163 1 9 . 1 1 9 9 TRP N N 23 120.563 120.563 119.580 0.983 18393 3164 1 9 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.059 0.181 18393 3165 1 9 . 1 1 9 9 TRP C C 23 173.601 173.601 175.246 -1.645 18393 3166 1 9 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.642 -2.822 18393 3167 1 9 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.455 1.119 18393 3168 1 9 . 1 1 9 9 TRP H H 23 8.692 8.692 7.572 1.120 18393 3169 1 9 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.483 -0.024 18393 3170 1 9 . 1 1 10 10 PRO C C 24 175.391 175.391 176.184 -0.793 18393 3171 1 9 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.490 -0.392 18393 3172 1 9 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.773 -1.190 18393 3173 1 9 . 1 1 11 11 MET N N 25 116.562 116.562 117.550 -0.988 18393 3174 1 9 . 1 1 11 11 MET HA H 25 4.751 4.751 4.731 0.020 18393 3175 1 9 . 1 1 11 11 MET C C 25 175.240 175.240 174.990 0.250 18393 3176 1 9 . 1 1 11 11 MET CA C 25 53.800 53.800 53.392 0.408 18393 3177 1 9 . 1 1 11 11 MET CB C 25 30.695 30.695 31.006 -0.311 18393 3178 1 9 . 1 1 11 11 MET H H 25 8.201 8.201 8.377 -0.176 18393 3179 1 9 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.667 -0.343 18393 3180 1 9 . 1 1 12 12 PRO C C 26 174.890 174.890 176.024 -1.134 18393 3181 1 9 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.628 0.853 18393 3182 1 9 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.705 0.020 18393 3183 1 9 . 1 1 13 13 SER N N 27 116.608 116.608 115.257 1.351 18393 3184 1 9 . 1 1 13 13 SER HA H 27 4.781 4.781 4.751 0.030 18393 3185 1 9 . 1 1 13 13 SER C C 27 173.365 173.365 173.449 -0.084 18393 3186 1 9 . 1 1 13 13 SER CA C 27 57.219 57.219 58.267 -1.048 18393 3187 1 9 . 1 1 13 13 SER CB C 27 64.227 64.227 63.967 0.260 18393 3188 1 9 . 1 1 13 13 SER H H 27 8.555 8.555 8.685 -0.130 18393 3189 1 9 . 1 1 14 14 TYR N N 28 125.256 125.256 124.144 1.112 18393 3190 1 9 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.124 0.497 18393 3191 1 9 . 1 1 14 14 TYR C C 28 176.175 176.175 174.696 1.479 18393 3192 1 9 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.872 -0.309 18393 3193 1 9 . 1 1 14 14 TYR CB C 28 41.861 41.861 41.070 0.791 18393 3194 1 9 . 1 1 14 14 TYR H H 28 8.939 8.939 8.669 0.270 18393 3195 1 9 . 1 1 15 15 ARG N N 29 120.540 120.540 125.505 -4.965 18393 3196 1 9 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.602 -0.060 18393 3197 1 9 . 1 1 15 15 ARG C C 29 173.134 173.134 174.453 -1.319 18393 3198 1 9 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.625 -0.805 18393 3199 1 9 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.257 0.464 18393 3200 1 9 . 1 1 15 15 ARG H H 29 9.159 9.159 9.364 -0.205 18393 3201 1 9 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.592 -1.695 18393 3202 1 9 . 1 1 16 16 CYS C C 30 174.180 174.180 175.246 -1.066 18393 3203 1 9 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.234 -1.515 18393 3204 1 9 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.259 -2.153 18393 3205 1 9 . 1 1 17 17 VAL N N 31 132.259 132.259 126.382 5.877 18393 3206 1 9 . 1 1 17 17 VAL HA H 31 3.651 3.651 3.981 -0.330 18393 3207 1 9 . 1 1 17 17 VAL C C 31 175.711 175.711 176.166 -0.455 18393 3208 1 9 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.409 -0.323 18393 3209 1 9 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.099 0.413 18393 3210 1 9 . 1 1 17 17 VAL H H 31 8.659 8.659 8.832 -0.173 18393 3211 1 9 . 1 1 18 18 LYS N N 32 118.630 118.630 118.235 0.395 18393 3212 1 9 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.778 -0.418 18393 3213 1 9 . 1 1 18 18 LYS C C 32 173.015 173.015 174.782 -1.767 18393 3214 1 9 . 1 1 18 18 LYS CA C 32 56.402 56.402 54.697 1.705 18393 3215 1 9 . 1 1 18 18 LYS CB C 32 36.004 36.004 36.884 -0.880 18393 3216 1 9 . 1 1 18 18 LYS H H 32 7.673 7.673 8.256 -0.583 18393 3217 1 9 . 1 1 19 19 GLU N N 33 125.800 125.800 118.764 7.036 18393 3218 1 9 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.933 -0.080 18393 3219 1 9 . 1 1 19 19 GLU C C 33 175.060 175.060 175.872 -0.812 18393 3220 1 9 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.386 -0.822 18393 3221 1 9 . 1 1 19 19 GLU CB C 33 32.137 32.137 31.955 0.182 18393 3222 1 9 . 1 1 19 19 GLU H H 33 8.431 8.431 8.468 -0.037 18393 3223 1 9 . 1 1 20 20 GLY N N 34 111.079 111.079 110.558 0.521 18393 3224 1 9 . 1 1 20 20 GLY C C 34 172.318 172.318 174.154 -1.836 18393 3225 1 9 . 1 1 20 20 GLY CA C 34 44.641 44.641 46.142 -1.501 18393 3226 1 9 . 1 1 20 20 GLY H H 34 8.345 8.345 9.047 -0.702 18393 3227 1 9 . 1 1 21 21 GLY N N 35 107.395 107.395 108.755 -1.360 18393 3228 1 9 . 1 1 21 21 GLY C C 35 171.757 171.757 171.717 0.040 18393 3229 1 9 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.906 -1.169 18393 3230 1 9 . 1 1 21 21 GLY H H 35 8.184 8.184 7.932 0.252 18393 3231 1 9 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.573 -0.097 18393 3232 1 9 . 1 1 22 22 PRO C C 36 177.171 177.171 177.674 -0.503 18393 3233 1 9 . 1 1 22 22 PRO CA C 36 62.263 62.263 62.002 0.261 18393 3234 1 9 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.812 0.449 18393 3235 1 9 . 1 1 23 23 ALA N N 37 120.595 120.595 122.109 -1.514 18393 3236 1 9 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.026 -0.203 18393 3237 1 9 . 1 1 23 23 ALA C C 37 178.547 178.547 178.219 0.328 18393 3238 1 9 . 1 1 23 23 ALA CA C 37 55.493 55.493 54.199 1.294 18393 3239 1 9 . 1 1 23 23 ALA CB C 37 18.551 18.551 17.974 0.577 18393 3240 1 9 . 1 1 23 23 ALA H H 37 8.580 8.580 8.312 0.268 18393 3241 1 9 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.477 0.138 18393 3242 1 9 . 1 1 24 24 HIS C C 38 174.890 174.890 174.428 0.462 18393 3243 1 9 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.185 -0.324 18393 3244 1 9 . 1 1 24 24 HIS CB C 38 30.360 30.360 30.072 0.288 18393 3245 1 9 . 1 1 25 25 ALA N N 39 128.271 128.271 122.637 5.634 18393 3246 1 9 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.548 -0.074 18393 3247 1 9 . 1 1 25 25 ALA C C 39 174.351 174.351 175.437 -1.086 18393 3248 1 9 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.390 -0.074 18393 3249 1 9 . 1 1 25 25 ALA CB C 39 18.111 18.111 20.012 -1.901 18393 3250 1 9 . 1 1 25 25 ALA H H 39 7.697 7.697 7.635 0.062 18393 3251 1 9 . 1 1 26 26 LYS N N 40 121.927 121.927 122.409 -0.482 18393 3252 1 9 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.473 -0.355 18393 3253 1 9 . 1 1 26 26 LYS C C 40 177.551 177.551 174.925 2.626 18393 3254 1 9 . 1 1 26 26 LYS CA C 40 56.144 56.144 55.068 1.076 18393 3255 1 9 . 1 1 26 26 LYS CB C 40 33.072 33.072 33.672 -0.600 18393 3256 1 9 . 1 1 26 26 LYS H H 40 7.990 7.990 8.530 -0.540 18393 3257 1 9 . 1 1 27 27 ARG N N 41 119.572 119.572 119.085 0.487 18393 3258 1 9 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.203 0.435 18393 3259 1 9 . 1 1 27 27 ARG C C 41 174.770 174.770 174.538 0.232 18393 3260 1 9 . 1 1 27 27 ARG CA C 41 53.478 53.478 54.396 -0.918 18393 3261 1 9 . 1 1 27 27 ARG CB C 41 33.390 33.390 29.699 3.691 18393 3262 1 9 . 1 1 27 27 ARG H H 41 8.296 8.296 7.543 0.753 18393 3263 1 9 . 1 1 28 28 PHE N N 42 120.381 120.381 122.674 -2.293 18393 3264 1 9 . 1 1 28 28 PHE HA H 42 5.047 5.047 4.928 0.119 18393 3265 1 9 . 1 1 28 28 PHE C C 42 174.407 174.407 175.617 -1.210 18393 3266 1 9 . 1 1 28 28 PHE CA C 42 57.026 57.026 54.812 2.214 18393 3267 1 9 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.892 2.237 18393 3268 1 9 . 1 1 28 28 PHE H H 42 9.339 9.339 8.832 0.507 18393 3269 1 9 . 1 1 29 29 THR N N 43 117.999 117.999 119.381 -1.382 18393 3270 1 9 . 1 1 29 29 THR HA H 43 4.704 4.704 4.768 -0.064 18393 3271 1 9 . 1 1 29 29 THR C C 43 173.713 173.713 172.727 0.986 18393 3272 1 9 . 1 1 29 29 THR CA C 43 62.117 62.117 61.758 0.359 18393 3273 1 9 . 1 1 29 29 THR CB C 43 70.104 70.104 71.045 -0.941 18393 3274 1 9 . 1 1 29 29 THR H H 43 8.949 8.949 8.471 0.478 18393 3275 1 9 . 1 1 30 30 PHE N N 44 129.592 129.592 127.163 2.429 18393 3276 1 9 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.939 0.456 18393 3277 1 9 . 1 1 30 30 PHE C C 44 173.221 173.221 172.945 0.276 18393 3278 1 9 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.678 0.745 18393 3279 1 9 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.512 1.405 18393 3280 1 9 . 1 1 30 30 PHE H H 44 10.048 10.048 8.903 1.145 18393 3281 1 9 . 1 1 31 31 GLY N N 45 105.921 105.921 110.582 -4.661 18393 3282 1 9 . 1 1 31 31 GLY C C 45 172.774 172.774 171.207 1.567 18393 3283 1 9 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.313 0.225 18393 3284 1 9 . 1 1 31 31 GLY H H 45 9.290 9.290 7.996 1.294 18393 3285 1 9 . 1 1 32 32 VAL N N 46 121.311 121.311 123.133 -1.822 18393 3286 1 9 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.751 0.599 18393 3287 1 9 . 1 1 32 32 VAL C C 46 171.140 171.140 173.630 -2.490 18393 3288 1 9 . 1 1 32 32 VAL CA C 46 58.832 58.832 58.495 0.337 18393 3289 1 9 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.604 1.783 18393 3290 1 9 . 1 1 32 32 VAL H H 46 8.906 8.906 7.937 0.969 18393 3291 1 9 . 1 1 33 33 ARG N N 47 122.102 122.102 124.558 -2.456 18393 3292 1 9 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.118 -0.547 18393 3293 1 9 . 1 1 33 33 ARG C C 47 173.683 173.683 174.231 -0.548 18393 3294 1 9 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.158 0.800 18393 3295 1 9 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.853 1.863 18393 3296 1 9 . 1 1 33 33 ARG H H 47 8.008 8.008 7.845 0.163 18393 3297 1 9 . 1 1 34 34 VAL N N 48 117.391 117.391 119.361 -1.970 18393 3298 1 9 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.484 0.303 18393 3299 1 9 . 1 1 34 34 VAL C C 48 172.777 172.777 173.755 -0.978 18393 3300 1 9 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.631 -0.661 18393 3301 1 9 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.412 -0.100 18393 3302 1 9 . 1 1 34 34 VAL H H 48 8.103 8.103 9.169 -1.066 18393 3303 1 9 . 1 1 35 35 ASN N N 49 127.065 127.065 121.353 5.712 18393 3304 1 9 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.446 -0.910 18393 3305 1 9 . 1 1 35 35 ASN C C 49 174.221 174.221 174.076 0.145 18393 3306 1 9 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.076 -0.469 18393 3307 1 9 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.665 -2.923 18393 3308 1 9 . 1 1 35 35 ASN H H 49 8.543 8.543 8.733 -0.190 18393 3309 1 9 . 1 1 36 36 THR N N 50 114.402 114.402 115.572 -1.170 18393 3310 1 9 . 1 1 36 36 THR HA H 50 2.159 2.159 2.804 -0.645 18393 3311 1 9 . 1 1 36 36 THR C C 50 175.168 175.168 174.994 0.174 18393 3312 1 9 . 1 1 36 36 THR CA C 50 61.126 61.126 61.461 -0.335 18393 3313 1 9 . 1 1 36 36 THR CB C 50 69.987 69.987 68.867 1.120 18393 3314 1 9 . 1 1 36 36 THR H H 50 6.801 6.801 7.952 -1.151 18393 3315 1 9 . 1 1 37 37 SER N N 51 114.587 114.587 120.163 -5.576 18393 3316 1 9 . 1 1 37 37 SER HA H 51 4.105 4.105 4.030 0.075 18393 3317 1 9 . 1 1 37 37 SER C C 51 174.760 174.760 174.720 0.040 18393 3318 1 9 . 1 1 37 37 SER CA C 51 59.958 59.958 61.177 -1.219 18393 3319 1 9 . 1 1 37 37 SER CB C 51 63.115 63.115 62.922 0.193 18393 3320 1 9 . 1 1 37 37 SER H H 51 6.797 6.797 8.506 -1.709 18393 3321 1 9 . 1 1 38 38 ASP N N 52 117.329 117.329 119.244 -1.915 18393 3322 1 9 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.578 0.011 18393 3323 1 9 . 1 1 38 38 ASP C C 52 177.236 177.236 176.495 0.741 18393 3324 1 9 . 1 1 38 38 ASP CA C 52 54.550 54.550 55.638 -1.088 18393 3325 1 9 . 1 1 38 38 ASP CB C 52 40.606 40.606 41.077 -0.471 18393 3326 1 9 . 1 1 38 38 ASP H H 52 8.784 8.784 8.364 0.420 18393 3327 1 9 . 1 1 39 39 ARG N N 53 118.330 118.330 116.070 2.260 18393 3328 1 9 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.488 0.008 18393 3329 1 9 . 1 1 39 39 ARG C C 53 176.062 176.062 176.244 -0.182 18393 3330 1 9 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.794 -0.744 18393 3331 1 9 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.578 -2.137 18393 3332 1 9 . 1 1 39 39 ARG H H 53 7.666 7.666 8.027 -0.361 18393 3333 1 9 . 1 1 40 40 GLY N N 54 110.510 110.510 107.447 3.063 18393 3334 1 9 . 1 1 40 40 GLY C C 54 177.680 177.680 172.626 5.054 18393 3335 1 9 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.165 0.512 18393 3336 1 9 . 1 1 40 40 GLY H H 54 7.248 7.248 7.894 -0.646 18393 3337 1 9 . 1 1 41 41 TRP N N 55 123.328 123.328 123.537 -0.209 18393 3338 1 9 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.741 0.178 18393 3339 1 9 . 1 1 41 41 TRP C C 55 178.873 178.873 177.420 1.453 18393 3340 1 9 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.410 0.707 18393 3341 1 9 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.442 0.332 18393 3342 1 9 . 1 1 41 41 TRP H H 55 8.289 8.289 8.252 0.037 18393 3343 1 9 . 1 1 42 42 THR N N 56 114.627 114.627 118.847 -4.220 18393 3344 1 9 . 1 1 42 42 THR HA H 56 4.329 4.329 4.372 -0.043 18393 3345 1 9 . 1 1 42 42 THR C C 56 175.261 175.261 174.639 0.622 18393 3346 1 9 . 1 1 42 42 THR CA C 56 61.698 61.698 61.347 0.351 18393 3347 1 9 . 1 1 42 42 THR CB C 56 72.359 72.359 69.827 2.532 18393 3348 1 9 . 1 1 42 42 THR H H 56 8.972 8.972 8.642 0.330 18393 3349 1 9 . 1 1 43 43 ASP N N 57 120.151 120.151 121.735 -1.584 18393 3350 1 9 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.452 -0.007 18393 3351 1 9 . 1 1 43 43 ASP C C 57 175.710 175.710 176.387 -0.677 18393 3352 1 9 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.973 0.404 18393 3353 1 9 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.214 -0.342 18393 3354 1 9 . 1 1 43 43 ASP H H 57 8.379 8.379 8.375 0.004 18393 3355 1 9 . 1 1 44 44 GLU N N 58 122.449 122.449 124.232 -1.783 18393 3356 1 9 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.331 0.134 18393 3357 1 9 . 1 1 44 44 GLU C C 58 176.412 176.412 176.567 -0.155 18393 3358 1 9 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.897 -1.426 18393 3359 1 9 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.805 1.253 18393 3360 1 9 . 1 1 44 44 GLU H H 58 8.581 8.581 8.573 0.008 18393 3361 1 9 . 1 1 45 45 CYS N N 59 126.725 126.725 128.000 -1.275 18393 3362 1 9 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.488 0.207 18393 3363 1 9 . 1 1 45 45 CYS C C 59 173.364 173.364 174.100 -0.736 18393 3364 1 9 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.960 0.960 18393 3365 1 9 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.496 3.188 18393 3366 1 9 . 1 1 45 45 CYS H H 59 8.671 8.671 8.972 -0.301 18393 3367 1 9 . 1 1 46 46 ILE N N 60 126.614 126.614 127.097 -0.483 18393 3368 1 9 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.305 0.388 18393 3369 1 9 . 1 1 46 46 ILE C C 60 176.175 176.175 177.185 -1.010 18393 3370 1 9 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.270 -0.494 18393 3371 1 9 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.936 0.410 18393 3372 1 9 . 1 1 46 46 ILE H H 60 8.735 8.735 8.199 0.536 18393 3373 1 9 . 1 1 47 47 GLY N N 61 112.366 112.366 117.930 -5.564 18393 3374 1 9 . 1 1 47 47 GLY C C 61 171.844 171.844 173.286 -1.442 18393 3375 1 9 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.445 -0.162 18393 3376 1 9 . 1 1 47 47 GLY H H 61 8.610 8.610 8.690 -0.080 18393 3377 1 9 . 1 1 48 48 GLU N N 62 115.030 115.030 120.964 -5.934 18393 3378 1 9 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.598 -0.053 18393 3379 1 9 . 1 1 48 48 GLU C C 62 174.927 174.927 174.957 -0.030 18393 3380 1 9 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.072 -0.190 18393 3381 1 9 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.332 0.017 18393 3382 1 9 . 1 1 48 48 GLU H H 62 8.214 8.214 8.129 0.085 18393 3383 1 9 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.435 0.429 18393 3384 1 9 . 1 1 49 49 PRO C C 63 178.286 178.286 176.102 2.184 18393 3385 1 9 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.613 -1.353 18393 3386 1 9 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.610 -0.343 18393 3387 1 9 . 1 1 50 50 MET N N 64 123.505 123.505 125.223 -1.718 18393 3388 1 9 . 1 1 50 50 MET HA H 64 5.530 5.530 4.910 0.620 18393 3389 1 9 . 1 1 50 50 MET C C 64 176.337 176.337 174.863 1.474 18393 3390 1 9 . 1 1 50 50 MET CA C 64 51.674 51.674 51.661 0.013 18393 3391 1 9 . 1 1 50 50 MET CB C 64 37.597 37.597 34.046 3.551 18393 3392 1 9 . 1 1 50 50 MET H H 64 9.267 9.267 8.710 0.557 18393 3393 1 9 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.386 0.700 18393 3394 1 9 . 1 1 51 51 PRO C C 65 174.862 174.862 175.819 -0.957 18393 3395 1 9 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.822 0.844 18393 3396 1 9 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.429 1.098 18393 3397 1 9 . 1 1 52 52 SER N N 66 109.598 109.598 112.331 -2.733 18393 3398 1 9 . 1 1 52 52 SER HA H 66 4.813 4.813 4.925 -0.112 18393 3399 1 9 . 1 1 52 52 SER C C 66 173.368 173.368 174.848 -1.480 18393 3400 1 9 . 1 1 52 52 SER CA C 66 55.463 55.463 56.474 -1.011 18393 3401 1 9 . 1 1 52 52 SER CB C 66 66.775 66.775 65.586 1.189 18393 3402 1 9 . 1 1 52 52 SER H H 66 7.165 7.165 7.136 0.029 18393 3403 1 9 . 1 1 53 53 VAL N N 67 124.347 124.347 123.132 1.215 18393 3404 1 9 . 1 1 53 53 VAL HA H 67 2.830 2.830 4.089 -1.259 18393 3405 1 9 . 1 1 53 53 VAL C C 67 177.116 177.116 176.664 0.452 18393 3406 1 9 . 1 1 53 53 VAL CA C 67 66.829 66.829 64.852 1.977 18393 3407 1 9 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.791 -0.467 18393 3408 1 9 . 1 1 53 53 VAL H H 67 8.522 8.522 8.952 -0.430 18393 3409 1 9 . 1 1 54 54 LYS N N 68 118.639 118.639 120.623 -1.984 18393 3410 1 9 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.014 -0.545 18393 3411 1 9 . 1 1 54 54 LYS C C 68 178.286 178.286 178.082 0.204 18393 3412 1 9 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.510 0.840 18393 3413 1 9 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.499 -0.135 18393 3414 1 9 . 1 1 54 54 LYS H H 68 8.098 8.098 7.699 0.399 18393 3415 1 9 . 1 1 55 55 LYS N N 69 115.388 115.388 117.147 -1.759 18393 3416 1 9 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.404 -0.310 18393 3417 1 9 . 1 1 55 55 LYS C C 69 179.694 179.694 178.382 1.312 18393 3418 1 9 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.074 0.754 18393 3419 1 9 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.013 0.826 18393 3420 1 9 . 1 1 55 55 LYS H H 69 7.499 7.499 7.642 -0.143 18393 3421 1 9 . 1 1 56 56 ALA N N 70 124.226 124.226 124.458 -0.232 18393 3422 1 9 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.158 -0.009 18393 3423 1 9 . 1 1 56 56 ALA C C 70 181.217 181.217 179.956 1.261 18393 3424 1 9 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.242 0.474 18393 3425 1 9 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.372 2.138 18393 3426 1 9 . 1 1 56 56 ALA H H 70 8.296 8.296 7.940 0.356 18393 3427 1 9 . 1 1 57 57 LYS N N 71 120.522 120.522 118.758 1.764 18393 3428 1 9 . 1 1 57 57 LYS HA H 71 3.643 3.643 3.909 -0.266 18393 3429 1 9 . 1 1 57 57 LYS C C 71 177.937 177.937 178.798 -0.861 18393 3430 1 9 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.343 0.744 18393 3431 1 9 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.912 0.216 18393 3432 1 9 . 1 1 57 57 LYS H H 71 8.385 8.385 7.506 0.879 18393 3433 1 9 . 1 1 58 58 ASP N N 72 119.428 119.428 119.474 -0.046 18393 3434 1 9 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.409 -0.103 18393 3435 1 9 . 1 1 58 58 ASP C C 72 177.042 177.042 178.836 -1.794 18393 3436 1 9 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.731 0.409 18393 3437 1 9 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.770 -0.645 18393 3438 1 9 . 1 1 58 58 ASP H H 72 8.029 8.029 7.754 0.275 18393 3439 1 9 . 1 1 59 59 SER N N 73 111.435 111.435 115.352 -3.917 18393 3440 1 9 . 1 1 59 59 SER HA H 73 4.243 4.243 4.208 0.035 18393 3441 1 9 . 1 1 59 59 SER C C 73 177.000 177.000 176.503 0.497 18393 3442 1 9 . 1 1 59 59 SER CA C 73 63.579 63.579 61.770 1.809 18393 3443 1 9 . 1 1 59 59 SER CB C 73 60.947 60.947 62.726 -1.779 18393 3444 1 9 . 1 1 59 59 SER H H 73 7.785 7.785 8.104 -0.319 18393 3445 1 9 . 1 1 60 60 ALA N N 74 120.363 120.363 124.505 -4.142 18393 3446 1 9 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.116 -0.153 18393 3447 1 9 . 1 1 60 60 ALA C C 74 178.170 178.170 179.167 -0.997 18393 3448 1 9 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.609 0.889 18393 3449 1 9 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.349 -0.438 18393 3450 1 9 . 1 1 60 60 ALA H H 74 7.472 7.472 7.622 -0.150 18393 3451 1 9 . 1 1 61 61 ALA N N 75 118.116 118.116 121.418 -3.302 18393 3452 1 9 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.175 -0.227 18393 3453 1 9 . 1 1 61 61 ALA C C 75 179.341 179.341 179.695 -0.354 18393 3454 1 9 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.035 0.625 18393 3455 1 9 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.677 0.265 18393 3456 1 9 . 1 1 61 61 ALA H H 75 8.653 8.653 8.592 0.061 18393 3457 1 9 . 1 1 62 62 VAL N N 76 115.858 115.858 118.700 -2.842 18393 3458 1 9 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.753 -0.097 18393 3459 1 9 . 1 1 62 62 VAL C C 76 178.051 178.051 177.753 0.298 18393 3460 1 9 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.510 0.141 18393 3461 1 9 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.697 0.150 18393 3462 1 9 . 1 1 62 62 VAL H H 76 8.124 8.124 7.866 0.258 18393 3463 1 9 . 1 1 63 63 LEU N N 77 119.881 119.881 118.979 0.902 18393 3464 1 9 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.090 0.099 18393 3465 1 9 . 1 1 63 63 LEU C C 77 179.692 179.692 178.893 0.799 18393 3466 1 9 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.340 0.244 18393 3467 1 9 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.517 0.399 18393 3468 1 9 . 1 1 63 63 LEU H H 77 7.038 7.038 7.123 -0.085 18393 3469 1 9 . 1 1 64 64 LEU N N 78 122.083 122.083 121.452 0.631 18393 3470 1 9 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.161 0.367 18393 3471 1 9 . 1 1 64 64 LEU C C 78 178.601 178.601 178.430 0.171 18393 3472 1 9 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.697 -0.239 18393 3473 1 9 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.779 -0.525 18393 3474 1 9 . 1 1 64 64 LEU H H 78 7.694 7.694 8.263 -0.569 18393 3475 1 9 . 1 1 65 65 LEU N N 79 120.548 120.548 117.759 2.789 18393 3476 1 9 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.042 -0.178 18393 3477 1 9 . 1 1 65 65 LEU C C 79 178.861 178.861 178.179 0.682 18393 3478 1 9 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.946 0.531 18393 3479 1 9 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.320 0.298 18393 3480 1 9 . 1 1 65 65 LEU H H 79 8.671 8.671 7.815 0.856 18393 3481 1 9 . 1 1 66 66 GLU N N 80 117.398 117.398 115.810 1.588 18393 3482 1 9 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.234 -0.175 18393 3483 1 9 . 1 1 66 66 GLU C C 80 178.957 178.957 179.244 -0.287 18393 3484 1 9 . 1 1 66 66 GLU CA C 80 59.336 59.336 57.792 1.544 18393 3485 1 9 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.787 -0.406 18393 3486 1 9 . 1 1 66 66 GLU H H 80 7.613 7.613 7.515 0.098 18393 3487 1 9 . 1 1 67 67 LEU N N 81 120.633 120.633 122.486 -1.853 18393 3488 1 9 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.132 0.028 18393 3489 1 9 . 1 1 67 67 LEU C C 81 180.162 180.162 178.896 1.266 18393 3490 1 9 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.765 0.348 18393 3491 1 9 . 1 1 67 67 LEU CB C 81 42.057 42.057 41.943 0.114 18393 3492 1 9 . 1 1 67 67 LEU H H 81 7.656 7.656 7.984 -0.328 18393 3493 1 9 . 1 1 68 68 LEU N N 82 118.949 118.949 117.658 1.291 18393 3494 1 9 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.325 -0.162 18393 3495 1 9 . 1 1 68 68 LEU C C 82 178.289 178.289 178.013 0.276 18393 3496 1 9 . 1 1 68 68 LEU CA C 82 57.855 57.855 56.154 1.702 18393 3497 1 9 . 1 1 68 68 LEU CB C 82 42.018 42.018 40.533 1.485 18393 3498 1 9 . 1 1 68 68 LEU H H 82 8.583 8.583 8.542 0.041 18393 3499 1 9 . 1 1 69 69 ASN N N 83 116.570 116.570 116.271 0.299 18393 3500 1 9 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.731 -0.002 18393 3501 1 9 . 1 1 69 69 ASN C C 83 174.784 174.784 175.507 -0.723 18393 3502 1 9 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.573 0.166 18393 3503 1 9 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.035 0.113 18393 3504 1 9 . 1 1 69 69 ASN H H 83 7.920 7.920 7.599 0.321 18393 3505 1 9 . 1 1 70 70 LYS N N 84 120.363 120.363 119.741 0.622 18393 3506 1 9 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.653 -0.249 18393 3507 1 9 . 1 1 70 70 LYS C C 84 175.910 175.910 174.795 1.115 18393 3508 1 9 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.732 1.104 18393 3509 1 9 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.724 0.275 18393 3510 1 9 . 1 1 70 70 LYS H H 84 7.593 7.593 7.850 -0.257 18393 3511 1 10 . 1 1 2 2 ASP N N 16 119.381 119.381 121.464 -2.083 18393 3512 1 10 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.430 -0.090 18393 3513 1 10 . 1 1 2 2 ASP C C 16 178.935 178.935 178.205 0.730 18393 3514 1 10 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.930 -0.222 18393 3515 1 10 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.726 -0.045 18393 3516 1 10 . 1 1 2 2 ASP H H 16 8.320 8.320 8.648 -0.328 18393 3517 1 10 . 1 1 3 3 ILE N N 17 121.475 121.475 120.814 0.661 18393 3518 1 10 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.898 -0.352 18393 3519 1 10 . 1 1 3 3 ILE C C 17 177.116 177.116 178.336 -1.220 18393 3520 1 10 . 1 1 3 3 ILE CA C 17 65.233 65.233 63.851 1.382 18393 3521 1 10 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.407 0.294 18393 3522 1 10 . 1 1 3 3 ILE H H 17 7.793 7.793 7.982 -0.189 18393 3523 1 10 . 1 1 4 4 CYS N N 18 117.506 117.506 118.600 -1.094 18393 3524 1 10 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.279 -0.337 18393 3525 1 10 . 1 1 4 4 CYS C C 18 176.671 176.671 177.141 -0.470 18393 3526 1 10 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.947 1.677 18393 3527 1 10 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.833 -0.868 18393 3528 1 10 . 1 1 4 4 CYS H H 18 7.823 7.823 8.100 -0.277 18393 3529 1 10 . 1 1 5 5 LEU N N 19 118.832 118.832 122.304 -3.472 18393 3530 1 10 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.307 -0.211 18393 3531 1 10 . 1 1 5 5 LEU C C 19 180.698 180.698 179.349 1.349 18393 3532 1 10 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.838 0.099 18393 3533 1 10 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.866 0.200 18393 3534 1 10 . 1 1 5 5 LEU H H 19 8.101 8.101 8.540 -0.439 18393 3535 1 10 . 1 1 6 6 ARG N N 20 119.443 119.443 120.191 -0.748 18393 3536 1 10 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.960 -0.026 18393 3537 1 10 . 1 1 6 6 ARG C C 20 178.169 178.169 177.715 0.454 18393 3538 1 10 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.749 0.126 18393 3539 1 10 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.106 -0.126 18393 3540 1 10 . 1 1 6 6 ARG H H 20 7.934 7.934 8.223 -0.289 18393 3541 1 10 . 1 1 7 7 LYS N N 21 116.636 116.636 116.182 0.454 18393 3542 1 10 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.900 -0.127 18393 3543 1 10 . 1 1 7 7 LYS C C 21 175.224 175.224 175.653 -0.429 18393 3544 1 10 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.119 -0.041 18393 3545 1 10 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.556 -0.039 18393 3546 1 10 . 1 1 7 7 LYS H H 21 7.553 7.553 7.337 0.216 18393 3547 1 10 . 1 1 8 8 ASN N N 22 114.898 114.898 115.350 -0.452 18393 3548 1 10 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.397 -0.095 18393 3549 1 10 . 1 1 8 8 ASN C C 22 174.073 174.073 174.128 -0.055 18393 3550 1 10 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.591 -0.158 18393 3551 1 10 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.619 -0.602 18393 3552 1 10 . 1 1 8 8 ASN H H 22 7.640 7.640 7.765 -0.125 18393 3553 1 10 . 1 1 9 9 TRP N N 23 120.563 120.563 119.364 1.199 18393 3554 1 10 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.068 0.173 18393 3555 1 10 . 1 1 9 9 TRP C C 23 173.601 173.601 174.531 -0.930 18393 3556 1 10 . 1 1 9 9 TRP CA C 23 51.820 51.820 53.855 -2.035 18393 3557 1 10 . 1 1 9 9 TRP CB C 23 29.574 29.574 27.887 1.687 18393 3558 1 10 . 1 1 9 9 TRP H H 23 8.692 8.692 7.600 1.092 18393 3559 1 10 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.420 0.039 18393 3560 1 10 . 1 1 10 10 PRO C C 24 175.391 175.391 176.717 -1.326 18393 3561 1 10 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.685 -0.587 18393 3562 1 10 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.356 -0.774 18393 3563 1 10 . 1 1 11 11 MET N N 25 116.562 116.562 117.709 -1.147 18393 3564 1 10 . 1 1 11 11 MET HA H 25 4.751 4.751 4.733 0.018 18393 3565 1 10 . 1 1 11 11 MET C C 25 175.240 175.240 174.863 0.377 18393 3566 1 10 . 1 1 11 11 MET CA C 25 53.800 53.800 52.823 0.977 18393 3567 1 10 . 1 1 11 11 MET CB C 25 30.695 30.695 31.128 -0.433 18393 3568 1 10 . 1 1 11 11 MET H H 25 8.201 8.201 8.391 -0.190 18393 3569 1 10 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.649 -0.325 18393 3570 1 10 . 1 1 12 12 PRO C C 26 174.890 174.890 176.139 -1.249 18393 3571 1 10 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.913 0.568 18393 3572 1 10 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.631 0.094 18393 3573 1 10 . 1 1 13 13 SER N N 27 116.608 116.608 115.621 0.987 18393 3574 1 10 . 1 1 13 13 SER HA H 27 4.781 4.781 4.723 0.058 18393 3575 1 10 . 1 1 13 13 SER C C 27 173.365 173.365 173.595 -0.230 18393 3576 1 10 . 1 1 13 13 SER CA C 27 57.219 57.219 58.468 -1.248 18393 3577 1 10 . 1 1 13 13 SER CB C 27 64.227 64.227 64.004 0.223 18393 3578 1 10 . 1 1 13 13 SER H H 27 8.555 8.555 8.521 0.034 18393 3579 1 10 . 1 1 14 14 TYR N N 28 125.256 125.256 123.301 1.955 18393 3580 1 10 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.082 0.539 18393 3581 1 10 . 1 1 14 14 TYR C C 28 176.175 176.175 174.704 1.471 18393 3582 1 10 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.821 -0.258 18393 3583 1 10 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.814 1.047 18393 3584 1 10 . 1 1 14 14 TYR H H 28 8.939 8.939 8.611 0.328 18393 3585 1 10 . 1 1 15 15 ARG N N 29 120.540 120.540 126.026 -5.486 18393 3586 1 10 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.724 -0.182 18393 3587 1 10 . 1 1 15 15 ARG C C 29 173.134 173.134 175.048 -1.914 18393 3588 1 10 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.088 -0.268 18393 3589 1 10 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.184 0.537 18393 3590 1 10 . 1 1 15 15 ARG H H 29 9.159 9.159 9.044 0.115 18393 3591 1 10 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.533 -1.636 18393 3592 1 10 . 1 1 16 16 CYS C C 30 174.180 174.180 175.795 -1.615 18393 3593 1 10 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.557 -1.838 18393 3594 1 10 . 1 1 16 16 CYS CB C 30 26.106 26.106 27.928 -1.822 18393 3595 1 10 . 1 1 17 17 VAL N N 31 132.259 132.259 123.482 8.777 18393 3596 1 10 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.231 -0.580 18393 3597 1 10 . 1 1 17 17 VAL C C 31 175.711 175.711 175.560 0.151 18393 3598 1 10 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.776 0.310 18393 3599 1 10 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.446 0.066 18393 3600 1 10 . 1 1 17 17 VAL H H 31 8.659 8.659 8.505 0.154 18393 3601 1 10 . 1 1 18 18 LYS N N 32 118.630 118.630 121.471 -2.841 18393 3602 1 10 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.603 -0.243 18393 3603 1 10 . 1 1 18 18 LYS C C 32 173.015 173.015 174.574 -1.559 18393 3604 1 10 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.724 0.678 18393 3605 1 10 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.196 0.808 18393 3606 1 10 . 1 1 18 18 LYS H H 32 7.673 7.673 8.169 -0.496 18393 3607 1 10 . 1 1 19 19 GLU N N 33 125.800 125.800 126.195 -0.395 18393 3608 1 10 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.769 0.084 18393 3609 1 10 . 1 1 19 19 GLU C C 33 175.060 175.060 175.761 -0.701 18393 3610 1 10 . 1 1 19 19 GLU CA C 33 54.564 54.564 54.687 -0.123 18393 3611 1 10 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.472 -0.335 18393 3612 1 10 . 1 1 19 19 GLU H H 33 8.431 8.431 8.672 -0.241 18393 3613 1 10 . 1 1 20 20 GLY N N 34 111.079 111.079 112.251 -1.172 18393 3614 1 10 . 1 1 20 20 GLY C C 34 172.318 172.318 174.310 -1.992 18393 3615 1 10 . 1 1 20 20 GLY CA C 34 44.641 44.641 44.573 0.068 18393 3616 1 10 . 1 1 20 20 GLY H H 34 8.345 8.345 8.972 -0.627 18393 3617 1 10 . 1 1 21 21 GLY N N 35 107.395 107.395 109.118 -1.723 18393 3618 1 10 . 1 1 21 21 GLY C C 35 171.757 171.757 173.511 -1.754 18393 3619 1 10 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.994 -1.257 18393 3620 1 10 . 1 1 21 21 GLY H H 35 8.184 8.184 7.810 0.374 18393 3621 1 10 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.196 0.280 18393 3622 1 10 . 1 1 22 22 PRO C C 36 177.171 177.171 177.456 -0.285 18393 3623 1 10 . 1 1 22 22 PRO CA C 36 62.263 62.263 65.944 -3.681 18393 3624 1 10 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.908 0.353 18393 3625 1 10 . 1 1 23 23 ALA N N 37 120.595 120.595 114.424 6.171 18393 3626 1 10 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.285 -0.462 18393 3627 1 10 . 1 1 23 23 ALA C C 37 178.547 178.547 177.655 0.892 18393 3628 1 10 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.949 2.545 18393 3629 1 10 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.647 -0.096 18393 3630 1 10 . 1 1 23 23 ALA H H 37 8.580 8.580 7.799 0.781 18393 3631 1 10 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.596 0.019 18393 3632 1 10 . 1 1 24 24 HIS C C 38 174.890 174.890 174.454 0.436 18393 3633 1 10 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.061 -1.200 18393 3634 1 10 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.510 0.850 18393 3635 1 10 . 1 1 25 25 ALA N N 39 128.271 128.271 121.819 6.452 18393 3636 1 10 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.385 0.089 18393 3637 1 10 . 1 1 25 25 ALA C C 39 174.351 174.351 176.548 -2.197 18393 3638 1 10 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.700 -0.384 18393 3639 1 10 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.681 -1.570 18393 3640 1 10 . 1 1 25 25 ALA H H 39 7.697 7.697 7.752 -0.055 18393 3641 1 10 . 1 1 26 26 LYS N N 40 121.927 121.927 119.997 1.930 18393 3642 1 10 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.151 -0.033 18393 3643 1 10 . 1 1 26 26 LYS C C 40 177.551 177.551 175.085 2.466 18393 3644 1 10 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.506 1.638 18393 3645 1 10 . 1 1 26 26 LYS CB C 40 33.072 33.072 31.789 1.283 18393 3646 1 10 . 1 1 26 26 LYS H H 40 7.990 7.990 7.700 0.290 18393 3647 1 10 . 1 1 27 27 ARG N N 41 119.572 119.572 116.583 2.989 18393 3648 1 10 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.071 0.567 18393 3649 1 10 . 1 1 27 27 ARG C C 41 174.770 174.770 175.173 -0.403 18393 3650 1 10 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.139 -1.661 18393 3651 1 10 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.250 3.140 18393 3652 1 10 . 1 1 27 27 ARG H H 41 8.296 8.296 7.247 1.049 18393 3653 1 10 . 1 1 28 28 PHE N N 42 120.381 120.381 122.839 -2.458 18393 3654 1 10 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.107 -0.060 18393 3655 1 10 . 1 1 28 28 PHE C C 42 174.407 174.407 175.656 -1.249 18393 3656 1 10 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.495 1.531 18393 3657 1 10 . 1 1 28 28 PHE CB C 42 43.129 43.129 41.313 1.816 18393 3658 1 10 . 1 1 28 28 PHE H H 42 9.339 9.339 8.790 0.549 18393 3659 1 10 . 1 1 29 29 THR N N 43 117.999 117.999 117.211 0.788 18393 3660 1 10 . 1 1 29 29 THR HA H 43 4.704 4.704 4.850 -0.146 18393 3661 1 10 . 1 1 29 29 THR C C 43 173.713 173.713 172.867 0.846 18393 3662 1 10 . 1 1 29 29 THR CA C 43 62.117 62.117 61.475 0.642 18393 3663 1 10 . 1 1 29 29 THR CB C 43 70.104 70.104 71.447 -1.343 18393 3664 1 10 . 1 1 29 29 THR H H 43 8.949 8.949 9.048 -0.099 18393 3665 1 10 . 1 1 30 30 PHE N N 44 129.592 129.592 125.239 4.353 18393 3666 1 10 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.013 0.382 18393 3667 1 10 . 1 1 30 30 PHE C C 44 173.221 173.221 172.811 0.410 18393 3668 1 10 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.405 0.018 18393 3669 1 10 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.597 1.320 18393 3670 1 10 . 1 1 30 30 PHE H H 44 10.048 10.048 8.753 1.295 18393 3671 1 10 . 1 1 31 31 GLY N N 45 105.921 105.921 109.089 -3.168 18393 3672 1 10 . 1 1 31 31 GLY C C 45 172.774 172.774 171.476 1.298 18393 3673 1 10 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.275 0.263 18393 3674 1 10 . 1 1 31 31 GLY H H 45 9.290 9.290 7.803 1.487 18393 3675 1 10 . 1 1 32 32 VAL N N 46 121.311 121.311 121.584 -0.273 18393 3676 1 10 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.649 0.701 18393 3677 1 10 . 1 1 32 32 VAL C C 46 171.140 171.140 174.845 -3.705 18393 3678 1 10 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.815 -0.983 18393 3679 1 10 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.267 2.120 18393 3680 1 10 . 1 1 32 32 VAL H H 46 8.906 8.906 7.832 1.074 18393 3681 1 10 . 1 1 33 33 ARG N N 47 122.102 122.102 120.736 1.366 18393 3682 1 10 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.122 -0.551 18393 3683 1 10 . 1 1 33 33 ARG C C 47 173.683 173.683 174.425 -0.742 18393 3684 1 10 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.531 0.427 18393 3685 1 10 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.819 1.897 18393 3686 1 10 . 1 1 33 33 ARG H H 47 8.008 8.008 7.853 0.155 18393 3687 1 10 . 1 1 34 34 VAL N N 48 117.391 117.391 120.429 -3.038 18393 3688 1 10 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.498 0.289 18393 3689 1 10 . 1 1 34 34 VAL C C 48 172.777 172.777 173.977 -1.200 18393 3690 1 10 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.530 -0.560 18393 3691 1 10 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.051 0.261 18393 3692 1 10 . 1 1 34 34 VAL H H 48 8.103 8.103 9.218 -1.115 18393 3693 1 10 . 1 1 35 35 ASN N N 49 127.065 127.065 121.826 5.239 18393 3694 1 10 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.409 -0.873 18393 3695 1 10 . 1 1 35 35 ASN C C 49 174.221 174.221 174.105 0.116 18393 3696 1 10 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.901 -1.294 18393 3697 1 10 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.038 -3.296 18393 3698 1 10 . 1 1 35 35 ASN H H 49 8.543 8.543 8.697 -0.154 18393 3699 1 10 . 1 1 36 36 THR N N 50 114.402 114.402 115.603 -1.201 18393 3700 1 10 . 1 1 36 36 THR HA H 50 2.159 2.159 2.889 -0.730 18393 3701 1 10 . 1 1 36 36 THR C C 50 175.168 175.168 175.345 -0.177 18393 3702 1 10 . 1 1 36 36 THR CA C 50 61.126 61.126 61.351 -0.225 18393 3703 1 10 . 1 1 36 36 THR CB C 50 69.987 69.987 68.730 1.257 18393 3704 1 10 . 1 1 36 36 THR H H 50 6.801 6.801 7.882 -1.081 18393 3705 1 10 . 1 1 37 37 SER N N 51 114.587 114.587 120.581 -5.994 18393 3706 1 10 . 1 1 37 37 SER HA H 51 4.105 4.105 3.988 0.117 18393 3707 1 10 . 1 1 37 37 SER C C 51 174.760 174.760 175.063 -0.303 18393 3708 1 10 . 1 1 37 37 SER CA C 51 59.958 59.958 61.412 -1.454 18393 3709 1 10 . 1 1 37 37 SER CB C 51 63.115 63.115 63.372 -0.257 18393 3710 1 10 . 1 1 37 37 SER H H 51 6.797 6.797 8.472 -1.675 18393 3711 1 10 . 1 1 38 38 ASP N N 52 117.329 117.329 117.761 -0.432 18393 3712 1 10 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.555 0.034 18393 3713 1 10 . 1 1 38 38 ASP C C 52 177.236 177.236 176.910 0.326 18393 3714 1 10 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.725 -0.175 18393 3715 1 10 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.927 -0.321 18393 3716 1 10 . 1 1 38 38 ASP H H 52 8.784 8.784 8.133 0.651 18393 3717 1 10 . 1 1 39 39 ARG N N 53 118.330 118.330 119.412 -1.082 18393 3718 1 10 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.581 -0.085 18393 3719 1 10 . 1 1 39 39 ARG C C 53 176.062 176.062 175.970 0.092 18393 3720 1 10 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.950 -0.900 18393 3721 1 10 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.448 -2.007 18393 3722 1 10 . 1 1 39 39 ARG H H 53 7.666 7.666 8.019 -0.353 18393 3723 1 10 . 1 1 40 40 GLY N N 54 110.510 110.510 107.024 3.486 18393 3724 1 10 . 1 1 40 40 GLY C C 54 177.680 177.680 172.363 5.317 18393 3725 1 10 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.276 0.401 18393 3726 1 10 . 1 1 40 40 GLY H H 54 7.248 7.248 7.871 -0.623 18393 3727 1 10 . 1 1 41 41 TRP N N 55 123.328 123.328 123.054 0.274 18393 3728 1 10 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.690 0.229 18393 3729 1 10 . 1 1 41 41 TRP C C 55 178.873 178.873 177.193 1.680 18393 3730 1 10 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.678 0.439 18393 3731 1 10 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.714 0.060 18393 3732 1 10 . 1 1 41 41 TRP H H 55 8.289 8.289 8.320 -0.031 18393 3733 1 10 . 1 1 42 42 THR N N 56 114.627 114.627 118.576 -3.949 18393 3734 1 10 . 1 1 42 42 THR HA H 56 4.329 4.329 4.255 0.074 18393 3735 1 10 . 1 1 42 42 THR C C 56 175.261 175.261 174.660 0.601 18393 3736 1 10 . 1 1 42 42 THR CA C 56 61.698 61.698 61.591 0.107 18393 3737 1 10 . 1 1 42 42 THR CB C 56 72.359 72.359 69.927 2.432 18393 3738 1 10 . 1 1 42 42 THR H H 56 8.972 8.972 8.564 0.408 18393 3739 1 10 . 1 1 43 43 ASP N N 57 120.151 120.151 121.360 -1.209 18393 3740 1 10 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.429 0.016 18393 3741 1 10 . 1 1 43 43 ASP C C 57 175.710 175.710 176.331 -0.621 18393 3742 1 10 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.999 0.378 18393 3743 1 10 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.063 -0.191 18393 3744 1 10 . 1 1 43 43 ASP H H 57 8.379 8.379 8.414 -0.035 18393 3745 1 10 . 1 1 44 44 GLU N N 58 122.449 122.449 124.207 -1.758 18393 3746 1 10 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.550 -0.085 18393 3747 1 10 . 1 1 44 44 GLU C C 58 176.412 176.412 176.770 -0.358 18393 3748 1 10 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.726 -1.255 18393 3749 1 10 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.993 1.065 18393 3750 1 10 . 1 1 44 44 GLU H H 58 8.581 8.581 8.596 -0.015 18393 3751 1 10 . 1 1 45 45 CYS N N 59 126.725 126.725 128.008 -1.283 18393 3752 1 10 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.501 0.194 18393 3753 1 10 . 1 1 45 45 CYS C C 59 173.364 173.364 174.218 -0.854 18393 3754 1 10 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.617 1.303 18393 3755 1 10 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.070 3.615 18393 3756 1 10 . 1 1 45 45 CYS H H 59 8.671 8.671 8.879 -0.208 18393 3757 1 10 . 1 1 46 46 ILE N N 60 126.614 126.614 126.854 -0.240 18393 3758 1 10 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.116 0.577 18393 3759 1 10 . 1 1 46 46 ILE C C 60 176.175 176.175 176.992 -0.817 18393 3760 1 10 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.424 -0.648 18393 3761 1 10 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.954 0.392 18393 3762 1 10 . 1 1 46 46 ILE H H 60 8.735 8.735 8.068 0.667 18393 3763 1 10 . 1 1 47 47 GLY N N 61 112.366 112.366 117.269 -4.903 18393 3764 1 10 . 1 1 47 47 GLY C C 61 171.844 171.844 173.341 -1.497 18393 3765 1 10 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.115 0.168 18393 3766 1 10 . 1 1 47 47 GLY H H 61 8.610 8.610 8.775 -0.165 18393 3767 1 10 . 1 1 48 48 GLU N N 62 115.030 115.030 120.060 -5.030 18393 3768 1 10 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.653 -0.108 18393 3769 1 10 . 1 1 48 48 GLU C C 62 174.927 174.927 174.551 0.376 18393 3770 1 10 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.939 -0.057 18393 3771 1 10 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.100 0.249 18393 3772 1 10 . 1 1 48 48 GLU H H 62 8.214 8.214 8.121 0.093 18393 3773 1 10 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.464 0.400 18393 3774 1 10 . 1 1 49 49 PRO C C 63 178.286 178.286 176.359 1.927 18393 3775 1 10 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.256 -0.996 18393 3776 1 10 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.499 -0.232 18393 3777 1 10 . 1 1 50 50 MET N N 64 123.505 123.505 125.120 -1.615 18393 3778 1 10 . 1 1 50 50 MET HA H 64 5.530 5.530 4.920 0.610 18393 3779 1 10 . 1 1 50 50 MET C C 64 176.337 176.337 175.141 1.196 18393 3780 1 10 . 1 1 50 50 MET CA C 64 51.674 51.674 51.630 0.044 18393 3781 1 10 . 1 1 50 50 MET CB C 64 37.597 37.597 33.581 4.016 18393 3782 1 10 . 1 1 50 50 MET H H 64 9.267 9.267 8.880 0.387 18393 3783 1 10 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.306 0.780 18393 3784 1 10 . 1 1 51 51 PRO C C 65 174.862 174.862 175.969 -1.107 18393 3785 1 10 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.538 0.128 18393 3786 1 10 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.649 0.878 18393 3787 1 10 . 1 1 52 52 SER N N 66 109.598 109.598 111.823 -2.225 18393 3788 1 10 . 1 1 52 52 SER HA H 66 4.813 4.813 4.810 0.003 18393 3789 1 10 . 1 1 52 52 SER C C 66 173.368 173.368 175.196 -1.828 18393 3790 1 10 . 1 1 52 52 SER CA C 66 55.463 55.463 55.857 -0.394 18393 3791 1 10 . 1 1 52 52 SER CB C 66 66.775 66.775 65.463 1.312 18393 3792 1 10 . 1 1 52 52 SER H H 66 7.165 7.165 7.270 -0.105 18393 3793 1 10 . 1 1 53 53 VAL N N 67 124.347 124.347 125.487 -1.140 18393 3794 1 10 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.923 -1.093 18393 3795 1 10 . 1 1 53 53 VAL C C 67 177.116 177.116 176.961 0.155 18393 3796 1 10 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.495 1.334 18393 3797 1 10 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.525 -0.201 18393 3798 1 10 . 1 1 53 53 VAL H H 67 8.522 8.522 8.805 -0.283 18393 3799 1 10 . 1 1 54 54 LYS N N 68 118.639 118.639 120.676 -2.037 18393 3800 1 10 . 1 1 54 54 LYS HA H 68 3.469 3.469 3.972 -0.503 18393 3801 1 10 . 1 1 54 54 LYS C C 68 178.286 178.286 178.352 -0.066 18393 3802 1 10 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.833 0.517 18393 3803 1 10 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.303 0.061 18393 3804 1 10 . 1 1 54 54 LYS H H 68 8.098 8.098 7.706 0.392 18393 3805 1 10 . 1 1 55 55 LYS N N 69 115.388 115.388 118.107 -2.719 18393 3806 1 10 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.180 -0.086 18393 3807 1 10 . 1 1 55 55 LYS C C 69 179.694 179.694 178.812 0.882 18393 3808 1 10 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.975 -0.147 18393 3809 1 10 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.301 0.538 18393 3810 1 10 . 1 1 55 55 LYS H H 69 7.499 7.499 7.899 -0.401 18393 3811 1 10 . 1 1 56 56 ALA N N 70 124.226 124.226 123.922 0.304 18393 3812 1 10 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.191 -0.042 18393 3813 1 10 . 1 1 56 56 ALA C C 70 181.217 181.217 179.364 1.853 18393 3814 1 10 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.517 0.199 18393 3815 1 10 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.611 1.899 18393 3816 1 10 . 1 1 56 56 ALA H H 70 8.296 8.296 8.131 0.165 18393 3817 1 10 . 1 1 57 57 LYS N N 71 120.522 120.522 117.904 2.618 18393 3818 1 10 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.045 -0.402 18393 3819 1 10 . 1 1 57 57 LYS C C 71 177.937 177.937 178.576 -0.639 18393 3820 1 10 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.519 1.569 18393 3821 1 10 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.635 0.493 18393 3822 1 10 . 1 1 57 57 LYS H H 71 8.385 8.385 7.488 0.897 18393 3823 1 10 . 1 1 58 58 ASP N N 72 119.428 119.428 120.737 -1.309 18393 3824 1 10 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.413 -0.107 18393 3825 1 10 . 1 1 58 58 ASP C C 72 177.042 177.042 178.877 -1.835 18393 3826 1 10 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.550 0.590 18393 3827 1 10 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.686 -0.561 18393 3828 1 10 . 1 1 58 58 ASP H H 72 8.029 8.029 8.171 -0.142 18393 3829 1 10 . 1 1 59 59 SER N N 73 111.435 111.435 115.435 -4.000 18393 3830 1 10 . 1 1 59 59 SER HA H 73 4.243 4.243 4.194 0.049 18393 3831 1 10 . 1 1 59 59 SER C C 73 177.000 177.000 176.636 0.364 18393 3832 1 10 . 1 1 59 59 SER CA C 73 63.579 63.579 61.804 1.775 18393 3833 1 10 . 1 1 59 59 SER CB C 73 60.947 60.947 63.099 -2.152 18393 3834 1 10 . 1 1 59 59 SER H H 73 7.785 7.785 8.394 -0.609 18393 3835 1 10 . 1 1 60 60 ALA N N 74 120.363 120.363 124.665 -4.302 18393 3836 1 10 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.082 -0.119 18393 3837 1 10 . 1 1 60 60 ALA C C 74 178.170 178.170 179.133 -0.963 18393 3838 1 10 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.708 0.790 18393 3839 1 10 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.356 -0.445 18393 3840 1 10 . 1 1 60 60 ALA H H 74 7.472 7.472 7.843 -0.371 18393 3841 1 10 . 1 1 61 61 ALA N N 75 118.116 118.116 121.609 -3.493 18393 3842 1 10 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.121 -0.173 18393 3843 1 10 . 1 1 61 61 ALA C C 75 179.341 179.341 179.577 -0.236 18393 3844 1 10 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.213 0.447 18393 3845 1 10 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.479 0.463 18393 3846 1 10 . 1 1 61 61 ALA H H 75 8.653 8.653 8.438 0.215 18393 3847 1 10 . 1 1 62 62 VAL N N 76 115.858 115.858 117.846 -1.988 18393 3848 1 10 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.733 -0.077 18393 3849 1 10 . 1 1 62 62 VAL C C 76 178.051 178.051 177.870 0.181 18393 3850 1 10 . 1 1 62 62 VAL CA C 76 66.651 66.651 67.148 -0.497 18393 3851 1 10 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.687 0.160 18393 3852 1 10 . 1 1 62 62 VAL H H 76 8.124 8.124 7.573 0.551 18393 3853 1 10 . 1 1 63 63 LEU N N 77 119.881 119.881 118.820 1.061 18393 3854 1 10 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.069 0.120 18393 3855 1 10 . 1 1 63 63 LEU C C 77 179.692 179.692 178.905 0.787 18393 3856 1 10 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.161 0.423 18393 3857 1 10 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.658 0.258 18393 3858 1 10 . 1 1 63 63 LEU H H 77 7.038 7.038 7.398 -0.360 18393 3859 1 10 . 1 1 64 64 LEU N N 78 122.083 122.083 121.771 0.312 18393 3860 1 10 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.109 0.419 18393 3861 1 10 . 1 1 64 64 LEU C C 78 178.601 178.601 178.556 0.045 18393 3862 1 10 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.779 -0.321 18393 3863 1 10 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.089 -0.835 18393 3864 1 10 . 1 1 64 64 LEU H H 78 7.694 7.694 8.072 -0.378 18393 3865 1 10 . 1 1 65 65 LEU N N 79 120.548 120.548 117.843 2.705 18393 3866 1 10 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.110 -0.246 18393 3867 1 10 . 1 1 65 65 LEU C C 79 178.861 178.861 177.986 0.875 18393 3868 1 10 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.648 0.829 18393 3869 1 10 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.074 0.544 18393 3870 1 10 . 1 1 65 65 LEU H H 79 8.671 8.671 8.368 0.303 18393 3871 1 10 . 1 1 66 66 GLU N N 80 117.398 117.398 115.925 1.473 18393 3872 1 10 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.239 -0.180 18393 3873 1 10 . 1 1 66 66 GLU C C 80 178.957 178.957 178.968 -0.011 18393 3874 1 10 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.042 1.294 18393 3875 1 10 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.819 -0.438 18393 3876 1 10 . 1 1 66 66 GLU H H 80 7.613 7.613 7.414 0.199 18393 3877 1 10 . 1 1 67 67 LEU N N 81 120.633 120.633 121.080 -0.447 18393 3878 1 10 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.084 0.076 18393 3879 1 10 . 1 1 67 67 LEU C C 81 180.162 180.162 179.156 1.006 18393 3880 1 10 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.768 0.345 18393 3881 1 10 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.208 -0.151 18393 3882 1 10 . 1 1 67 67 LEU H H 81 7.656 7.656 7.417 0.239 18393 3883 1 10 . 1 1 68 68 LEU N N 82 118.949 118.949 117.330 1.619 18393 3884 1 10 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.283 -0.120 18393 3885 1 10 . 1 1 68 68 LEU C C 82 178.289 178.289 177.885 0.404 18393 3886 1 10 . 1 1 68 68 LEU CA C 82 57.855 57.855 56.834 1.020 18393 3887 1 10 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.038 0.980 18393 3888 1 10 . 1 1 68 68 LEU H H 82 8.583 8.583 8.237 0.346 18393 3889 1 10 . 1 1 69 69 ASN N N 83 116.570 116.570 116.132 0.438 18393 3890 1 10 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.717 0.012 18393 3891 1 10 . 1 1 69 69 ASN C C 83 174.784 174.784 175.492 -0.708 18393 3892 1 10 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.036 -0.297 18393 3893 1 10 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.355 -0.207 18393 3894 1 10 . 1 1 69 69 ASN H H 83 7.920 7.920 7.507 0.413 18393 3895 1 10 . 1 1 70 70 LYS N N 84 120.363 120.363 120.182 0.181 18393 3896 1 10 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.581 -0.177 18393 3897 1 10 . 1 1 70 70 LYS C C 84 175.910 175.910 175.099 0.811 18393 3898 1 10 . 1 1 70 70 LYS CA C 84 56.836 56.836 54.956 1.880 18393 3899 1 10 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.290 0.709 18393 3900 1 10 . 1 1 70 70 LYS H H 84 7.593 7.593 7.661 -0.068 18393 3901 1 11 . 1 1 2 2 ASP N N 16 119.381 119.381 121.168 -1.787 18393 3902 1 11 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.361 -0.021 18393 3903 1 11 . 1 1 2 2 ASP C C 16 178.935 178.935 177.888 1.047 18393 3904 1 11 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.424 0.284 18393 3905 1 11 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.922 -0.241 18393 3906 1 11 . 1 1 2 2 ASP H H 16 8.320 8.320 8.565 -0.245 18393 3907 1 11 . 1 1 3 3 ILE N N 17 121.475 121.475 119.614 1.861 18393 3908 1 11 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.777 -0.231 18393 3909 1 11 . 1 1 3 3 ILE C C 17 177.116 177.116 177.723 -0.607 18393 3910 1 11 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.412 0.821 18393 3911 1 11 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.525 0.176 18393 3912 1 11 . 1 1 3 3 ILE H H 17 7.793 7.793 8.340 -0.547 18393 3913 1 11 . 1 1 4 4 CYS N N 18 117.506 117.506 117.896 -0.390 18393 3914 1 11 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.323 -0.381 18393 3915 1 11 . 1 1 4 4 CYS C C 18 176.671 176.671 176.969 -0.298 18393 3916 1 11 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.989 1.635 18393 3917 1 11 . 1 1 4 4 CYS CB C 18 25.965 25.965 27.074 -1.109 18393 3918 1 11 . 1 1 4 4 CYS H H 18 7.823 7.823 7.807 0.016 18393 3919 1 11 . 1 1 5 5 LEU N N 19 118.832 118.832 122.109 -3.277 18393 3920 1 11 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.056 0.040 18393 3921 1 11 . 1 1 5 5 LEU C C 19 180.698 180.698 179.664 1.034 18393 3922 1 11 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.777 0.160 18393 3923 1 11 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.995 0.071 18393 3924 1 11 . 1 1 5 5 LEU H H 19 8.101 8.101 8.466 -0.365 18393 3925 1 11 . 1 1 6 6 ARG N N 20 119.443 119.443 120.310 -0.867 18393 3926 1 11 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.970 -0.036 18393 3927 1 11 . 1 1 6 6 ARG C C 20 178.169 178.169 177.622 0.547 18393 3928 1 11 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.812 0.063 18393 3929 1 11 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.078 -0.098 18393 3930 1 11 . 1 1 6 6 ARG H H 20 7.934 7.934 8.298 -0.364 18393 3931 1 11 . 1 1 7 7 LYS N N 21 116.636 116.636 116.149 0.487 18393 3932 1 11 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.886 -0.113 18393 3933 1 11 . 1 1 7 7 LYS C C 21 175.224 175.224 175.331 -0.107 18393 3934 1 11 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.327 -0.249 18393 3935 1 11 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.553 -0.036 18393 3936 1 11 . 1 1 7 7 LYS H H 21 7.553 7.553 7.316 0.237 18393 3937 1 11 . 1 1 8 8 ASN N N 22 114.898 114.898 115.705 -0.807 18393 3938 1 11 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.332 -0.030 18393 3939 1 11 . 1 1 8 8 ASN C C 22 174.073 174.073 174.224 -0.151 18393 3940 1 11 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.310 0.122 18393 3941 1 11 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.093 -0.076 18393 3942 1 11 . 1 1 8 8 ASN H H 22 7.640 7.640 7.491 0.149 18393 3943 1 11 . 1 1 9 9 TRP N N 23 120.563 120.563 120.206 0.357 18393 3944 1 11 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.159 0.082 18393 3945 1 11 . 1 1 9 9 TRP C C 23 173.601 173.601 174.764 -1.163 18393 3946 1 11 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.078 -2.258 18393 3947 1 11 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.953 0.621 18393 3948 1 11 . 1 1 9 9 TRP H H 23 8.692 8.692 7.583 1.109 18393 3949 1 11 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.578 -0.119 18393 3950 1 11 . 1 1 10 10 PRO C C 24 175.391 175.391 176.451 -1.060 18393 3951 1 11 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.284 -0.186 18393 3952 1 11 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.495 -0.913 18393 3953 1 11 . 1 1 11 11 MET N N 25 116.562 116.562 119.695 -3.133 18393 3954 1 11 . 1 1 11 11 MET HA H 25 4.751 4.751 4.748 0.003 18393 3955 1 11 . 1 1 11 11 MET C C 25 175.240 175.240 175.465 -0.225 18393 3956 1 11 . 1 1 11 11 MET CA C 25 53.800 53.800 52.013 1.787 18393 3957 1 11 . 1 1 11 11 MET CB C 25 30.695 30.695 30.534 0.161 18393 3958 1 11 . 1 1 11 11 MET H H 25 8.201 8.201 8.423 -0.222 18393 3959 1 11 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.546 -0.222 18393 3960 1 11 . 1 1 12 12 PRO C C 26 174.890 174.890 176.332 -1.442 18393 3961 1 11 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.927 0.554 18393 3962 1 11 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.473 0.252 18393 3963 1 11 . 1 1 13 13 SER N N 27 116.608 116.608 115.287 1.321 18393 3964 1 11 . 1 1 13 13 SER HA H 27 4.781 4.781 4.674 0.107 18393 3965 1 11 . 1 1 13 13 SER C C 27 173.365 173.365 173.690 -0.325 18393 3966 1 11 . 1 1 13 13 SER CA C 27 57.219 57.219 58.564 -1.345 18393 3967 1 11 . 1 1 13 13 SER CB C 27 64.227 64.227 64.146 0.081 18393 3968 1 11 . 1 1 13 13 SER H H 27 8.555 8.555 8.551 0.004 18393 3969 1 11 . 1 1 14 14 TYR N N 28 125.256 125.256 123.004 2.252 18393 3970 1 11 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.071 0.550 18393 3971 1 11 . 1 1 14 14 TYR C C 28 176.175 176.175 174.383 1.792 18393 3972 1 11 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.833 -0.270 18393 3973 1 11 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.854 1.007 18393 3974 1 11 . 1 1 14 14 TYR H H 28 8.939 8.939 8.564 0.375 18393 3975 1 11 . 1 1 15 15 ARG N N 29 120.540 120.540 125.054 -4.514 18393 3976 1 11 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.727 -0.185 18393 3977 1 11 . 1 1 15 15 ARG C C 29 173.134 173.134 174.846 -1.712 18393 3978 1 11 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.270 -0.450 18393 3979 1 11 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.241 0.480 18393 3980 1 11 . 1 1 15 15 ARG H H 29 9.159 9.159 9.030 0.129 18393 3981 1 11 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.559 -1.662 18393 3982 1 11 . 1 1 16 16 CYS C C 30 174.180 174.180 175.995 -1.815 18393 3983 1 11 . 1 1 16 16 CYS CA C 30 58.719 58.719 59.990 -1.271 18393 3984 1 11 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.341 -2.235 18393 3985 1 11 . 1 1 17 17 VAL N N 31 132.259 132.259 121.786 10.473 18393 3986 1 11 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.142 -0.491 18393 3987 1 11 . 1 1 17 17 VAL C C 31 175.711 175.711 175.531 0.180 18393 3988 1 11 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.299 0.787 18393 3989 1 11 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.096 0.416 18393 3990 1 11 . 1 1 17 17 VAL H H 31 8.659 8.659 8.477 0.182 18393 3991 1 11 . 1 1 18 18 LYS N N 32 118.630 118.630 121.451 -2.821 18393 3992 1 11 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.663 -0.303 18393 3993 1 11 . 1 1 18 18 LYS C C 32 173.015 173.015 173.973 -0.958 18393 3994 1 11 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.529 0.873 18393 3995 1 11 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.075 0.929 18393 3996 1 11 . 1 1 18 18 LYS H H 32 7.673 7.673 8.127 -0.454 18393 3997 1 11 . 1 1 19 19 GLU N N 33 125.800 125.800 124.241 1.559 18393 3998 1 11 . 1 1 19 19 GLU HA H 33 4.853 4.853 5.142 -0.289 18393 3999 1 11 . 1 1 19 19 GLU C C 33 175.060 175.060 175.555 -0.495 18393 4000 1 11 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.142 -0.578 18393 4001 1 11 . 1 1 19 19 GLU CB C 33 32.137 32.137 33.307 -1.170 18393 4002 1 11 . 1 1 19 19 GLU H H 33 8.431 8.431 8.515 -0.084 18393 4003 1 11 . 1 1 20 20 GLY N N 34 111.079 111.079 110.861 0.218 18393 4004 1 11 . 1 1 20 20 GLY C C 34 172.318 172.318 173.553 -1.235 18393 4005 1 11 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.342 -0.701 18393 4006 1 11 . 1 1 20 20 GLY H H 34 8.345 8.345 8.788 -0.443 18393 4007 1 11 . 1 1 21 21 GLY N N 35 107.395 107.395 106.591 0.804 18393 4008 1 11 . 1 1 21 21 GLY C C 35 171.757 171.757 172.349 -0.592 18393 4009 1 11 . 1 1 21 21 GLY CA C 35 43.737 43.737 45.014 -1.277 18393 4010 1 11 . 1 1 21 21 GLY H H 35 8.184 8.184 7.853 0.331 18393 4011 1 11 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.494 -0.018 18393 4012 1 11 . 1 1 22 22 PRO C C 36 177.171 177.171 176.248 0.923 18393 4013 1 11 . 1 1 22 22 PRO CA C 36 62.263 62.263 62.114 0.149 18393 4014 1 11 . 1 1 22 22 PRO CB C 36 32.261 32.261 29.409 2.852 18393 4015 1 11 . 1 1 23 23 ALA N N 37 120.595 120.595 122.839 -2.244 18393 4016 1 11 . 1 1 23 23 ALA HA H 37 3.823 3.823 3.842 -0.019 18393 4017 1 11 . 1 1 23 23 ALA C C 37 178.547 178.547 177.237 1.310 18393 4018 1 11 . 1 1 23 23 ALA CA C 37 55.493 55.493 54.507 0.986 18393 4019 1 11 . 1 1 23 23 ALA CB C 37 18.551 18.551 17.220 1.331 18393 4020 1 11 . 1 1 23 23 ALA H H 37 8.580 8.580 8.463 0.117 18393 4021 1 11 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.616 -0.001 18393 4022 1 11 . 1 1 24 24 HIS C C 38 174.890 174.890 174.739 0.151 18393 4023 1 11 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.292 -0.431 18393 4024 1 11 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.518 0.842 18393 4025 1 11 . 1 1 25 25 ALA N N 39 128.271 128.271 122.570 5.701 18393 4026 1 11 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.449 0.025 18393 4027 1 11 . 1 1 25 25 ALA C C 39 174.351 174.351 176.957 -2.606 18393 4028 1 11 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.242 0.074 18393 4029 1 11 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.177 -1.066 18393 4030 1 11 . 1 1 25 25 ALA H H 39 7.697 7.697 7.629 0.068 18393 4031 1 11 . 1 1 26 26 LYS N N 40 121.927 121.927 119.552 2.375 18393 4032 1 11 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.245 -0.127 18393 4033 1 11 . 1 1 26 26 LYS C C 40 177.551 177.551 175.215 2.336 18393 4034 1 11 . 1 1 26 26 LYS CA C 40 56.144 56.144 55.144 1.000 18393 4035 1 11 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.083 0.989 18393 4036 1 11 . 1 1 26 26 LYS H H 40 7.990 7.990 8.234 -0.244 18393 4037 1 11 . 1 1 27 27 ARG N N 41 119.572 119.572 117.639 1.933 18393 4038 1 11 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.323 0.315 18393 4039 1 11 . 1 1 27 27 ARG C C 41 174.770 174.770 175.571 -0.801 18393 4040 1 11 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.189 -1.711 18393 4041 1 11 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.703 2.688 18393 4042 1 11 . 1 1 27 27 ARG H H 41 8.296 8.296 7.289 1.007 18393 4043 1 11 . 1 1 28 28 PHE N N 42 120.381 120.381 123.800 -3.419 18393 4044 1 11 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.388 -0.341 18393 4045 1 11 . 1 1 28 28 PHE C C 42 174.407 174.407 175.699 -1.292 18393 4046 1 11 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.067 1.959 18393 4047 1 11 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.733 2.396 18393 4048 1 11 . 1 1 28 28 PHE H H 42 9.339 9.339 8.944 0.395 18393 4049 1 11 . 1 1 29 29 THR N N 43 117.999 117.999 118.881 -0.882 18393 4050 1 11 . 1 1 29 29 THR HA H 43 4.704 4.704 4.802 -0.098 18393 4051 1 11 . 1 1 29 29 THR C C 43 173.713 173.713 172.595 1.118 18393 4052 1 11 . 1 1 29 29 THR CA C 43 62.117 62.117 61.392 0.725 18393 4053 1 11 . 1 1 29 29 THR CB C 43 70.104 70.104 70.803 -0.699 18393 4054 1 11 . 1 1 29 29 THR H H 43 8.949 8.949 9.361 -0.412 18393 4055 1 11 . 1 1 30 30 PHE N N 44 129.592 129.592 126.501 3.091 18393 4056 1 11 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.997 0.398 18393 4057 1 11 . 1 1 30 30 PHE C C 44 173.221 173.221 172.819 0.402 18393 4058 1 11 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.204 0.219 18393 4059 1 11 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.609 1.308 18393 4060 1 11 . 1 1 30 30 PHE H H 44 10.048 10.048 8.811 1.237 18393 4061 1 11 . 1 1 31 31 GLY N N 45 105.921 105.921 109.290 -3.369 18393 4062 1 11 . 1 1 31 31 GLY C C 45 172.774 172.774 171.536 1.238 18393 4063 1 11 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.417 0.121 18393 4064 1 11 . 1 1 31 31 GLY H H 45 9.290 9.290 7.754 1.536 18393 4065 1 11 . 1 1 32 32 VAL N N 46 121.311 121.311 121.321 -0.010 18393 4066 1 11 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.790 0.560 18393 4067 1 11 . 1 1 32 32 VAL C C 46 171.140 171.140 174.865 -3.725 18393 4068 1 11 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.578 -0.746 18393 4069 1 11 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.323 2.064 18393 4070 1 11 . 1 1 32 32 VAL H H 46 8.906 8.906 7.880 1.026 18393 4071 1 11 . 1 1 33 33 ARG N N 47 122.102 122.102 120.003 2.099 18393 4072 1 11 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.157 -0.586 18393 4073 1 11 . 1 1 33 33 ARG C C 47 173.683 173.683 174.526 -0.843 18393 4074 1 11 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.618 0.340 18393 4075 1 11 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.663 2.053 18393 4076 1 11 . 1 1 33 33 ARG H H 47 8.008 8.008 7.852 0.156 18393 4077 1 11 . 1 1 34 34 VAL N N 48 117.391 117.391 120.669 -3.278 18393 4078 1 11 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.525 0.262 18393 4079 1 11 . 1 1 34 34 VAL C C 48 172.777 172.777 173.968 -1.191 18393 4080 1 11 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.353 -0.383 18393 4081 1 11 . 1 1 34 34 VAL CB C 48 36.312 36.312 35.712 0.600 18393 4082 1 11 . 1 1 34 34 VAL H H 48 8.103 8.103 9.225 -1.122 18393 4083 1 11 . 1 1 35 35 ASN N N 49 127.065 127.065 121.569 5.496 18393 4084 1 11 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.539 -1.003 18393 4085 1 11 . 1 1 35 35 ASN C C 49 174.221 174.221 173.954 0.267 18393 4086 1 11 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.717 -1.109 18393 4087 1 11 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.239 -3.497 18393 4088 1 11 . 1 1 35 35 ASN H H 49 8.543 8.543 8.672 -0.129 18393 4089 1 11 . 1 1 36 36 THR N N 50 114.402 114.402 115.966 -1.564 18393 4090 1 11 . 1 1 36 36 THR HA H 50 2.159 2.159 2.822 -0.663 18393 4091 1 11 . 1 1 36 36 THR C C 50 175.168 175.168 175.713 -0.545 18393 4092 1 11 . 1 1 36 36 THR CA C 50 61.126 61.126 61.273 -0.147 18393 4093 1 11 . 1 1 36 36 THR CB C 50 69.987 69.987 68.980 1.008 18393 4094 1 11 . 1 1 36 36 THR H H 50 6.801 6.801 7.873 -1.072 18393 4095 1 11 . 1 1 37 37 SER N N 51 114.587 114.587 120.127 -5.540 18393 4096 1 11 . 1 1 37 37 SER HA H 51 4.105 4.105 4.056 0.049 18393 4097 1 11 . 1 1 37 37 SER C C 51 174.760 174.760 174.625 0.135 18393 4098 1 11 . 1 1 37 37 SER CA C 51 59.958 59.958 61.391 -1.433 18393 4099 1 11 . 1 1 37 37 SER CB C 51 63.115 63.115 63.163 -0.048 18393 4100 1 11 . 1 1 37 37 SER H H 51 6.797 6.797 8.557 -1.760 18393 4101 1 11 . 1 1 38 38 ASP N N 52 117.329 117.329 116.361 0.968 18393 4102 1 11 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.695 -0.106 18393 4103 1 11 . 1 1 38 38 ASP C C 52 177.236 177.236 176.135 1.101 18393 4104 1 11 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.450 0.100 18393 4105 1 11 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.809 -0.203 18393 4106 1 11 . 1 1 38 38 ASP H H 52 8.784 8.784 8.307 0.477 18393 4107 1 11 . 1 1 39 39 ARG N N 53 118.330 118.330 118.576 -0.246 18393 4108 1 11 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.582 -0.086 18393 4109 1 11 . 1 1 39 39 ARG C C 53 176.062 176.062 176.527 -0.465 18393 4110 1 11 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.506 -1.456 18393 4111 1 11 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.411 -1.970 18393 4112 1 11 . 1 1 39 39 ARG H H 53 7.666 7.666 7.996 -0.330 18393 4113 1 11 . 1 1 40 40 GLY N N 54 110.510 110.510 106.717 3.793 18393 4114 1 11 . 1 1 40 40 GLY C C 54 177.680 177.680 172.733 4.947 18393 4115 1 11 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.301 0.376 18393 4116 1 11 . 1 1 40 40 GLY H H 54 7.248 7.248 7.854 -0.606 18393 4117 1 11 . 1 1 41 41 TRP N N 55 123.328 123.328 123.331 -0.003 18393 4118 1 11 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.831 0.088 18393 4119 1 11 . 1 1 41 41 TRP C C 55 178.873 178.873 177.576 1.297 18393 4120 1 11 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.300 0.817 18393 4121 1 11 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.371 0.403 18393 4122 1 11 . 1 1 41 41 TRP H H 55 8.289 8.289 8.326 -0.037 18393 4123 1 11 . 1 1 42 42 THR N N 56 114.627 114.627 117.753 -3.126 18393 4124 1 11 . 1 1 42 42 THR HA H 56 4.329 4.329 4.374 -0.045 18393 4125 1 11 . 1 1 42 42 THR C C 56 175.261 175.261 174.860 0.401 18393 4126 1 11 . 1 1 42 42 THR CA C 56 61.698 61.698 61.280 0.418 18393 4127 1 11 . 1 1 42 42 THR CB C 56 72.359 72.359 69.944 2.415 18393 4128 1 11 . 1 1 42 42 THR H H 56 8.972 8.972 8.562 0.410 18393 4129 1 11 . 1 1 43 43 ASP N N 57 120.151 120.151 120.503 -0.352 18393 4130 1 11 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.411 0.034 18393 4131 1 11 . 1 1 43 43 ASP C C 57 175.710 175.710 176.503 -0.793 18393 4132 1 11 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.122 1.255 18393 4133 1 11 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.171 -0.299 18393 4134 1 11 . 1 1 43 43 ASP H H 57 8.379 8.379 8.351 0.028 18393 4135 1 11 . 1 1 44 44 GLU N N 58 122.449 122.449 123.057 -0.608 18393 4136 1 11 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.388 0.077 18393 4137 1 11 . 1 1 44 44 GLU C C 58 176.412 176.412 176.778 -0.366 18393 4138 1 11 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.990 -1.519 18393 4139 1 11 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.933 1.125 18393 4140 1 11 . 1 1 44 44 GLU H H 58 8.581 8.581 8.558 0.023 18393 4141 1 11 . 1 1 45 45 CYS N N 59 126.725 126.725 127.467 -0.742 18393 4142 1 11 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.529 0.166 18393 4143 1 11 . 1 1 45 45 CYS C C 59 173.364 173.364 174.188 -0.824 18393 4144 1 11 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.437 1.483 18393 4145 1 11 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.937 3.747 18393 4146 1 11 . 1 1 45 45 CYS H H 59 8.671 8.671 8.929 -0.258 18393 4147 1 11 . 1 1 46 46 ILE N N 60 126.614 126.614 126.638 -0.024 18393 4148 1 11 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.249 0.444 18393 4149 1 11 . 1 1 46 46 ILE C C 60 176.175 176.175 176.795 -0.620 18393 4150 1 11 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.609 0.167 18393 4151 1 11 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.140 1.206 18393 4152 1 11 . 1 1 46 46 ILE H H 60 8.735 8.735 7.989 0.746 18393 4153 1 11 . 1 1 47 47 GLY N N 61 112.366 112.366 116.885 -4.519 18393 4154 1 11 . 1 1 47 47 GLY C C 61 171.844 171.844 173.611 -1.767 18393 4155 1 11 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.203 0.080 18393 4156 1 11 . 1 1 47 47 GLY H H 61 8.610 8.610 8.689 -0.079 18393 4157 1 11 . 1 1 48 48 GLU N N 62 115.030 115.030 120.282 -5.252 18393 4158 1 11 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.663 -0.118 18393 4159 1 11 . 1 1 48 48 GLU C C 62 174.927 174.927 174.676 0.251 18393 4160 1 11 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.108 -0.226 18393 4161 1 11 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.130 0.219 18393 4162 1 11 . 1 1 48 48 GLU H H 62 8.214 8.214 8.327 -0.113 18393 4163 1 11 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.506 0.358 18393 4164 1 11 . 1 1 49 49 PRO C C 63 178.286 178.286 176.218 2.068 18393 4165 1 11 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.571 -1.311 18393 4166 1 11 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.850 -0.583 18393 4167 1 11 . 1 1 50 50 MET N N 64 123.505 123.505 125.072 -1.567 18393 4168 1 11 . 1 1 50 50 MET HA H 64 5.530 5.530 4.916 0.614 18393 4169 1 11 . 1 1 50 50 MET C C 64 176.337 176.337 175.037 1.300 18393 4170 1 11 . 1 1 50 50 MET CA C 64 51.674 51.674 51.592 0.082 18393 4171 1 11 . 1 1 50 50 MET CB C 64 37.597 37.597 34.262 3.335 18393 4172 1 11 . 1 1 50 50 MET H H 64 9.267 9.267 8.961 0.306 18393 4173 1 11 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.266 0.820 18393 4174 1 11 . 1 1 51 51 PRO C C 65 174.862 174.862 176.164 -1.302 18393 4175 1 11 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.779 0.888 18393 4176 1 11 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.528 0.999 18393 4177 1 11 . 1 1 52 52 SER N N 66 109.598 109.598 112.035 -2.437 18393 4178 1 11 . 1 1 52 52 SER HA H 66 4.813 4.813 4.914 -0.101 18393 4179 1 11 . 1 1 52 52 SER C C 66 173.368 173.368 174.840 -1.472 18393 4180 1 11 . 1 1 52 52 SER CA C 66 55.463 55.463 56.876 -1.413 18393 4181 1 11 . 1 1 52 52 SER CB C 66 66.775 66.775 66.039 0.736 18393 4182 1 11 . 1 1 52 52 SER H H 66 7.165 7.165 7.386 -0.221 18393 4183 1 11 . 1 1 53 53 VAL N N 67 124.347 124.347 124.081 0.266 18393 4184 1 11 . 1 1 53 53 VAL HA H 67 2.830 2.830 4.053 -1.223 18393 4185 1 11 . 1 1 53 53 VAL C C 67 177.116 177.116 176.704 0.412 18393 4186 1 11 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.037 1.792 18393 4187 1 11 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.501 -0.177 18393 4188 1 11 . 1 1 53 53 VAL H H 67 8.522 8.522 8.835 -0.313 18393 4189 1 11 . 1 1 54 54 LYS N N 68 118.639 118.639 119.982 -1.343 18393 4190 1 11 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.123 -0.654 18393 4191 1 11 . 1 1 54 54 LYS C C 68 178.286 178.286 178.683 -0.397 18393 4192 1 11 . 1 1 54 54 LYS CA C 68 60.350 60.350 58.952 1.398 18393 4193 1 11 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.974 0.390 18393 4194 1 11 . 1 1 54 54 LYS H H 68 8.098 8.098 7.612 0.486 18393 4195 1 11 . 1 1 55 55 LYS N N 69 115.388 115.388 118.749 -3.361 18393 4196 1 11 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.368 -0.274 18393 4197 1 11 . 1 1 55 55 LYS C C 69 179.694 179.694 178.360 1.334 18393 4198 1 11 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.227 0.601 18393 4199 1 11 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.022 0.817 18393 4200 1 11 . 1 1 55 55 LYS H H 69 7.499 7.499 7.605 -0.106 18393 4201 1 11 . 1 1 56 56 ALA N N 70 124.226 124.226 124.825 -0.599 18393 4202 1 11 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.185 -0.036 18393 4203 1 11 . 1 1 56 56 ALA C C 70 181.217 181.217 179.466 1.751 18393 4204 1 11 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.320 0.396 18393 4205 1 11 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.521 1.989 18393 4206 1 11 . 1 1 56 56 ALA H H 70 8.296 8.296 7.985 0.311 18393 4207 1 11 . 1 1 57 57 LYS N N 71 120.522 120.522 117.919 2.603 18393 4208 1 11 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.040 -0.398 18393 4209 1 11 . 1 1 57 57 LYS C C 71 177.937 177.937 178.833 -0.896 18393 4210 1 11 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.146 0.941 18393 4211 1 11 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.985 0.143 18393 4212 1 11 . 1 1 57 57 LYS H H 71 8.385 8.385 7.542 0.843 18393 4213 1 11 . 1 1 58 58 ASP N N 72 119.428 119.428 118.838 0.590 18393 4214 1 11 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.403 -0.097 18393 4215 1 11 . 1 1 58 58 ASP C C 72 177.042 177.042 178.657 -1.615 18393 4216 1 11 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.368 0.772 18393 4217 1 11 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.823 -0.698 18393 4218 1 11 . 1 1 58 58 ASP H H 72 8.029 8.029 7.751 0.278 18393 4219 1 11 . 1 1 59 59 SER N N 73 111.435 111.435 115.458 -4.023 18393 4220 1 11 . 1 1 59 59 SER HA H 73 4.243 4.243 4.146 0.097 18393 4221 1 11 . 1 1 59 59 SER C C 73 177.000 177.000 176.501 0.499 18393 4222 1 11 . 1 1 59 59 SER CA C 73 63.579 63.579 61.622 1.957 18393 4223 1 11 . 1 1 59 59 SER CB C 73 60.947 60.947 63.157 -2.210 18393 4224 1 11 . 1 1 59 59 SER H H 73 7.785 7.785 8.120 -0.335 18393 4225 1 11 . 1 1 60 60 ALA N N 74 120.363 120.363 123.246 -2.883 18393 4226 1 11 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.016 -0.053 18393 4227 1 11 . 1 1 60 60 ALA C C 74 178.170 178.170 179.457 -1.287 18393 4228 1 11 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.913 0.585 18393 4229 1 11 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.430 -0.519 18393 4230 1 11 . 1 1 60 60 ALA H H 74 7.472 7.472 7.705 -0.233 18393 4231 1 11 . 1 1 61 61 ALA N N 75 118.116 118.116 121.318 -3.202 18393 4232 1 11 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.105 -0.157 18393 4233 1 11 . 1 1 61 61 ALA C C 75 179.341 179.341 179.636 -0.295 18393 4234 1 11 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.056 0.605 18393 4235 1 11 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.424 0.518 18393 4236 1 11 . 1 1 61 61 ALA H H 75 8.653 8.653 8.420 0.233 18393 4237 1 11 . 1 1 62 62 VAL N N 76 115.858 115.858 117.667 -1.809 18393 4238 1 11 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.659 -0.003 18393 4239 1 11 . 1 1 62 62 VAL C C 76 178.051 178.051 177.764 0.287 18393 4240 1 11 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.263 0.388 18393 4241 1 11 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.771 0.076 18393 4242 1 11 . 1 1 62 62 VAL H H 76 8.124 8.124 7.580 0.544 18393 4243 1 11 . 1 1 63 63 LEU N N 77 119.881 119.881 119.117 0.764 18393 4244 1 11 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.085 0.104 18393 4245 1 11 . 1 1 63 63 LEU C C 77 179.692 179.692 178.806 0.886 18393 4246 1 11 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.954 0.630 18393 4247 1 11 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.588 0.328 18393 4248 1 11 . 1 1 63 63 LEU H H 77 7.038 7.038 7.369 -0.331 18393 4249 1 11 . 1 1 64 64 LEU N N 78 122.083 122.083 121.095 0.988 18393 4250 1 11 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.044 0.484 18393 4251 1 11 . 1 1 64 64 LEU C C 78 178.601 178.601 179.185 -0.584 18393 4252 1 11 . 1 1 64 64 LEU CA C 78 57.458 57.458 58.022 -0.564 18393 4253 1 11 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.842 -0.588 18393 4254 1 11 . 1 1 64 64 LEU H H 78 7.694 7.694 8.020 -0.326 18393 4255 1 11 . 1 1 65 65 LEU N N 79 120.548 120.548 117.836 2.712 18393 4256 1 11 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.023 -0.159 18393 4257 1 11 . 1 1 65 65 LEU C C 79 178.861 178.861 179.201 -0.340 18393 4258 1 11 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.093 0.384 18393 4259 1 11 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.207 0.411 18393 4260 1 11 . 1 1 65 65 LEU H H 79 8.671 8.671 8.030 0.641 18393 4261 1 11 . 1 1 66 66 GLU N N 80 117.398 117.398 118.592 -1.194 18393 4262 1 11 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.058 0.001 18393 4263 1 11 . 1 1 66 66 GLU C C 80 178.957 178.957 178.810 0.147 18393 4264 1 11 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.885 0.451 18393 4265 1 11 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.367 0.014 18393 4266 1 11 . 1 1 66 66 GLU H H 80 7.613 7.613 7.530 0.083 18393 4267 1 11 . 1 1 67 67 LEU N N 81 120.633 120.633 120.664 -0.031 18393 4268 1 11 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.058 0.102 18393 4269 1 11 . 1 1 67 67 LEU C C 81 180.162 180.162 179.419 0.743 18393 4270 1 11 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.955 0.158 18393 4271 1 11 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.191 -0.134 18393 4272 1 11 . 1 1 67 67 LEU H H 81 7.656 7.656 7.561 0.095 18393 4273 1 11 . 1 1 68 68 LEU N N 82 118.949 118.949 119.037 -0.088 18393 4274 1 11 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.219 -0.056 18393 4275 1 11 . 1 1 68 68 LEU C C 82 178.289 178.289 178.436 -0.147 18393 4276 1 11 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.579 0.276 18393 4277 1 11 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.103 0.915 18393 4278 1 11 . 1 1 68 68 LEU H H 82 8.583 8.583 8.697 -0.114 18393 4279 1 11 . 1 1 69 69 ASN N N 83 116.570 116.570 116.247 0.323 18393 4280 1 11 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.720 0.009 18393 4281 1 11 . 1 1 69 69 ASN C C 83 174.784 174.784 175.288 -0.504 18393 4282 1 11 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.922 -0.183 18393 4283 1 11 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.959 0.189 18393 4284 1 11 . 1 1 69 69 ASN H H 83 7.920 7.920 7.658 0.262 18393 4285 1 11 . 1 1 70 70 LYS N N 84 120.363 120.363 119.844 0.519 18393 4286 1 11 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.631 -0.227 18393 4287 1 11 . 1 1 70 70 LYS C C 84 175.910 175.910 175.330 0.580 18393 4288 1 11 . 1 1 70 70 LYS CA C 84 56.836 56.836 54.932 1.904 18393 4289 1 11 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.606 0.393 18393 4290 1 11 . 1 1 70 70 LYS H H 84 7.593 7.593 7.707 -0.114 18393 4291 1 12 . 1 1 2 2 ASP N N 16 119.381 119.381 121.578 -2.197 18393 4292 1 12 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.422 -0.082 18393 4293 1 12 . 1 1 2 2 ASP C C 16 178.935 178.935 178.114 0.821 18393 4294 1 12 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.862 -0.154 18393 4295 1 12 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.708 -0.027 18393 4296 1 12 . 1 1 2 2 ASP H H 16 8.320 8.320 8.621 -0.301 18393 4297 1 12 . 1 1 3 3 ILE N N 17 121.475 121.475 121.071 0.404 18393 4298 1 12 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.862 -0.316 18393 4299 1 12 . 1 1 3 3 ILE C C 17 177.116 177.116 178.127 -1.011 18393 4300 1 12 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.223 1.010 18393 4301 1 12 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.115 0.586 18393 4302 1 12 . 1 1 3 3 ILE H H 17 7.793 7.793 8.088 -0.295 18393 4303 1 12 . 1 1 4 4 CYS N N 18 117.506 117.506 118.051 -0.545 18393 4304 1 12 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.331 -0.389 18393 4305 1 12 . 1 1 4 4 CYS C C 18 176.671 176.671 177.220 -0.549 18393 4306 1 12 . 1 1 4 4 CYS CA C 18 64.624 64.624 63.375 1.249 18393 4307 1 12 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.627 -0.662 18393 4308 1 12 . 1 1 4 4 CYS H H 18 7.823 7.823 8.188 -0.365 18393 4309 1 12 . 1 1 5 5 LEU N N 19 118.832 118.832 122.755 -3.923 18393 4310 1 12 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.120 -0.024 18393 4311 1 12 . 1 1 5 5 LEU C C 19 180.698 180.698 179.522 1.176 18393 4312 1 12 . 1 1 5 5 LEU CA C 19 57.937 57.937 58.016 -0.079 18393 4313 1 12 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.893 0.173 18393 4314 1 12 . 1 1 5 5 LEU H H 19 8.101 8.101 8.460 -0.359 18393 4315 1 12 . 1 1 6 6 ARG N N 20 119.443 119.443 120.208 -0.765 18393 4316 1 12 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.942 -0.008 18393 4317 1 12 . 1 1 6 6 ARG C C 20 178.169 178.169 177.881 0.288 18393 4318 1 12 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.860 0.015 18393 4319 1 12 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.141 -0.161 18393 4320 1 12 . 1 1 6 6 ARG H H 20 7.934 7.934 8.407 -0.473 18393 4321 1 12 . 1 1 7 7 LYS N N 21 116.636 116.636 115.839 0.797 18393 4322 1 12 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.887 -0.114 18393 4323 1 12 . 1 1 7 7 LYS C C 21 175.224 175.224 175.622 -0.398 18393 4324 1 12 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.263 -0.185 18393 4325 1 12 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.859 -0.342 18393 4326 1 12 . 1 1 7 7 LYS H H 21 7.553 7.553 7.522 0.031 18393 4327 1 12 . 1 1 8 8 ASN N N 22 114.898 114.898 114.579 0.319 18393 4328 1 12 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.445 -0.143 18393 4329 1 12 . 1 1 8 8 ASN C C 22 174.073 174.073 174.673 -0.600 18393 4330 1 12 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.298 0.135 18393 4331 1 12 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.547 -0.530 18393 4332 1 12 . 1 1 8 8 ASN H H 22 7.640 7.640 7.602 0.038 18393 4333 1 12 . 1 1 9 9 TRP N N 23 120.563 120.563 119.400 1.163 18393 4334 1 12 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.042 0.199 18393 4335 1 12 . 1 1 9 9 TRP C C 23 173.601 173.601 174.683 -1.082 18393 4336 1 12 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.385 -2.565 18393 4337 1 12 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.623 0.951 18393 4338 1 12 . 1 1 9 9 TRP H H 23 8.692 8.692 8.199 0.493 18393 4339 1 12 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.497 -0.038 18393 4340 1 12 . 1 1 10 10 PRO C C 24 175.391 175.391 176.442 -1.051 18393 4341 1 12 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.223 -0.125 18393 4342 1 12 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.416 -0.834 18393 4343 1 12 . 1 1 11 11 MET N N 25 116.562 116.562 118.528 -1.966 18393 4344 1 12 . 1 1 11 11 MET HA H 25 4.751 4.751 4.742 0.009 18393 4345 1 12 . 1 1 11 11 MET C C 25 175.240 175.240 175.121 0.119 18393 4346 1 12 . 1 1 11 11 MET CA C 25 53.800 53.800 52.508 1.292 18393 4347 1 12 . 1 1 11 11 MET CB C 25 30.695 30.695 30.928 -0.233 18393 4348 1 12 . 1 1 11 11 MET H H 25 8.201 8.201 8.389 -0.188 18393 4349 1 12 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.730 -0.406 18393 4350 1 12 . 1 1 12 12 PRO C C 26 174.890 174.890 176.202 -1.312 18393 4351 1 12 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.756 0.725 18393 4352 1 12 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.617 0.108 18393 4353 1 12 . 1 1 13 13 SER N N 27 116.608 116.608 115.683 0.925 18393 4354 1 12 . 1 1 13 13 SER HA H 27 4.781 4.781 4.674 0.107 18393 4355 1 12 . 1 1 13 13 SER C C 27 173.365 173.365 173.677 -0.312 18393 4356 1 12 . 1 1 13 13 SER CA C 27 57.219 57.219 58.368 -1.149 18393 4357 1 12 . 1 1 13 13 SER CB C 27 64.227 64.227 64.024 0.203 18393 4358 1 12 . 1 1 13 13 SER H H 27 8.555 8.555 8.511 0.044 18393 4359 1 12 . 1 1 14 14 TYR N N 28 125.256 125.256 123.557 1.699 18393 4360 1 12 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.086 0.535 18393 4361 1 12 . 1 1 14 14 TYR C C 28 176.175 176.175 175.096 1.079 18393 4362 1 12 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.877 -0.313 18393 4363 1 12 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.754 1.107 18393 4364 1 12 . 1 1 14 14 TYR H H 28 8.939 8.939 8.587 0.352 18393 4365 1 12 . 1 1 15 15 ARG N N 29 120.540 120.540 124.838 -4.298 18393 4366 1 12 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.784 -0.242 18393 4367 1 12 . 1 1 15 15 ARG C C 29 173.134 173.134 174.817 -1.683 18393 4368 1 12 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.947 -0.127 18393 4369 1 12 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.260 0.461 18393 4370 1 12 . 1 1 15 15 ARG H H 29 9.159 9.159 8.932 0.227 18393 4371 1 12 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.534 -1.637 18393 4372 1 12 . 1 1 16 16 CYS C C 30 174.180 174.180 175.741 -1.561 18393 4373 1 12 . 1 1 16 16 CYS CA C 30 58.719 58.719 59.649 -0.930 18393 4374 1 12 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.411 -2.305 18393 4375 1 12 . 1 1 17 17 VAL N N 31 132.259 132.259 124.750 7.509 18393 4376 1 12 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.281 -0.630 18393 4377 1 12 . 1 1 17 17 VAL C C 31 175.711 175.711 175.394 0.317 18393 4378 1 12 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.498 0.588 18393 4379 1 12 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.160 0.352 18393 4380 1 12 . 1 1 17 17 VAL H H 31 8.659 8.659 8.582 0.077 18393 4381 1 12 . 1 1 18 18 LYS N N 32 118.630 118.630 121.708 -3.078 18393 4382 1 12 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.626 -0.266 18393 4383 1 12 . 1 1 18 18 LYS C C 32 173.015 173.015 174.064 -1.049 18393 4384 1 12 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.316 1.086 18393 4385 1 12 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.947 1.057 18393 4386 1 12 . 1 1 18 18 LYS H H 32 7.673 7.673 8.191 -0.518 18393 4387 1 12 . 1 1 19 19 GLU N N 33 125.800 125.800 127.075 -1.275 18393 4388 1 12 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.748 0.105 18393 4389 1 12 . 1 1 19 19 GLU C C 33 175.060 175.060 175.533 -0.473 18393 4390 1 12 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.957 -1.393 18393 4391 1 12 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.436 -0.299 18393 4392 1 12 . 1 1 19 19 GLU H H 33 8.431 8.431 8.742 -0.311 18393 4393 1 12 . 1 1 20 20 GLY N N 34 111.079 111.079 113.775 -2.696 18393 4394 1 12 . 1 1 20 20 GLY C C 34 172.318 172.318 172.732 -0.414 18393 4395 1 12 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.097 -0.456 18393 4396 1 12 . 1 1 20 20 GLY H H 34 8.345 8.345 8.260 0.085 18393 4397 1 12 . 1 1 21 21 GLY N N 35 107.395 107.395 107.181 0.214 18393 4398 1 12 . 1 1 21 21 GLY C C 35 171.757 171.757 172.738 -0.981 18393 4399 1 12 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.934 -1.197 18393 4400 1 12 . 1 1 21 21 GLY H H 35 8.184 8.184 7.913 0.271 18393 4401 1 12 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.284 0.192 18393 4402 1 12 . 1 1 22 22 PRO C C 36 177.171 177.171 176.392 0.779 18393 4403 1 12 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.442 -2.179 18393 4404 1 12 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.074 0.187 18393 4405 1 12 . 1 1 23 23 ALA N N 37 120.595 120.595 115.408 5.187 18393 4406 1 12 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.282 -0.459 18393 4407 1 12 . 1 1 23 23 ALA C C 37 178.547 178.547 177.474 1.073 18393 4408 1 12 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.237 3.256 18393 4409 1 12 . 1 1 23 23 ALA CB C 37 18.551 18.551 19.075 -0.524 18393 4410 1 12 . 1 1 23 23 ALA H H 37 8.580 8.580 7.550 1.030 18393 4411 1 12 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.572 0.043 18393 4412 1 12 . 1 1 24 24 HIS C C 38 174.890 174.890 174.307 0.583 18393 4413 1 12 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.370 -0.509 18393 4414 1 12 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.422 0.938 18393 4415 1 12 . 1 1 25 25 ALA N N 39 128.271 128.271 121.986 6.285 18393 4416 1 12 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.496 -0.022 18393 4417 1 12 . 1 1 25 25 ALA C C 39 174.351 174.351 176.903 -2.552 18393 4418 1 12 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.486 -0.170 18393 4419 1 12 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.102 -0.991 18393 4420 1 12 . 1 1 25 25 ALA H H 39 7.697 7.697 7.740 -0.043 18393 4421 1 12 . 1 1 26 26 LYS N N 40 121.927 121.927 119.258 2.669 18393 4422 1 12 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.260 -0.142 18393 4423 1 12 . 1 1 26 26 LYS C C 40 177.551 177.551 174.796 2.755 18393 4424 1 12 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.151 1.993 18393 4425 1 12 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.297 0.774 18393 4426 1 12 . 1 1 26 26 LYS H H 40 7.990 7.990 7.753 0.237 18393 4427 1 12 . 1 1 27 27 ARG N N 41 119.572 119.572 118.316 1.256 18393 4428 1 12 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.122 0.516 18393 4429 1 12 . 1 1 27 27 ARG C C 41 174.770 174.770 175.455 -0.685 18393 4430 1 12 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.027 -1.549 18393 4431 1 12 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.504 2.886 18393 4432 1 12 . 1 1 27 27 ARG H H 41 8.296 8.296 7.298 0.998 18393 4433 1 12 . 1 1 28 28 PHE N N 42 120.381 120.381 123.707 -3.326 18393 4434 1 12 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.348 -0.301 18393 4435 1 12 . 1 1 28 28 PHE C C 42 174.407 174.407 175.780 -1.373 18393 4436 1 12 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.310 1.716 18393 4437 1 12 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.934 2.195 18393 4438 1 12 . 1 1 28 28 PHE H H 42 9.339 9.339 8.837 0.502 18393 4439 1 12 . 1 1 29 29 THR N N 43 117.999 117.999 118.286 -0.287 18393 4440 1 12 . 1 1 29 29 THR HA H 43 4.704 4.704 4.847 -0.143 18393 4441 1 12 . 1 1 29 29 THR C C 43 173.713 173.713 172.884 0.829 18393 4442 1 12 . 1 1 29 29 THR CA C 43 62.117 62.117 61.523 0.594 18393 4443 1 12 . 1 1 29 29 THR CB C 43 70.104 70.104 71.247 -1.143 18393 4444 1 12 . 1 1 29 29 THR H H 43 8.949 8.949 9.241 -0.292 18393 4445 1 12 . 1 1 30 30 PHE N N 44 129.592 129.592 125.932 3.660 18393 4446 1 12 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.076 0.319 18393 4447 1 12 . 1 1 30 30 PHE C C 44 173.221 173.221 172.870 0.351 18393 4448 1 12 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.243 0.180 18393 4449 1 12 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.677 1.240 18393 4450 1 12 . 1 1 30 30 PHE H H 44 10.048 10.048 8.773 1.275 18393 4451 1 12 . 1 1 31 31 GLY N N 45 105.921 105.921 109.049 -3.128 18393 4452 1 12 . 1 1 31 31 GLY C C 45 172.774 172.774 171.939 0.835 18393 4453 1 12 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.319 0.218 18393 4454 1 12 . 1 1 31 31 GLY H H 45 9.290 9.290 7.981 1.309 18393 4455 1 12 . 1 1 32 32 VAL N N 46 121.311 121.311 120.852 0.459 18393 4456 1 12 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.783 0.567 18393 4457 1 12 . 1 1 32 32 VAL C C 46 171.140 171.140 175.040 -3.900 18393 4458 1 12 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.111 -0.279 18393 4459 1 12 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.173 2.214 18393 4460 1 12 . 1 1 32 32 VAL H H 46 8.906 8.906 7.818 1.088 18393 4461 1 12 . 1 1 33 33 ARG N N 47 122.102 122.102 119.699 2.403 18393 4462 1 12 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.058 -0.487 18393 4463 1 12 . 1 1 33 33 ARG C C 47 173.683 173.683 174.409 -0.726 18393 4464 1 12 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.664 0.294 18393 4465 1 12 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.925 1.791 18393 4466 1 12 . 1 1 33 33 ARG H H 47 8.008 8.008 7.869 0.139 18393 4467 1 12 . 1 1 34 34 VAL N N 48 117.391 117.391 120.282 -2.891 18393 4468 1 12 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.490 0.297 18393 4469 1 12 . 1 1 34 34 VAL C C 48 172.777 172.777 173.860 -1.083 18393 4470 1 12 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.183 -0.213 18393 4471 1 12 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.143 0.169 18393 4472 1 12 . 1 1 34 34 VAL H H 48 8.103 8.103 9.160 -1.057 18393 4473 1 12 . 1 1 35 35 ASN N N 49 127.065 127.065 122.178 4.887 18393 4474 1 12 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.219 -0.683 18393 4475 1 12 . 1 1 35 35 ASN C C 49 174.221 174.221 174.184 0.037 18393 4476 1 12 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.557 -0.950 18393 4477 1 12 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.808 -3.066 18393 4478 1 12 . 1 1 35 35 ASN H H 49 8.543 8.543 8.497 0.046 18393 4479 1 12 . 1 1 36 36 THR N N 50 114.402 114.402 117.164 -2.762 18393 4480 1 12 . 1 1 36 36 THR HA H 50 2.159 2.159 2.878 -0.719 18393 4481 1 12 . 1 1 36 36 THR C C 50 175.168 175.168 175.762 -0.594 18393 4482 1 12 . 1 1 36 36 THR CA C 50 61.126 61.126 61.791 -0.665 18393 4483 1 12 . 1 1 36 36 THR CB C 50 69.987 69.987 68.814 1.173 18393 4484 1 12 . 1 1 36 36 THR H H 50 6.801 6.801 7.707 -0.906 18393 4485 1 12 . 1 1 37 37 SER N N 51 114.587 114.587 120.968 -6.381 18393 4486 1 12 . 1 1 37 37 SER HA H 51 4.105 4.105 4.062 0.043 18393 4487 1 12 . 1 1 37 37 SER C C 51 174.760 174.760 174.398 0.362 18393 4488 1 12 . 1 1 37 37 SER CA C 51 59.958 59.958 61.092 -1.134 18393 4489 1 12 . 1 1 37 37 SER CB C 51 63.115 63.115 63.264 -0.149 18393 4490 1 12 . 1 1 37 37 SER H H 51 6.797 6.797 8.529 -1.732 18393 4491 1 12 . 1 1 38 38 ASP N N 52 117.329 117.329 115.952 1.377 18393 4492 1 12 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.716 -0.127 18393 4493 1 12 . 1 1 38 38 ASP C C 52 177.236 177.236 175.968 1.268 18393 4494 1 12 . 1 1 38 38 ASP CA C 52 54.550 54.550 53.908 0.642 18393 4495 1 12 . 1 1 38 38 ASP CB C 52 40.606 40.606 41.178 -0.573 18393 4496 1 12 . 1 1 38 38 ASP H H 52 8.784 8.784 7.896 0.888 18393 4497 1 12 . 1 1 39 39 ARG N N 53 118.330 118.330 119.542 -1.212 18393 4498 1 12 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.546 -0.050 18393 4499 1 12 . 1 1 39 39 ARG C C 53 176.062 176.062 175.653 0.409 18393 4500 1 12 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.554 -1.504 18393 4501 1 12 . 1 1 39 39 ARG CB C 53 31.441 31.441 32.942 -1.501 18393 4502 1 12 . 1 1 39 39 ARG H H 53 7.666 7.666 8.015 -0.349 18393 4503 1 12 . 1 1 40 40 GLY N N 54 110.510 110.510 107.111 3.399 18393 4504 1 12 . 1 1 40 40 GLY C C 54 177.680 177.680 172.253 5.427 18393 4505 1 12 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.272 0.405 18393 4506 1 12 . 1 1 40 40 GLY H H 54 7.248 7.248 7.620 -0.372 18393 4507 1 12 . 1 1 41 41 TRP N N 55 123.328 123.328 123.354 -0.026 18393 4508 1 12 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.712 0.207 18393 4509 1 12 . 1 1 41 41 TRP C C 55 178.873 178.873 177.378 1.495 18393 4510 1 12 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.606 0.511 18393 4511 1 12 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.606 0.168 18393 4512 1 12 . 1 1 41 41 TRP H H 55 8.289 8.289 8.305 -0.016 18393 4513 1 12 . 1 1 42 42 THR N N 56 114.627 114.627 118.955 -4.328 18393 4514 1 12 . 1 1 42 42 THR HA H 56 4.329 4.329 4.315 0.014 18393 4515 1 12 . 1 1 42 42 THR C C 56 175.261 175.261 174.720 0.541 18393 4516 1 12 . 1 1 42 42 THR CA C 56 61.698 61.698 61.444 0.254 18393 4517 1 12 . 1 1 42 42 THR CB C 56 72.359 72.359 69.712 2.647 18393 4518 1 12 . 1 1 42 42 THR H H 56 8.972 8.972 8.549 0.423 18393 4519 1 12 . 1 1 43 43 ASP N N 57 120.151 120.151 121.249 -1.098 18393 4520 1 12 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.461 -0.016 18393 4521 1 12 . 1 1 43 43 ASP C C 57 175.710 175.710 176.435 -0.725 18393 4522 1 12 . 1 1 43 43 ASP CA C 57 55.377 55.377 55.163 0.214 18393 4523 1 12 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.250 -0.378 18393 4524 1 12 . 1 1 43 43 ASP H H 57 8.379 8.379 8.362 0.017 18393 4525 1 12 . 1 1 44 44 GLU N N 58 122.449 122.449 123.504 -1.055 18393 4526 1 12 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.560 -0.095 18393 4527 1 12 . 1 1 44 44 GLU C C 58 176.412 176.412 176.779 -0.367 18393 4528 1 12 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.728 -1.257 18393 4529 1 12 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.932 1.126 18393 4530 1 12 . 1 1 44 44 GLU H H 58 8.581 8.581 8.607 -0.026 18393 4531 1 12 . 1 1 45 45 CYS N N 59 126.725 126.725 127.997 -1.272 18393 4532 1 12 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.475 0.220 18393 4533 1 12 . 1 1 45 45 CYS C C 59 173.364 173.364 174.087 -0.723 18393 4534 1 12 . 1 1 45 45 CYS CA C 59 58.920 58.920 58.003 0.917 18393 4535 1 12 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.232 3.452 18393 4536 1 12 . 1 1 45 45 CYS H H 59 8.671 8.671 8.810 -0.139 18393 4537 1 12 . 1 1 46 46 ILE N N 60 126.614 126.614 126.871 -0.257 18393 4538 1 12 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.303 0.390 18393 4539 1 12 . 1 1 46 46 ILE C C 60 176.175 176.175 176.727 -0.552 18393 4540 1 12 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.205 0.571 18393 4541 1 12 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.364 0.982 18393 4542 1 12 . 1 1 46 46 ILE H H 60 8.735 8.735 7.879 0.856 18393 4543 1 12 . 1 1 47 47 GLY N N 61 112.366 112.366 116.620 -4.254 18393 4544 1 12 . 1 1 47 47 GLY C C 61 171.844 171.844 173.649 -1.805 18393 4545 1 12 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.202 0.081 18393 4546 1 12 . 1 1 47 47 GLY H H 61 8.610 8.610 8.777 -0.167 18393 4547 1 12 . 1 1 48 48 GLU N N 62 115.030 115.030 120.018 -4.988 18393 4548 1 12 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.626 -0.081 18393 4549 1 12 . 1 1 48 48 GLU C C 62 174.927 174.927 174.651 0.276 18393 4550 1 12 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.120 -0.238 18393 4551 1 12 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.957 0.392 18393 4552 1 12 . 1 1 48 48 GLU H H 62 8.214 8.214 7.987 0.227 18393 4553 1 12 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.505 0.359 18393 4554 1 12 . 1 1 49 49 PRO C C 63 178.286 178.286 176.196 2.090 18393 4555 1 12 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.494 -1.234 18393 4556 1 12 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.632 -0.365 18393 4557 1 12 . 1 1 50 50 MET N N 64 123.505 123.505 124.610 -1.105 18393 4558 1 12 . 1 1 50 50 MET HA H 64 5.530 5.530 4.903 0.627 18393 4559 1 12 . 1 1 50 50 MET C C 64 176.337 176.337 174.736 1.601 18393 4560 1 12 . 1 1 50 50 MET CA C 64 51.674 51.674 51.511 0.163 18393 4561 1 12 . 1 1 50 50 MET CB C 64 37.597 37.597 33.419 4.178 18393 4562 1 12 . 1 1 50 50 MET H H 64 9.267 9.267 8.990 0.277 18393 4563 1 12 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.372 0.714 18393 4564 1 12 . 1 1 51 51 PRO C C 65 174.862 174.862 175.951 -1.089 18393 4565 1 12 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.216 0.450 18393 4566 1 12 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.459 1.068 18393 4567 1 12 . 1 1 52 52 SER N N 66 109.598 109.598 112.385 -2.787 18393 4568 1 12 . 1 1 52 52 SER HA H 66 4.813 4.813 4.832 -0.019 18393 4569 1 12 . 1 1 52 52 SER C C 66 173.368 173.368 174.664 -1.296 18393 4570 1 12 . 1 1 52 52 SER CA C 66 55.463 55.463 56.801 -1.338 18393 4571 1 12 . 1 1 52 52 SER CB C 66 66.775 66.775 65.550 1.225 18393 4572 1 12 . 1 1 52 52 SER H H 66 7.165 7.165 7.244 -0.079 18393 4573 1 12 . 1 1 53 53 VAL N N 67 124.347 124.347 123.626 0.721 18393 4574 1 12 . 1 1 53 53 VAL HA H 67 2.830 2.830 4.022 -1.192 18393 4575 1 12 . 1 1 53 53 VAL C C 67 177.116 177.116 176.619 0.497 18393 4576 1 12 . 1 1 53 53 VAL CA C 67 66.829 66.829 64.066 2.764 18393 4577 1 12 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.736 -0.412 18393 4578 1 12 . 1 1 53 53 VAL H H 67 8.522 8.522 8.803 -0.281 18393 4579 1 12 . 1 1 54 54 LYS N N 68 118.639 118.639 120.322 -1.683 18393 4580 1 12 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.027 -0.558 18393 4581 1 12 . 1 1 54 54 LYS C C 68 178.286 178.286 178.282 0.004 18393 4582 1 12 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.777 0.573 18393 4583 1 12 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.294 0.070 18393 4584 1 12 . 1 1 54 54 LYS H H 68 8.098 8.098 7.631 0.467 18393 4585 1 12 . 1 1 55 55 LYS N N 69 115.388 115.388 117.619 -2.231 18393 4586 1 12 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.673 -0.579 18393 4587 1 12 . 1 1 55 55 LYS C C 69 179.694 179.694 178.429 1.265 18393 4588 1 12 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.089 0.739 18393 4589 1 12 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.216 0.623 18393 4590 1 12 . 1 1 55 55 LYS H H 69 7.499 7.499 7.926 -0.427 18393 4591 1 12 . 1 1 56 56 ALA N N 70 124.226 124.226 124.565 -0.339 18393 4592 1 12 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.165 -0.016 18393 4593 1 12 . 1 1 56 56 ALA C C 70 181.217 181.217 179.347 1.870 18393 4594 1 12 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.377 0.340 18393 4595 1 12 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.500 2.010 18393 4596 1 12 . 1 1 56 56 ALA H H 70 8.296 8.296 7.891 0.405 18393 4597 1 12 . 1 1 57 57 LYS N N 71 120.522 120.522 118.070 2.452 18393 4598 1 12 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.082 -0.439 18393 4599 1 12 . 1 1 57 57 LYS C C 71 177.937 177.937 178.993 -1.056 18393 4600 1 12 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.142 0.945 18393 4601 1 12 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.899 0.229 18393 4602 1 12 . 1 1 57 57 LYS H H 71 8.385 8.385 7.502 0.883 18393 4603 1 12 . 1 1 58 58 ASP N N 72 119.428 119.428 120.036 -0.608 18393 4604 1 12 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.440 -0.134 18393 4605 1 12 . 1 1 58 58 ASP C C 72 177.042 177.042 178.863 -1.821 18393 4606 1 12 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.517 0.623 18393 4607 1 12 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.489 -0.364 18393 4608 1 12 . 1 1 58 58 ASP H H 72 8.029 8.029 7.680 0.349 18393 4609 1 12 . 1 1 59 59 SER N N 73 111.435 111.435 115.717 -4.282 18393 4610 1 12 . 1 1 59 59 SER HA H 73 4.243 4.243 4.138 0.105 18393 4611 1 12 . 1 1 59 59 SER C C 73 177.000 177.000 176.303 0.697 18393 4612 1 12 . 1 1 59 59 SER CA C 73 63.579 63.579 61.379 2.200 18393 4613 1 12 . 1 1 59 59 SER CB C 73 60.947 60.947 63.070 -2.123 18393 4614 1 12 . 1 1 59 59 SER H H 73 7.785 7.785 8.196 -0.411 18393 4615 1 12 . 1 1 60 60 ALA N N 74 120.363 120.363 123.516 -3.153 18393 4616 1 12 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.977 -0.014 18393 4617 1 12 . 1 1 60 60 ALA C C 74 178.170 178.170 179.409 -1.239 18393 4618 1 12 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.999 0.499 18393 4619 1 12 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.320 -0.409 18393 4620 1 12 . 1 1 60 60 ALA H H 74 7.472 7.472 7.708 -0.236 18393 4621 1 12 . 1 1 61 61 ALA N N 75 118.116 118.116 121.609 -3.493 18393 4622 1 12 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.060 -0.112 18393 4623 1 12 . 1 1 61 61 ALA C C 75 179.341 179.341 179.510 -0.169 18393 4624 1 12 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.279 0.381 18393 4625 1 12 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.396 0.546 18393 4626 1 12 . 1 1 61 61 ALA H H 75 8.653 8.653 8.384 0.269 18393 4627 1 12 . 1 1 62 62 VAL N N 76 115.858 115.858 117.120 -1.262 18393 4628 1 12 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.774 -0.118 18393 4629 1 12 . 1 1 62 62 VAL C C 76 178.051 178.051 178.001 0.050 18393 4630 1 12 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.285 0.366 18393 4631 1 12 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.068 0.779 18393 4632 1 12 . 1 1 62 62 VAL H H 76 8.124 8.124 7.748 0.376 18393 4633 1 12 . 1 1 63 63 LEU N N 77 119.881 119.881 118.876 1.005 18393 4634 1 12 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.086 0.103 18393 4635 1 12 . 1 1 63 63 LEU C C 77 179.692 179.692 179.210 0.482 18393 4636 1 12 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.192 0.392 18393 4637 1 12 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.576 0.340 18393 4638 1 12 . 1 1 63 63 LEU H H 77 7.038 7.038 7.363 -0.325 18393 4639 1 12 . 1 1 64 64 LEU N N 78 122.083 122.083 121.939 0.144 18393 4640 1 12 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.148 0.380 18393 4641 1 12 . 1 1 64 64 LEU C C 78 178.601 178.601 178.622 -0.021 18393 4642 1 12 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.674 -0.216 18393 4643 1 12 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.870 -0.616 18393 4644 1 12 . 1 1 64 64 LEU H H 78 7.694 7.694 8.027 -0.333 18393 4645 1 12 . 1 1 65 65 LEU N N 79 120.548 120.548 118.443 2.105 18393 4646 1 12 . 1 1 65 65 LEU HA H 79 3.864 3.864 3.973 -0.109 18393 4647 1 12 . 1 1 65 65 LEU C C 79 178.861 178.861 178.843 0.018 18393 4648 1 12 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.339 0.138 18393 4649 1 12 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.365 0.253 18393 4650 1 12 . 1 1 65 65 LEU H H 79 8.671 8.671 8.602 0.069 18393 4651 1 12 . 1 1 66 66 GLU N N 80 117.398 117.398 117.807 -0.409 18393 4652 1 12 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.074 -0.015 18393 4653 1 12 . 1 1 66 66 GLU C C 80 178.957 178.957 178.486 0.471 18393 4654 1 12 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.764 0.572 18393 4655 1 12 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.431 -0.050 18393 4656 1 12 . 1 1 66 66 GLU H H 80 7.613 7.613 7.546 0.067 18393 4657 1 12 . 1 1 67 67 LEU N N 81 120.633 120.633 120.230 0.403 18393 4658 1 12 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.070 0.090 18393 4659 1 12 . 1 1 67 67 LEU C C 81 180.162 180.162 179.257 0.905 18393 4660 1 12 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.848 0.265 18393 4661 1 12 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.291 -0.234 18393 4662 1 12 . 1 1 67 67 LEU H H 81 7.656 7.656 7.399 0.257 18393 4663 1 12 . 1 1 68 68 LEU N N 82 118.949 118.949 118.654 0.295 18393 4664 1 12 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.223 -0.060 18393 4665 1 12 . 1 1 68 68 LEU C C 82 178.289 178.289 178.437 -0.148 18393 4666 1 12 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.228 0.627 18393 4667 1 12 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.349 0.669 18393 4668 1 12 . 1 1 68 68 LEU H H 82 8.583 8.583 8.306 0.277 18393 4669 1 12 . 1 1 69 69 ASN N N 83 116.570 116.570 115.977 0.593 18393 4670 1 12 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.724 0.005 18393 4671 1 12 . 1 1 69 69 ASN C C 83 174.784 174.784 175.479 -0.695 18393 4672 1 12 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.327 -0.588 18393 4673 1 12 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.102 0.046 18393 4674 1 12 . 1 1 69 69 ASN H H 83 7.920 7.920 7.508 0.412 18393 4675 1 12 . 1 1 70 70 LYS N N 84 120.363 120.363 119.112 1.251 18393 4676 1 12 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.643 -0.239 18393 4677 1 12 . 1 1 70 70 LYS C C 84 175.910 175.910 175.224 0.686 18393 4678 1 12 . 1 1 70 70 LYS CA C 84 56.836 56.836 54.736 2.100 18393 4679 1 12 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.583 0.416 18393 4680 1 12 . 1 1 70 70 LYS H H 84 7.593 7.593 7.659 -0.066 18393 4681 1 13 . 1 1 2 2 ASP N N 16 119.381 119.381 122.421 -3.040 18393 4682 1 13 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.397 -0.057 18393 4683 1 13 . 1 1 2 2 ASP C C 16 178.935 178.935 177.768 1.167 18393 4684 1 13 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.754 -0.046 18393 4685 1 13 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.730 -0.049 18393 4686 1 13 . 1 1 2 2 ASP H H 16 8.320 8.320 8.814 -0.494 18393 4687 1 13 . 1 1 3 3 ILE N N 17 121.475 121.475 119.758 1.717 18393 4688 1 13 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.771 -0.225 18393 4689 1 13 . 1 1 3 3 ILE C C 17 177.116 177.116 177.700 -0.584 18393 4690 1 13 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.377 0.856 18393 4691 1 13 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.541 0.160 18393 4692 1 13 . 1 1 3 3 ILE H H 17 7.793 7.793 8.194 -0.401 18393 4693 1 13 . 1 1 4 4 CYS N N 18 117.506 117.506 117.977 -0.471 18393 4694 1 13 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.347 -0.405 18393 4695 1 13 . 1 1 4 4 CYS C C 18 176.671 176.671 177.066 -0.395 18393 4696 1 13 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.808 1.816 18393 4697 1 13 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.846 -0.881 18393 4698 1 13 . 1 1 4 4 CYS H H 18 7.823 7.823 7.946 -0.123 18393 4699 1 13 . 1 1 5 5 LEU N N 19 118.832 118.832 122.167 -3.335 18393 4700 1 13 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.178 -0.082 18393 4701 1 13 . 1 1 5 5 LEU C C 19 180.698 180.698 179.256 1.442 18393 4702 1 13 . 1 1 5 5 LEU CA C 19 57.937 57.937 58.000 -0.063 18393 4703 1 13 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.801 0.265 18393 4704 1 13 . 1 1 5 5 LEU H H 19 8.101 8.101 8.478 -0.377 18393 4705 1 13 . 1 1 6 6 ARG N N 20 119.443 119.443 119.309 0.134 18393 4706 1 13 . 1 1 6 6 ARG HA H 20 3.934 3.934 4.018 -0.084 18393 4707 1 13 . 1 1 6 6 ARG C C 20 178.169 178.169 178.044 0.125 18393 4708 1 13 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.075 0.799 18393 4709 1 13 . 1 1 6 6 ARG CB C 20 29.980 29.980 29.819 0.161 18393 4710 1 13 . 1 1 6 6 ARG H H 20 7.934 7.934 7.887 0.047 18393 4711 1 13 . 1 1 7 7 LYS N N 21 116.636 116.636 116.368 0.268 18393 4712 1 13 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.830 -0.057 18393 4713 1 13 . 1 1 7 7 LYS C C 21 175.224 175.224 175.723 -0.499 18393 4714 1 13 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.003 0.075 18393 4715 1 13 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.544 -0.027 18393 4716 1 13 . 1 1 7 7 LYS H H 21 7.553 7.553 7.581 -0.028 18393 4717 1 13 . 1 1 8 8 ASN N N 22 114.898 114.898 114.591 0.307 18393 4718 1 13 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.406 -0.104 18393 4719 1 13 . 1 1 8 8 ASN C C 22 174.073 174.073 174.565 -0.492 18393 4720 1 13 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.233 0.200 18393 4721 1 13 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.635 -0.618 18393 4722 1 13 . 1 1 8 8 ASN H H 22 7.640 7.640 7.674 -0.034 18393 4723 1 13 . 1 1 9 9 TRP N N 23 120.563 120.563 118.773 1.790 18393 4724 1 13 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.151 0.090 18393 4725 1 13 . 1 1 9 9 TRP C C 23 173.601 173.601 174.951 -1.350 18393 4726 1 13 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.125 -2.305 18393 4727 1 13 . 1 1 9 9 TRP CB C 23 29.574 29.574 29.029 0.545 18393 4728 1 13 . 1 1 9 9 TRP H H 23 8.692 8.692 7.719 0.973 18393 4729 1 13 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.449 0.010 18393 4730 1 13 . 1 1 10 10 PRO C C 24 175.391 175.391 176.582 -1.191 18393 4731 1 13 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.480 -0.382 18393 4732 1 13 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.450 -0.868 18393 4733 1 13 . 1 1 11 11 MET N N 25 116.562 116.562 118.791 -2.229 18393 4734 1 13 . 1 1 11 11 MET HA H 25 4.751 4.751 4.660 0.091 18393 4735 1 13 . 1 1 11 11 MET C C 25 175.240 175.240 175.155 0.085 18393 4736 1 13 . 1 1 11 11 MET CA C 25 53.800 53.800 53.309 0.491 18393 4737 1 13 . 1 1 11 11 MET CB C 25 30.695 30.695 30.791 -0.096 18393 4738 1 13 . 1 1 11 11 MET H H 25 8.201 8.201 8.418 -0.217 18393 4739 1 13 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.696 -0.372 18393 4740 1 13 . 1 1 12 12 PRO C C 26 174.890 174.890 176.184 -1.294 18393 4741 1 13 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.933 0.548 18393 4742 1 13 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.637 0.088 18393 4743 1 13 . 1 1 13 13 SER N N 27 116.608 116.608 115.760 0.848 18393 4744 1 13 . 1 1 13 13 SER HA H 27 4.781 4.781 4.778 0.003 18393 4745 1 13 . 1 1 13 13 SER C C 27 173.365 173.365 173.511 -0.146 18393 4746 1 13 . 1 1 13 13 SER CA C 27 57.219 57.219 58.216 -0.997 18393 4747 1 13 . 1 1 13 13 SER CB C 27 64.227 64.227 64.125 0.102 18393 4748 1 13 . 1 1 13 13 SER H H 27 8.555 8.555 8.684 -0.129 18393 4749 1 13 . 1 1 14 14 TYR N N 28 125.256 125.256 123.652 1.604 18393 4750 1 13 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.070 0.551 18393 4751 1 13 . 1 1 14 14 TYR C C 28 176.175 176.175 174.613 1.562 18393 4752 1 13 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.828 -0.265 18393 4753 1 13 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.798 1.063 18393 4754 1 13 . 1 1 14 14 TYR H H 28 8.939 8.939 8.690 0.249 18393 4755 1 13 . 1 1 15 15 ARG N N 29 120.540 120.540 126.023 -5.483 18393 4756 1 13 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.761 -0.219 18393 4757 1 13 . 1 1 15 15 ARG C C 29 173.134 173.134 175.147 -2.013 18393 4758 1 13 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.760 0.060 18393 4759 1 13 . 1 1 15 15 ARG CB C 29 34.721 34.721 33.789 0.932 18393 4760 1 13 . 1 1 15 15 ARG H H 29 9.159 9.159 8.949 0.210 18393 4761 1 13 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.499 -1.602 18393 4762 1 13 . 1 1 16 16 CYS C C 30 174.180 174.180 175.253 -1.073 18393 4763 1 13 . 1 1 16 16 CYS CA C 30 58.719 58.719 61.036 -2.317 18393 4764 1 13 . 1 1 16 16 CYS CB C 30 26.106 26.106 27.536 -1.430 18393 4765 1 13 . 1 1 17 17 VAL N N 31 132.259 132.259 126.210 6.049 18393 4766 1 13 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.043 -0.392 18393 4767 1 13 . 1 1 17 17 VAL C C 31 175.711 175.711 175.598 0.113 18393 4768 1 13 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.392 -0.306 18393 4769 1 13 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.452 0.060 18393 4770 1 13 . 1 1 17 17 VAL H H 31 8.659 8.659 8.588 0.071 18393 4771 1 13 . 1 1 18 18 LYS N N 32 118.630 118.630 119.798 -1.168 18393 4772 1 13 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.538 -0.178 18393 4773 1 13 . 1 1 18 18 LYS C C 32 173.015 173.015 174.142 -1.127 18393 4774 1 13 . 1 1 18 18 LYS CA C 32 56.402 56.402 54.950 1.452 18393 4775 1 13 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.168 0.836 18393 4776 1 13 . 1 1 18 18 LYS H H 32 7.673 7.673 8.195 -0.522 18393 4777 1 13 . 1 1 19 19 GLU N N 33 125.800 125.800 125.467 0.333 18393 4778 1 13 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.200 0.653 18393 4779 1 13 . 1 1 19 19 GLU C C 33 175.060 175.060 175.578 -0.518 18393 4780 1 13 . 1 1 19 19 GLU CA C 33 54.564 54.564 54.804 -0.240 18393 4781 1 13 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.441 -0.304 18393 4782 1 13 . 1 1 19 19 GLU H H 33 8.431 8.431 8.663 -0.232 18393 4783 1 13 . 1 1 20 20 GLY N N 34 111.079 111.079 109.267 1.812 18393 4784 1 13 . 1 1 20 20 GLY C C 34 172.318 172.318 173.548 -1.230 18393 4785 1 13 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.256 -0.615 18393 4786 1 13 . 1 1 20 20 GLY H H 34 8.345 8.345 7.961 0.384 18393 4787 1 13 . 1 1 21 21 GLY N N 35 107.395 107.395 108.531 -1.136 18393 4788 1 13 . 1 1 21 21 GLY C C 35 171.757 171.757 172.141 -0.384 18393 4789 1 13 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.544 -0.807 18393 4790 1 13 . 1 1 21 21 GLY H H 35 8.184 8.184 7.886 0.298 18393 4791 1 13 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.507 -0.031 18393 4792 1 13 . 1 1 22 22 PRO C C 36 177.171 177.171 176.075 1.096 18393 4793 1 13 . 1 1 22 22 PRO CA C 36 62.263 62.263 62.148 0.115 18393 4794 1 13 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.090 0.171 18393 4795 1 13 . 1 1 23 23 ALA N N 37 120.595 120.595 119.308 1.287 18393 4796 1 13 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.087 -0.264 18393 4797 1 13 . 1 1 23 23 ALA C C 37 178.547 178.547 178.399 0.148 18393 4798 1 13 . 1 1 23 23 ALA CA C 37 55.493 55.493 54.009 1.484 18393 4799 1 13 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.600 -0.049 18393 4800 1 13 . 1 1 23 23 ALA H H 37 8.580 8.580 8.092 0.488 18393 4801 1 13 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.421 0.194 18393 4802 1 13 . 1 1 24 24 HIS C C 38 174.890 174.890 174.613 0.277 18393 4803 1 13 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.808 -0.947 18393 4804 1 13 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.954 0.406 18393 4805 1 13 . 1 1 25 25 ALA N N 39 128.271 128.271 123.062 5.209 18393 4806 1 13 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.460 0.014 18393 4807 1 13 . 1 1 25 25 ALA C C 39 174.351 174.351 176.319 -1.968 18393 4808 1 13 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.307 0.009 18393 4809 1 13 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.022 -0.911 18393 4810 1 13 . 1 1 25 25 ALA H H 39 7.697 7.697 7.574 0.123 18393 4811 1 13 . 1 1 26 26 LYS N N 40 121.927 121.927 122.953 -1.026 18393 4812 1 13 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.322 -0.204 18393 4813 1 13 . 1 1 26 26 LYS C C 40 177.551 177.551 175.249 2.302 18393 4814 1 13 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.982 1.162 18393 4815 1 13 . 1 1 26 26 LYS CB C 40 33.072 33.072 33.726 -0.654 18393 4816 1 13 . 1 1 26 26 LYS H H 40 7.990 7.990 8.488 -0.498 18393 4817 1 13 . 1 1 27 27 ARG N N 41 119.572 119.572 117.666 1.906 18393 4818 1 13 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.686 -0.048 18393 4819 1 13 . 1 1 27 27 ARG C C 41 174.770 174.770 175.378 -0.608 18393 4820 1 13 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.514 -2.035 18393 4821 1 13 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.474 2.916 18393 4822 1 13 . 1 1 27 27 ARG H H 41 8.296 8.296 7.469 0.827 18393 4823 1 13 . 1 1 28 28 PHE N N 42 120.381 120.381 123.068 -2.687 18393 4824 1 13 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.322 -0.275 18393 4825 1 13 . 1 1 28 28 PHE C C 42 174.407 174.407 175.712 -1.305 18393 4826 1 13 . 1 1 28 28 PHE CA C 42 57.026 57.026 56.510 0.516 18393 4827 1 13 . 1 1 28 28 PHE CB C 42 43.129 43.129 41.430 1.699 18393 4828 1 13 . 1 1 28 28 PHE H H 42 9.339 9.339 9.358 -0.019 18393 4829 1 13 . 1 1 29 29 THR N N 43 117.999 117.999 119.663 -1.664 18393 4830 1 13 . 1 1 29 29 THR HA H 43 4.704 4.704 4.802 -0.098 18393 4831 1 13 . 1 1 29 29 THR C C 43 173.713 173.713 172.897 0.816 18393 4832 1 13 . 1 1 29 29 THR CA C 43 62.117 62.117 61.828 0.289 18393 4833 1 13 . 1 1 29 29 THR CB C 43 70.104 70.104 71.047 -0.943 18393 4834 1 13 . 1 1 29 29 THR H H 43 8.949 8.949 9.018 -0.069 18393 4835 1 13 . 1 1 30 30 PHE N N 44 129.592 129.592 126.837 2.755 18393 4836 1 13 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.023 0.372 18393 4837 1 13 . 1 1 30 30 PHE C C 44 173.221 173.221 172.838 0.383 18393 4838 1 13 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.050 0.373 18393 4839 1 13 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.758 1.159 18393 4840 1 13 . 1 1 30 30 PHE H H 44 10.048 10.048 8.766 1.282 18393 4841 1 13 . 1 1 31 31 GLY N N 45 105.921 105.921 108.937 -3.016 18393 4842 1 13 . 1 1 31 31 GLY C C 45 172.774 172.774 171.987 0.787 18393 4843 1 13 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.421 0.117 18393 4844 1 13 . 1 1 31 31 GLY H H 45 9.290 9.290 7.929 1.361 18393 4845 1 13 . 1 1 32 32 VAL N N 46 121.311 121.311 121.075 0.236 18393 4846 1 13 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.786 0.564 18393 4847 1 13 . 1 1 32 32 VAL C C 46 171.140 171.140 174.843 -3.703 18393 4848 1 13 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.106 -0.274 18393 4849 1 13 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.232 2.155 18393 4850 1 13 . 1 1 32 32 VAL H H 46 8.906 8.906 8.086 0.820 18393 4851 1 13 . 1 1 33 33 ARG N N 47 122.102 122.102 119.330 2.772 18393 4852 1 13 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.099 -0.528 18393 4853 1 13 . 1 1 33 33 ARG C C 47 173.683 173.683 174.392 -0.709 18393 4854 1 13 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.686 0.272 18393 4855 1 13 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.865 1.851 18393 4856 1 13 . 1 1 33 33 ARG H H 47 8.008 8.008 7.930 0.078 18393 4857 1 13 . 1 1 34 34 VAL N N 48 117.391 117.391 120.392 -3.001 18393 4858 1 13 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.600 0.187 18393 4859 1 13 . 1 1 34 34 VAL C C 48 172.777 172.777 173.916 -1.139 18393 4860 1 13 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.236 -0.266 18393 4861 1 13 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.139 0.173 18393 4862 1 13 . 1 1 34 34 VAL H H 48 8.103 8.103 9.220 -1.117 18393 4863 1 13 . 1 1 35 35 ASN N N 49 127.065 127.065 121.119 5.946 18393 4864 1 13 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.495 -0.959 18393 4865 1 13 . 1 1 35 35 ASN C C 49 174.221 174.221 174.180 0.041 18393 4866 1 13 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.763 -1.156 18393 4867 1 13 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.045 -3.303 18393 4868 1 13 . 1 1 35 35 ASN H H 49 8.543 8.543 8.719 -0.176 18393 4869 1 13 . 1 1 36 36 THR N N 50 114.402 114.402 117.581 -3.179 18393 4870 1 13 . 1 1 36 36 THR HA H 50 2.159 2.159 2.985 -0.826 18393 4871 1 13 . 1 1 36 36 THR C C 50 175.168 175.168 175.058 0.110 18393 4872 1 13 . 1 1 36 36 THR CA C 50 61.126 61.126 60.919 0.207 18393 4873 1 13 . 1 1 36 36 THR CB C 50 69.987 69.987 68.403 1.585 18393 4874 1 13 . 1 1 36 36 THR H H 50 6.801 6.801 7.925 -1.124 18393 4875 1 13 . 1 1 37 37 SER N N 51 114.587 114.587 122.011 -7.424 18393 4876 1 13 . 1 1 37 37 SER HA H 51 4.105 4.105 3.974 0.131 18393 4877 1 13 . 1 1 37 37 SER C C 51 174.760 174.760 175.109 -0.349 18393 4878 1 13 . 1 1 37 37 SER CA C 51 59.958 59.958 61.487 -1.530 18393 4879 1 13 . 1 1 37 37 SER CB C 51 63.115 63.115 62.700 0.415 18393 4880 1 13 . 1 1 37 37 SER H H 51 6.797 6.797 8.341 -1.544 18393 4881 1 13 . 1 1 38 38 ASP N N 52 117.329 117.329 119.314 -1.985 18393 4882 1 13 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.484 0.105 18393 4883 1 13 . 1 1 38 38 ASP C C 52 177.236 177.236 176.765 0.471 18393 4884 1 13 . 1 1 38 38 ASP CA C 52 54.550 54.550 55.466 -0.916 18393 4885 1 13 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.572 0.034 18393 4886 1 13 . 1 1 38 38 ASP H H 52 8.784 8.784 8.443 0.341 18393 4887 1 13 . 1 1 39 39 ARG N N 53 118.330 118.330 118.318 0.012 18393 4888 1 13 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.479 0.017 18393 4889 1 13 . 1 1 39 39 ARG C C 53 176.062 176.062 176.221 -0.159 18393 4890 1 13 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.783 -0.733 18393 4891 1 13 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.514 -2.073 18393 4892 1 13 . 1 1 39 39 ARG H H 53 7.666 7.666 8.044 -0.378 18393 4893 1 13 . 1 1 40 40 GLY N N 54 110.510 110.510 107.287 3.223 18393 4894 1 13 . 1 1 40 40 GLY C C 54 177.680 177.680 172.535 5.145 18393 4895 1 13 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.172 0.505 18393 4896 1 13 . 1 1 40 40 GLY H H 54 7.248 7.248 7.948 -0.700 18393 4897 1 13 . 1 1 41 41 TRP N N 55 123.328 123.328 123.095 0.233 18393 4898 1 13 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.784 0.135 18393 4899 1 13 . 1 1 41 41 TRP C C 55 178.873 178.873 177.444 1.429 18393 4900 1 13 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.614 0.503 18393 4901 1 13 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.437 0.337 18393 4902 1 13 . 1 1 41 41 TRP H H 55 8.289 8.289 8.285 0.004 18393 4903 1 13 . 1 1 42 42 THR N N 56 114.627 114.627 118.677 -4.050 18393 4904 1 13 . 1 1 42 42 THR HA H 56 4.329 4.329 4.314 0.015 18393 4905 1 13 . 1 1 42 42 THR C C 56 175.261 175.261 174.479 0.782 18393 4906 1 13 . 1 1 42 42 THR CA C 56 61.698 61.698 61.620 0.078 18393 4907 1 13 . 1 1 42 42 THR CB C 56 72.359 72.359 69.836 2.523 18393 4908 1 13 . 1 1 42 42 THR H H 56 8.972 8.972 8.501 0.471 18393 4909 1 13 . 1 1 43 43 ASP N N 57 120.151 120.151 119.924 0.227 18393 4910 1 13 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.368 0.077 18393 4911 1 13 . 1 1 43 43 ASP C C 57 175.710 175.710 176.395 -0.685 18393 4912 1 13 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.268 1.109 18393 4913 1 13 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.310 -0.438 18393 4914 1 13 . 1 1 43 43 ASP H H 57 8.379 8.379 8.329 0.050 18393 4915 1 13 . 1 1 44 44 GLU N N 58 122.449 122.449 123.337 -0.888 18393 4916 1 13 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.599 -0.134 18393 4917 1 13 . 1 1 44 44 GLU C C 58 176.412 176.412 176.506 -0.094 18393 4918 1 13 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.596 -1.125 18393 4919 1 13 . 1 1 44 44 GLU CB C 58 31.058 31.058 30.009 1.049 18393 4920 1 13 . 1 1 44 44 GLU H H 58 8.581 8.581 8.537 0.044 18393 4921 1 13 . 1 1 45 45 CYS N N 59 126.725 126.725 126.972 -0.247 18393 4922 1 13 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.514 0.181 18393 4923 1 13 . 1 1 45 45 CYS C C 59 173.364 173.364 174.090 -0.726 18393 4924 1 13 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.999 0.921 18393 4925 1 13 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.625 3.059 18393 4926 1 13 . 1 1 45 45 CYS H H 59 8.671 8.671 8.920 -0.249 18393 4927 1 13 . 1 1 46 46 ILE N N 60 126.614 126.614 126.925 -0.311 18393 4928 1 13 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.413 0.280 18393 4929 1 13 . 1 1 46 46 ILE C C 60 176.175 176.175 176.998 -0.823 18393 4930 1 13 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.731 0.045 18393 4931 1 13 . 1 1 46 46 ILE CB C 60 38.346 38.346 38.627 -0.281 18393 4932 1 13 . 1 1 46 46 ILE H H 60 8.735 8.735 8.416 0.319 18393 4933 1 13 . 1 1 47 47 GLY N N 61 112.366 112.366 115.941 -3.575 18393 4934 1 13 . 1 1 47 47 GLY C C 61 171.844 171.844 173.046 -1.202 18393 4935 1 13 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.542 -0.259 18393 4936 1 13 . 1 1 47 47 GLY H H 61 8.610 8.610 8.581 0.029 18393 4937 1 13 . 1 1 48 48 GLU N N 62 115.030 115.030 119.609 -4.579 18393 4938 1 13 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.718 -0.173 18393 4939 1 13 . 1 1 48 48 GLU C C 62 174.927 174.927 174.819 0.108 18393 4940 1 13 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.843 0.039 18393 4941 1 13 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.664 0.685 18393 4942 1 13 . 1 1 48 48 GLU H H 62 8.214 8.214 8.326 -0.112 18393 4943 1 13 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.441 0.423 18393 4944 1 13 . 1 1 49 49 PRO C C 63 178.286 178.286 176.158 2.128 18393 4945 1 13 . 1 1 49 49 PRO CA C 63 62.260 62.260 64.060 -1.800 18393 4946 1 13 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.428 -0.161 18393 4947 1 13 . 1 1 50 50 MET N N 64 123.505 123.505 125.152 -1.647 18393 4948 1 13 . 1 1 50 50 MET HA H 64 5.530 5.530 5.117 0.413 18393 4949 1 13 . 1 1 50 50 MET C C 64 176.337 176.337 174.807 1.530 18393 4950 1 13 . 1 1 50 50 MET CA C 64 51.674 51.674 51.406 0.268 18393 4951 1 13 . 1 1 50 50 MET CB C 64 37.597 37.597 34.290 3.307 18393 4952 1 13 . 1 1 50 50 MET H H 64 9.267 9.267 8.743 0.524 18393 4953 1 13 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.675 0.411 18393 4954 1 13 . 1 1 51 51 PRO C C 65 174.862 174.862 176.228 -1.366 18393 4955 1 13 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.257 0.409 18393 4956 1 13 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.381 1.146 18393 4957 1 13 . 1 1 52 52 SER N N 66 109.598 109.598 111.340 -1.742 18393 4958 1 13 . 1 1 52 52 SER HA H 66 4.813 4.813 4.342 0.471 18393 4959 1 13 . 1 1 52 52 SER C C 66 173.368 173.368 173.668 -0.300 18393 4960 1 13 . 1 1 52 52 SER CA C 66 55.463 55.463 56.200 -0.737 18393 4961 1 13 . 1 1 52 52 SER CB C 66 66.775 66.775 66.050 0.725 18393 4962 1 13 . 1 1 52 52 SER H H 66 7.165 7.165 7.246 -0.081 18393 4963 1 13 . 1 1 53 53 VAL N N 67 124.347 124.347 124.672 -0.325 18393 4964 1 13 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.344 -0.514 18393 4965 1 13 . 1 1 53 53 VAL C C 67 177.116 177.116 176.096 1.020 18393 4966 1 13 . 1 1 53 53 VAL CA C 67 66.829 66.829 63.510 3.319 18393 4967 1 13 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.524 -0.200 18393 4968 1 13 . 1 1 53 53 VAL H H 67 8.522 8.522 8.144 0.378 18393 4969 1 13 . 1 1 54 54 LYS N N 68 118.639 118.639 118.724 -0.085 18393 4970 1 13 . 1 1 54 54 LYS HA H 68 3.469 3.469 3.918 -0.449 18393 4971 1 13 . 1 1 54 54 LYS C C 68 178.286 178.286 178.346 -0.060 18393 4972 1 13 . 1 1 54 54 LYS CA C 68 60.350 60.350 58.464 1.886 18393 4973 1 13 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.940 0.424 18393 4974 1 13 . 1 1 54 54 LYS H H 68 8.098 8.098 7.423 0.675 18393 4975 1 13 . 1 1 55 55 LYS N N 69 115.388 115.388 119.000 -3.612 18393 4976 1 13 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.229 -0.135 18393 4977 1 13 . 1 1 55 55 LYS C C 69 179.694 179.694 178.694 1.000 18393 4978 1 13 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.959 -0.131 18393 4979 1 13 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.293 0.546 18393 4980 1 13 . 1 1 55 55 LYS H H 69 7.499 7.499 7.495 0.004 18393 4981 1 13 . 1 1 56 56 ALA N N 70 124.226 124.226 123.843 0.383 18393 4982 1 13 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.159 -0.010 18393 4983 1 13 . 1 1 56 56 ALA C C 70 181.217 181.217 179.377 1.840 18393 4984 1 13 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.344 0.372 18393 4985 1 13 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.451 2.059 18393 4986 1 13 . 1 1 56 56 ALA H H 70 8.296 8.296 8.008 0.288 18393 4987 1 13 . 1 1 57 57 LYS N N 71 120.522 120.522 118.428 2.094 18393 4988 1 13 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.108 -0.465 18393 4989 1 13 . 1 1 57 57 LYS C C 71 177.937 177.937 179.041 -1.104 18393 4990 1 13 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.261 0.826 18393 4991 1 13 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.970 0.158 18393 4992 1 13 . 1 1 57 57 LYS H H 71 8.385 8.385 7.451 0.934 18393 4993 1 13 . 1 1 58 58 ASP N N 72 119.428 119.428 119.832 -0.404 18393 4994 1 13 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.463 -0.157 18393 4995 1 13 . 1 1 58 58 ASP C C 72 177.042 177.042 178.894 -1.852 18393 4996 1 13 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.383 0.757 18393 4997 1 13 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.380 -0.255 18393 4998 1 13 . 1 1 58 58 ASP H H 72 8.029 8.029 7.724 0.305 18393 4999 1 13 . 1 1 59 59 SER N N 73 111.435 111.435 115.850 -4.415 18393 5000 1 13 . 1 1 59 59 SER HA H 73 4.243 4.243 4.120 0.123 18393 5001 1 13 . 1 1 59 59 SER C C 73 177.000 177.000 176.351 0.649 18393 5002 1 13 . 1 1 59 59 SER CA C 73 63.579 63.579 61.609 1.970 18393 5003 1 13 . 1 1 59 59 SER CB C 73 60.947 60.947 63.097 -2.151 18393 5004 1 13 . 1 1 59 59 SER H H 73 7.785 7.785 8.278 -0.493 18393 5005 1 13 . 1 1 60 60 ALA N N 74 120.363 120.363 123.350 -2.987 18393 5006 1 13 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.987 -0.024 18393 5007 1 13 . 1 1 60 60 ALA C C 74 178.170 178.170 179.411 -1.241 18393 5008 1 13 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.839 0.659 18393 5009 1 13 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.297 -0.386 18393 5010 1 13 . 1 1 60 60 ALA H H 74 7.472 7.472 7.709 -0.237 18393 5011 1 13 . 1 1 61 61 ALA N N 75 118.116 118.116 121.821 -3.705 18393 5012 1 13 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.078 -0.130 18393 5013 1 13 . 1 1 61 61 ALA C C 75 179.341 179.341 179.425 -0.084 18393 5014 1 13 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.215 0.445 18393 5015 1 13 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.422 0.520 18393 5016 1 13 . 1 1 61 61 ALA H H 75 8.653 8.653 8.584 0.069 18393 5017 1 13 . 1 1 62 62 VAL N N 76 115.858 115.858 118.030 -2.172 18393 5018 1 13 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.762 -0.106 18393 5019 1 13 . 1 1 62 62 VAL C C 76 178.051 178.051 178.041 0.010 18393 5020 1 13 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.714 -0.063 18393 5021 1 13 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.144 0.703 18393 5022 1 13 . 1 1 62 62 VAL H H 76 8.124 8.124 7.990 0.134 18393 5023 1 13 . 1 1 63 63 LEU N N 77 119.881 119.881 118.296 1.585 18393 5024 1 13 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.123 0.066 18393 5025 1 13 . 1 1 63 63 LEU C C 77 179.692 179.692 179.330 0.362 18393 5026 1 13 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.921 0.663 18393 5027 1 13 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.446 0.470 18393 5028 1 13 . 1 1 63 63 LEU H H 77 7.038 7.038 7.191 -0.153 18393 5029 1 13 . 1 1 64 64 LEU N N 78 122.083 122.083 122.093 -0.010 18393 5030 1 13 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.120 0.408 18393 5031 1 13 . 1 1 64 64 LEU C C 78 178.601 178.601 178.388 0.213 18393 5032 1 13 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.793 -0.335 18393 5033 1 13 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.955 -0.701 18393 5034 1 13 . 1 1 64 64 LEU H H 78 7.694 7.694 8.101 -0.407 18393 5035 1 13 . 1 1 65 65 LEU N N 79 120.548 120.548 118.156 2.392 18393 5036 1 13 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.020 -0.156 18393 5037 1 13 . 1 1 65 65 LEU C C 79 178.861 178.861 178.603 0.258 18393 5038 1 13 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.466 0.011 18393 5039 1 13 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.754 -0.136 18393 5040 1 13 . 1 1 65 65 LEU H H 79 8.671 8.671 8.716 -0.045 18393 5041 1 13 . 1 1 66 66 GLU N N 80 117.398 117.398 116.728 0.670 18393 5042 1 13 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.107 -0.048 18393 5043 1 13 . 1 1 66 66 GLU C C 80 178.957 178.957 177.852 1.105 18393 5044 1 13 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.373 0.963 18393 5045 1 13 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.391 -0.010 18393 5046 1 13 . 1 1 66 66 GLU H H 80 7.613 7.613 7.680 -0.067 18393 5047 1 13 . 1 1 67 67 LEU N N 81 120.633 120.633 120.620 0.013 18393 5048 1 13 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.177 -0.017 18393 5049 1 13 . 1 1 67 67 LEU C C 81 180.162 180.162 178.691 1.471 18393 5050 1 13 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.414 0.699 18393 5051 1 13 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.063 -0.006 18393 5052 1 13 . 1 1 67 67 LEU H H 81 7.656 7.656 7.404 0.252 18393 5053 1 13 . 1 1 68 68 LEU N N 82 118.949 118.949 118.367 0.582 18393 5054 1 13 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.270 -0.107 18393 5055 1 13 . 1 1 68 68 LEU C C 82 178.289 178.289 178.994 -0.705 18393 5056 1 13 . 1 1 68 68 LEU CA C 82 57.855 57.855 56.435 1.420 18393 5057 1 13 . 1 1 68 68 LEU CB C 82 42.018 42.018 39.851 2.167 18393 5058 1 13 . 1 1 68 68 LEU H H 82 8.583 8.583 8.312 0.271 18393 5059 1 13 . 1 1 69 69 ASN N N 83 116.570 116.570 116.968 -0.398 18393 5060 1 13 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.740 -0.011 18393 5061 1 13 . 1 1 69 69 ASN C C 83 174.784 174.784 175.204 -0.420 18393 5062 1 13 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.900 -0.161 18393 5063 1 13 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.032 0.116 18393 5064 1 13 . 1 1 69 69 ASN H H 83 7.920 7.920 7.978 -0.058 18393 5065 1 13 . 1 1 70 70 LYS N N 84 120.363 120.363 119.346 1.017 18393 5066 1 13 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.545 -0.141 18393 5067 1 13 . 1 1 70 70 LYS C C 84 175.910 175.910 174.968 0.942 18393 5068 1 13 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.588 1.248 18393 5069 1 13 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.894 0.105 18393 5070 1 13 . 1 1 70 70 LYS H H 84 7.593 7.593 7.651 -0.058 18393 5071 1 14 . 1 1 2 2 ASP N N 16 119.381 119.381 121.631 -2.250 18393 5072 1 14 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.423 -0.083 18393 5073 1 14 . 1 1 2 2 ASP C C 16 178.935 178.935 177.881 1.054 18393 5074 1 14 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.518 0.190 18393 5075 1 14 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.730 -0.049 18393 5076 1 14 . 1 1 2 2 ASP H H 16 8.320 8.320 8.756 -0.436 18393 5077 1 14 . 1 1 3 3 ILE N N 17 121.475 121.475 120.011 1.464 18393 5078 1 14 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.816 -0.270 18393 5079 1 14 . 1 1 3 3 ILE C C 17 177.116 177.116 177.919 -0.803 18393 5080 1 14 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.752 0.481 18393 5081 1 14 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.634 0.067 18393 5082 1 14 . 1 1 3 3 ILE H H 17 7.793 7.793 7.847 -0.054 18393 5083 1 14 . 1 1 4 4 CYS N N 18 117.506 117.506 118.632 -1.126 18393 5084 1 14 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.480 -0.538 18393 5085 1 14 . 1 1 4 4 CYS C C 18 176.671 176.671 177.230 -0.559 18393 5086 1 14 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.744 1.880 18393 5087 1 14 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.617 -0.652 18393 5088 1 14 . 1 1 4 4 CYS H H 18 7.823 7.823 8.104 -0.281 18393 5089 1 14 . 1 1 5 5 LEU N N 19 118.832 118.832 122.090 -3.258 18393 5090 1 14 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.176 -0.080 18393 5091 1 14 . 1 1 5 5 LEU C C 19 180.698 180.698 179.405 1.293 18393 5092 1 14 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.974 -0.037 18393 5093 1 14 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.773 0.294 18393 5094 1 14 . 1 1 5 5 LEU H H 19 8.101 8.101 8.722 -0.621 18393 5095 1 14 . 1 1 6 6 ARG N N 20 119.443 119.443 119.693 -0.250 18393 5096 1 14 . 1 1 6 6 ARG HA H 20 3.934 3.934 4.031 -0.097 18393 5097 1 14 . 1 1 6 6 ARG C C 20 178.169 178.169 177.867 0.302 18393 5098 1 14 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.059 0.816 18393 5099 1 14 . 1 1 6 6 ARG CB C 20 29.980 29.980 29.820 0.160 18393 5100 1 14 . 1 1 6 6 ARG H H 20 7.934 7.934 8.448 -0.514 18393 5101 1 14 . 1 1 7 7 LYS N N 21 116.636 116.636 116.733 -0.097 18393 5102 1 14 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.879 -0.106 18393 5103 1 14 . 1 1 7 7 LYS C C 21 175.224 175.224 175.825 -0.601 18393 5104 1 14 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.009 0.069 18393 5105 1 14 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.586 -0.069 18393 5106 1 14 . 1 1 7 7 LYS H H 21 7.553 7.553 7.363 0.190 18393 5107 1 14 . 1 1 8 8 ASN N N 22 114.898 114.898 114.505 0.393 18393 5108 1 14 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.399 -0.097 18393 5109 1 14 . 1 1 8 8 ASN C C 22 174.073 174.073 174.486 -0.413 18393 5110 1 14 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.319 0.114 18393 5111 1 14 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.523 -0.506 18393 5112 1 14 . 1 1 8 8 ASN H H 22 7.640 7.640 7.581 0.059 18393 5113 1 14 . 1 1 9 9 TRP N N 23 120.563 120.563 120.451 0.112 18393 5114 1 14 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.124 0.117 18393 5115 1 14 . 1 1 9 9 TRP C C 23 173.601 173.601 175.187 -1.586 18393 5116 1 14 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.493 -2.673 18393 5117 1 14 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.316 1.258 18393 5118 1 14 . 1 1 9 9 TRP H H 23 8.692 8.692 7.600 1.092 18393 5119 1 14 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.504 -0.045 18393 5120 1 14 . 1 1 10 10 PRO C C 24 175.391 175.391 176.444 -1.053 18393 5121 1 14 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.420 -0.322 18393 5122 1 14 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.701 -1.119 18393 5123 1 14 . 1 1 11 11 MET N N 25 116.562 116.562 117.084 -0.522 18393 5124 1 14 . 1 1 11 11 MET HA H 25 4.751 4.751 4.732 0.019 18393 5125 1 14 . 1 1 11 11 MET C C 25 175.240 175.240 174.876 0.364 18393 5126 1 14 . 1 1 11 11 MET CA C 25 53.800 53.800 53.455 0.345 18393 5127 1 14 . 1 1 11 11 MET CB C 25 30.695 30.695 30.999 -0.304 18393 5128 1 14 . 1 1 11 11 MET H H 25 8.201 8.201 8.436 -0.235 18393 5129 1 14 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.855 -0.531 18393 5130 1 14 . 1 1 12 12 PRO C C 26 174.890 174.890 175.845 -0.955 18393 5131 1 14 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.399 1.082 18393 5132 1 14 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.839 -0.114 18393 5133 1 14 . 1 1 13 13 SER N N 27 116.608 116.608 115.433 1.175 18393 5134 1 14 . 1 1 13 13 SER HA H 27 4.781 4.781 4.738 0.043 18393 5135 1 14 . 1 1 13 13 SER C C 27 173.365 173.365 173.566 -0.201 18393 5136 1 14 . 1 1 13 13 SER CA C 27 57.219 57.219 58.425 -1.206 18393 5137 1 14 . 1 1 13 13 SER CB C 27 64.227 64.227 64.008 0.219 18393 5138 1 14 . 1 1 13 13 SER H H 27 8.555 8.555 8.492 0.063 18393 5139 1 14 . 1 1 14 14 TYR N N 28 125.256 125.256 123.366 1.890 18393 5140 1 14 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.097 0.524 18393 5141 1 14 . 1 1 14 14 TYR C C 28 176.175 176.175 174.766 1.409 18393 5142 1 14 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.675 -0.112 18393 5143 1 14 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.717 1.144 18393 5144 1 14 . 1 1 14 14 TYR H H 28 8.939 8.939 8.521 0.418 18393 5145 1 14 . 1 1 15 15 ARG N N 29 120.540 120.540 123.367 -2.827 18393 5146 1 14 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.808 -0.266 18393 5147 1 14 . 1 1 15 15 ARG C C 29 173.134 173.134 175.304 -2.170 18393 5148 1 14 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.896 -0.076 18393 5149 1 14 . 1 1 15 15 ARG CB C 29 34.721 34.721 33.145 1.576 18393 5150 1 14 . 1 1 15 15 ARG H H 29 9.159 9.159 8.885 0.274 18393 5151 1 14 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.446 -1.549 18393 5152 1 14 . 1 1 16 16 CYS C C 30 174.180 174.180 175.426 -1.246 18393 5153 1 14 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.218 -1.499 18393 5154 1 14 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.369 -2.263 18393 5155 1 14 . 1 1 17 17 VAL N N 31 132.259 132.259 126.447 5.812 18393 5156 1 14 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.005 -0.354 18393 5157 1 14 . 1 1 17 17 VAL C C 31 175.711 175.711 175.726 -0.015 18393 5158 1 14 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.533 -0.447 18393 5159 1 14 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.082 0.430 18393 5160 1 14 . 1 1 17 17 VAL H H 31 8.659 8.659 8.827 -0.168 18393 5161 1 14 . 1 1 18 18 LYS N N 32 118.630 118.630 120.433 -1.803 18393 5162 1 14 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.605 -0.245 18393 5163 1 14 . 1 1 18 18 LYS C C 32 173.015 173.015 174.522 -1.507 18393 5164 1 14 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.255 1.147 18393 5165 1 14 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.001 1.003 18393 5166 1 14 . 1 1 18 18 LYS H H 32 7.673 7.673 8.266 -0.593 18393 5167 1 14 . 1 1 19 19 GLU N N 33 125.800 125.800 124.340 1.460 18393 5168 1 14 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.633 0.220 18393 5169 1 14 . 1 1 19 19 GLU C C 33 175.060 175.060 175.916 -0.856 18393 5170 1 14 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.390 -0.826 18393 5171 1 14 . 1 1 19 19 GLU CB C 33 32.137 32.137 30.939 1.198 18393 5172 1 14 . 1 1 19 19 GLU H H 33 8.431 8.431 8.663 -0.232 18393 5173 1 14 . 1 1 20 20 GLY N N 34 111.079 111.079 110.264 0.815 18393 5174 1 14 . 1 1 20 20 GLY C C 34 172.318 172.318 173.714 -1.396 18393 5175 1 14 . 1 1 20 20 GLY CA C 34 44.641 44.641 44.463 0.178 18393 5176 1 14 . 1 1 20 20 GLY H H 34 8.345 8.345 8.892 -0.547 18393 5177 1 14 . 1 1 21 21 GLY N N 35 107.395 107.395 108.925 -1.530 18393 5178 1 14 . 1 1 21 21 GLY C C 35 171.757 171.757 173.969 -2.212 18393 5179 1 14 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.739 -1.002 18393 5180 1 14 . 1 1 21 21 GLY H H 35 8.184 8.184 7.984 0.200 18393 5181 1 14 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.202 0.274 18393 5182 1 14 . 1 1 22 22 PRO C C 36 177.171 177.171 176.429 0.742 18393 5183 1 14 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.941 -2.678 18393 5184 1 14 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.989 0.272 18393 5185 1 14 . 1 1 23 23 ALA N N 37 120.595 120.595 114.724 5.871 18393 5186 1 14 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.317 -0.494 18393 5187 1 14 . 1 1 23 23 ALA C C 37 178.547 178.547 178.663 -0.116 18393 5188 1 14 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.343 3.150 18393 5189 1 14 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.971 -0.420 18393 5190 1 14 . 1 1 23 23 ALA H H 37 8.580 8.580 7.586 0.994 18393 5191 1 14 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.468 0.147 18393 5192 1 14 . 1 1 24 24 HIS C C 38 174.890 174.890 174.786 0.104 18393 5193 1 14 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.300 -1.439 18393 5194 1 14 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.488 0.872 18393 5195 1 14 . 1 1 25 25 ALA N N 39 128.271 128.271 121.300 6.971 18393 5196 1 14 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.477 -0.003 18393 5197 1 14 . 1 1 25 25 ALA C C 39 174.351 174.351 177.186 -2.835 18393 5198 1 14 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.544 -0.228 18393 5199 1 14 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.358 -1.247 18393 5200 1 14 . 1 1 25 25 ALA H H 39 7.697 7.697 7.636 0.061 18393 5201 1 14 . 1 1 26 26 LYS N N 40 121.927 121.927 120.260 1.667 18393 5202 1 14 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.215 -0.097 18393 5203 1 14 . 1 1 26 26 LYS C C 40 177.551 177.551 175.214 2.337 18393 5204 1 14 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.482 1.662 18393 5205 1 14 . 1 1 26 26 LYS CB C 40 33.072 33.072 31.698 1.375 18393 5206 1 14 . 1 1 26 26 LYS H H 40 7.990 7.990 7.579 0.411 18393 5207 1 14 . 1 1 27 27 ARG N N 41 119.572 119.572 117.934 1.638 18393 5208 1 14 . 1 1 27 27 ARG HA H 41 4.638 4.638 3.946 0.692 18393 5209 1 14 . 1 1 27 27 ARG C C 41 174.770 174.770 175.514 -0.744 18393 5210 1 14 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.667 -2.189 18393 5211 1 14 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.409 2.981 18393 5212 1 14 . 1 1 27 27 ARG H H 41 8.296 8.296 7.412 0.884 18393 5213 1 14 . 1 1 28 28 PHE N N 42 120.381 120.381 123.198 -2.817 18393 5214 1 14 . 1 1 28 28 PHE HA H 42 5.047 5.047 4.963 0.084 18393 5215 1 14 . 1 1 28 28 PHE C C 42 174.407 174.407 175.763 -1.356 18393 5216 1 14 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.529 1.497 18393 5217 1 14 . 1 1 28 28 PHE CB C 42 43.129 43.129 41.226 1.903 18393 5218 1 14 . 1 1 28 28 PHE H H 42 9.339 9.339 8.879 0.460 18393 5219 1 14 . 1 1 29 29 THR N N 43 117.999 117.999 117.240 0.759 18393 5220 1 14 . 1 1 29 29 THR HA H 43 4.704 4.704 4.783 -0.079 18393 5221 1 14 . 1 1 29 29 THR C C 43 173.713 173.713 172.844 0.869 18393 5222 1 14 . 1 1 29 29 THR CA C 43 62.117 62.117 61.874 0.243 18393 5223 1 14 . 1 1 29 29 THR CB C 43 70.104 70.104 71.316 -1.212 18393 5224 1 14 . 1 1 29 29 THR H H 43 8.949 8.949 8.704 0.245 18393 5225 1 14 . 1 1 30 30 PHE N N 44 129.592 129.592 126.290 3.302 18393 5226 1 14 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.944 0.451 18393 5227 1 14 . 1 1 30 30 PHE C C 44 173.221 173.221 172.784 0.437 18393 5228 1 14 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.086 0.337 18393 5229 1 14 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.584 1.333 18393 5230 1 14 . 1 1 30 30 PHE H H 44 10.048 10.048 8.781 1.267 18393 5231 1 14 . 1 1 31 31 GLY N N 45 105.921 105.921 109.045 -3.124 18393 5232 1 14 . 1 1 31 31 GLY C C 45 172.774 172.774 171.896 0.878 18393 5233 1 14 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.337 0.201 18393 5234 1 14 . 1 1 31 31 GLY H H 45 9.290 9.290 7.841 1.449 18393 5235 1 14 . 1 1 32 32 VAL N N 46 121.311 121.311 120.955 0.356 18393 5236 1 14 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.695 0.655 18393 5237 1 14 . 1 1 32 32 VAL C C 46 171.140 171.140 174.909 -3.769 18393 5238 1 14 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.062 -0.230 18393 5239 1 14 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.222 2.165 18393 5240 1 14 . 1 1 32 32 VAL H H 46 8.906 8.906 7.913 0.993 18393 5241 1 14 . 1 1 33 33 ARG N N 47 122.102 122.102 119.269 2.833 18393 5242 1 14 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.064 -0.493 18393 5243 1 14 . 1 1 33 33 ARG C C 47 173.683 173.683 174.347 -0.664 18393 5244 1 14 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.733 0.225 18393 5245 1 14 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.815 1.901 18393 5246 1 14 . 1 1 33 33 ARG H H 47 8.008 8.008 7.802 0.206 18393 5247 1 14 . 1 1 34 34 VAL N N 48 117.391 117.391 119.772 -2.381 18393 5248 1 14 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.473 0.314 18393 5249 1 14 . 1 1 34 34 VAL C C 48 172.777 172.777 173.924 -1.147 18393 5250 1 14 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.507 -0.537 18393 5251 1 14 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.248 0.064 18393 5252 1 14 . 1 1 34 34 VAL H H 48 8.103 8.103 9.155 -1.052 18393 5253 1 14 . 1 1 35 35 ASN N N 49 127.065 127.065 121.796 5.269 18393 5254 1 14 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.430 -0.894 18393 5255 1 14 . 1 1 35 35 ASN C C 49 174.221 174.221 174.008 0.213 18393 5256 1 14 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.660 -1.053 18393 5257 1 14 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.048 -3.306 18393 5258 1 14 . 1 1 35 35 ASN H H 49 8.543 8.543 8.607 -0.064 18393 5259 1 14 . 1 1 36 36 THR N N 50 114.402 114.402 115.501 -1.099 18393 5260 1 14 . 1 1 36 36 THR HA H 50 2.159 2.159 3.090 -0.931 18393 5261 1 14 . 1 1 36 36 THR C C 50 175.168 175.168 175.425 -0.257 18393 5262 1 14 . 1 1 36 36 THR CA C 50 61.126 61.126 61.078 0.048 18393 5263 1 14 . 1 1 36 36 THR CB C 50 69.987 69.987 68.817 1.170 18393 5264 1 14 . 1 1 36 36 THR H H 50 6.801 6.801 7.878 -1.077 18393 5265 1 14 . 1 1 37 37 SER N N 51 114.587 114.587 120.052 -5.465 18393 5266 1 14 . 1 1 37 37 SER HA H 51 4.105 4.105 3.982 0.123 18393 5267 1 14 . 1 1 37 37 SER C C 51 174.760 174.760 174.877 -0.117 18393 5268 1 14 . 1 1 37 37 SER CA C 51 59.958 59.958 60.970 -1.012 18393 5269 1 14 . 1 1 37 37 SER CB C 51 63.115 63.115 63.148 -0.033 18393 5270 1 14 . 1 1 37 37 SER H H 51 6.797 6.797 8.607 -1.810 18393 5271 1 14 . 1 1 38 38 ASP N N 52 117.329 117.329 117.849 -0.520 18393 5272 1 14 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.561 0.028 18393 5273 1 14 . 1 1 38 38 ASP C C 52 177.236 177.236 176.867 0.369 18393 5274 1 14 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.725 -0.175 18393 5275 1 14 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.856 -0.250 18393 5276 1 14 . 1 1 38 38 ASP H H 52 8.784 8.784 8.161 0.623 18393 5277 1 14 . 1 1 39 39 ARG N N 53 118.330 118.330 119.527 -1.197 18393 5278 1 14 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.587 -0.091 18393 5279 1 14 . 1 1 39 39 ARG C C 53 176.062 176.062 175.829 0.233 18393 5280 1 14 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.858 -0.808 18393 5281 1 14 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.357 -1.916 18393 5282 1 14 . 1 1 39 39 ARG H H 53 7.666 7.666 7.973 -0.307 18393 5283 1 14 . 1 1 40 40 GLY N N 54 110.510 110.510 107.151 3.359 18393 5284 1 14 . 1 1 40 40 GLY C C 54 177.680 177.680 172.369 5.311 18393 5285 1 14 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.279 0.398 18393 5286 1 14 . 1 1 40 40 GLY H H 54 7.248 7.248 7.824 -0.576 18393 5287 1 14 . 1 1 41 41 TRP N N 55 123.328 123.328 122.985 0.343 18393 5288 1 14 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.654 0.265 18393 5289 1 14 . 1 1 41 41 TRP C C 55 178.873 178.873 177.141 1.732 18393 5290 1 14 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.680 0.437 18393 5291 1 14 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.736 0.038 18393 5292 1 14 . 1 1 41 41 TRP H H 55 8.289 8.289 8.323 -0.034 18393 5293 1 14 . 1 1 42 42 THR N N 56 114.627 114.627 118.340 -3.713 18393 5294 1 14 . 1 1 42 42 THR HA H 56 4.329 4.329 4.291 0.038 18393 5295 1 14 . 1 1 42 42 THR C C 56 175.261 175.261 174.531 0.730 18393 5296 1 14 . 1 1 42 42 THR CA C 56 61.698 61.698 61.523 0.175 18393 5297 1 14 . 1 1 42 42 THR CB C 56 72.359 72.359 69.912 2.447 18393 5298 1 14 . 1 1 42 42 THR H H 56 8.972 8.972 8.506 0.466 18393 5299 1 14 . 1 1 43 43 ASP N N 57 120.151 120.151 120.938 -0.787 18393 5300 1 14 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.374 0.071 18393 5301 1 14 . 1 1 43 43 ASP C C 57 175.710 175.710 176.578 -0.868 18393 5302 1 14 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.394 0.983 18393 5303 1 14 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.115 -0.243 18393 5304 1 14 . 1 1 43 43 ASP H H 57 8.379 8.379 8.365 0.014 18393 5305 1 14 . 1 1 44 44 GLU N N 58 122.449 122.449 123.189 -0.740 18393 5306 1 14 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.369 0.096 18393 5307 1 14 . 1 1 44 44 GLU C C 58 176.412 176.412 176.567 -0.155 18393 5308 1 14 . 1 1 44 44 GLU CA C 58 55.471 55.471 57.014 -1.544 18393 5309 1 14 . 1 1 44 44 GLU CB C 58 31.058 31.058 30.195 0.863 18393 5310 1 14 . 1 1 44 44 GLU H H 58 8.581 8.581 8.566 0.015 18393 5311 1 14 . 1 1 45 45 CYS N N 59 126.725 126.725 127.012 -0.287 18393 5312 1 14 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.520 0.175 18393 5313 1 14 . 1 1 45 45 CYS C C 59 173.364 173.364 174.030 -0.666 18393 5314 1 14 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.579 1.341 18393 5315 1 14 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.009 3.675 18393 5316 1 14 . 1 1 45 45 CYS H H 59 8.671 8.671 8.931 -0.260 18393 5317 1 14 . 1 1 46 46 ILE N N 60 126.614 126.614 126.971 -0.357 18393 5318 1 14 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.181 0.512 18393 5319 1 14 . 1 1 46 46 ILE C C 60 176.175 176.175 176.701 -0.526 18393 5320 1 14 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.013 -0.237 18393 5321 1 14 . 1 1 46 46 ILE CB C 60 38.346 38.346 38.072 0.274 18393 5322 1 14 . 1 1 46 46 ILE H H 60 8.735 8.735 8.030 0.705 18393 5323 1 14 . 1 1 47 47 GLY N N 61 112.366 112.366 117.232 -4.866 18393 5324 1 14 . 1 1 47 47 GLY C C 61 171.844 171.844 173.593 -1.749 18393 5325 1 14 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.333 -0.050 18393 5326 1 14 . 1 1 47 47 GLY H H 61 8.610 8.610 8.714 -0.104 18393 5327 1 14 . 1 1 48 48 GLU N N 62 115.030 115.030 120.486 -5.456 18393 5328 1 14 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.529 0.016 18393 5329 1 14 . 1 1 48 48 GLU C C 62 174.927 174.927 174.625 0.302 18393 5330 1 14 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.443 -0.561 18393 5331 1 14 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.992 0.357 18393 5332 1 14 . 1 1 48 48 GLU H H 62 8.214 8.214 7.944 0.270 18393 5333 1 14 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.539 0.325 18393 5334 1 14 . 1 1 49 49 PRO C C 63 178.286 178.286 175.948 2.338 18393 5335 1 14 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.534 -1.274 18393 5336 1 14 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.554 -0.287 18393 5337 1 14 . 1 1 50 50 MET N N 64 123.505 123.505 124.489 -0.984 18393 5338 1 14 . 1 1 50 50 MET HA H 64 5.530 5.530 4.871 0.659 18393 5339 1 14 . 1 1 50 50 MET C C 64 176.337 176.337 174.724 1.613 18393 5340 1 14 . 1 1 50 50 MET CA C 64 51.674 51.674 51.550 0.124 18393 5341 1 14 . 1 1 50 50 MET CB C 64 37.597 37.597 34.145 3.452 18393 5342 1 14 . 1 1 50 50 MET H H 64 9.267 9.267 8.895 0.372 18393 5343 1 14 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.290 0.796 18393 5344 1 14 . 1 1 51 51 PRO C C 65 174.862 174.862 176.173 -1.311 18393 5345 1 14 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.982 0.684 18393 5346 1 14 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.298 1.229 18393 5347 1 14 . 1 1 52 52 SER N N 66 109.598 109.598 111.737 -2.139 18393 5348 1 14 . 1 1 52 52 SER HA H 66 4.813 4.813 4.896 -0.083 18393 5349 1 14 . 1 1 52 52 SER C C 66 173.368 173.368 174.851 -1.483 18393 5350 1 14 . 1 1 52 52 SER CA C 66 55.463 55.463 56.513 -1.050 18393 5351 1 14 . 1 1 52 52 SER CB C 66 66.775 66.775 66.078 0.697 18393 5352 1 14 . 1 1 52 52 SER H H 66 7.165 7.165 7.334 -0.169 18393 5353 1 14 . 1 1 53 53 VAL N N 67 124.347 124.347 123.676 0.671 18393 5354 1 14 . 1 1 53 53 VAL HA H 67 2.830 2.830 4.001 -1.171 18393 5355 1 14 . 1 1 53 53 VAL C C 67 177.116 177.116 176.664 0.452 18393 5356 1 14 . 1 1 53 53 VAL CA C 67 66.829 66.829 64.745 2.084 18393 5357 1 14 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.694 -0.370 18393 5358 1 14 . 1 1 53 53 VAL H H 67 8.522 8.522 8.897 -0.375 18393 5359 1 14 . 1 1 54 54 LYS N N 68 118.639 118.639 120.306 -1.667 18393 5360 1 14 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.035 -0.566 18393 5361 1 14 . 1 1 54 54 LYS C C 68 178.286 178.286 178.556 -0.270 18393 5362 1 14 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.694 0.656 18393 5363 1 14 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.325 0.039 18393 5364 1 14 . 1 1 54 54 LYS H H 68 8.098 8.098 7.594 0.504 18393 5365 1 14 . 1 1 55 55 LYS N N 69 115.388 115.388 118.067 -2.679 18393 5366 1 14 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.711 -0.617 18393 5367 1 14 . 1 1 55 55 LYS C C 69 179.694 179.694 178.383 1.311 18393 5368 1 14 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.154 0.674 18393 5369 1 14 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.155 0.684 18393 5370 1 14 . 1 1 55 55 LYS H H 69 7.499 7.499 7.661 -0.162 18393 5371 1 14 . 1 1 56 56 ALA N N 70 124.226 124.226 124.605 -0.379 18393 5372 1 14 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.195 -0.046 18393 5373 1 14 . 1 1 56 56 ALA C C 70 181.217 181.217 180.093 1.124 18393 5374 1 14 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.243 0.473 18393 5375 1 14 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.429 2.081 18393 5376 1 14 . 1 1 56 56 ALA H H 70 8.296 8.296 8.159 0.137 18393 5377 1 14 . 1 1 57 57 LYS N N 71 120.522 120.522 118.763 1.759 18393 5378 1 14 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.141 -0.498 18393 5379 1 14 . 1 1 57 57 LYS C C 71 177.937 177.937 178.854 -0.917 18393 5380 1 14 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.354 0.733 18393 5381 1 14 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.923 0.205 18393 5382 1 14 . 1 1 57 57 LYS H H 71 8.385 8.385 7.604 0.781 18393 5383 1 14 . 1 1 58 58 ASP N N 72 119.428 119.428 119.320 0.108 18393 5384 1 14 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.412 -0.106 18393 5385 1 14 . 1 1 58 58 ASP C C 72 177.042 177.042 178.597 -1.555 18393 5386 1 14 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.721 0.419 18393 5387 1 14 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.530 -0.405 18393 5388 1 14 . 1 1 58 58 ASP H H 72 8.029 8.029 7.847 0.182 18393 5389 1 14 . 1 1 59 59 SER N N 73 111.435 111.435 115.734 -4.299 18393 5390 1 14 . 1 1 59 59 SER HA H 73 4.243 4.243 4.179 0.064 18393 5391 1 14 . 1 1 59 59 SER C C 73 177.000 177.000 176.641 0.359 18393 5392 1 14 . 1 1 59 59 SER CA C 73 63.579 63.579 61.758 1.821 18393 5393 1 14 . 1 1 59 59 SER CB C 73 60.947 60.947 62.662 -1.715 18393 5394 1 14 . 1 1 59 59 SER H H 73 7.785 7.785 8.347 -0.562 18393 5395 1 14 . 1 1 60 60 ALA N N 74 120.363 120.363 124.768 -4.405 18393 5396 1 14 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.003 -0.040 18393 5397 1 14 . 1 1 60 60 ALA C C 74 178.170 178.170 179.374 -1.204 18393 5398 1 14 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.872 0.626 18393 5399 1 14 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.380 -0.469 18393 5400 1 14 . 1 1 60 60 ALA H H 74 7.472 7.472 7.808 -0.336 18393 5401 1 14 . 1 1 61 61 ALA N N 75 118.116 118.116 121.773 -3.657 18393 5402 1 14 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.053 -0.105 18393 5403 1 14 . 1 1 61 61 ALA C C 75 179.341 179.341 179.641 -0.300 18393 5404 1 14 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.251 0.409 18393 5405 1 14 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.413 0.529 18393 5406 1 14 . 1 1 61 61 ALA H H 75 8.653 8.653 8.659 -0.006 18393 5407 1 14 . 1 1 62 62 VAL N N 76 115.858 115.858 118.082 -2.224 18393 5408 1 14 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.659 -0.003 18393 5409 1 14 . 1 1 62 62 VAL C C 76 178.051 178.051 177.984 0.067 18393 5410 1 14 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.619 0.032 18393 5411 1 14 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.680 0.167 18393 5412 1 14 . 1 1 62 62 VAL H H 76 8.124 8.124 8.215 -0.091 18393 5413 1 14 . 1 1 63 63 LEU N N 77 119.881 119.881 118.562 1.319 18393 5414 1 14 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.251 -0.062 18393 5415 1 14 . 1 1 63 63 LEU C C 77 179.692 179.692 179.126 0.566 18393 5416 1 14 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.947 0.638 18393 5417 1 14 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.645 0.271 18393 5418 1 14 . 1 1 63 63 LEU H H 77 7.038 7.038 7.265 -0.227 18393 5419 1 14 . 1 1 64 64 LEU N N 78 122.083 122.083 122.187 -0.104 18393 5420 1 14 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.132 0.396 18393 5421 1 14 . 1 1 64 64 LEU C C 78 178.601 178.601 178.582 0.019 18393 5422 1 14 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.826 -0.368 18393 5423 1 14 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.148 -0.894 18393 5424 1 14 . 1 1 64 64 LEU H H 78 7.694 7.694 8.148 -0.454 18393 5425 1 14 . 1 1 65 65 LEU N N 79 120.548 120.548 118.317 2.231 18393 5426 1 14 . 1 1 65 65 LEU HA H 79 3.864 3.864 3.983 -0.119 18393 5427 1 14 . 1 1 65 65 LEU C C 79 178.861 178.861 179.169 -0.308 18393 5428 1 14 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.116 0.361 18393 5429 1 14 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.264 0.354 18393 5430 1 14 . 1 1 65 65 LEU H H 79 8.671 8.671 8.795 -0.124 18393 5431 1 14 . 1 1 66 66 GLU N N 80 117.398 117.398 117.557 -0.159 18393 5432 1 14 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.116 -0.057 18393 5433 1 14 . 1 1 66 66 GLU C C 80 178.957 178.957 177.604 1.353 18393 5434 1 14 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.736 0.600 18393 5435 1 14 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.306 0.075 18393 5436 1 14 . 1 1 66 66 GLU H H 80 7.613 7.613 7.652 -0.039 18393 5437 1 14 . 1 1 67 67 LEU N N 81 120.633 120.633 119.904 0.729 18393 5438 1 14 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.096 0.064 18393 5439 1 14 . 1 1 67 67 LEU C C 81 180.162 180.162 178.880 1.282 18393 5440 1 14 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.347 0.766 18393 5441 1 14 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.510 -0.453 18393 5442 1 14 . 1 1 67 67 LEU H H 81 7.656 7.656 7.630 0.026 18393 5443 1 14 . 1 1 68 68 LEU N N 82 118.949 118.949 116.963 1.986 18393 5444 1 14 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.171 -0.008 18393 5445 1 14 . 1 1 68 68 LEU C C 82 178.289 178.289 179.089 -0.800 18393 5446 1 14 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.087 0.768 18393 5447 1 14 . 1 1 68 68 LEU CB C 82 42.018 42.018 40.819 1.200 18393 5448 1 14 . 1 1 68 68 LEU H H 82 8.583 8.583 7.962 0.621 18393 5449 1 14 . 1 1 69 69 ASN N N 83 116.570 116.570 115.430 1.140 18393 5450 1 14 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.667 0.062 18393 5451 1 14 . 1 1 69 69 ASN C C 83 174.784 174.784 174.671 0.113 18393 5452 1 14 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.224 0.515 18393 5453 1 14 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.105 0.043 18393 5454 1 14 . 1 1 69 69 ASN H H 83 7.920 7.920 7.535 0.385 18393 5455 1 14 . 1 1 70 70 LYS N N 84 120.363 120.363 117.667 2.696 18393 5456 1 14 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.135 0.270 18393 5457 1 14 . 1 1 70 70 LYS C C 84 175.910 175.910 174.628 1.282 18393 5458 1 14 . 1 1 70 70 LYS CA C 84 56.836 56.836 57.264 -0.428 18393 5459 1 14 . 1 1 70 70 LYS CB C 84 32.999 32.999 31.678 1.321 18393 5460 1 14 . 1 1 70 70 LYS H H 84 7.593 7.593 7.787 -0.194 18393 5461 1 15 . 1 1 2 2 ASP N N 16 119.381 119.381 121.201 -1.820 18393 5462 1 15 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.345 -0.005 18393 5463 1 15 . 1 1 2 2 ASP C C 16 178.935 178.935 177.994 0.941 18393 5464 1 15 . 1 1 2 2 ASP CA C 16 57.708 57.708 58.473 -0.765 18393 5465 1 15 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.503 0.178 18393 5466 1 15 . 1 1 2 2 ASP H H 16 8.320 8.320 8.666 -0.346 18393 5467 1 15 . 1 1 3 3 ILE N N 17 121.475 121.475 119.441 2.034 18393 5468 1 15 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.775 -0.229 18393 5469 1 15 . 1 1 3 3 ILE C C 17 177.116 177.116 177.796 -0.680 18393 5470 1 15 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.696 0.537 18393 5471 1 15 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.770 -0.069 18393 5472 1 15 . 1 1 3 3 ILE H H 17 7.793 7.793 7.966 -0.173 18393 5473 1 15 . 1 1 4 4 CYS N N 18 117.506 117.506 118.040 -0.534 18393 5474 1 15 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.371 -0.429 18393 5475 1 15 . 1 1 4 4 CYS C C 18 176.671 176.671 176.956 -0.285 18393 5476 1 15 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.610 2.014 18393 5477 1 15 . 1 1 4 4 CYS CB C 18 25.965 25.965 27.122 -1.157 18393 5478 1 15 . 1 1 4 4 CYS H H 18 7.823 7.823 7.390 0.433 18393 5479 1 15 . 1 1 5 5 LEU N N 19 118.832 118.832 123.281 -4.449 18393 5480 1 15 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.266 -0.170 18393 5481 1 15 . 1 1 5 5 LEU C C 19 180.698 180.698 179.228 1.470 18393 5482 1 15 . 1 1 5 5 LEU CA C 19 57.937 57.937 58.033 -0.096 18393 5483 1 15 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.902 0.164 18393 5484 1 15 . 1 1 5 5 LEU H H 19 8.101 8.101 8.474 -0.373 18393 5485 1 15 . 1 1 6 6 ARG N N 20 119.443 119.443 119.488 -0.045 18393 5486 1 15 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.942 -0.008 18393 5487 1 15 . 1 1 6 6 ARG C C 20 178.169 178.169 177.787 0.382 18393 5488 1 15 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.743 0.132 18393 5489 1 15 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.076 -0.096 18393 5490 1 15 . 1 1 6 6 ARG H H 20 7.934 7.934 8.492 -0.558 18393 5491 1 15 . 1 1 7 7 LYS N N 21 116.636 116.636 116.588 0.048 18393 5492 1 15 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.874 -0.101 18393 5493 1 15 . 1 1 7 7 LYS C C 21 175.224 175.224 175.124 0.100 18393 5494 1 15 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.293 -0.215 18393 5495 1 15 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.825 -0.308 18393 5496 1 15 . 1 1 7 7 LYS H H 21 7.553 7.553 7.283 0.270 18393 5497 1 15 . 1 1 8 8 ASN N N 22 114.898 114.898 112.439 2.459 18393 5498 1 15 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.386 -0.084 18393 5499 1 15 . 1 1 8 8 ASN C C 22 174.073 174.073 174.566 -0.493 18393 5500 1 15 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.581 -0.148 18393 5501 1 15 . 1 1 8 8 ASN CB C 22 37.017 37.017 36.751 0.266 18393 5502 1 15 . 1 1 8 8 ASN H H 22 7.640 7.640 7.612 0.028 18393 5503 1 15 . 1 1 9 9 TRP N N 23 120.563 120.563 120.067 0.496 18393 5504 1 15 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.178 0.063 18393 5505 1 15 . 1 1 9 9 TRP C C 23 173.601 173.601 174.621 -1.020 18393 5506 1 15 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.181 -2.361 18393 5507 1 15 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.893 0.681 18393 5508 1 15 . 1 1 9 9 TRP H H 23 8.692 8.692 7.954 0.738 18393 5509 1 15 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.590 -0.131 18393 5510 1 15 . 1 1 10 10 PRO C C 24 175.391 175.391 176.826 -1.435 18393 5511 1 15 . 1 1 10 10 PRO CA C 24 62.098 62.098 61.992 0.106 18393 5512 1 15 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.665 -1.083 18393 5513 1 15 . 1 1 11 11 MET N N 25 116.562 116.562 118.294 -1.732 18393 5514 1 15 . 1 1 11 11 MET HA H 25 4.751 4.751 4.598 0.153 18393 5515 1 15 . 1 1 11 11 MET C C 25 175.240 175.240 175.111 0.129 18393 5516 1 15 . 1 1 11 11 MET CA C 25 53.800 53.800 53.500 0.300 18393 5517 1 15 . 1 1 11 11 MET CB C 25 30.695 30.695 30.411 0.284 18393 5518 1 15 . 1 1 11 11 MET H H 25 8.201 8.201 8.556 -0.355 18393 5519 1 15 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.496 -0.172 18393 5520 1 15 . 1 1 12 12 PRO C C 26 174.890 174.890 176.245 -1.355 18393 5521 1 15 . 1 1 12 12 PRO CA C 26 63.481 63.481 63.100 0.381 18393 5522 1 15 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.456 0.268 18393 5523 1 15 . 1 1 13 13 SER N N 27 116.608 116.608 115.332 1.276 18393 5524 1 15 . 1 1 13 13 SER HA H 27 4.781 4.781 4.708 0.073 18393 5525 1 15 . 1 1 13 13 SER C C 27 173.365 173.365 173.394 -0.029 18393 5526 1 15 . 1 1 13 13 SER CA C 27 57.219 57.219 57.919 -0.700 18393 5527 1 15 . 1 1 13 13 SER CB C 27 64.227 64.227 64.204 0.023 18393 5528 1 15 . 1 1 13 13 SER H H 27 8.555 8.555 8.366 0.189 18393 5529 1 15 . 1 1 14 14 TYR N N 28 125.256 125.256 123.624 1.632 18393 5530 1 15 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.030 0.591 18393 5531 1 15 . 1 1 14 14 TYR C C 28 176.175 176.175 174.736 1.439 18393 5532 1 15 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.728 -0.165 18393 5533 1 15 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.562 1.299 18393 5534 1 15 . 1 1 14 14 TYR H H 28 8.939 8.939 8.581 0.358 18393 5535 1 15 . 1 1 15 15 ARG N N 29 120.540 120.540 125.013 -4.473 18393 5536 1 15 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.770 -0.228 18393 5537 1 15 . 1 1 15 15 ARG C C 29 173.134 173.134 175.088 -1.954 18393 5538 1 15 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.298 0.521 18393 5539 1 15 . 1 1 15 15 ARG CB C 29 34.721 34.721 33.559 1.162 18393 5540 1 15 . 1 1 15 15 ARG H H 29 9.159 9.159 9.182 -0.023 18393 5541 1 15 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.710 -1.813 18393 5542 1 15 . 1 1 16 16 CYS C C 30 174.180 174.180 175.565 -1.385 18393 5543 1 15 . 1 1 16 16 CYS CA C 30 58.719 58.719 59.466 -0.747 18393 5544 1 15 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.317 -2.211 18393 5545 1 15 . 1 1 17 17 VAL N N 31 132.259 132.259 121.711 10.548 18393 5546 1 15 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.157 -0.506 18393 5547 1 15 . 1 1 17 17 VAL C C 31 175.711 175.711 175.756 -0.045 18393 5548 1 15 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.514 0.572 18393 5549 1 15 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.108 0.404 18393 5550 1 15 . 1 1 17 17 VAL H H 31 8.659 8.659 8.491 0.168 18393 5551 1 15 . 1 1 18 18 LYS N N 32 118.630 118.630 122.161 -3.531 18393 5552 1 15 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.612 -0.252 18393 5553 1 15 . 1 1 18 18 LYS C C 32 173.015 173.015 174.483 -1.468 18393 5554 1 15 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.874 0.528 18393 5555 1 15 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.293 1.711 18393 5556 1 15 . 1 1 18 18 LYS H H 32 7.673 7.673 8.250 -0.577 18393 5557 1 15 . 1 1 19 19 GLU N N 33 125.800 125.800 123.662 2.138 18393 5558 1 15 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.418 0.435 18393 5559 1 15 . 1 1 19 19 GLU C C 33 175.060 175.060 175.045 0.015 18393 5560 1 15 . 1 1 19 19 GLU CA C 33 54.564 54.564 54.955 -0.391 18393 5561 1 15 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.575 -0.438 18393 5562 1 15 . 1 1 19 19 GLU H H 33 8.431 8.431 8.420 0.011 18393 5563 1 15 . 1 1 20 20 GLY N N 34 111.079 111.079 107.523 3.556 18393 5564 1 15 . 1 1 20 20 GLY C C 34 172.318 172.318 172.641 -0.323 18393 5565 1 15 . 1 1 20 20 GLY CA C 34 44.641 44.641 44.573 0.068 18393 5566 1 15 . 1 1 20 20 GLY H H 34 8.345 8.345 8.252 0.093 18393 5567 1 15 . 1 1 21 21 GLY N N 35 107.395 107.395 108.440 -1.045 18393 5568 1 15 . 1 1 21 21 GLY C C 35 171.757 171.757 172.441 -0.684 18393 5569 1 15 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.569 -0.832 18393 5570 1 15 . 1 1 21 21 GLY H H 35 8.184 8.184 7.663 0.521 18393 5571 1 15 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.162 0.314 18393 5572 1 15 . 1 1 22 22 PRO C C 36 177.171 177.171 176.178 0.993 18393 5573 1 15 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.497 -2.234 18393 5574 1 15 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.256 0.005 18393 5575 1 15 . 1 1 23 23 ALA N N 37 120.595 120.595 115.504 5.091 18393 5576 1 15 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.286 -0.463 18393 5577 1 15 . 1 1 23 23 ALA C C 37 178.547 178.547 178.976 -0.429 18393 5578 1 15 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.247 3.246 18393 5579 1 15 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.972 -0.421 18393 5580 1 15 . 1 1 23 23 ALA H H 37 8.580 8.580 7.645 0.935 18393 5581 1 15 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.510 0.105 18393 5582 1 15 . 1 1 24 24 HIS C C 38 174.890 174.890 174.808 0.082 18393 5583 1 15 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.584 -1.723 18393 5584 1 15 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.721 0.639 18393 5585 1 15 . 1 1 25 25 ALA N N 39 128.271 128.271 120.479 7.792 18393 5586 1 15 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.367 0.107 18393 5587 1 15 . 1 1 25 25 ALA C C 39 174.351 174.351 177.707 -3.356 18393 5588 1 15 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.368 -0.052 18393 5589 1 15 . 1 1 25 25 ALA CB C 39 18.111 18.111 18.485 -0.374 18393 5590 1 15 . 1 1 25 25 ALA H H 39 7.697 7.697 7.659 0.038 18393 5591 1 15 . 1 1 26 26 LYS N N 40 121.927 121.927 120.441 1.486 18393 5592 1 15 . 1 1 26 26 LYS HA H 40 4.118 4.118 3.971 0.147 18393 5593 1 15 . 1 1 26 26 LYS C C 40 177.551 177.551 175.424 2.127 18393 5594 1 15 . 1 1 26 26 LYS CA C 40 56.144 56.144 55.022 1.123 18393 5595 1 15 . 1 1 26 26 LYS CB C 40 33.072 33.072 31.585 1.487 18393 5596 1 15 . 1 1 26 26 LYS H H 40 7.990 7.990 7.303 0.687 18393 5597 1 15 . 1 1 27 27 ARG N N 41 119.572 119.572 116.605 2.967 18393 5598 1 15 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.621 0.017 18393 5599 1 15 . 1 1 27 27 ARG C C 41 174.770 174.770 175.284 -0.514 18393 5600 1 15 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.299 -1.821 18393 5601 1 15 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.973 2.417 18393 5602 1 15 . 1 1 27 27 ARG H H 41 8.296 8.296 7.209 1.087 18393 5603 1 15 . 1 1 28 28 PHE N N 42 120.381 120.381 122.241 -1.860 18393 5604 1 15 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.291 -0.244 18393 5605 1 15 . 1 1 28 28 PHE C C 42 174.407 174.407 175.832 -1.425 18393 5606 1 15 . 1 1 28 28 PHE CA C 42 57.026 57.026 56.486 0.540 18393 5607 1 15 . 1 1 28 28 PHE CB C 42 43.129 43.129 41.437 1.692 18393 5608 1 15 . 1 1 28 28 PHE H H 42 9.339 9.339 9.278 0.061 18393 5609 1 15 . 1 1 29 29 THR N N 43 117.999 117.999 119.756 -1.757 18393 5610 1 15 . 1 1 29 29 THR HA H 43 4.704 4.704 4.812 -0.108 18393 5611 1 15 . 1 1 29 29 THR C C 43 173.713 173.713 172.702 1.011 18393 5612 1 15 . 1 1 29 29 THR CA C 43 62.117 62.117 61.553 0.564 18393 5613 1 15 . 1 1 29 29 THR CB C 43 70.104 70.104 70.438 -0.334 18393 5614 1 15 . 1 1 29 29 THR H H 43 8.949 8.949 9.171 -0.222 18393 5615 1 15 . 1 1 30 30 PHE N N 44 129.592 129.592 126.932 2.660 18393 5616 1 15 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.987 0.408 18393 5617 1 15 . 1 1 30 30 PHE C C 44 173.221 173.221 172.758 0.463 18393 5618 1 15 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.143 0.280 18393 5619 1 15 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.427 1.490 18393 5620 1 15 . 1 1 30 30 PHE H H 44 10.048 10.048 8.821 1.227 18393 5621 1 15 . 1 1 31 31 GLY N N 45 105.921 105.921 109.621 -3.700 18393 5622 1 15 . 1 1 31 31 GLY C C 45 172.774 172.774 171.688 1.086 18393 5623 1 15 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.357 0.181 18393 5624 1 15 . 1 1 31 31 GLY H H 45 9.290 9.290 7.909 1.381 18393 5625 1 15 . 1 1 32 32 VAL N N 46 121.311 121.311 121.804 -0.493 18393 5626 1 15 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.679 0.671 18393 5627 1 15 . 1 1 32 32 VAL C C 46 171.140 171.140 174.870 -3.730 18393 5628 1 15 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.752 -0.920 18393 5629 1 15 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.299 2.088 18393 5630 1 15 . 1 1 32 32 VAL H H 46 8.906 8.906 7.950 0.956 18393 5631 1 15 . 1 1 33 33 ARG N N 47 122.102 122.102 120.333 1.769 18393 5632 1 15 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.213 -0.642 18393 5633 1 15 . 1 1 33 33 ARG C C 47 173.683 173.683 174.443 -0.760 18393 5634 1 15 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.533 0.425 18393 5635 1 15 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.801 1.915 18393 5636 1 15 . 1 1 33 33 ARG H H 47 8.008 8.008 7.815 0.193 18393 5637 1 15 . 1 1 34 34 VAL N N 48 117.391 117.391 120.573 -3.182 18393 5638 1 15 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.533 0.254 18393 5639 1 15 . 1 1 34 34 VAL C C 48 172.777 172.777 173.438 -0.661 18393 5640 1 15 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.444 -0.474 18393 5641 1 15 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.133 0.180 18393 5642 1 15 . 1 1 34 34 VAL H H 48 8.103 8.103 9.026 -0.923 18393 5643 1 15 . 1 1 35 35 ASN N N 49 127.065 127.065 122.107 4.958 18393 5644 1 15 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.287 -0.751 18393 5645 1 15 . 1 1 35 35 ASN C C 49 174.221 174.221 174.306 -0.085 18393 5646 1 15 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.145 -0.538 18393 5647 1 15 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.403 -2.661 18393 5648 1 15 . 1 1 35 35 ASN H H 49 8.543 8.543 8.627 -0.084 18393 5649 1 15 . 1 1 36 36 THR N N 50 114.402 114.402 115.095 -0.693 18393 5650 1 15 . 1 1 36 36 THR HA H 50 2.159 2.159 2.996 -0.837 18393 5651 1 15 . 1 1 36 36 THR C C 50 175.168 175.168 175.791 -0.623 18393 5652 1 15 . 1 1 36 36 THR CA C 50 61.126 61.126 61.714 -0.588 18393 5653 1 15 . 1 1 36 36 THR CB C 50 69.987 69.987 68.915 1.072 18393 5654 1 15 . 1 1 36 36 THR H H 50 6.801 6.801 7.659 -0.858 18393 5655 1 15 . 1 1 37 37 SER N N 51 114.587 114.587 120.723 -6.136 18393 5656 1 15 . 1 1 37 37 SER HA H 51 4.105 4.105 4.079 0.026 18393 5657 1 15 . 1 1 37 37 SER C C 51 174.760 174.760 174.891 -0.131 18393 5658 1 15 . 1 1 37 37 SER CA C 51 59.958 59.958 61.177 -1.219 18393 5659 1 15 . 1 1 37 37 SER CB C 51 63.115 63.115 63.074 0.042 18393 5660 1 15 . 1 1 37 37 SER H H 51 6.797 6.797 8.650 -1.853 18393 5661 1 15 . 1 1 38 38 ASP N N 52 117.329 117.329 118.831 -1.502 18393 5662 1 15 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.589 -0.000 18393 5663 1 15 . 1 1 38 38 ASP C C 52 177.236 177.236 176.437 0.799 18393 5664 1 15 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.344 0.206 18393 5665 1 15 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.759 -0.153 18393 5666 1 15 . 1 1 38 38 ASP H H 52 8.784 8.784 7.993 0.791 18393 5667 1 15 . 1 1 39 39 ARG N N 53 118.330 118.330 120.416 -2.086 18393 5668 1 15 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.389 0.107 18393 5669 1 15 . 1 1 39 39 ARG C C 53 176.062 176.062 176.203 -0.141 18393 5670 1 15 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.031 -0.981 18393 5671 1 15 . 1 1 39 39 ARG CB C 53 31.441 31.441 32.994 -1.553 18393 5672 1 15 . 1 1 39 39 ARG H H 53 7.666 7.666 7.824 -0.158 18393 5673 1 15 . 1 1 40 40 GLY N N 54 110.510 110.510 107.279 3.231 18393 5674 1 15 . 1 1 40 40 GLY C C 54 177.680 177.680 172.649 5.031 18393 5675 1 15 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.155 0.522 18393 5676 1 15 . 1 1 40 40 GLY H H 54 7.248 7.248 7.795 -0.547 18393 5677 1 15 . 1 1 41 41 TRP N N 55 123.328 123.328 123.528 -0.200 18393 5678 1 15 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.791 0.128 18393 5679 1 15 . 1 1 41 41 TRP C C 55 178.873 178.873 177.438 1.435 18393 5680 1 15 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.198 0.919 18393 5681 1 15 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.388 0.386 18393 5682 1 15 . 1 1 41 41 TRP H H 55 8.289 8.289 8.242 0.047 18393 5683 1 15 . 1 1 42 42 THR N N 56 114.627 114.627 118.900 -4.273 18393 5684 1 15 . 1 1 42 42 THR HA H 56 4.329 4.329 4.271 0.058 18393 5685 1 15 . 1 1 42 42 THR C C 56 175.261 175.261 174.813 0.448 18393 5686 1 15 . 1 1 42 42 THR CA C 56 61.698 61.698 61.676 0.022 18393 5687 1 15 . 1 1 42 42 THR CB C 56 72.359 72.359 69.567 2.792 18393 5688 1 15 . 1 1 42 42 THR H H 56 8.972 8.972 8.578 0.394 18393 5689 1 15 . 1 1 43 43 ASP N N 57 120.151 120.151 121.604 -1.453 18393 5690 1 15 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.468 -0.023 18393 5691 1 15 . 1 1 43 43 ASP C C 57 175.710 175.710 176.481 -0.771 18393 5692 1 15 . 1 1 43 43 ASP CA C 57 55.377 55.377 55.111 0.266 18393 5693 1 15 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.330 -0.458 18393 5694 1 15 . 1 1 43 43 ASP H H 57 8.379 8.379 8.384 -0.005 18393 5695 1 15 . 1 1 44 44 GLU N N 58 122.449 122.449 123.777 -1.328 18393 5696 1 15 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.407 0.058 18393 5697 1 15 . 1 1 44 44 GLU C C 58 176.412 176.412 176.505 -0.093 18393 5698 1 15 . 1 1 44 44 GLU CA C 58 55.471 55.471 57.010 -1.539 18393 5699 1 15 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.837 1.222 18393 5700 1 15 . 1 1 44 44 GLU H H 58 8.581 8.581 8.616 -0.035 18393 5701 1 15 . 1 1 45 45 CYS N N 59 126.725 126.725 127.934 -1.209 18393 5702 1 15 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.507 0.188 18393 5703 1 15 . 1 1 45 45 CYS C C 59 173.364 173.364 174.103 -0.739 18393 5704 1 15 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.662 1.258 18393 5705 1 15 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.121 3.563 18393 5706 1 15 . 1 1 45 45 CYS H H 59 8.671 8.671 8.739 -0.068 18393 5707 1 15 . 1 1 46 46 ILE N N 60 126.614 126.614 126.477 0.137 18393 5708 1 15 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.457 0.236 18393 5709 1 15 . 1 1 46 46 ILE C C 60 176.175 176.175 176.777 -0.602 18393 5710 1 15 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.205 0.571 18393 5711 1 15 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.441 0.905 18393 5712 1 15 . 1 1 46 46 ILE H H 60 8.735 8.735 7.913 0.822 18393 5713 1 15 . 1 1 47 47 GLY N N 61 112.366 112.366 116.321 -3.955 18393 5714 1 15 . 1 1 47 47 GLY C C 61 171.844 171.844 173.680 -1.836 18393 5715 1 15 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.197 0.086 18393 5716 1 15 . 1 1 47 47 GLY H H 61 8.610 8.610 8.739 -0.129 18393 5717 1 15 . 1 1 48 48 GLU N N 62 115.030 115.030 120.048 -5.018 18393 5718 1 15 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.650 -0.105 18393 5719 1 15 . 1 1 48 48 GLU C C 62 174.927 174.927 174.626 0.301 18393 5720 1 15 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.034 -0.152 18393 5721 1 15 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.019 0.330 18393 5722 1 15 . 1 1 48 48 GLU H H 62 8.214 8.214 8.051 0.163 18393 5723 1 15 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.576 0.288 18393 5724 1 15 . 1 1 49 49 PRO C C 63 178.286 178.286 176.275 2.011 18393 5725 1 15 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.799 -1.539 18393 5726 1 15 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.752 -0.485 18393 5727 1 15 . 1 1 50 50 MET N N 64 123.505 123.505 125.401 -1.896 18393 5728 1 15 . 1 1 50 50 MET HA H 64 5.530 5.530 5.005 0.525 18393 5729 1 15 . 1 1 50 50 MET C C 64 176.337 176.337 175.211 1.126 18393 5730 1 15 . 1 1 50 50 MET CA C 64 51.674 51.674 51.494 0.180 18393 5731 1 15 . 1 1 50 50 MET CB C 64 37.597 37.597 34.039 3.558 18393 5732 1 15 . 1 1 50 50 MET H H 64 9.267 9.267 8.787 0.480 18393 5733 1 15 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.603 0.483 18393 5734 1 15 . 1 1 51 51 PRO C C 65 174.862 174.862 175.835 -0.973 18393 5735 1 15 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.311 0.355 18393 5736 1 15 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.645 0.882 18393 5737 1 15 . 1 1 52 52 SER N N 66 109.598 109.598 112.664 -3.066 18393 5738 1 15 . 1 1 52 52 SER HA H 66 4.813 4.813 4.784 0.029 18393 5739 1 15 . 1 1 52 52 SER C C 66 173.368 173.368 174.170 -0.802 18393 5740 1 15 . 1 1 52 52 SER CA C 66 55.463 55.463 56.852 -1.389 18393 5741 1 15 . 1 1 52 52 SER CB C 66 66.775 66.775 66.831 -0.056 18393 5742 1 15 . 1 1 52 52 SER H H 66 7.165 7.165 7.624 -0.459 18393 5743 1 15 . 1 1 53 53 VAL N N 67 124.347 124.347 124.817 -0.470 18393 5744 1 15 . 1 1 53 53 VAL HA H 67 2.830 2.830 2.945 -0.115 18393 5745 1 15 . 1 1 53 53 VAL C C 67 177.116 177.116 177.290 -0.174 18393 5746 1 15 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.073 1.756 18393 5747 1 15 . 1 1 53 53 VAL CB C 67 31.324 31.324 30.857 0.467 18393 5748 1 15 . 1 1 53 53 VAL H H 67 8.522 8.522 8.381 0.141 18393 5749 1 15 . 1 1 54 54 LYS N N 68 118.639 118.639 119.566 -0.927 18393 5750 1 15 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.023 -0.554 18393 5751 1 15 . 1 1 54 54 LYS C C 68 178.286 178.286 178.389 -0.103 18393 5752 1 15 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.440 0.910 18393 5753 1 15 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.930 0.434 18393 5754 1 15 . 1 1 54 54 LYS H H 68 8.098 8.098 8.342 -0.244 18393 5755 1 15 . 1 1 55 55 LYS N N 69 115.388 115.388 117.455 -2.067 18393 5756 1 15 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.304 -0.210 18393 5757 1 15 . 1 1 55 55 LYS C C 69 179.694 179.694 178.179 1.515 18393 5758 1 15 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.301 0.527 18393 5759 1 15 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.143 0.696 18393 5760 1 15 . 1 1 55 55 LYS H H 69 7.499 7.499 8.060 -0.561 18393 5761 1 15 . 1 1 56 56 ALA N N 70 124.226 124.226 124.587 -0.361 18393 5762 1 15 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.127 0.022 18393 5763 1 15 . 1 1 56 56 ALA C C 70 181.217 181.217 179.173 2.044 18393 5764 1 15 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.356 0.360 18393 5765 1 15 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.584 1.926 18393 5766 1 15 . 1 1 56 56 ALA H H 70 8.296 8.296 7.991 0.305 18393 5767 1 15 . 1 1 57 57 LYS N N 71 120.522 120.522 117.964 2.558 18393 5768 1 15 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.065 -0.422 18393 5769 1 15 . 1 1 57 57 LYS C C 71 177.937 177.937 178.466 -0.529 18393 5770 1 15 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.653 1.434 18393 5771 1 15 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.599 0.529 18393 5772 1 15 . 1 1 57 57 LYS H H 71 8.385 8.385 7.446 0.939 18393 5773 1 15 . 1 1 58 58 ASP N N 72 119.428 119.428 120.771 -1.343 18393 5774 1 15 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.397 -0.091 18393 5775 1 15 . 1 1 58 58 ASP C C 72 177.042 177.042 178.740 -1.698 18393 5776 1 15 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.474 0.666 18393 5777 1 15 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.348 -0.223 18393 5778 1 15 . 1 1 58 58 ASP H H 72 8.029 8.029 7.783 0.246 18393 5779 1 15 . 1 1 59 59 SER N N 73 111.435 111.435 115.802 -4.367 18393 5780 1 15 . 1 1 59 59 SER HA H 73 4.243 4.243 4.125 0.118 18393 5781 1 15 . 1 1 59 59 SER C C 73 177.000 177.000 176.301 0.699 18393 5782 1 15 . 1 1 59 59 SER CA C 73 63.579 63.579 61.353 2.226 18393 5783 1 15 . 1 1 59 59 SER CB C 73 60.947 60.947 63.015 -2.068 18393 5784 1 15 . 1 1 59 59 SER H H 73 7.785 7.785 8.086 -0.301 18393 5785 1 15 . 1 1 60 60 ALA N N 74 120.363 120.363 123.483 -3.120 18393 5786 1 15 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.013 -0.050 18393 5787 1 15 . 1 1 60 60 ALA C C 74 178.170 178.170 179.425 -1.255 18393 5788 1 15 . 1 1 60 60 ALA CA C 74 55.498 55.498 55.011 0.487 18393 5789 1 15 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.414 -0.503 18393 5790 1 15 . 1 1 60 60 ALA H H 74 7.472 7.472 7.715 -0.243 18393 5791 1 15 . 1 1 61 61 ALA N N 75 118.116 118.116 121.592 -3.476 18393 5792 1 15 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.076 -0.128 18393 5793 1 15 . 1 1 61 61 ALA C C 75 179.341 179.341 179.535 -0.194 18393 5794 1 15 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.284 0.376 18393 5795 1 15 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.662 0.280 18393 5796 1 15 . 1 1 61 61 ALA H H 75 8.653 8.653 8.517 0.136 18393 5797 1 15 . 1 1 62 62 VAL N N 76 115.858 115.858 118.027 -2.169 18393 5798 1 15 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.736 -0.080 18393 5799 1 15 . 1 1 62 62 VAL C C 76 178.051 178.051 177.847 0.204 18393 5800 1 15 . 1 1 62 62 VAL CA C 76 66.651 66.651 67.241 -0.590 18393 5801 1 15 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.672 0.175 18393 5802 1 15 . 1 1 62 62 VAL H H 76 8.124 8.124 7.879 0.245 18393 5803 1 15 . 1 1 63 63 LEU N N 77 119.881 119.881 118.945 0.936 18393 5804 1 15 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.058 0.131 18393 5805 1 15 . 1 1 63 63 LEU C C 77 179.692 179.692 178.908 0.784 18393 5806 1 15 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.272 0.312 18393 5807 1 15 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.640 0.276 18393 5808 1 15 . 1 1 63 63 LEU H H 77 7.038 7.038 7.418 -0.380 18393 5809 1 15 . 1 1 64 64 LEU N N 78 122.083 122.083 121.850 0.233 18393 5810 1 15 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.131 0.397 18393 5811 1 15 . 1 1 64 64 LEU C C 78 178.601 178.601 178.575 0.026 18393 5812 1 15 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.836 -0.378 18393 5813 1 15 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.906 -0.652 18393 5814 1 15 . 1 1 64 64 LEU H H 78 7.694 7.694 8.114 -0.420 18393 5815 1 15 . 1 1 65 65 LEU N N 79 120.548 120.548 118.777 1.771 18393 5816 1 15 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.017 -0.153 18393 5817 1 15 . 1 1 65 65 LEU C C 79 178.861 178.861 179.127 -0.266 18393 5818 1 15 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.194 0.283 18393 5819 1 15 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.246 0.372 18393 5820 1 15 . 1 1 65 65 LEU H H 79 8.671 8.671 8.525 0.146 18393 5821 1 15 . 1 1 66 66 GLU N N 80 117.398 117.398 117.695 -0.297 18393 5822 1 15 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.078 -0.019 18393 5823 1 15 . 1 1 66 66 GLU C C 80 178.957 178.957 178.033 0.924 18393 5824 1 15 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.788 0.548 18393 5825 1 15 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.493 -0.112 18393 5826 1 15 . 1 1 66 66 GLU H H 80 7.613 7.613 7.537 0.076 18393 5827 1 15 . 1 1 67 67 LEU N N 81 120.633 120.633 119.798 0.835 18393 5828 1 15 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.186 -0.026 18393 5829 1 15 . 1 1 67 67 LEU C C 81 180.162 180.162 179.123 1.039 18393 5830 1 15 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.049 1.064 18393 5831 1 15 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.085 -0.028 18393 5832 1 15 . 1 1 67 67 LEU H H 81 7.656 7.656 7.231 0.425 18393 5833 1 15 . 1 1 68 68 LEU N N 82 118.949 118.949 117.607 1.342 18393 5834 1 15 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.204 -0.041 18393 5835 1 15 . 1 1 68 68 LEU C C 82 178.289 178.289 178.435 -0.146 18393 5836 1 15 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.243 0.612 18393 5837 1 15 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.068 0.950 18393 5838 1 15 . 1 1 68 68 LEU H H 82 8.583 8.583 8.539 0.044 18393 5839 1 15 . 1 1 69 69 ASN N N 83 116.570 116.570 115.974 0.596 18393 5840 1 15 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.688 0.041 18393 5841 1 15 . 1 1 69 69 ASN C C 83 174.784 174.784 175.505 -0.721 18393 5842 1 15 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.949 -0.210 18393 5843 1 15 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.895 0.253 18393 5844 1 15 . 1 1 69 69 ASN H H 83 7.920 7.920 7.769 0.151 18393 5845 1 15 . 1 1 70 70 LYS N N 84 120.363 120.363 119.943 0.420 18393 5846 1 15 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.491 -0.087 18393 5847 1 15 . 1 1 70 70 LYS C C 84 175.910 175.910 174.978 0.932 18393 5848 1 15 . 1 1 70 70 LYS CA C 84 56.836 56.836 56.071 0.765 18393 5849 1 15 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.556 0.443 18393 5850 1 15 . 1 1 70 70 LYS H H 84 7.593 7.593 7.716 -0.123 18393 5851 1 16 . 1 1 2 2 ASP N N 16 119.381 119.381 121.218 -1.837 18393 5852 1 16 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.368 -0.028 18393 5853 1 16 . 1 1 2 2 ASP C C 16 178.935 178.935 177.974 0.961 18393 5854 1 16 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.530 0.178 18393 5855 1 16 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.894 -0.213 18393 5856 1 16 . 1 1 2 2 ASP H H 16 8.320 8.320 8.546 -0.226 18393 5857 1 16 . 1 1 3 3 ILE N N 17 121.475 121.475 120.095 1.380 18393 5858 1 16 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.822 -0.276 18393 5859 1 16 . 1 1 3 3 ILE C C 17 177.116 177.116 178.071 -0.955 18393 5860 1 16 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.083 1.150 18393 5861 1 16 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.544 0.157 18393 5862 1 16 . 1 1 3 3 ILE H H 17 7.793 7.793 8.189 -0.396 18393 5863 1 16 . 1 1 4 4 CYS N N 18 117.506 117.506 118.514 -1.008 18393 5864 1 16 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.235 -0.293 18393 5865 1 16 . 1 1 4 4 CYS C C 18 176.671 176.671 176.900 -0.229 18393 5866 1 16 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.260 2.364 18393 5867 1 16 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.732 -0.767 18393 5868 1 16 . 1 1 4 4 CYS H H 18 7.823 7.823 7.470 0.353 18393 5869 1 16 . 1 1 5 5 LEU N N 19 118.832 118.832 123.221 -4.389 18393 5870 1 16 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.121 -0.025 18393 5871 1 16 . 1 1 5 5 LEU C C 19 180.698 180.698 179.275 1.423 18393 5872 1 16 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.896 0.041 18393 5873 1 16 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.833 0.233 18393 5874 1 16 . 1 1 5 5 LEU H H 19 8.101 8.101 8.303 -0.202 18393 5875 1 16 . 1 1 6 6 ARG N N 20 119.443 119.443 119.630 -0.187 18393 5876 1 16 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.934 -0.000 18393 5877 1 16 . 1 1 6 6 ARG C C 20 178.169 178.169 177.801 0.368 18393 5878 1 16 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.748 0.127 18393 5879 1 16 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.038 -0.058 18393 5880 1 16 . 1 1 6 6 ARG H H 20 7.934 7.934 8.478 -0.544 18393 5881 1 16 . 1 1 7 7 LYS N N 21 116.636 116.636 116.365 0.271 18393 5882 1 16 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.881 -0.108 18393 5883 1 16 . 1 1 7 7 LYS C C 21 175.224 175.224 175.445 -0.221 18393 5884 1 16 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.388 -0.310 18393 5885 1 16 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.988 -0.471 18393 5886 1 16 . 1 1 7 7 LYS H H 21 7.553 7.553 7.344 0.209 18393 5887 1 16 . 1 1 8 8 ASN N N 22 114.898 114.898 112.731 2.167 18393 5888 1 16 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.424 -0.122 18393 5889 1 16 . 1 1 8 8 ASN C C 22 174.073 174.073 174.716 -0.643 18393 5890 1 16 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.624 -0.191 18393 5891 1 16 . 1 1 8 8 ASN CB C 22 37.017 37.017 36.864 0.153 18393 5892 1 16 . 1 1 8 8 ASN H H 22 7.640 7.640 7.746 -0.106 18393 5893 1 16 . 1 1 9 9 TRP N N 23 120.563 120.563 120.189 0.374 18393 5894 1 16 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.154 0.087 18393 5895 1 16 . 1 1 9 9 TRP C C 23 173.601 173.601 174.854 -1.253 18393 5896 1 16 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.329 -2.509 18393 5897 1 16 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.708 0.866 18393 5898 1 16 . 1 1 9 9 TRP H H 23 8.692 8.692 7.759 0.933 18393 5899 1 16 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.502 -0.043 18393 5900 1 16 . 1 1 10 10 PRO C C 24 175.391 175.391 176.641 -1.250 18393 5901 1 16 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.298 -0.200 18393 5902 1 16 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.529 -0.946 18393 5903 1 16 . 1 1 11 11 MET N N 25 116.562 116.562 118.669 -2.107 18393 5904 1 16 . 1 1 11 11 MET HA H 25 4.751 4.751 4.568 0.183 18393 5905 1 16 . 1 1 11 11 MET C C 25 175.240 175.240 175.436 -0.196 18393 5906 1 16 . 1 1 11 11 MET CA C 25 53.800 53.800 53.483 0.317 18393 5907 1 16 . 1 1 11 11 MET CB C 25 30.695 30.695 30.820 -0.125 18393 5908 1 16 . 1 1 11 11 MET H H 25 8.201 8.201 8.377 -0.176 18393 5909 1 16 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.670 -0.346 18393 5910 1 16 . 1 1 12 12 PRO C C 26 174.890 174.890 176.095 -1.205 18393 5911 1 16 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.705 0.776 18393 5912 1 16 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.667 0.058 18393 5913 1 16 . 1 1 13 13 SER N N 27 116.608 116.608 115.303 1.305 18393 5914 1 16 . 1 1 13 13 SER HA H 27 4.781 4.781 4.757 0.024 18393 5915 1 16 . 1 1 13 13 SER C C 27 173.365 173.365 173.544 -0.179 18393 5916 1 16 . 1 1 13 13 SER CA C 27 57.219 57.219 58.166 -0.947 18393 5917 1 16 . 1 1 13 13 SER CB C 27 64.227 64.227 64.100 0.126 18393 5918 1 16 . 1 1 13 13 SER H H 27 8.555 8.555 8.697 -0.142 18393 5919 1 16 . 1 1 14 14 TYR N N 28 125.256 125.256 123.818 1.438 18393 5920 1 16 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.111 0.510 18393 5921 1 16 . 1 1 14 14 TYR C C 28 176.175 176.175 175.073 1.102 18393 5922 1 16 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.905 -0.342 18393 5923 1 16 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.871 0.990 18393 5924 1 16 . 1 1 14 14 TYR H H 28 8.939 8.939 8.665 0.274 18393 5925 1 16 . 1 1 15 15 ARG N N 29 120.540 120.540 124.371 -3.831 18393 5926 1 16 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.746 -0.204 18393 5927 1 16 . 1 1 15 15 ARG C C 29 173.134 173.134 175.355 -2.221 18393 5928 1 16 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.098 -0.278 18393 5929 1 16 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.337 0.384 18393 5930 1 16 . 1 1 15 15 ARG H H 29 9.159 9.159 9.109 0.050 18393 5931 1 16 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.482 -1.585 18393 5932 1 16 . 1 1 16 16 CYS C C 30 174.180 174.180 175.141 -0.961 18393 5933 1 16 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.701 -1.982 18393 5934 1 16 . 1 1 16 16 CYS CB C 30 26.106 26.106 27.668 -1.562 18393 5935 1 16 . 1 1 17 17 VAL N N 31 132.259 132.259 126.577 5.682 18393 5936 1 16 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.074 -0.423 18393 5937 1 16 . 1 1 17 17 VAL C C 31 175.711 175.711 175.727 -0.016 18393 5938 1 16 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.215 -0.129 18393 5939 1 16 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.234 0.278 18393 5940 1 16 . 1 1 17 17 VAL H H 31 8.659 8.659 8.749 -0.090 18393 5941 1 16 . 1 1 18 18 LYS N N 32 118.630 118.630 120.684 -2.054 18393 5942 1 16 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.573 -0.213 18393 5943 1 16 . 1 1 18 18 LYS C C 32 173.015 173.015 174.214 -1.199 18393 5944 1 16 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.622 0.780 18393 5945 1 16 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.906 1.098 18393 5946 1 16 . 1 1 18 18 LYS H H 32 7.673 7.673 8.303 -0.630 18393 5947 1 16 . 1 1 19 19 GLU N N 33 125.800 125.800 126.294 -0.494 18393 5948 1 16 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.702 0.151 18393 5949 1 16 . 1 1 19 19 GLU C C 33 175.060 175.060 176.524 -1.464 18393 5950 1 16 . 1 1 19 19 GLU CA C 33 54.564 54.564 56.191 -1.627 18393 5951 1 16 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.758 -0.621 18393 5952 1 16 . 1 1 19 19 GLU H H 33 8.431 8.431 8.754 -0.323 18393 5953 1 16 . 1 1 20 20 GLY N N 34 111.079 111.079 115.424 -4.345 18393 5954 1 16 . 1 1 20 20 GLY C C 34 172.318 172.318 174.174 -1.856 18393 5955 1 16 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.399 -0.758 18393 5956 1 16 . 1 1 20 20 GLY H H 34 8.345 8.345 9.042 -0.697 18393 5957 1 16 . 1 1 21 21 GLY N N 35 107.395 107.395 110.157 -2.762 18393 5958 1 16 . 1 1 21 21 GLY C C 35 171.757 171.757 173.394 -1.637 18393 5959 1 16 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.890 -1.153 18393 5960 1 16 . 1 1 21 21 GLY H H 35 8.184 8.184 7.818 0.366 18393 5961 1 16 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.207 0.269 18393 5962 1 16 . 1 1 22 22 PRO C C 36 177.171 177.171 176.339 0.832 18393 5963 1 16 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.961 -2.698 18393 5964 1 16 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.861 0.400 18393 5965 1 16 . 1 1 23 23 ALA N N 37 120.595 120.595 116.679 3.916 18393 5966 1 16 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.212 -0.389 18393 5967 1 16 . 1 1 23 23 ALA C C 37 178.547 178.547 176.594 1.953 18393 5968 1 16 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.248 3.245 18393 5969 1 16 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.456 0.095 18393 5970 1 16 . 1 1 23 23 ALA H H 37 8.580 8.580 7.648 0.932 18393 5971 1 16 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.547 0.068 18393 5972 1 16 . 1 1 24 24 HIS C C 38 174.890 174.890 174.947 -0.057 18393 5973 1 16 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.299 -0.438 18393 5974 1 16 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.409 0.951 18393 5975 1 16 . 1 1 25 25 ALA N N 39 128.271 128.271 123.034 5.237 18393 5976 1 16 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.545 -0.071 18393 5977 1 16 . 1 1 25 25 ALA C C 39 174.351 174.351 176.121 -1.770 18393 5978 1 16 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.557 -0.241 18393 5979 1 16 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.494 -1.383 18393 5980 1 16 . 1 1 25 25 ALA H H 39 7.697 7.697 7.716 -0.019 18393 5981 1 16 . 1 1 26 26 LYS N N 40 121.927 121.927 119.190 2.737 18393 5982 1 16 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.327 -0.209 18393 5983 1 16 . 1 1 26 26 LYS C C 40 177.551 177.551 175.349 2.202 18393 5984 1 16 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.842 1.302 18393 5985 1 16 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.307 0.765 18393 5986 1 16 . 1 1 26 26 LYS H H 40 7.990 7.990 8.402 -0.412 18393 5987 1 16 . 1 1 27 27 ARG N N 41 119.572 119.572 119.156 0.416 18393 5988 1 16 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.001 0.637 18393 5989 1 16 . 1 1 27 27 ARG C C 41 174.770 174.770 175.510 -0.740 18393 5990 1 16 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.764 -2.287 18393 5991 1 16 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.697 2.693 18393 5992 1 16 . 1 1 27 27 ARG H H 41 8.296 8.296 7.609 0.687 18393 5993 1 16 . 1 1 28 28 PHE N N 42 120.381 120.381 124.254 -3.873 18393 5994 1 16 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.139 -0.092 18393 5995 1 16 . 1 1 28 28 PHE C C 42 174.407 174.407 175.911 -1.504 18393 5996 1 16 . 1 1 28 28 PHE CA C 42 57.026 57.026 54.746 2.280 18393 5997 1 16 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.625 2.504 18393 5998 1 16 . 1 1 28 28 PHE H H 42 9.339 9.339 8.930 0.409 18393 5999 1 16 . 1 1 29 29 THR N N 43 117.999 117.999 119.948 -1.949 18393 6000 1 16 . 1 1 29 29 THR HA H 43 4.704 4.704 4.788 -0.084 18393 6001 1 16 . 1 1 29 29 THR C C 43 173.713 173.713 172.833 0.880 18393 6002 1 16 . 1 1 29 29 THR CA C 43 62.117 62.117 61.944 0.173 18393 6003 1 16 . 1 1 29 29 THR CB C 43 70.104 70.104 70.070 0.034 18393 6004 1 16 . 1 1 29 29 THR H H 43 8.949 8.949 9.137 -0.188 18393 6005 1 16 . 1 1 30 30 PHE N N 44 129.592 129.592 127.465 2.127 18393 6006 1 16 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.037 0.358 18393 6007 1 16 . 1 1 30 30 PHE C C 44 173.221 173.221 172.855 0.366 18393 6008 1 16 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.830 0.593 18393 6009 1 16 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.710 1.207 18393 6010 1 16 . 1 1 30 30 PHE H H 44 10.048 10.048 8.890 1.158 18393 6011 1 16 . 1 1 31 31 GLY N N 45 105.921 105.921 109.375 -3.454 18393 6012 1 16 . 1 1 31 31 GLY C C 45 172.774 172.774 171.708 1.066 18393 6013 1 16 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.401 0.137 18393 6014 1 16 . 1 1 31 31 GLY H H 45 9.290 9.290 7.763 1.527 18393 6015 1 16 . 1 1 32 32 VAL N N 46 121.311 121.311 120.901 0.410 18393 6016 1 16 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.696 0.654 18393 6017 1 16 . 1 1 32 32 VAL C C 46 171.140 171.140 174.779 -3.639 18393 6018 1 16 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.612 -0.780 18393 6019 1 16 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.230 2.156 18393 6020 1 16 . 1 1 32 32 VAL H H 46 8.906 8.906 7.797 1.109 18393 6021 1 16 . 1 1 33 33 ARG N N 47 122.102 122.102 120.543 1.559 18393 6022 1 16 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.196 -0.625 18393 6023 1 16 . 1 1 33 33 ARG C C 47 173.683 173.683 174.682 -0.999 18393 6024 1 16 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.335 0.623 18393 6025 1 16 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.688 2.028 18393 6026 1 16 . 1 1 33 33 ARG H H 47 8.008 8.008 7.913 0.095 18393 6027 1 16 . 1 1 34 34 VAL N N 48 117.391 117.391 120.631 -3.240 18393 6028 1 16 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.541 0.246 18393 6029 1 16 . 1 1 34 34 VAL C C 48 172.777 172.777 173.662 -0.885 18393 6030 1 16 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.442 -0.472 18393 6031 1 16 . 1 1 34 34 VAL CB C 48 36.312 36.312 35.673 0.639 18393 6032 1 16 . 1 1 34 34 VAL H H 48 8.103 8.103 9.103 -1.000 18393 6033 1 16 . 1 1 35 35 ASN N N 49 127.065 127.065 122.470 4.595 18393 6034 1 16 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.447 -0.911 18393 6035 1 16 . 1 1 35 35 ASN C C 49 174.221 174.221 174.146 0.075 18393 6036 1 16 . 1 1 35 35 ASN CA C 49 50.607 50.607 50.969 -0.363 18393 6037 1 16 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.611 -2.869 18393 6038 1 16 . 1 1 35 35 ASN H H 49 8.543 8.543 8.732 -0.189 18393 6039 1 16 . 1 1 36 36 THR N N 50 114.402 114.402 115.257 -0.855 18393 6040 1 16 . 1 1 36 36 THR HA H 50 2.159 2.159 2.657 -0.498 18393 6041 1 16 . 1 1 36 36 THR C C 50 175.168 175.168 175.241 -0.073 18393 6042 1 16 . 1 1 36 36 THR CA C 50 61.126 61.126 61.164 -0.038 18393 6043 1 16 . 1 1 36 36 THR CB C 50 69.987 69.987 68.885 1.102 18393 6044 1 16 . 1 1 36 36 THR H H 50 6.801 6.801 7.768 -0.967 18393 6045 1 16 . 1 1 37 37 SER N N 51 114.587 114.587 120.725 -6.138 18393 6046 1 16 . 1 1 37 37 SER HA H 51 4.105 4.105 4.016 0.089 18393 6047 1 16 . 1 1 37 37 SER C C 51 174.760 174.760 175.062 -0.302 18393 6048 1 16 . 1 1 37 37 SER CA C 51 59.958 59.958 61.367 -1.409 18393 6049 1 16 . 1 1 37 37 SER CB C 51 63.115 63.115 63.118 -0.003 18393 6050 1 16 . 1 1 37 37 SER H H 51 6.797 6.797 8.406 -1.609 18393 6051 1 16 . 1 1 38 38 ASP N N 52 117.329 117.329 120.482 -3.153 18393 6052 1 16 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.529 0.060 18393 6053 1 16 . 1 1 38 38 ASP C C 52 177.236 177.236 176.469 0.767 18393 6054 1 16 . 1 1 38 38 ASP CA C 52 54.550 54.550 56.588 -2.038 18393 6055 1 16 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.715 -0.110 18393 6056 1 16 . 1 1 38 38 ASP H H 52 8.784 8.784 8.423 0.361 18393 6057 1 16 . 1 1 39 39 ARG N N 53 118.330 118.330 115.941 2.389 18393 6058 1 16 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.488 0.008 18393 6059 1 16 . 1 1 39 39 ARG C C 53 176.062 176.062 176.351 -0.289 18393 6060 1 16 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.685 -0.635 18393 6061 1 16 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.033 -1.592 18393 6062 1 16 . 1 1 39 39 ARG H H 53 7.666 7.666 7.640 0.026 18393 6063 1 16 . 1 1 40 40 GLY N N 54 110.510 110.510 107.127 3.383 18393 6064 1 16 . 1 1 40 40 GLY C C 54 177.680 177.680 172.613 5.067 18393 6065 1 16 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.099 0.578 18393 6066 1 16 . 1 1 40 40 GLY H H 54 7.248 7.248 7.640 -0.392 18393 6067 1 16 . 1 1 41 41 TRP N N 55 123.328 123.328 123.593 -0.265 18393 6068 1 16 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.779 0.140 18393 6069 1 16 . 1 1 41 41 TRP C C 55 178.873 178.873 177.470 1.403 18393 6070 1 16 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.210 0.907 18393 6071 1 16 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.408 0.366 18393 6072 1 16 . 1 1 41 41 TRP H H 55 8.289 8.289 8.247 0.042 18393 6073 1 16 . 1 1 42 42 THR N N 56 114.627 114.627 118.405 -3.778 18393 6074 1 16 . 1 1 42 42 THR HA H 56 4.329 4.329 4.257 0.072 18393 6075 1 16 . 1 1 42 42 THR C C 56 175.261 175.261 174.667 0.594 18393 6076 1 16 . 1 1 42 42 THR CA C 56 61.698 61.698 61.534 0.164 18393 6077 1 16 . 1 1 42 42 THR CB C 56 72.359 72.359 69.757 2.602 18393 6078 1 16 . 1 1 42 42 THR H H 56 8.972 8.972 8.521 0.451 18393 6079 1 16 . 1 1 43 43 ASP N N 57 120.151 120.151 121.556 -1.405 18393 6080 1 16 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.442 0.003 18393 6081 1 16 . 1 1 43 43 ASP C C 57 175.710 175.710 176.306 -0.596 18393 6082 1 16 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.952 0.425 18393 6083 1 16 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.198 -0.326 18393 6084 1 16 . 1 1 43 43 ASP H H 57 8.379 8.379 8.377 0.002 18393 6085 1 16 . 1 1 44 44 GLU N N 58 122.449 122.449 124.149 -1.700 18393 6086 1 16 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.431 0.034 18393 6087 1 16 . 1 1 44 44 GLU C C 58 176.412 176.412 176.795 -0.383 18393 6088 1 16 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.885 -1.414 18393 6089 1 16 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.865 1.193 18393 6090 1 16 . 1 1 44 44 GLU H H 58 8.581 8.581 8.614 -0.033 18393 6091 1 16 . 1 1 45 45 CYS N N 59 126.725 126.725 127.980 -1.255 18393 6092 1 16 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.467 0.228 18393 6093 1 16 . 1 1 45 45 CYS C C 59 173.364 173.364 174.186 -0.822 18393 6094 1 16 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.664 1.256 18393 6095 1 16 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.908 3.776 18393 6096 1 16 . 1 1 45 45 CYS H H 59 8.671 8.671 8.830 -0.159 18393 6097 1 16 . 1 1 46 46 ILE N N 60 126.614 126.614 126.749 -0.135 18393 6098 1 16 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.198 0.495 18393 6099 1 16 . 1 1 46 46 ILE C C 60 176.175 176.175 176.750 -0.575 18393 6100 1 16 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.479 0.297 18393 6101 1 16 . 1 1 46 46 ILE CB C 60 38.346 38.346 36.909 1.437 18393 6102 1 16 . 1 1 46 46 ILE H H 60 8.735 8.735 7.850 0.885 18393 6103 1 16 . 1 1 47 47 GLY N N 61 112.366 112.366 116.975 -4.609 18393 6104 1 16 . 1 1 47 47 GLY C C 61 171.844 171.844 173.627 -1.783 18393 6105 1 16 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.260 0.023 18393 6106 1 16 . 1 1 47 47 GLY H H 61 8.610 8.610 8.850 -0.240 18393 6107 1 16 . 1 1 48 48 GLU N N 62 115.030 115.030 120.110 -5.080 18393 6108 1 16 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.688 -0.143 18393 6109 1 16 . 1 1 48 48 GLU C C 62 174.927 174.927 174.572 0.355 18393 6110 1 16 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.886 -0.004 18393 6111 1 16 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.224 0.125 18393 6112 1 16 . 1 1 48 48 GLU H H 62 8.214 8.214 8.003 0.211 18393 6113 1 16 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.369 0.495 18393 6114 1 16 . 1 1 49 49 PRO C C 63 178.286 178.286 176.131 2.155 18393 6115 1 16 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.824 -1.564 18393 6116 1 16 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.739 -0.472 18393 6117 1 16 . 1 1 50 50 MET N N 64 123.505 123.505 125.066 -1.561 18393 6118 1 16 . 1 1 50 50 MET HA H 64 5.530 5.530 4.887 0.643 18393 6119 1 16 . 1 1 50 50 MET C C 64 176.337 176.337 175.103 1.234 18393 6120 1 16 . 1 1 50 50 MET CA C 64 51.674 51.674 51.382 0.292 18393 6121 1 16 . 1 1 50 50 MET CB C 64 37.597 37.597 34.251 3.346 18393 6122 1 16 . 1 1 50 50 MET H H 64 9.267 9.267 8.836 0.431 18393 6123 1 16 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.287 0.799 18393 6124 1 16 . 1 1 51 51 PRO C C 65 174.862 174.862 175.582 -0.720 18393 6125 1 16 . 1 1 51 51 PRO CA C 65 63.666 63.666 62.842 0.824 18393 6126 1 16 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.725 0.802 18393 6127 1 16 . 1 1 52 52 SER N N 66 109.598 109.598 111.937 -2.339 18393 6128 1 16 . 1 1 52 52 SER HA H 66 4.813 4.813 5.002 -0.189 18393 6129 1 16 . 1 1 52 52 SER C C 66 173.368 173.368 174.765 -1.397 18393 6130 1 16 . 1 1 52 52 SER CA C 66 55.463 55.463 57.519 -2.055 18393 6131 1 16 . 1 1 52 52 SER CB C 66 66.775 66.775 67.277 -0.502 18393 6132 1 16 . 1 1 52 52 SER H H 66 7.165 7.165 7.403 -0.238 18393 6133 1 16 . 1 1 53 53 VAL N N 67 124.347 124.347 123.692 0.655 18393 6134 1 16 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.997 -1.167 18393 6135 1 16 . 1 1 53 53 VAL C C 67 177.116 177.116 176.957 0.159 18393 6136 1 16 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.227 1.603 18393 6137 1 16 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.586 -0.262 18393 6138 1 16 . 1 1 53 53 VAL H H 67 8.522 8.522 8.985 -0.463 18393 6139 1 16 . 1 1 54 54 LYS N N 68 118.639 118.639 120.148 -1.509 18393 6140 1 16 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.058 -0.589 18393 6141 1 16 . 1 1 54 54 LYS C C 68 178.286 178.286 178.562 -0.276 18393 6142 1 16 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.838 0.512 18393 6143 1 16 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.921 0.443 18393 6144 1 16 . 1 1 54 54 LYS H H 68 8.098 8.098 8.578 -0.480 18393 6145 1 16 . 1 1 55 55 LYS N N 69 115.388 115.388 118.551 -3.163 18393 6146 1 16 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.311 -0.217 18393 6147 1 16 . 1 1 55 55 LYS C C 69 179.694 179.694 178.502 1.192 18393 6148 1 16 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.340 0.488 18393 6149 1 16 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.012 0.827 18393 6150 1 16 . 1 1 55 55 LYS H H 69 7.499 7.499 7.625 -0.126 18393 6151 1 16 . 1 1 56 56 ALA N N 70 124.226 124.226 124.910 -0.684 18393 6152 1 16 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.178 -0.029 18393 6153 1 16 . 1 1 56 56 ALA C C 70 181.217 181.217 179.450 1.767 18393 6154 1 16 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.317 0.399 18393 6155 1 16 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.539 1.971 18393 6156 1 16 . 1 1 56 56 ALA H H 70 8.296 8.296 8.089 0.207 18393 6157 1 16 . 1 1 57 57 LYS N N 71 120.522 120.522 117.901 2.621 18393 6158 1 16 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.165 -0.522 18393 6159 1 16 . 1 1 57 57 LYS C C 71 177.937 177.937 178.867 -0.930 18393 6160 1 16 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.087 1.000 18393 6161 1 16 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.009 0.119 18393 6162 1 16 . 1 1 57 57 LYS H H 71 8.385 8.385 7.571 0.814 18393 6163 1 16 . 1 1 58 58 ASP N N 72 119.428 119.428 119.189 0.239 18393 6164 1 16 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.407 -0.101 18393 6165 1 16 . 1 1 58 58 ASP C C 72 177.042 177.042 178.579 -1.537 18393 6166 1 16 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.365 0.775 18393 6167 1 16 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.790 -0.665 18393 6168 1 16 . 1 1 58 58 ASP H H 72 8.029 8.029 7.920 0.109 18393 6169 1 16 . 1 1 59 59 SER N N 73 111.435 111.435 115.322 -3.887 18393 6170 1 16 . 1 1 59 59 SER HA H 73 4.243 4.243 4.106 0.137 18393 6171 1 16 . 1 1 59 59 SER C C 73 177.000 177.000 176.580 0.420 18393 6172 1 16 . 1 1 59 59 SER CA C 73 63.579 63.579 61.661 1.918 18393 6173 1 16 . 1 1 59 59 SER CB C 73 60.947 60.947 63.177 -2.230 18393 6174 1 16 . 1 1 59 59 SER H H 73 7.785 7.785 8.116 -0.331 18393 6175 1 16 . 1 1 60 60 ALA N N 74 120.363 120.363 123.222 -2.859 18393 6176 1 16 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.040 -0.077 18393 6177 1 16 . 1 1 60 60 ALA C C 74 178.170 178.170 179.441 -1.271 18393 6178 1 16 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.811 0.687 18393 6179 1 16 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.488 -0.577 18393 6180 1 16 . 1 1 60 60 ALA H H 74 7.472 7.472 7.758 -0.286 18393 6181 1 16 . 1 1 61 61 ALA N N 75 118.116 118.116 121.203 -3.087 18393 6182 1 16 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.127 -0.179 18393 6183 1 16 . 1 1 61 61 ALA C C 75 179.341 179.341 179.531 -0.190 18393 6184 1 16 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.044 0.616 18393 6185 1 16 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.585 0.356 18393 6186 1 16 . 1 1 61 61 ALA H H 75 8.653 8.653 8.432 0.221 18393 6187 1 16 . 1 1 62 62 VAL N N 76 115.858 115.858 117.921 -2.063 18393 6188 1 16 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.751 -0.095 18393 6189 1 16 . 1 1 62 62 VAL C C 76 178.051 178.051 177.660 0.391 18393 6190 1 16 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.844 -0.193 18393 6191 1 16 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.603 0.244 18393 6192 1 16 . 1 1 62 62 VAL H H 76 8.124 8.124 7.554 0.570 18393 6193 1 16 . 1 1 63 63 LEU N N 77 119.881 119.881 119.258 0.623 18393 6194 1 16 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.054 0.135 18393 6195 1 16 . 1 1 63 63 LEU C C 77 179.692 179.692 178.704 0.988 18393 6196 1 16 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.248 0.336 18393 6197 1 16 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.452 0.464 18393 6198 1 16 . 1 1 63 63 LEU H H 77 7.038 7.038 7.412 -0.374 18393 6199 1 16 . 1 1 64 64 LEU N N 78 122.083 122.083 120.633 1.450 18393 6200 1 16 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.044 0.484 18393 6201 1 16 . 1 1 64 64 LEU C C 78 178.601 178.601 179.282 -0.681 18393 6202 1 16 . 1 1 64 64 LEU CA C 78 57.458 57.458 58.017 -0.559 18393 6203 1 16 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.873 -0.619 18393 6204 1 16 . 1 1 64 64 LEU H H 78 7.694 7.694 7.805 -0.111 18393 6205 1 16 . 1 1 65 65 LEU N N 79 120.548 120.548 118.276 2.272 18393 6206 1 16 . 1 1 65 65 LEU HA H 79 3.864 3.864 3.936 -0.072 18393 6207 1 16 . 1 1 65 65 LEU C C 79 178.861 178.861 179.443 -0.582 18393 6208 1 16 . 1 1 65 65 LEU CA C 79 58.477 58.477 57.997 0.480 18393 6209 1 16 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.139 0.479 18393 6210 1 16 . 1 1 65 65 LEU H H 79 8.671 8.671 8.102 0.569 18393 6211 1 16 . 1 1 66 66 GLU N N 80 117.398 117.398 118.427 -1.029 18393 6212 1 16 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.059 -0.000 18393 6213 1 16 . 1 1 66 66 GLU C C 80 178.957 178.957 178.633 0.324 18393 6214 1 16 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.963 0.373 18393 6215 1 16 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.310 0.071 18393 6216 1 16 . 1 1 66 66 GLU H H 80 7.613 7.613 7.522 0.091 18393 6217 1 16 . 1 1 67 67 LEU N N 81 120.633 120.633 120.139 0.494 18393 6218 1 16 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.062 0.098 18393 6219 1 16 . 1 1 67 67 LEU C C 81 180.162 180.162 179.469 0.693 18393 6220 1 16 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.850 0.263 18393 6221 1 16 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.261 -0.204 18393 6222 1 16 . 1 1 67 67 LEU H H 81 7.656 7.656 7.551 0.105 18393 6223 1 16 . 1 1 68 68 LEU N N 82 118.949 118.949 119.912 -0.963 18393 6224 1 16 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.149 0.014 18393 6225 1 16 . 1 1 68 68 LEU C C 82 178.289 178.289 178.612 -0.323 18393 6226 1 16 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.861 -0.006 18393 6227 1 16 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.052 0.966 18393 6228 1 16 . 1 1 68 68 LEU H H 82 8.583 8.583 8.711 -0.128 18393 6229 1 16 . 1 1 69 69 ASN N N 83 116.570 116.570 116.349 0.221 18393 6230 1 16 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.619 0.110 18393 6231 1 16 . 1 1 69 69 ASN C C 83 174.784 174.784 175.526 -0.742 18393 6232 1 16 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.567 -0.828 18393 6233 1 16 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.711 0.437 18393 6234 1 16 . 1 1 69 69 ASN H H 83 7.920 7.920 8.067 -0.147 18393 6235 1 16 . 1 1 70 70 LYS N N 84 120.363 120.363 119.354 1.009 18393 6236 1 16 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.590 -0.186 18393 6237 1 16 . 1 1 70 70 LYS C C 84 175.910 175.910 175.506 0.404 18393 6238 1 16 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.351 1.485 18393 6239 1 16 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.745 0.254 18393 6240 1 16 . 1 1 70 70 LYS H H 84 7.593 7.593 7.635 -0.042 18393 6241 1 17 . 1 1 2 2 ASP N N 16 119.381 119.381 121.424 -2.043 18393 6242 1 17 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.433 -0.093 18393 6243 1 17 . 1 1 2 2 ASP C C 16 178.935 178.935 178.171 0.764 18393 6244 1 17 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.761 -0.053 18393 6245 1 17 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.731 -0.050 18393 6246 1 17 . 1 1 2 2 ASP H H 16 8.320 8.320 8.667 -0.347 18393 6247 1 17 . 1 1 3 3 ILE N N 17 121.475 121.475 120.568 0.907 18393 6248 1 17 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.913 -0.367 18393 6249 1 17 . 1 1 3 3 ILE C C 17 177.116 177.116 178.318 -1.202 18393 6250 1 17 . 1 1 3 3 ILE CA C 17 65.233 65.233 63.802 1.431 18393 6251 1 17 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.380 0.321 18393 6252 1 17 . 1 1 3 3 ILE H H 17 7.793 7.793 8.005 -0.212 18393 6253 1 17 . 1 1 4 4 CYS N N 18 117.506 117.506 118.641 -1.135 18393 6254 1 17 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.343 -0.401 18393 6255 1 17 . 1 1 4 4 CYS C C 18 176.671 176.671 177.008 -0.337 18393 6256 1 17 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.582 2.042 18393 6257 1 17 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.978 -1.013 18393 6258 1 17 . 1 1 4 4 CYS H H 18 7.823 7.823 8.018 -0.195 18393 6259 1 17 . 1 1 5 5 LEU N N 19 118.832 118.832 122.072 -3.240 18393 6260 1 17 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.289 -0.193 18393 6261 1 17 . 1 1 5 5 LEU C C 19 180.698 180.698 179.583 1.115 18393 6262 1 17 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.783 0.154 18393 6263 1 17 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.876 0.190 18393 6264 1 17 . 1 1 5 5 LEU H H 19 8.101 8.101 8.673 -0.572 18393 6265 1 17 . 1 1 6 6 ARG N N 20 119.443 119.443 120.426 -0.983 18393 6266 1 17 . 1 1 6 6 ARG HA H 20 3.934 3.934 4.008 -0.074 18393 6267 1 17 . 1 1 6 6 ARG C C 20 178.169 178.169 177.514 0.655 18393 6268 1 17 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.229 0.646 18393 6269 1 17 . 1 1 6 6 ARG CB C 20 29.980 29.980 29.855 0.125 18393 6270 1 17 . 1 1 6 6 ARG H H 20 7.934 7.934 8.213 -0.279 18393 6271 1 17 . 1 1 7 7 LYS N N 21 116.636 116.636 116.309 0.327 18393 6272 1 17 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.864 -0.091 18393 6273 1 17 . 1 1 7 7 LYS C C 21 175.224 175.224 175.875 -0.651 18393 6274 1 17 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.089 -0.011 18393 6275 1 17 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.586 -0.069 18393 6276 1 17 . 1 1 7 7 LYS H H 21 7.553 7.553 7.310 0.243 18393 6277 1 17 . 1 1 8 8 ASN N N 22 114.898 114.898 114.323 0.575 18393 6278 1 17 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.439 -0.137 18393 6279 1 17 . 1 1 8 8 ASN C C 22 174.073 174.073 174.597 -0.524 18393 6280 1 17 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.231 0.202 18393 6281 1 17 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.508 -0.491 18393 6282 1 17 . 1 1 8 8 ASN H H 22 7.640 7.640 7.688 -0.048 18393 6283 1 17 . 1 1 9 9 TRP N N 23 120.563 120.563 119.363 1.200 18393 6284 1 17 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.083 0.158 18393 6285 1 17 . 1 1 9 9 TRP C C 23 173.601 173.601 175.191 -1.590 18393 6286 1 17 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.480 -2.660 18393 6287 1 17 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.514 1.060 18393 6288 1 17 . 1 1 9 9 TRP H H 23 8.692 8.692 7.680 1.012 18393 6289 1 17 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.540 -0.081 18393 6290 1 17 . 1 1 10 10 PRO C C 24 175.391 175.391 176.333 -0.942 18393 6291 1 17 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.371 -0.273 18393 6292 1 17 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.755 -1.173 18393 6293 1 17 . 1 1 11 11 MET N N 25 116.562 116.562 117.467 -0.905 18393 6294 1 17 . 1 1 11 11 MET HA H 25 4.751 4.751 4.719 0.032 18393 6295 1 17 . 1 1 11 11 MET C C 25 175.240 175.240 174.997 0.243 18393 6296 1 17 . 1 1 11 11 MET CA C 25 53.800 53.800 53.343 0.457 18393 6297 1 17 . 1 1 11 11 MET CB C 25 30.695 30.695 30.765 -0.070 18393 6298 1 17 . 1 1 11 11 MET H H 25 8.201 8.201 8.450 -0.249 18393 6299 1 17 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.648 -0.324 18393 6300 1 17 . 1 1 12 12 PRO C C 26 174.890 174.890 176.020 -1.130 18393 6301 1 17 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.757 0.724 18393 6302 1 17 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.706 0.019 18393 6303 1 17 . 1 1 13 13 SER N N 27 116.608 116.608 115.459 1.149 18393 6304 1 17 . 1 1 13 13 SER HA H 27 4.781 4.781 4.732 0.049 18393 6305 1 17 . 1 1 13 13 SER C C 27 173.365 173.365 173.537 -0.172 18393 6306 1 17 . 1 1 13 13 SER CA C 27 57.219 57.219 58.392 -1.173 18393 6307 1 17 . 1 1 13 13 SER CB C 27 64.227 64.227 63.864 0.363 18393 6308 1 17 . 1 1 13 13 SER H H 27 8.555 8.555 8.576 -0.021 18393 6309 1 17 . 1 1 14 14 TYR N N 28 125.256 125.256 123.291 1.965 18393 6310 1 17 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.066 0.555 18393 6311 1 17 . 1 1 14 14 TYR C C 28 176.175 176.175 174.605 1.570 18393 6312 1 17 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.852 -0.289 18393 6313 1 17 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.863 0.998 18393 6314 1 17 . 1 1 14 14 TYR H H 28 8.939 8.939 8.667 0.272 18393 6315 1 17 . 1 1 15 15 ARG N N 29 120.540 120.540 126.070 -5.530 18393 6316 1 17 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.776 -0.234 18393 6317 1 17 . 1 1 15 15 ARG C C 29 173.134 173.134 174.768 -1.634 18393 6318 1 17 . 1 1 15 15 ARG CA C 29 54.820 54.820 54.948 -0.128 18393 6319 1 17 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.556 0.165 18393 6320 1 17 . 1 1 15 15 ARG H H 29 9.159 9.159 9.040 0.119 18393 6321 1 17 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.666 -1.769 18393 6322 1 17 . 1 1 16 16 CYS C C 30 174.180 174.180 175.768 -1.588 18393 6323 1 17 . 1 1 16 16 CYS CA C 30 58.719 58.719 59.039 -0.320 18393 6324 1 17 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.244 -2.138 18393 6325 1 17 . 1 1 17 17 VAL N N 31 132.259 132.259 121.377 10.882 18393 6326 1 17 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.125 -0.474 18393 6327 1 17 . 1 1 17 17 VAL C C 31 175.711 175.711 175.772 -0.061 18393 6328 1 17 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.680 0.406 18393 6329 1 17 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.014 0.498 18393 6330 1 17 . 1 1 17 17 VAL H H 31 8.659 8.659 8.535 0.124 18393 6331 1 17 . 1 1 18 18 LYS N N 32 118.630 118.630 121.568 -2.938 18393 6332 1 17 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.581 -0.221 18393 6333 1 17 . 1 1 18 18 LYS C C 32 173.015 173.015 174.277 -1.262 18393 6334 1 17 . 1 1 18 18 LYS CA C 32 56.402 56.402 56.110 0.292 18393 6335 1 17 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.089 0.915 18393 6336 1 17 . 1 1 18 18 LYS H H 32 7.673 7.673 8.171 -0.498 18393 6337 1 17 . 1 1 19 19 GLU N N 33 125.800 125.800 126.079 -0.279 18393 6338 1 17 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.750 0.103 18393 6339 1 17 . 1 1 19 19 GLU C C 33 175.060 175.060 175.989 -0.929 18393 6340 1 17 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.879 -1.315 18393 6341 1 17 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.691 -0.554 18393 6342 1 17 . 1 1 19 19 GLU H H 33 8.431 8.431 8.631 -0.200 18393 6343 1 17 . 1 1 20 20 GLY N N 34 111.079 111.079 114.560 -3.481 18393 6344 1 17 . 1 1 20 20 GLY C C 34 172.318 172.318 173.491 -1.173 18393 6345 1 17 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.175 -0.534 18393 6346 1 17 . 1 1 20 20 GLY H H 34 8.345 8.345 8.573 -0.228 18393 6347 1 17 . 1 1 21 21 GLY N N 35 107.395 107.395 110.005 -2.610 18393 6348 1 17 . 1 1 21 21 GLY C C 35 171.757 171.757 173.393 -1.636 18393 6349 1 17 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.803 -1.066 18393 6350 1 17 . 1 1 21 21 GLY H H 35 8.184 8.184 8.234 -0.050 18393 6351 1 17 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.348 0.128 18393 6352 1 17 . 1 1 22 22 PRO C C 36 177.171 177.171 176.172 0.999 18393 6353 1 17 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.448 -2.185 18393 6354 1 17 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.983 0.278 18393 6355 1 17 . 1 1 23 23 ALA N N 37 120.595 120.595 115.703 4.892 18393 6356 1 17 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.247 -0.424 18393 6357 1 17 . 1 1 23 23 ALA C C 37 178.547 178.547 176.682 1.865 18393 6358 1 17 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.590 2.904 18393 6359 1 17 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.685 -0.134 18393 6360 1 17 . 1 1 23 23 ALA H H 37 8.580 8.580 7.735 0.845 18393 6361 1 17 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.536 0.079 18393 6362 1 17 . 1 1 24 24 HIS C C 38 174.890 174.890 175.602 -0.712 18393 6363 1 17 . 1 1 24 24 HIS CA C 38 55.861 55.861 57.348 -1.487 18393 6364 1 17 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.943 0.417 18393 6365 1 17 . 1 1 25 25 ALA N N 39 128.271 128.271 123.335 4.936 18393 6366 1 17 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.395 0.079 18393 6367 1 17 . 1 1 25 25 ALA C C 39 174.351 174.351 176.367 -2.016 18393 6368 1 17 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.258 0.058 18393 6369 1 17 . 1 1 25 25 ALA CB C 39 18.111 18.111 17.575 0.536 18393 6370 1 17 . 1 1 25 25 ALA H H 39 7.697 7.697 7.897 -0.200 18393 6371 1 17 . 1 1 26 26 LYS N N 40 121.927 121.927 119.771 2.156 18393 6372 1 17 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.301 -0.183 18393 6373 1 17 . 1 1 26 26 LYS C C 40 177.551 177.551 175.224 2.327 18393 6374 1 17 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.452 1.692 18393 6375 1 17 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.446 0.626 18393 6376 1 17 . 1 1 26 26 LYS H H 40 7.990 7.990 7.697 0.293 18393 6377 1 17 . 1 1 27 27 ARG N N 41 119.572 119.572 118.567 1.005 18393 6378 1 17 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.228 0.410 18393 6379 1 17 . 1 1 27 27 ARG C C 41 174.770 174.770 175.714 -0.944 18393 6380 1 17 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.594 -2.116 18393 6381 1 17 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.983 2.407 18393 6382 1 17 . 1 1 27 27 ARG H H 41 8.296 8.296 7.540 0.756 18393 6383 1 17 . 1 1 28 28 PHE N N 42 120.381 120.381 123.139 -2.758 18393 6384 1 17 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.213 -0.166 18393 6385 1 17 . 1 1 28 28 PHE C C 42 174.407 174.407 175.813 -1.406 18393 6386 1 17 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.190 1.836 18393 6387 1 17 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.459 2.670 18393 6388 1 17 . 1 1 28 28 PHE H H 42 9.339 9.339 8.880 0.459 18393 6389 1 17 . 1 1 29 29 THR N N 43 117.999 117.999 120.122 -2.123 18393 6390 1 17 . 1 1 29 29 THR HA H 43 4.704 4.704 4.818 -0.114 18393 6391 1 17 . 1 1 29 29 THR C C 43 173.713 173.713 172.714 0.999 18393 6392 1 17 . 1 1 29 29 THR CA C 43 62.117 62.117 61.571 0.546 18393 6393 1 17 . 1 1 29 29 THR CB C 43 70.104 70.104 70.928 -0.824 18393 6394 1 17 . 1 1 29 29 THR H H 43 8.949 8.949 9.092 -0.143 18393 6395 1 17 . 1 1 30 30 PHE N N 44 129.592 129.592 127.009 2.583 18393 6396 1 17 . 1 1 30 30 PHE HA H 44 5.395 5.395 5.041 0.354 18393 6397 1 17 . 1 1 30 30 PHE C C 44 173.221 173.221 172.827 0.394 18393 6398 1 17 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.987 0.436 18393 6399 1 17 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.565 1.353 18393 6400 1 17 . 1 1 30 30 PHE H H 44 10.048 10.048 8.852 1.196 18393 6401 1 17 . 1 1 31 31 GLY N N 45 105.921 105.921 109.533 -3.612 18393 6402 1 17 . 1 1 31 31 GLY C C 45 172.774 172.774 171.576 1.198 18393 6403 1 17 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.438 0.100 18393 6404 1 17 . 1 1 31 31 GLY H H 45 9.290 9.290 7.876 1.414 18393 6405 1 17 . 1 1 32 32 VAL N N 46 121.311 121.311 121.352 -0.041 18393 6406 1 17 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.750 0.600 18393 6407 1 17 . 1 1 32 32 VAL C C 46 171.140 171.140 174.850 -3.710 18393 6408 1 17 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.656 -0.824 18393 6409 1 17 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.375 2.012 18393 6410 1 17 . 1 1 32 32 VAL H H 46 8.906 8.906 7.893 1.013 18393 6411 1 17 . 1 1 33 33 ARG N N 47 122.102 122.102 119.741 2.361 18393 6412 1 17 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.123 -0.552 18393 6413 1 17 . 1 1 33 33 ARG C C 47 173.683 173.683 174.458 -0.775 18393 6414 1 17 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.595 0.363 18393 6415 1 17 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.908 1.808 18393 6416 1 17 . 1 1 33 33 ARG H H 47 8.008 8.008 7.835 0.173 18393 6417 1 17 . 1 1 34 34 VAL N N 48 117.391 117.391 120.022 -2.631 18393 6418 1 17 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.512 0.275 18393 6419 1 17 . 1 1 34 34 VAL C C 48 172.777 172.777 173.506 -0.729 18393 6420 1 17 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.401 -0.431 18393 6421 1 17 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.143 0.169 18393 6422 1 17 . 1 1 34 34 VAL H H 48 8.103 8.103 9.129 -1.026 18393 6423 1 17 . 1 1 35 35 ASN N N 49 127.065 127.065 122.022 5.043 18393 6424 1 17 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.395 -0.859 18393 6425 1 17 . 1 1 35 35 ASN C C 49 174.221 174.221 174.091 0.130 18393 6426 1 17 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.422 -0.815 18393 6427 1 17 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.202 -3.459 18393 6428 1 17 . 1 1 35 35 ASN H H 49 8.543 8.543 8.640 -0.097 18393 6429 1 17 . 1 1 36 36 THR N N 50 114.402 114.402 116.011 -1.609 18393 6430 1 17 . 1 1 36 36 THR HA H 50 2.159 2.159 2.991 -0.832 18393 6431 1 17 . 1 1 36 36 THR C C 50 175.168 175.168 175.555 -0.387 18393 6432 1 17 . 1 1 36 36 THR CA C 50 61.126 61.126 61.095 0.031 18393 6433 1 17 . 1 1 36 36 THR CB C 50 69.987 69.987 68.774 1.213 18393 6434 1 17 . 1 1 36 36 THR H H 50 6.801 6.801 7.762 -0.961 18393 6435 1 17 . 1 1 37 37 SER N N 51 114.587 114.587 120.239 -5.652 18393 6436 1 17 . 1 1 37 37 SER HA H 51 4.105 4.105 4.054 0.051 18393 6437 1 17 . 1 1 37 37 SER C C 51 174.760 174.760 174.693 0.067 18393 6438 1 17 . 1 1 37 37 SER CA C 51 59.958 59.958 61.444 -1.486 18393 6439 1 17 . 1 1 37 37 SER CB C 51 63.115 63.115 63.072 0.043 18393 6440 1 17 . 1 1 37 37 SER H H 51 6.797 6.797 8.562 -1.765 18393 6441 1 17 . 1 1 38 38 ASP N N 52 117.329 117.329 117.399 -0.070 18393 6442 1 17 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.614 -0.025 18393 6443 1 17 . 1 1 38 38 ASP C C 52 177.236 177.236 176.507 0.729 18393 6444 1 17 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.458 0.092 18393 6445 1 17 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.855 -0.249 18393 6446 1 17 . 1 1 38 38 ASP H H 52 8.784 8.784 8.069 0.715 18393 6447 1 17 . 1 1 39 39 ARG N N 53 118.330 118.330 119.669 -1.339 18393 6448 1 17 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.556 -0.060 18393 6449 1 17 . 1 1 39 39 ARG C C 53 176.062 176.062 176.025 0.037 18393 6450 1 17 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.416 -1.366 18393 6451 1 17 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.287 -1.846 18393 6452 1 17 . 1 1 39 39 ARG H H 53 7.666 7.666 7.974 -0.308 18393 6453 1 17 . 1 1 40 40 GLY N N 54 110.510 110.510 107.047 3.463 18393 6454 1 17 . 1 1 40 40 GLY C C 54 177.680 177.680 172.200 5.480 18393 6455 1 17 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.281 0.396 18393 6456 1 17 . 1 1 40 40 GLY H H 54 7.248 7.248 7.825 -0.577 18393 6457 1 17 . 1 1 41 41 TRP N N 55 123.328 123.328 123.390 -0.062 18393 6458 1 17 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.620 0.299 18393 6459 1 17 . 1 1 41 41 TRP C C 55 178.873 178.873 177.328 1.545 18393 6460 1 17 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.749 0.367 18393 6461 1 17 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.474 0.300 18393 6462 1 17 . 1 1 41 41 TRP H H 55 8.289 8.289 8.300 -0.011 18393 6463 1 17 . 1 1 42 42 THR N N 56 114.627 114.627 117.379 -2.752 18393 6464 1 17 . 1 1 42 42 THR HA H 56 4.329 4.329 4.335 -0.006 18393 6465 1 17 . 1 1 42 42 THR C C 56 175.261 175.261 174.747 0.514 18393 6466 1 17 . 1 1 42 42 THR CA C 56 61.698 61.698 61.287 0.411 18393 6467 1 17 . 1 1 42 42 THR CB C 56 72.359 72.359 69.915 2.444 18393 6468 1 17 . 1 1 42 42 THR H H 56 8.972 8.972 8.493 0.479 18393 6469 1 17 . 1 1 43 43 ASP N N 57 120.151 120.151 119.443 0.708 18393 6470 1 17 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.408 0.037 18393 6471 1 17 . 1 1 43 43 ASP C C 57 175.710 175.710 176.312 -0.602 18393 6472 1 17 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.009 1.368 18393 6473 1 17 . 1 1 43 43 ASP CB C 57 40.872 40.872 40.998 -0.126 18393 6474 1 17 . 1 1 43 43 ASP H H 57 8.379 8.379 8.335 0.044 18393 6475 1 17 . 1 1 44 44 GLU N N 58 122.449 122.449 123.487 -1.038 18393 6476 1 17 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.538 -0.073 18393 6477 1 17 . 1 1 44 44 GLU C C 58 176.412 176.412 176.619 -0.207 18393 6478 1 17 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.691 -1.220 18393 6479 1 17 . 1 1 44 44 GLU CB C 58 31.058 31.058 30.030 1.028 18393 6480 1 17 . 1 1 44 44 GLU H H 58 8.581 8.581 8.571 0.010 18393 6481 1 17 . 1 1 45 45 CYS N N 59 126.725 126.725 127.183 -0.458 18393 6482 1 17 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.542 0.153 18393 6483 1 17 . 1 1 45 45 CYS C C 59 173.364 173.364 174.079 -0.715 18393 6484 1 17 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.760 1.160 18393 6485 1 17 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.530 3.154 18393 6486 1 17 . 1 1 45 45 CYS H H 59 8.671 8.671 8.819 -0.148 18393 6487 1 17 . 1 1 46 46 ILE N N 60 126.614 126.614 127.170 -0.556 18393 6488 1 17 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.163 0.530 18393 6489 1 17 . 1 1 46 46 ILE C C 60 176.175 176.175 176.699 -0.524 18393 6490 1 17 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.320 -0.544 18393 6491 1 17 . 1 1 46 46 ILE CB C 60 38.346 38.346 38.084 0.262 18393 6492 1 17 . 1 1 46 46 ILE H H 60 8.735 8.735 8.260 0.475 18393 6493 1 17 . 1 1 47 47 GLY N N 61 112.366 112.366 117.058 -4.692 18393 6494 1 17 . 1 1 47 47 GLY C C 61 171.844 171.844 173.509 -1.665 18393 6495 1 17 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.138 0.145 18393 6496 1 17 . 1 1 47 47 GLY H H 61 8.610 8.610 8.728 -0.118 18393 6497 1 17 . 1 1 48 48 GLU N N 62 115.030 115.030 120.624 -5.594 18393 6498 1 17 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.681 -0.136 18393 6499 1 17 . 1 1 48 48 GLU C C 62 174.927 174.927 174.554 0.373 18393 6500 1 17 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.912 -0.030 18393 6501 1 17 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.173 0.176 18393 6502 1 17 . 1 1 48 48 GLU H H 62 8.214 8.214 8.056 0.158 18393 6503 1 17 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.430 0.434 18393 6504 1 17 . 1 1 49 49 PRO C C 63 178.286 178.286 176.059 2.227 18393 6505 1 17 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.568 -1.308 18393 6506 1 17 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.600 -0.333 18393 6507 1 17 . 1 1 50 50 MET N N 64 123.505 123.505 124.604 -1.099 18393 6508 1 17 . 1 1 50 50 MET HA H 64 5.530 5.530 4.918 0.612 18393 6509 1 17 . 1 1 50 50 MET C C 64 176.337 176.337 175.158 1.179 18393 6510 1 17 . 1 1 50 50 MET CA C 64 51.674 51.674 51.500 0.174 18393 6511 1 17 . 1 1 50 50 MET CB C 64 37.597 37.597 34.117 3.480 18393 6512 1 17 . 1 1 50 50 MET H H 64 9.267 9.267 8.791 0.476 18393 6513 1 17 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.379 0.707 18393 6514 1 17 . 1 1 51 51 PRO C C 65 174.862 174.862 175.867 -1.005 18393 6515 1 17 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.261 0.405 18393 6516 1 17 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.780 0.747 18393 6517 1 17 . 1 1 52 52 SER N N 66 109.598 109.598 111.711 -2.113 18393 6518 1 17 . 1 1 52 52 SER HA H 66 4.813 4.813 4.786 0.027 18393 6519 1 17 . 1 1 52 52 SER C C 66 173.368 173.368 174.926 -1.558 18393 6520 1 17 . 1 1 52 52 SER CA C 66 55.463 55.463 56.124 -0.661 18393 6521 1 17 . 1 1 52 52 SER CB C 66 66.775 66.775 65.216 1.559 18393 6522 1 17 . 1 1 52 52 SER H H 66 7.165 7.165 7.242 -0.077 18393 6523 1 17 . 1 1 53 53 VAL N N 67 124.347 124.347 127.565 -3.218 18393 6524 1 17 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.862 -1.032 18393 6525 1 17 . 1 1 53 53 VAL C C 67 177.116 177.116 177.141 -0.025 18393 6526 1 17 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.628 1.201 18393 6527 1 17 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.580 -0.256 18393 6528 1 17 . 1 1 53 53 VAL H H 67 8.522 8.522 8.867 -0.345 18393 6529 1 17 . 1 1 54 54 LYS N N 68 118.639 118.639 119.751 -1.112 18393 6530 1 17 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.017 -0.548 18393 6531 1 17 . 1 1 54 54 LYS C C 68 178.286 178.286 178.521 -0.235 18393 6532 1 17 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.581 0.769 18393 6533 1 17 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.236 0.128 18393 6534 1 17 . 1 1 54 54 LYS H H 68 8.098 8.098 7.785 0.313 18393 6535 1 17 . 1 1 55 55 LYS N N 69 115.388 115.388 119.270 -3.882 18393 6536 1 17 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.149 -0.055 18393 6537 1 17 . 1 1 55 55 LYS C C 69 179.694 179.694 178.690 1.004 18393 6538 1 17 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.807 0.021 18393 6539 1 17 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.374 0.465 18393 6540 1 17 . 1 1 55 55 LYS H H 69 7.499 7.499 7.486 0.013 18393 6541 1 17 . 1 1 56 56 ALA N N 70 124.226 124.226 123.837 0.389 18393 6542 1 17 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.194 -0.045 18393 6543 1 17 . 1 1 56 56 ALA C C 70 181.217 181.217 180.335 0.882 18393 6544 1 17 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.281 0.435 18393 6545 1 17 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.394 2.116 18393 6546 1 17 . 1 1 56 56 ALA H H 70 8.296 8.296 7.978 0.318 18393 6547 1 17 . 1 1 57 57 LYS N N 71 120.522 120.522 118.496 2.026 18393 6548 1 17 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.027 -0.384 18393 6549 1 17 . 1 1 57 57 LYS C C 71 177.937 177.937 178.863 -0.926 18393 6550 1 17 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.043 2.044 18393 6551 1 17 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.605 0.523 18393 6552 1 17 . 1 1 57 57 LYS H H 71 8.385 8.385 7.620 0.765 18393 6553 1 17 . 1 1 58 58 ASP N N 72 119.428 119.428 119.028 0.400 18393 6554 1 17 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.409 -0.103 18393 6555 1 17 . 1 1 58 58 ASP C C 72 177.042 177.042 178.776 -1.734 18393 6556 1 17 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.723 0.417 18393 6557 1 17 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.965 -0.840 18393 6558 1 17 . 1 1 58 58 ASP H H 72 8.029 8.029 7.866 0.163 18393 6559 1 17 . 1 1 59 59 SER N N 73 111.435 111.435 115.467 -4.032 18393 6560 1 17 . 1 1 59 59 SER HA H 73 4.243 4.243 4.188 0.055 18393 6561 1 17 . 1 1 59 59 SER C C 73 177.000 177.000 176.690 0.310 18393 6562 1 17 . 1 1 59 59 SER CA C 73 63.579 63.579 61.791 1.788 18393 6563 1 17 . 1 1 59 59 SER CB C 73 60.947 60.947 62.938 -1.991 18393 6564 1 17 . 1 1 59 59 SER H H 73 7.785 7.785 8.368 -0.583 18393 6565 1 17 . 1 1 60 60 ALA N N 74 120.363 120.363 124.565 -4.202 18393 6566 1 17 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.016 -0.053 18393 6567 1 17 . 1 1 60 60 ALA C C 74 178.170 178.170 179.418 -1.248 18393 6568 1 17 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.772 0.726 18393 6569 1 17 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.426 -0.515 18393 6570 1 17 . 1 1 60 60 ALA H H 74 7.472 7.472 7.745 -0.273 18393 6571 1 17 . 1 1 61 61 ALA N N 75 118.116 118.116 121.661 -3.545 18393 6572 1 17 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.088 -0.140 18393 6573 1 17 . 1 1 61 61 ALA C C 75 179.341 179.341 179.582 -0.241 18393 6574 1 17 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.133 0.527 18393 6575 1 17 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.339 0.603 18393 6576 1 17 . 1 1 61 61 ALA H H 75 8.653 8.653 8.380 0.273 18393 6577 1 17 . 1 1 62 62 VAL N N 76 115.858 115.858 117.952 -2.094 18393 6578 1 17 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.642 0.014 18393 6579 1 17 . 1 1 62 62 VAL C C 76 178.051 178.051 178.022 0.029 18393 6580 1 17 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.400 0.251 18393 6581 1 17 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.631 0.216 18393 6582 1 17 . 1 1 62 62 VAL H H 76 8.124 8.124 7.665 0.459 18393 6583 1 17 . 1 1 63 63 LEU N N 77 119.881 119.881 119.199 0.682 18393 6584 1 17 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.351 -0.162 18393 6585 1 17 . 1 1 63 63 LEU C C 77 179.692 179.692 179.471 0.221 18393 6586 1 17 . 1 1 63 63 LEU CA C 77 57.584 57.584 56.949 0.635 18393 6587 1 17 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.737 0.179 18393 6588 1 17 . 1 1 63 63 LEU H H 77 7.038 7.038 7.545 -0.507 18393 6589 1 17 . 1 1 64 64 LEU N N 78 122.083 122.083 121.796 0.287 18393 6590 1 17 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.106 0.422 18393 6591 1 17 . 1 1 64 64 LEU C C 78 178.601 178.601 178.449 0.152 18393 6592 1 17 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.874 -0.416 18393 6593 1 17 . 1 1 64 64 LEU CB C 78 41.254 41.254 42.010 -0.756 18393 6594 1 17 . 1 1 64 64 LEU H H 78 7.694 7.694 7.846 -0.152 18393 6595 1 17 . 1 1 65 65 LEU N N 79 120.548 120.548 118.230 2.318 18393 6596 1 17 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.024 -0.160 18393 6597 1 17 . 1 1 65 65 LEU C C 79 178.861 178.861 179.128 -0.267 18393 6598 1 17 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.008 0.469 18393 6599 1 17 . 1 1 65 65 LEU CB C 79 41.618 41.618 40.877 0.741 18393 6600 1 17 . 1 1 65 65 LEU H H 79 8.671 8.671 8.610 0.061 18393 6601 1 17 . 1 1 66 66 GLU N N 80 117.398 117.398 117.787 -0.389 18393 6602 1 17 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.119 -0.060 18393 6603 1 17 . 1 1 66 66 GLU C C 80 178.957 178.957 178.655 0.302 18393 6604 1 17 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.755 0.581 18393 6605 1 17 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.830 -0.449 18393 6606 1 17 . 1 1 66 66 GLU H H 80 7.613 7.613 7.490 0.123 18393 6607 1 17 . 1 1 67 67 LEU N N 81 120.633 120.633 120.964 -0.331 18393 6608 1 17 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.081 0.079 18393 6609 1 17 . 1 1 67 67 LEU C C 81 180.162 180.162 179.389 0.773 18393 6610 1 17 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.975 0.138 18393 6611 1 17 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.300 -0.243 18393 6612 1 17 . 1 1 67 67 LEU H H 81 7.656 7.656 7.813 -0.157 18393 6613 1 17 . 1 1 68 68 LEU N N 82 118.949 118.949 118.414 0.535 18393 6614 1 17 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.223 -0.060 18393 6615 1 17 . 1 1 68 68 LEU C C 82 178.289 178.289 178.441 -0.152 18393 6616 1 17 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.293 0.562 18393 6617 1 17 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.221 0.797 18393 6618 1 17 . 1 1 68 68 LEU H H 82 8.583 8.583 8.626 -0.043 18393 6619 1 17 . 1 1 69 69 ASN N N 83 116.570 116.570 115.535 1.035 18393 6620 1 17 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.740 -0.011 18393 6621 1 17 . 1 1 69 69 ASN C C 83 174.784 174.784 175.487 -0.703 18393 6622 1 17 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.979 -0.240 18393 6623 1 17 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.163 -0.015 18393 6624 1 17 . 1 1 69 69 ASN H H 83 7.920 7.920 7.570 0.350 18393 6625 1 17 . 1 1 70 70 LYS N N 84 120.363 120.363 119.590 0.773 18393 6626 1 17 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.610 -0.206 18393 6627 1 17 . 1 1 70 70 LYS C C 84 175.910 175.910 174.553 1.357 18393 6628 1 17 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.625 1.211 18393 6629 1 17 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.552 0.447 18393 6630 1 17 . 1 1 70 70 LYS H H 84 7.593 7.593 7.691 -0.098 18393 6631 1 18 . 1 1 2 2 ASP N N 16 119.381 119.381 122.376 -2.995 18393 6632 1 18 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.559 -0.219 18393 6633 1 18 . 1 1 2 2 ASP C C 16 178.935 178.935 178.236 0.699 18393 6634 1 18 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.016 0.692 18393 6635 1 18 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.587 0.094 18393 6636 1 18 . 1 1 2 2 ASP H H 16 8.320 8.320 8.685 -0.365 18393 6637 1 18 . 1 1 3 3 ILE N N 17 121.475 121.475 119.713 1.762 18393 6638 1 18 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.771 -0.225 18393 6639 1 18 . 1 1 3 3 ILE C C 17 177.116 177.116 177.992 -0.876 18393 6640 1 18 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.545 0.688 18393 6641 1 18 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.667 0.034 18393 6642 1 18 . 1 1 3 3 ILE H H 17 7.793 7.793 8.303 -0.510 18393 6643 1 18 . 1 1 4 4 CYS N N 18 117.506 117.506 117.895 -0.389 18393 6644 1 18 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.469 -0.527 18393 6645 1 18 . 1 1 4 4 CYS C C 18 176.671 176.671 176.934 -0.263 18393 6646 1 18 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.276 2.348 18393 6647 1 18 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.788 -0.823 18393 6648 1 18 . 1 1 4 4 CYS H H 18 7.823 7.823 7.808 0.015 18393 6649 1 18 . 1 1 5 5 LEU N N 19 118.832 118.832 122.795 -3.963 18393 6650 1 18 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.143 -0.047 18393 6651 1 18 . 1 1 5 5 LEU C C 19 180.698 180.698 179.416 1.282 18393 6652 1 18 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.867 0.070 18393 6653 1 18 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.897 0.169 18393 6654 1 18 . 1 1 5 5 LEU H H 19 8.101 8.101 8.591 -0.490 18393 6655 1 18 . 1 1 6 6 ARG N N 20 119.443 119.443 120.140 -0.697 18393 6656 1 18 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.954 -0.020 18393 6657 1 18 . 1 1 6 6 ARG C C 20 178.169 178.169 177.860 0.309 18393 6658 1 18 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.813 0.062 18393 6659 1 18 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.149 -0.169 18393 6660 1 18 . 1 1 6 6 ARG H H 20 7.934 7.934 8.391 -0.457 18393 6661 1 18 . 1 1 7 7 LYS N N 21 116.636 116.636 116.356 0.280 18393 6662 1 18 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.887 -0.114 18393 6663 1 18 . 1 1 7 7 LYS C C 21 175.224 175.224 175.671 -0.447 18393 6664 1 18 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.090 -0.013 18393 6665 1 18 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.854 -0.337 18393 6666 1 18 . 1 1 7 7 LYS H H 21 7.553 7.553 7.420 0.133 18393 6667 1 18 . 1 1 8 8 ASN N N 22 114.898 114.898 115.243 -0.345 18393 6668 1 18 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.396 -0.094 18393 6669 1 18 . 1 1 8 8 ASN C C 22 174.073 174.073 174.512 -0.439 18393 6670 1 18 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.311 0.122 18393 6671 1 18 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.432 -0.415 18393 6672 1 18 . 1 1 8 8 ASN H H 22 7.640 7.640 7.733 -0.093 18393 6673 1 18 . 1 1 9 9 TRP N N 23 120.563 120.563 120.209 0.354 18393 6674 1 18 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.114 0.127 18393 6675 1 18 . 1 1 9 9 TRP C C 23 173.601 173.601 174.988 -1.387 18393 6676 1 18 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.433 -2.613 18393 6677 1 18 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.456 1.119 18393 6678 1 18 . 1 1 9 9 TRP H H 23 8.692 8.692 7.939 0.753 18393 6679 1 18 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.448 0.011 18393 6680 1 18 . 1 1 10 10 PRO C C 24 175.391 175.391 176.511 -1.120 18393 6681 1 18 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.491 -0.393 18393 6682 1 18 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.447 -0.865 18393 6683 1 18 . 1 1 11 11 MET N N 25 116.562 116.562 119.080 -2.518 18393 6684 1 18 . 1 1 11 11 MET HA H 25 4.751 4.751 4.719 0.032 18393 6685 1 18 . 1 1 11 11 MET C C 25 175.240 175.240 175.370 -0.130 18393 6686 1 18 . 1 1 11 11 MET CA C 25 53.800 53.800 52.954 0.846 18393 6687 1 18 . 1 1 11 11 MET CB C 25 30.695 30.695 30.806 -0.111 18393 6688 1 18 . 1 1 11 11 MET H H 25 8.201 8.201 8.405 -0.204 18393 6689 1 18 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.556 -0.232 18393 6690 1 18 . 1 1 12 12 PRO C C 26 174.890 174.890 176.294 -1.404 18393 6691 1 18 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.684 0.797 18393 6692 1 18 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.635 0.090 18393 6693 1 18 . 1 1 13 13 SER N N 27 116.608 116.608 115.840 0.768 18393 6694 1 18 . 1 1 13 13 SER HA H 27 4.781 4.781 4.699 0.082 18393 6695 1 18 . 1 1 13 13 SER C C 27 173.365 173.365 173.485 -0.120 18393 6696 1 18 . 1 1 13 13 SER CA C 27 57.219 57.219 58.112 -0.893 18393 6697 1 18 . 1 1 13 13 SER CB C 27 64.227 64.227 64.138 0.089 18393 6698 1 18 . 1 1 13 13 SER H H 27 8.555 8.555 8.477 0.078 18393 6699 1 18 . 1 1 14 14 TYR N N 28 125.256 125.256 122.704 2.552 18393 6700 1 18 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.130 0.491 18393 6701 1 18 . 1 1 14 14 TYR C C 28 176.175 176.175 174.724 1.451 18393 6702 1 18 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.862 -0.299 18393 6703 1 18 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.911 0.950 18393 6704 1 18 . 1 1 14 14 TYR H H 28 8.939 8.939 8.580 0.359 18393 6705 1 18 . 1 1 15 15 ARG N N 29 120.540 120.540 126.238 -5.698 18393 6706 1 18 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.696 -0.154 18393 6707 1 18 . 1 1 15 15 ARG C C 29 173.134 173.134 174.370 -1.236 18393 6708 1 18 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.340 -0.520 18393 6709 1 18 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.327 0.394 18393 6710 1 18 . 1 1 15 15 ARG H H 29 9.159 9.159 9.428 -0.269 18393 6711 1 18 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.798 -1.901 18393 6712 1 18 . 1 1 16 16 CYS C C 30 174.180 174.180 175.072 -0.892 18393 6713 1 18 . 1 1 16 16 CYS CA C 30 58.719 58.719 58.722 -0.003 18393 6714 1 18 . 1 1 16 16 CYS CB C 30 26.106 26.106 27.842 -1.736 18393 6715 1 18 . 1 1 17 17 VAL N N 31 132.259 132.259 123.803 8.456 18393 6716 1 18 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.032 -0.381 18393 6717 1 18 . 1 1 17 17 VAL C C 31 175.711 175.711 175.811 -0.100 18393 6718 1 18 . 1 1 17 17 VAL CA C 31 64.086 64.086 64.136 -0.050 18393 6719 1 18 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.149 0.363 18393 6720 1 18 . 1 1 17 17 VAL H H 31 8.659 8.659 8.644 0.015 18393 6721 1 18 . 1 1 18 18 LYS N N 32 118.630 118.630 120.660 -2.030 18393 6722 1 18 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.582 -0.222 18393 6723 1 18 . 1 1 18 18 LYS C C 32 173.015 173.015 173.963 -0.948 18393 6724 1 18 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.848 0.554 18393 6725 1 18 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.286 0.718 18393 6726 1 18 . 1 1 18 18 LYS H H 32 7.673 7.673 8.194 -0.521 18393 6727 1 18 . 1 1 19 19 GLU N N 33 125.800 125.800 126.660 -0.860 18393 6728 1 18 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.753 0.100 18393 6729 1 18 . 1 1 19 19 GLU C C 33 175.060 175.060 175.712 -0.652 18393 6730 1 18 . 1 1 19 19 GLU CA C 33 54.564 54.564 56.079 -1.515 18393 6731 1 18 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.753 -0.616 18393 6732 1 18 . 1 1 19 19 GLU H H 33 8.431 8.431 8.685 -0.254 18393 6733 1 18 . 1 1 20 20 GLY N N 34 111.079 111.079 112.232 -1.153 18393 6734 1 18 . 1 1 20 20 GLY C C 34 172.318 172.318 173.260 -0.942 18393 6735 1 18 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.030 -0.389 18393 6736 1 18 . 1 1 20 20 GLY H H 34 8.345 8.345 8.122 0.223 18393 6737 1 18 . 1 1 21 21 GLY N N 35 107.395 107.395 108.405 -1.010 18393 6738 1 18 . 1 1 21 21 GLY C C 35 171.757 171.757 172.796 -1.039 18393 6739 1 18 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.934 -1.197 18393 6740 1 18 . 1 1 21 21 GLY H H 35 8.184 8.184 8.251 -0.067 18393 6741 1 18 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.276 0.200 18393 6742 1 18 . 1 1 22 22 PRO C C 36 177.171 177.171 176.354 0.817 18393 6743 1 18 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.427 -2.164 18393 6744 1 18 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.053 0.208 18393 6745 1 18 . 1 1 23 23 ALA N N 37 120.595 120.595 115.068 5.527 18393 6746 1 18 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.258 -0.435 18393 6747 1 18 . 1 1 23 23 ALA C C 37 178.547 178.547 177.221 1.326 18393 6748 1 18 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.211 3.282 18393 6749 1 18 . 1 1 23 23 ALA CB C 37 18.551 18.551 19.024 -0.473 18393 6750 1 18 . 1 1 23 23 ALA H H 37 8.580 8.580 7.514 1.066 18393 6751 1 18 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.604 0.011 18393 6752 1 18 . 1 1 24 24 HIS C C 38 174.890 174.890 174.407 0.483 18393 6753 1 18 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.476 -0.615 18393 6754 1 18 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.264 1.096 18393 6755 1 18 . 1 1 25 25 ALA N N 39 128.271 128.271 122.832 5.439 18393 6756 1 18 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.517 -0.043 18393 6757 1 18 . 1 1 25 25 ALA C C 39 174.351 174.351 176.367 -2.016 18393 6758 1 18 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.722 -0.406 18393 6759 1 18 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.559 -1.448 18393 6760 1 18 . 1 1 25 25 ALA H H 39 7.697 7.697 7.770 -0.073 18393 6761 1 18 . 1 1 26 26 LYS N N 40 121.927 121.927 119.630 2.297 18393 6762 1 18 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.251 -0.133 18393 6763 1 18 . 1 1 26 26 LYS C C 40 177.551 177.551 175.052 2.499 18393 6764 1 18 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.473 1.671 18393 6765 1 18 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.403 0.669 18393 6766 1 18 . 1 1 26 26 LYS H H 40 7.990 7.990 7.797 0.193 18393 6767 1 18 . 1 1 27 27 ARG N N 41 119.572 119.572 118.913 0.659 18393 6768 1 18 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.089 0.549 18393 6769 1 18 . 1 1 27 27 ARG C C 41 174.770 174.770 175.726 -0.956 18393 6770 1 18 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.754 -2.276 18393 6771 1 18 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.791 2.599 18393 6772 1 18 . 1 1 27 27 ARG H H 41 8.296 8.296 7.483 0.813 18393 6773 1 18 . 1 1 28 28 PHE N N 42 120.381 120.381 124.041 -3.660 18393 6774 1 18 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.259 -0.212 18393 6775 1 18 . 1 1 28 28 PHE C C 42 174.407 174.407 175.809 -1.402 18393 6776 1 18 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.077 1.949 18393 6777 1 18 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.529 2.600 18393 6778 1 18 . 1 1 28 28 PHE H H 42 9.339 9.339 8.914 0.425 18393 6779 1 18 . 1 1 29 29 THR N N 43 117.999 117.999 119.043 -1.044 18393 6780 1 18 . 1 1 29 29 THR HA H 43 4.704 4.704 4.821 -0.117 18393 6781 1 18 . 1 1 29 29 THR C C 43 173.713 173.713 173.055 0.658 18393 6782 1 18 . 1 1 29 29 THR CA C 43 62.117 62.117 61.976 0.141 18393 6783 1 18 . 1 1 29 29 THR CB C 43 70.104 70.104 70.469 -0.365 18393 6784 1 18 . 1 1 29 29 THR H H 43 8.949 8.949 9.100 -0.151 18393 6785 1 18 . 1 1 30 30 PHE N N 44 129.592 129.592 126.963 2.629 18393 6786 1 18 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.992 0.403 18393 6787 1 18 . 1 1 30 30 PHE C C 44 173.221 173.221 172.768 0.453 18393 6788 1 18 . 1 1 30 30 PHE CA C 44 56.423 56.423 55.908 0.515 18393 6789 1 18 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.643 1.274 18393 6790 1 18 . 1 1 30 30 PHE H H 44 10.048 10.048 8.839 1.209 18393 6791 1 18 . 1 1 31 31 GLY N N 45 105.921 105.921 109.059 -3.138 18393 6792 1 18 . 1 1 31 31 GLY C C 45 172.774 172.774 171.469 1.305 18393 6793 1 18 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.392 0.146 18393 6794 1 18 . 1 1 31 31 GLY H H 45 9.290 9.290 7.737 1.553 18393 6795 1 18 . 1 1 32 32 VAL N N 46 121.311 121.311 121.269 0.042 18393 6796 1 18 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.622 0.728 18393 6797 1 18 . 1 1 32 32 VAL C C 46 171.140 171.140 174.774 -3.634 18393 6798 1 18 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.728 -0.896 18393 6799 1 18 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.309 2.078 18393 6800 1 18 . 1 1 32 32 VAL H H 46 8.906 8.906 7.937 0.969 18393 6801 1 18 . 1 1 33 33 ARG N N 47 122.102 122.102 120.544 1.558 18393 6802 1 18 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.158 -0.587 18393 6803 1 18 . 1 1 33 33 ARG C C 47 173.683 173.683 174.477 -0.794 18393 6804 1 18 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.608 0.350 18393 6805 1 18 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.711 2.005 18393 6806 1 18 . 1 1 33 33 ARG H H 47 8.008 8.008 7.799 0.209 18393 6807 1 18 . 1 1 34 34 VAL N N 48 117.391 117.391 121.315 -3.924 18393 6808 1 18 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.548 0.239 18393 6809 1 18 . 1 1 34 34 VAL C C 48 172.777 172.777 174.057 -1.280 18393 6810 1 18 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.057 -0.087 18393 6811 1 18 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.166 0.146 18393 6812 1 18 . 1 1 34 34 VAL H H 48 8.103 8.103 9.220 -1.117 18393 6813 1 18 . 1 1 35 35 ASN N N 49 127.065 127.065 121.019 6.046 18393 6814 1 18 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.470 -0.934 18393 6815 1 18 . 1 1 35 35 ASN C C 49 174.221 174.221 174.326 -0.105 18393 6816 1 18 . 1 1 35 35 ASN CA C 49 50.607 50.607 52.089 -1.482 18393 6817 1 18 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.793 -3.051 18393 6818 1 18 . 1 1 35 35 ASN H H 49 8.543 8.543 8.633 -0.090 18393 6819 1 18 . 1 1 36 36 THR N N 50 114.402 114.402 116.520 -2.118 18393 6820 1 18 . 1 1 36 36 THR HA H 50 2.159 2.159 3.187 -1.028 18393 6821 1 18 . 1 1 36 36 THR C C 50 175.168 175.168 175.013 0.155 18393 6822 1 18 . 1 1 36 36 THR CA C 50 61.126 61.126 61.202 -0.076 18393 6823 1 18 . 1 1 36 36 THR CB C 50 69.987 69.987 68.620 1.367 18393 6824 1 18 . 1 1 36 36 THR H H 50 6.801 6.801 7.950 -1.149 18393 6825 1 18 . 1 1 37 37 SER N N 51 114.587 114.587 121.042 -6.455 18393 6826 1 18 . 1 1 37 37 SER HA H 51 4.105 4.105 3.960 0.145 18393 6827 1 18 . 1 1 37 37 SER C C 51 174.760 174.760 175.191 -0.431 18393 6828 1 18 . 1 1 37 37 SER CA C 51 59.958 59.958 61.481 -1.523 18393 6829 1 18 . 1 1 37 37 SER CB C 51 63.115 63.115 63.230 -0.115 18393 6830 1 18 . 1 1 37 37 SER H H 51 6.797 6.797 8.477 -1.680 18393 6831 1 18 . 1 1 38 38 ASP N N 52 117.329 117.329 118.107 -0.778 18393 6832 1 18 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.484 0.105 18393 6833 1 18 . 1 1 38 38 ASP C C 52 177.236 177.236 176.993 0.243 18393 6834 1 18 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.911 -0.361 18393 6835 1 18 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.799 -0.193 18393 6836 1 18 . 1 1 38 38 ASP H H 52 8.784 8.784 8.219 0.565 18393 6837 1 18 . 1 1 39 39 ARG N N 53 118.330 118.330 120.370 -2.040 18393 6838 1 18 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.400 0.096 18393 6839 1 18 . 1 1 39 39 ARG C C 53 176.062 176.062 176.438 -0.376 18393 6840 1 18 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.004 -0.954 18393 6841 1 18 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.208 -1.767 18393 6842 1 18 . 1 1 39 39 ARG H H 53 7.666 7.666 8.076 -0.410 18393 6843 1 18 . 1 1 40 40 GLY N N 54 110.510 110.510 107.530 2.980 18393 6844 1 18 . 1 1 40 40 GLY C C 54 177.680 177.680 172.598 5.082 18393 6845 1 18 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.175 0.502 18393 6846 1 18 . 1 1 40 40 GLY H H 54 7.248 7.248 7.961 -0.713 18393 6847 1 18 . 1 1 41 41 TRP N N 55 123.328 123.328 123.416 -0.088 18393 6848 1 18 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.764 0.155 18393 6849 1 18 . 1 1 41 41 TRP C C 55 178.873 178.873 177.382 1.491 18393 6850 1 18 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.262 0.855 18393 6851 1 18 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.481 0.293 18393 6852 1 18 . 1 1 41 41 TRP H H 55 8.289 8.289 8.236 0.053 18393 6853 1 18 . 1 1 42 42 THR N N 56 114.627 114.627 118.081 -3.454 18393 6854 1 18 . 1 1 42 42 THR HA H 56 4.329 4.329 4.276 0.053 18393 6855 1 18 . 1 1 42 42 THR C C 56 175.261 175.261 174.632 0.629 18393 6856 1 18 . 1 1 42 42 THR CA C 56 61.698 61.698 61.631 0.067 18393 6857 1 18 . 1 1 42 42 THR CB C 56 72.359 72.359 69.926 2.433 18393 6858 1 18 . 1 1 42 42 THR H H 56 8.972 8.972 8.548 0.424 18393 6859 1 18 . 1 1 43 43 ASP N N 57 120.151 120.151 120.642 -0.491 18393 6860 1 18 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.368 0.077 18393 6861 1 18 . 1 1 43 43 ASP C C 57 175.710 175.710 176.443 -0.733 18393 6862 1 18 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.217 1.160 18393 6863 1 18 . 1 1 43 43 ASP CB C 57 40.872 40.872 40.953 -0.081 18393 6864 1 18 . 1 1 43 43 ASP H H 57 8.379 8.379 8.357 0.022 18393 6865 1 18 . 1 1 44 44 GLU N N 58 122.449 122.449 123.613 -1.164 18393 6866 1 18 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.491 -0.026 18393 6867 1 18 . 1 1 44 44 GLU C C 58 176.412 176.412 176.680 -0.268 18393 6868 1 18 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.831 -1.360 18393 6869 1 18 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.979 1.079 18393 6870 1 18 . 1 1 44 44 GLU H H 58 8.581 8.581 8.507 0.074 18393 6871 1 18 . 1 1 45 45 CYS N N 59 126.725 126.725 127.099 -0.374 18393 6872 1 18 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.508 0.187 18393 6873 1 18 . 1 1 45 45 CYS C C 59 173.364 173.364 174.136 -0.772 18393 6874 1 18 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.788 1.132 18393 6875 1 18 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.245 3.439 18393 6876 1 18 . 1 1 45 45 CYS H H 59 8.671 8.671 8.920 -0.249 18393 6877 1 18 . 1 1 46 46 ILE N N 60 126.614 126.614 127.122 -0.508 18393 6878 1 18 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.192 0.501 18393 6879 1 18 . 1 1 46 46 ILE C C 60 176.175 176.175 176.727 -0.552 18393 6880 1 18 . 1 1 46 46 ILE CA C 60 60.776 60.776 61.093 -0.317 18393 6881 1 18 . 1 1 46 46 ILE CB C 60 38.346 38.346 38.211 0.135 18393 6882 1 18 . 1 1 46 46 ILE H H 60 8.735 8.735 8.170 0.565 18393 6883 1 18 . 1 1 47 47 GLY N N 61 112.366 112.366 116.858 -4.492 18393 6884 1 18 . 1 1 47 47 GLY C C 61 171.844 171.844 173.532 -1.688 18393 6885 1 18 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.129 0.154 18393 6886 1 18 . 1 1 47 47 GLY H H 61 8.610 8.610 8.780 -0.170 18393 6887 1 18 . 1 1 48 48 GLU N N 62 115.030 115.030 120.189 -5.159 18393 6888 1 18 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.629 -0.084 18393 6889 1 18 . 1 1 48 48 GLU C C 62 174.927 174.927 174.571 0.356 18393 6890 1 18 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.087 -0.204 18393 6891 1 18 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.100 0.249 18393 6892 1 18 . 1 1 48 48 GLU H H 62 8.214 8.214 7.996 0.218 18393 6893 1 18 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.412 0.452 18393 6894 1 18 . 1 1 49 49 PRO C C 63 178.286 178.286 176.122 2.164 18393 6895 1 18 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.748 -1.488 18393 6896 1 18 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.614 -0.347 18393 6897 1 18 . 1 1 50 50 MET N N 64 123.505 123.505 125.122 -1.617 18393 6898 1 18 . 1 1 50 50 MET HA H 64 5.530 5.530 4.939 0.591 18393 6899 1 18 . 1 1 50 50 MET C C 64 176.337 176.337 174.976 1.361 18393 6900 1 18 . 1 1 50 50 MET CA C 64 51.674 51.674 51.509 0.165 18393 6901 1 18 . 1 1 50 50 MET CB C 64 37.597 37.597 33.968 3.629 18393 6902 1 18 . 1 1 50 50 MET H H 64 9.267 9.267 8.823 0.444 18393 6903 1 18 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.352 0.734 18393 6904 1 18 . 1 1 51 51 PRO C C 65 174.862 174.862 175.404 -0.542 18393 6905 1 18 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.075 0.591 18393 6906 1 18 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.682 0.845 18393 6907 1 18 . 1 1 52 52 SER N N 66 109.598 109.598 113.191 -3.593 18393 6908 1 18 . 1 1 52 52 SER HA H 66 4.813 4.813 4.956 -0.143 18393 6909 1 18 . 1 1 52 52 SER C C 66 173.368 173.368 174.531 -1.163 18393 6910 1 18 . 1 1 52 52 SER CA C 66 55.463 55.463 56.968 -1.505 18393 6911 1 18 . 1 1 52 52 SER CB C 66 66.775 66.775 66.740 0.035 18393 6912 1 18 . 1 1 52 52 SER H H 66 7.165 7.165 7.337 -0.172 18393 6913 1 18 . 1 1 53 53 VAL N N 67 124.347 124.347 123.496 0.851 18393 6914 1 18 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.930 -1.100 18393 6915 1 18 . 1 1 53 53 VAL C C 67 177.116 177.116 176.979 0.137 18393 6916 1 18 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.131 1.698 18393 6917 1 18 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.624 -0.300 18393 6918 1 18 . 1 1 53 53 VAL H H 67 8.522 8.522 8.807 -0.285 18393 6919 1 18 . 1 1 54 54 LYS N N 68 118.639 118.639 119.881 -1.242 18393 6920 1 18 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.044 -0.575 18393 6921 1 18 . 1 1 54 54 LYS C C 68 178.286 178.286 178.539 -0.253 18393 6922 1 18 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.761 0.589 18393 6923 1 18 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.915 0.449 18393 6924 1 18 . 1 1 54 54 LYS H H 68 8.098 8.098 8.606 -0.508 18393 6925 1 18 . 1 1 55 55 LYS N N 69 115.388 115.388 118.475 -3.087 18393 6926 1 18 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.326 -0.232 18393 6927 1 18 . 1 1 55 55 LYS C C 69 179.694 179.694 178.560 1.134 18393 6928 1 18 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.338 0.490 18393 6929 1 18 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.096 0.743 18393 6930 1 18 . 1 1 55 55 LYS H H 69 7.499 7.499 7.603 -0.104 18393 6931 1 18 . 1 1 56 56 ALA N N 70 124.226 124.226 124.201 0.025 18393 6932 1 18 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.244 -0.095 18393 6933 1 18 . 1 1 56 56 ALA C C 70 181.217 181.217 180.272 0.945 18393 6934 1 18 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.054 0.662 18393 6935 1 18 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.442 2.068 18393 6936 1 18 . 1 1 56 56 ALA H H 70 8.296 8.296 7.996 0.300 18393 6937 1 18 . 1 1 57 57 LYS N N 71 120.522 120.522 118.764 1.758 18393 6938 1 18 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.173 -0.530 18393 6939 1 18 . 1 1 57 57 LYS C C 71 177.937 177.937 178.761 -0.824 18393 6940 1 18 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.512 1.575 18393 6941 1 18 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.519 0.609 18393 6942 1 18 . 1 1 57 57 LYS H H 71 8.385 8.385 7.663 0.722 18393 6943 1 18 . 1 1 58 58 ASP N N 72 119.428 119.428 118.621 0.807 18393 6944 1 18 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.379 -0.073 18393 6945 1 18 . 1 1 58 58 ASP C C 72 177.042 177.042 178.289 -1.247 18393 6946 1 18 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.840 0.300 18393 6947 1 18 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.849 -0.724 18393 6948 1 18 . 1 1 58 58 ASP H H 72 8.029 8.029 7.948 0.081 18393 6949 1 18 . 1 1 59 59 SER N N 73 111.435 111.435 115.761 -4.326 18393 6950 1 18 . 1 1 59 59 SER HA H 73 4.243 4.243 4.216 0.027 18393 6951 1 18 . 1 1 59 59 SER C C 73 177.000 177.000 176.680 0.320 18393 6952 1 18 . 1 1 59 59 SER CA C 73 63.579 63.579 61.690 1.889 18393 6953 1 18 . 1 1 59 59 SER CB C 73 60.947 60.947 62.734 -1.787 18393 6954 1 18 . 1 1 59 59 SER H H 73 7.785 7.785 8.237 -0.452 18393 6955 1 18 . 1 1 60 60 ALA N N 74 120.363 120.363 124.981 -4.618 18393 6956 1 18 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.020 -0.057 18393 6957 1 18 . 1 1 60 60 ALA C C 74 178.170 178.170 179.337 -1.167 18393 6958 1 18 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.917 0.581 18393 6959 1 18 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.401 -0.490 18393 6960 1 18 . 1 1 60 60 ALA H H 74 7.472 7.472 7.884 -0.412 18393 6961 1 18 . 1 1 61 61 ALA N N 75 118.116 118.116 121.947 -3.831 18393 6962 1 18 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.085 -0.137 18393 6963 1 18 . 1 1 61 61 ALA C C 75 179.341 179.341 179.491 -0.150 18393 6964 1 18 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.377 0.283 18393 6965 1 18 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.465 0.477 18393 6966 1 18 . 1 1 61 61 ALA H H 75 8.653 8.653 8.790 -0.137 18393 6967 1 18 . 1 1 62 62 VAL N N 76 115.858 115.858 117.607 -1.749 18393 6968 1 18 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.768 -0.112 18393 6969 1 18 . 1 1 62 62 VAL C C 76 178.051 178.051 177.631 0.420 18393 6970 1 18 . 1 1 62 62 VAL CA C 76 66.651 66.651 65.140 1.511 18393 6971 1 18 . 1 1 62 62 VAL CB C 76 31.847 31.847 32.017 -0.170 18393 6972 1 18 . 1 1 62 62 VAL H H 76 8.124 8.124 7.956 0.168 18393 6973 1 18 . 1 1 63 63 LEU N N 77 119.881 119.881 119.653 0.228 18393 6974 1 18 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.097 0.092 18393 6975 1 18 . 1 1 63 63 LEU C C 77 179.692 179.692 178.939 0.753 18393 6976 1 18 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.219 0.365 18393 6977 1 18 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.834 0.082 18393 6978 1 18 . 1 1 63 63 LEU H H 77 7.038 7.038 7.257 -0.219 18393 6979 1 18 . 1 1 64 64 LEU N N 78 122.083 122.083 121.915 0.168 18393 6980 1 18 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.130 0.398 18393 6981 1 18 . 1 1 64 64 LEU C C 78 178.601 178.601 178.566 0.035 18393 6982 1 18 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.771 -0.313 18393 6983 1 18 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.934 -0.680 18393 6984 1 18 . 1 1 64 64 LEU H H 78 7.694 7.694 8.299 -0.605 18393 6985 1 18 . 1 1 65 65 LEU N N 79 120.548 120.548 118.619 1.929 18393 6986 1 18 . 1 1 65 65 LEU HA H 79 3.864 3.864 3.998 -0.134 18393 6987 1 18 . 1 1 65 65 LEU C C 79 178.861 178.861 178.768 0.093 18393 6988 1 18 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.364 0.113 18393 6989 1 18 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.178 0.439 18393 6990 1 18 . 1 1 65 65 LEU H H 79 8.671 8.671 8.443 0.228 18393 6991 1 18 . 1 1 66 66 GLU N N 80 117.398 117.398 118.490 -1.092 18393 6992 1 18 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.097 -0.038 18393 6993 1 18 . 1 1 66 66 GLU C C 80 178.957 178.957 178.188 0.769 18393 6994 1 18 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.993 0.343 18393 6995 1 18 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.002 0.379 18393 6996 1 18 . 1 1 66 66 GLU H H 80 7.613 7.613 7.477 0.136 18393 6997 1 18 . 1 1 67 67 LEU N N 81 120.633 120.633 120.319 0.314 18393 6998 1 18 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.169 -0.009 18393 6999 1 18 . 1 1 67 67 LEU C C 81 180.162 180.162 178.994 1.168 18393 7000 1 18 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.660 0.453 18393 7001 1 18 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.230 -0.173 18393 7002 1 18 . 1 1 67 67 LEU H H 81 7.656 7.656 7.224 0.432 18393 7003 1 18 . 1 1 68 68 LEU N N 82 118.949 118.949 119.031 -0.082 18393 7004 1 18 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.216 -0.053 18393 7005 1 18 . 1 1 68 68 LEU C C 82 178.289 178.289 178.636 -0.347 18393 7006 1 18 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.035 0.820 18393 7007 1 18 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.004 1.014 18393 7008 1 18 . 1 1 68 68 LEU H H 82 8.583 8.583 8.617 -0.034 18393 7009 1 18 . 1 1 69 69 ASN N N 83 116.570 116.570 117.406 -0.836 18393 7010 1 18 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.696 0.033 18393 7011 1 18 . 1 1 69 69 ASN C C 83 174.784 174.784 175.384 -0.600 18393 7012 1 18 . 1 1 69 69 ASN CA C 83 53.739 53.739 54.188 -0.449 18393 7013 1 18 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.866 0.282 18393 7014 1 18 . 1 1 69 69 ASN H H 83 7.920 7.920 7.943 -0.023 18393 7015 1 18 . 1 1 70 70 LYS N N 84 120.363 120.363 119.869 0.494 18393 7016 1 18 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.590 -0.186 18393 7017 1 18 . 1 1 70 70 LYS C C 84 175.910 175.910 175.164 0.746 18393 7018 1 18 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.591 1.245 18393 7019 1 18 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.806 0.193 18393 7020 1 18 . 1 1 70 70 LYS H H 84 7.593 7.593 7.911 -0.318 18393 7021 1 19 . 1 1 2 2 ASP N N 16 119.381 119.381 121.841 -2.460 18393 7022 1 19 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.494 -0.154 18393 7023 1 19 . 1 1 2 2 ASP C C 16 178.935 178.935 178.314 0.621 18393 7024 1 19 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.129 0.579 18393 7025 1 19 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.711 -0.030 18393 7026 1 19 . 1 1 2 2 ASP H H 16 8.320 8.320 8.522 -0.202 18393 7027 1 19 . 1 1 3 3 ILE N N 17 121.475 121.475 119.427 2.048 18393 7028 1 19 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.859 -0.313 18393 7029 1 19 . 1 1 3 3 ILE C C 17 177.116 177.116 177.720 -0.604 18393 7030 1 19 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.650 0.583 18393 7031 1 19 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.599 0.102 18393 7032 1 19 . 1 1 3 3 ILE H H 17 7.793 7.793 8.182 -0.389 18393 7033 1 19 . 1 1 4 4 CYS N N 18 117.506 117.506 118.760 -1.254 18393 7034 1 19 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.328 -0.386 18393 7035 1 19 . 1 1 4 4 CYS C C 18 176.671 176.671 176.741 -0.070 18393 7036 1 19 . 1 1 4 4 CYS CA C 18 64.624 64.624 61.557 3.067 18393 7037 1 19 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.723 -0.758 18393 7038 1 19 . 1 1 4 4 CYS H H 18 7.823 7.823 7.814 0.009 18393 7039 1 19 . 1 1 5 5 LEU N N 19 118.832 118.832 122.113 -3.281 18393 7040 1 19 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.099 -0.003 18393 7041 1 19 . 1 1 5 5 LEU C C 19 180.698 180.698 179.234 1.464 18393 7042 1 19 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.988 -0.051 18393 7043 1 19 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.852 0.214 18393 7044 1 19 . 1 1 5 5 LEU H H 19 8.101 8.101 8.647 -0.546 18393 7045 1 19 . 1 1 6 6 ARG N N 20 119.443 119.443 119.987 -0.544 18393 7046 1 19 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.964 -0.030 18393 7047 1 19 . 1 1 6 6 ARG C C 20 178.169 178.169 177.809 0.360 18393 7048 1 19 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.694 0.181 18393 7049 1 19 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.117 -0.137 18393 7050 1 19 . 1 1 6 6 ARG H H 20 7.934 7.934 8.014 -0.080 18393 7051 1 19 . 1 1 7 7 LYS N N 21 116.636 116.636 115.754 0.882 18393 7052 1 19 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.862 -0.089 18393 7053 1 19 . 1 1 7 7 LYS C C 21 175.224 175.224 175.302 -0.078 18393 7054 1 19 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.476 -0.398 18393 7055 1 19 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.545 -0.028 18393 7056 1 19 . 1 1 7 7 LYS H H 21 7.553 7.553 7.442 0.111 18393 7057 1 19 . 1 1 8 8 ASN N N 22 114.898 114.898 113.869 1.029 18393 7058 1 19 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.378 -0.076 18393 7059 1 19 . 1 1 8 8 ASN C C 22 174.073 174.073 174.842 -0.769 18393 7060 1 19 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.063 0.370 18393 7061 1 19 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.024 -0.007 18393 7062 1 19 . 1 1 8 8 ASN H H 22 7.640 7.640 7.725 -0.085 18393 7063 1 19 . 1 1 9 9 TRP N N 23 120.563 120.563 119.909 0.654 18393 7064 1 19 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.043 0.198 18393 7065 1 19 . 1 1 9 9 TRP C C 23 173.601 173.601 175.222 -1.621 18393 7066 1 19 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.733 -2.913 18393 7067 1 19 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.382 1.192 18393 7068 1 19 . 1 1 9 9 TRP H H 23 8.692 8.692 7.497 1.195 18393 7069 1 19 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.439 0.020 18393 7070 1 19 . 1 1 10 10 PRO C C 24 175.391 175.391 176.066 -0.675 18393 7071 1 19 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.432 -0.334 18393 7072 1 19 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.596 -1.014 18393 7073 1 19 . 1 1 11 11 MET N N 25 116.562 116.562 118.180 -1.618 18393 7074 1 19 . 1 1 11 11 MET HA H 25 4.751 4.751 4.696 0.055 18393 7075 1 19 . 1 1 11 11 MET C C 25 175.240 175.240 175.276 -0.036 18393 7076 1 19 . 1 1 11 11 MET CA C 25 53.800 53.800 53.112 0.688 18393 7077 1 19 . 1 1 11 11 MET CB C 25 30.695 30.695 31.409 -0.714 18393 7078 1 19 . 1 1 11 11 MET H H 25 8.201 8.201 8.318 -0.117 18393 7079 1 19 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.672 -0.348 18393 7080 1 19 . 1 1 12 12 PRO C C 26 174.890 174.890 176.189 -1.299 18393 7081 1 19 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.749 0.732 18393 7082 1 19 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.712 0.013 18393 7083 1 19 . 1 1 13 13 SER N N 27 116.608 116.608 116.279 0.329 18393 7084 1 19 . 1 1 13 13 SER HA H 27 4.781 4.781 4.733 0.048 18393 7085 1 19 . 1 1 13 13 SER C C 27 173.365 173.365 173.451 -0.086 18393 7086 1 19 . 1 1 13 13 SER CA C 27 57.219 57.219 58.082 -0.863 18393 7087 1 19 . 1 1 13 13 SER CB C 27 64.227 64.227 64.106 0.121 18393 7088 1 19 . 1 1 13 13 SER H H 27 8.555 8.555 8.433 0.122 18393 7089 1 19 . 1 1 14 14 TYR N N 28 125.256 125.256 122.778 2.478 18393 7090 1 19 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.081 0.540 18393 7091 1 19 . 1 1 14 14 TYR C C 28 176.175 176.175 174.861 1.314 18393 7092 1 19 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.900 -0.337 18393 7093 1 19 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.734 1.127 18393 7094 1 19 . 1 1 14 14 TYR H H 28 8.939 8.939 8.658 0.281 18393 7095 1 19 . 1 1 15 15 ARG N N 29 120.540 120.540 124.669 -4.129 18393 7096 1 19 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.713 -0.171 18393 7097 1 19 . 1 1 15 15 ARG C C 29 173.134 173.134 175.301 -2.167 18393 7098 1 19 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.084 -0.264 18393 7099 1 19 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.324 0.397 18393 7100 1 19 . 1 1 15 15 ARG H H 29 9.159 9.159 8.997 0.162 18393 7101 1 19 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.525 -1.628 18393 7102 1 19 . 1 1 16 16 CYS C C 30 174.180 174.180 176.120 -1.940 18393 7103 1 19 . 1 1 16 16 CYS CA C 30 58.719 58.719 60.419 -1.700 18393 7104 1 19 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.013 -1.907 18393 7105 1 19 . 1 1 17 17 VAL N N 31 132.259 132.259 122.058 10.201 18393 7106 1 19 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.247 -0.596 18393 7107 1 19 . 1 1 17 17 VAL C C 31 175.711 175.711 175.421 0.290 18393 7108 1 19 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.132 0.954 18393 7109 1 19 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.473 0.039 18393 7110 1 19 . 1 1 17 17 VAL H H 31 8.659 8.659 8.495 0.164 18393 7111 1 19 . 1 1 18 18 LYS N N 32 118.630 118.630 121.653 -3.023 18393 7112 1 19 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.588 -0.228 18393 7113 1 19 . 1 1 18 18 LYS C C 32 173.015 173.015 174.329 -1.314 18393 7114 1 19 . 1 1 18 18 LYS CA C 32 56.402 56.402 56.009 0.393 18393 7115 1 19 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.679 1.325 18393 7116 1 19 . 1 1 18 18 LYS H H 32 7.673 7.673 8.279 -0.606 18393 7117 1 19 . 1 1 19 19 GLU N N 33 125.800 125.800 124.346 1.454 18393 7118 1 19 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.501 0.352 18393 7119 1 19 . 1 1 19 19 GLU C C 33 175.060 175.060 175.919 -0.859 18393 7120 1 19 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.143 -0.579 18393 7121 1 19 . 1 1 19 19 GLU CB C 33 32.137 32.137 33.150 -1.013 18393 7122 1 19 . 1 1 19 19 GLU H H 33 8.431 8.431 8.402 0.029 18393 7123 1 19 . 1 1 20 20 GLY N N 34 111.079 111.079 110.906 0.173 18393 7124 1 19 . 1 1 20 20 GLY C C 34 172.318 172.318 173.462 -1.144 18393 7125 1 19 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.043 -0.402 18393 7126 1 19 . 1 1 20 20 GLY H H 34 8.345 8.345 8.098 0.247 18393 7127 1 19 . 1 1 21 21 GLY N N 35 107.395 107.395 107.059 0.336 18393 7128 1 19 . 1 1 21 21 GLY C C 35 171.757 171.757 172.884 -1.127 18393 7129 1 19 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.932 -1.195 18393 7130 1 19 . 1 1 21 21 GLY H H 35 8.184 8.184 7.860 0.324 18393 7131 1 19 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.243 0.233 18393 7132 1 19 . 1 1 22 22 PRO C C 36 177.171 177.171 176.332 0.839 18393 7133 1 19 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.553 -2.290 18393 7134 1 19 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.013 0.248 18393 7135 1 19 . 1 1 23 23 ALA N N 37 120.595 120.595 115.784 4.811 18393 7136 1 19 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.186 -0.363 18393 7137 1 19 . 1 1 23 23 ALA C C 37 178.547 178.547 176.588 1.959 18393 7138 1 19 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.045 3.448 18393 7139 1 19 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.847 -0.296 18393 7140 1 19 . 1 1 23 23 ALA H H 37 8.580 8.580 7.422 1.158 18393 7141 1 19 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.657 -0.042 18393 7142 1 19 . 1 1 24 24 HIS C C 38 174.890 174.890 174.273 0.617 18393 7143 1 19 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.263 -0.402 18393 7144 1 19 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.595 0.765 18393 7145 1 19 . 1 1 25 25 ALA N N 39 128.271 128.271 122.950 5.321 18393 7146 1 19 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.403 0.071 18393 7147 1 19 . 1 1 25 25 ALA C C 39 174.351 174.351 176.632 -2.281 18393 7148 1 19 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.299 0.017 18393 7149 1 19 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.103 -0.992 18393 7150 1 19 . 1 1 25 25 ALA H H 39 7.697 7.697 7.547 0.150 18393 7151 1 19 . 1 1 26 26 LYS N N 40 121.927 121.927 119.322 2.605 18393 7152 1 19 . 1 1 26 26 LYS HA H 40 4.118 4.118 3.954 0.164 18393 7153 1 19 . 1 1 26 26 LYS C C 40 177.551 177.551 175.711 1.840 18393 7154 1 19 . 1 1 26 26 LYS CA C 40 56.144 56.144 55.298 0.846 18393 7155 1 19 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.144 0.928 18393 7156 1 19 . 1 1 26 26 LYS H H 40 7.990 7.990 8.307 -0.317 18393 7157 1 19 . 1 1 27 27 ARG N N 41 119.572 119.572 118.446 1.126 18393 7158 1 19 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.495 0.143 18393 7159 1 19 . 1 1 27 27 ARG C C 41 174.770 174.770 175.525 -0.755 18393 7160 1 19 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.846 -2.368 18393 7161 1 19 . 1 1 27 27 ARG CB C 41 33.390 33.390 31.180 2.210 18393 7162 1 19 . 1 1 27 27 ARG H H 41 8.296 8.296 7.407 0.889 18393 7163 1 19 . 1 1 28 28 PHE N N 42 120.381 120.381 122.920 -2.539 18393 7164 1 19 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.150 -0.103 18393 7165 1 19 . 1 1 28 28 PHE C C 42 174.407 174.407 175.812 -1.405 18393 7166 1 19 . 1 1 28 28 PHE CA C 42 57.026 57.026 56.841 0.185 18393 7167 1 19 . 1 1 28 28 PHE CB C 42 43.129 43.129 41.659 1.470 18393 7168 1 19 . 1 1 28 28 PHE H H 42 9.339 9.339 9.353 -0.014 18393 7169 1 19 . 1 1 29 29 THR N N 43 117.999 117.999 118.879 -0.880 18393 7170 1 19 . 1 1 29 29 THR HA H 43 4.704 4.704 4.830 -0.126 18393 7171 1 19 . 1 1 29 29 THR C C 43 173.713 173.713 172.761 0.952 18393 7172 1 19 . 1 1 29 29 THR CA C 43 62.117 62.117 61.534 0.583 18393 7173 1 19 . 1 1 29 29 THR CB C 43 70.104 70.104 70.796 -0.692 18393 7174 1 19 . 1 1 29 29 THR H H 43 8.949 8.949 9.244 -0.295 18393 7175 1 19 . 1 1 30 30 PHE N N 44 129.592 129.592 126.280 3.312 18393 7176 1 19 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.996 0.399 18393 7177 1 19 . 1 1 30 30 PHE C C 44 173.221 173.221 172.711 0.510 18393 7178 1 19 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.457 -0.034 18393 7179 1 19 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.537 1.380 18393 7180 1 19 . 1 1 30 30 PHE H H 44 10.048 10.048 8.788 1.260 18393 7181 1 19 . 1 1 31 31 GLY N N 45 105.921 105.921 109.061 -3.140 18393 7182 1 19 . 1 1 31 31 GLY C C 45 172.774 172.774 171.729 1.045 18393 7183 1 19 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.338 0.200 18393 7184 1 19 . 1 1 31 31 GLY H H 45 9.290 9.290 7.810 1.480 18393 7185 1 19 . 1 1 32 32 VAL N N 46 121.311 121.311 120.725 0.586 18393 7186 1 19 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.631 0.719 18393 7187 1 19 . 1 1 32 32 VAL C C 46 171.140 171.140 174.766 -3.626 18393 7188 1 19 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.602 -0.770 18393 7189 1 19 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.368 2.019 18393 7190 1 19 . 1 1 32 32 VAL H H 46 8.906 8.906 7.893 1.013 18393 7191 1 19 . 1 1 33 33 ARG N N 47 122.102 122.102 119.506 2.596 18393 7192 1 19 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.258 -0.687 18393 7193 1 19 . 1 1 33 33 ARG C C 47 173.683 173.683 174.605 -0.922 18393 7194 1 19 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.475 0.483 18393 7195 1 19 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.973 1.743 18393 7196 1 19 . 1 1 33 33 ARG H H 47 8.008 8.008 7.856 0.152 18393 7197 1 19 . 1 1 34 34 VAL N N 48 117.391 117.391 120.264 -2.873 18393 7198 1 19 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.576 0.211 18393 7199 1 19 . 1 1 34 34 VAL C C 48 172.777 172.777 173.663 -0.886 18393 7200 1 19 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.230 -0.260 18393 7201 1 19 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.364 -0.052 18393 7202 1 19 . 1 1 34 34 VAL H H 48 8.103 8.103 9.093 -0.990 18393 7203 1 19 . 1 1 35 35 ASN N N 49 127.065 127.065 122.887 4.178 18393 7204 1 19 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.401 -0.865 18393 7205 1 19 . 1 1 35 35 ASN C C 49 174.221 174.221 173.918 0.303 18393 7206 1 19 . 1 1 35 35 ASN CA C 49 50.607 50.607 52.331 -1.724 18393 7207 1 19 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.481 -2.739 18393 7208 1 19 . 1 1 35 35 ASN H H 49 8.543 8.543 8.727 -0.184 18393 7209 1 19 . 1 1 36 36 THR N N 50 114.402 114.402 114.829 -0.427 18393 7210 1 19 . 1 1 36 36 THR HA H 50 2.159 2.159 2.669 -0.510 18393 7211 1 19 . 1 1 36 36 THR C C 50 175.168 175.168 175.217 -0.049 18393 7212 1 19 . 1 1 36 36 THR CA C 50 61.126 61.126 61.426 -0.300 18393 7213 1 19 . 1 1 36 36 THR CB C 50 69.987 69.987 68.773 1.214 18393 7214 1 19 . 1 1 36 36 THR H H 50 6.801 6.801 7.657 -0.856 18393 7215 1 19 . 1 1 37 37 SER N N 51 114.587 114.587 120.197 -5.610 18393 7216 1 19 . 1 1 37 37 SER HA H 51 4.105 4.105 4.004 0.101 18393 7217 1 19 . 1 1 37 37 SER C C 51 174.760 174.760 174.669 0.091 18393 7218 1 19 . 1 1 37 37 SER CA C 51 59.958 59.958 61.299 -1.341 18393 7219 1 19 . 1 1 37 37 SER CB C 51 63.115 63.115 63.234 -0.119 18393 7220 1 19 . 1 1 37 37 SER H H 51 6.797 6.797 8.185 -1.388 18393 7221 1 19 . 1 1 38 38 ASP N N 52 117.329 117.329 117.671 -0.342 18393 7222 1 19 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.544 0.045 18393 7223 1 19 . 1 1 38 38 ASP C C 52 177.236 177.236 176.850 0.386 18393 7224 1 19 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.672 -0.122 18393 7225 1 19 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.833 -0.227 18393 7226 1 19 . 1 1 38 38 ASP H H 52 8.784 8.784 8.031 0.753 18393 7227 1 19 . 1 1 39 39 ARG N N 53 118.330 118.330 119.368 -1.038 18393 7228 1 19 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.612 -0.116 18393 7229 1 19 . 1 1 39 39 ARG C C 53 176.062 176.062 175.860 0.202 18393 7230 1 19 . 1 1 39 39 ARG CA C 53 55.050 55.050 55.903 -0.853 18393 7231 1 19 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.725 -2.284 18393 7232 1 19 . 1 1 39 39 ARG H H 53 7.666 7.666 8.077 -0.411 18393 7233 1 19 . 1 1 40 40 GLY N N 54 110.510 110.510 107.514 2.996 18393 7234 1 19 . 1 1 40 40 GLY C C 54 177.680 177.680 172.173 5.507 18393 7235 1 19 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.332 0.345 18393 7236 1 19 . 1 1 40 40 GLY H H 54 7.248 7.248 7.971 -0.723 18393 7237 1 19 . 1 1 41 41 TRP N N 55 123.328 123.328 123.509 -0.181 18393 7238 1 19 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.704 0.215 18393 7239 1 19 . 1 1 41 41 TRP C C 55 178.873 178.873 177.131 1.742 18393 7240 1 19 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.571 0.546 18393 7241 1 19 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.420 0.354 18393 7242 1 19 . 1 1 41 41 TRP H H 55 8.289 8.289 8.289 0.000 18393 7243 1 19 . 1 1 42 42 THR N N 56 114.627 114.627 117.173 -2.546 18393 7244 1 19 . 1 1 42 42 THR HA H 56 4.329 4.329 4.309 0.020 18393 7245 1 19 . 1 1 42 42 THR C C 56 175.261 175.261 174.616 0.645 18393 7246 1 19 . 1 1 42 42 THR CA C 56 61.698 61.698 61.438 0.260 18393 7247 1 19 . 1 1 42 42 THR CB C 56 72.359 72.359 69.764 2.595 18393 7248 1 19 . 1 1 42 42 THR H H 56 8.972 8.972 8.507 0.465 18393 7249 1 19 . 1 1 43 43 ASP N N 57 120.151 120.151 120.825 -0.674 18393 7250 1 19 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.384 0.061 18393 7251 1 19 . 1 1 43 43 ASP C C 57 175.710 175.710 176.500 -0.790 18393 7252 1 19 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.444 0.933 18393 7253 1 19 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.227 -0.355 18393 7254 1 19 . 1 1 43 43 ASP H H 57 8.379 8.379 8.357 0.022 18393 7255 1 19 . 1 1 44 44 GLU N N 58 122.449 122.449 123.477 -1.028 18393 7256 1 19 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.529 -0.064 18393 7257 1 19 . 1 1 44 44 GLU C C 58 176.412 176.412 176.526 -0.114 18393 7258 1 19 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.651 -1.180 18393 7259 1 19 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.934 1.124 18393 7260 1 19 . 1 1 44 44 GLU H H 58 8.581 8.581 8.547 0.034 18393 7261 1 19 . 1 1 45 45 CYS N N 59 126.725 126.725 127.361 -0.636 18393 7262 1 19 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.467 0.228 18393 7263 1 19 . 1 1 45 45 CYS C C 59 173.364 173.364 174.244 -0.880 18393 7264 1 19 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.957 0.963 18393 7265 1 19 . 1 1 45 45 CYS CB C 59 29.684 29.684 25.800 3.884 18393 7266 1 19 . 1 1 45 45 CYS H H 59 8.671 8.671 8.830 -0.159 18393 7267 1 19 . 1 1 46 46 ILE N N 60 126.614 126.614 126.513 0.101 18393 7268 1 19 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.285 0.408 18393 7269 1 19 . 1 1 46 46 ILE C C 60 176.175 176.175 177.107 -0.932 18393 7270 1 19 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.314 0.462 18393 7271 1 19 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.773 0.573 18393 7272 1 19 . 1 1 46 46 ILE H H 60 8.735 8.735 7.988 0.747 18393 7273 1 19 . 1 1 47 47 GLY N N 61 112.366 112.366 116.928 -4.562 18393 7274 1 19 . 1 1 47 47 GLY C C 61 171.844 171.844 173.257 -1.413 18393 7275 1 19 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.352 -0.069 18393 7276 1 19 . 1 1 47 47 GLY H H 61 8.610 8.610 8.752 -0.141 18393 7277 1 19 . 1 1 48 48 GLU N N 62 115.030 115.030 118.629 -3.599 18393 7278 1 19 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.655 -0.110 18393 7279 1 19 . 1 1 48 48 GLU C C 62 174.927 174.927 174.671 0.256 18393 7280 1 19 . 1 1 48 48 GLU CA C 62 53.882 53.882 53.643 0.239 18393 7281 1 19 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.293 1.056 18393 7282 1 19 . 1 1 48 48 GLU H H 62 8.214 8.214 7.890 0.324 18393 7283 1 19 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.443 0.421 18393 7284 1 19 . 1 1 49 49 PRO C C 63 178.286 178.286 175.896 2.390 18393 7285 1 19 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.755 -1.494 18393 7286 1 19 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.442 -0.175 18393 7287 1 19 . 1 1 50 50 MET N N 64 123.505 123.505 123.353 0.152 18393 7288 1 19 . 1 1 50 50 MET HA H 64 5.530 5.530 5.067 0.463 18393 7289 1 19 . 1 1 50 50 MET C C 64 176.337 176.337 174.859 1.478 18393 7290 1 19 . 1 1 50 50 MET CA C 64 51.674 51.674 51.184 0.490 18393 7291 1 19 . 1 1 50 50 MET CB C 64 37.597 37.597 34.440 3.158 18393 7292 1 19 . 1 1 50 50 MET H H 64 9.267 9.267 8.800 0.467 18393 7293 1 19 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.681 0.405 18393 7294 1 19 . 1 1 51 51 PRO C C 65 174.862 174.862 175.581 -0.719 18393 7295 1 19 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.566 0.100 18393 7296 1 19 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.568 0.959 18393 7297 1 19 . 1 1 52 52 SER N N 66 109.598 109.598 112.764 -3.166 18393 7298 1 19 . 1 1 52 52 SER HA H 66 4.813 4.813 4.645 0.168 18393 7299 1 19 . 1 1 52 52 SER C C 66 173.368 173.368 173.987 -0.619 18393 7300 1 19 . 1 1 52 52 SER CA C 66 55.463 55.463 56.913 -1.450 18393 7301 1 19 . 1 1 52 52 SER CB C 66 66.775 66.775 66.479 0.296 18393 7302 1 19 . 1 1 52 52 SER H H 66 7.165 7.165 7.383 -0.218 18393 7303 1 19 . 1 1 53 53 VAL N N 67 124.347 124.347 125.164 -0.817 18393 7304 1 19 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.119 -0.289 18393 7305 1 19 . 1 1 53 53 VAL C C 67 177.116 177.116 177.179 -0.063 18393 7306 1 19 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.773 1.056 18393 7307 1 19 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.384 -0.060 18393 7308 1 19 . 1 1 53 53 VAL H H 67 8.522 8.522 8.409 0.113 18393 7309 1 19 . 1 1 54 54 LYS N N 68 118.639 118.639 119.058 -0.419 18393 7310 1 19 . 1 1 54 54 LYS HA H 68 3.469 3.469 3.971 -0.502 18393 7311 1 19 . 1 1 54 54 LYS C C 68 178.286 178.286 178.573 -0.287 18393 7312 1 19 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.910 0.440 18393 7313 1 19 . 1 1 54 54 LYS CB C 68 32.364 32.364 31.893 0.471 18393 7314 1 19 . 1 1 54 54 LYS H H 68 8.098 8.098 8.431 -0.333 18393 7315 1 19 . 1 1 55 55 LYS N N 69 115.388 115.388 118.090 -2.702 18393 7316 1 19 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.291 -0.197 18393 7317 1 19 . 1 1 55 55 LYS C C 69 179.694 179.694 178.443 1.251 18393 7318 1 19 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.218 0.610 18393 7319 1 19 . 1 1 55 55 LYS CB C 69 32.839 32.839 31.954 0.885 18393 7320 1 19 . 1 1 55 55 LYS H H 69 7.499 7.499 7.636 -0.137 18393 7321 1 19 . 1 1 56 56 ALA N N 70 124.226 124.226 124.921 -0.695 18393 7322 1 19 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.183 -0.034 18393 7323 1 19 . 1 1 56 56 ALA C C 70 181.217 181.217 179.415 1.802 18393 7324 1 19 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.206 0.510 18393 7325 1 19 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.529 1.981 18393 7326 1 19 . 1 1 56 56 ALA H H 70 8.296 8.296 8.103 0.193 18393 7327 1 19 . 1 1 57 57 LYS N N 71 120.522 120.522 118.265 2.257 18393 7328 1 19 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.056 -0.413 18393 7329 1 19 . 1 1 57 57 LYS C C 71 177.937 177.937 178.909 -0.972 18393 7330 1 19 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.305 0.782 18393 7331 1 19 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.022 0.106 18393 7332 1 19 . 1 1 57 57 LYS H H 71 8.385 8.385 7.752 0.633 18393 7333 1 19 . 1 1 58 58 ASP N N 72 119.428 119.428 118.571 0.857 18393 7334 1 19 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.411 -0.105 18393 7335 1 19 . 1 1 58 58 ASP C C 72 177.042 177.042 178.382 -1.340 18393 7336 1 19 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.599 0.541 18393 7337 1 19 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.739 -0.614 18393 7338 1 19 . 1 1 58 58 ASP H H 72 8.029 8.029 8.023 0.006 18393 7339 1 19 . 1 1 59 59 SER N N 73 111.435 111.435 115.449 -4.014 18393 7340 1 19 . 1 1 59 59 SER HA H 73 4.243 4.243 4.169 0.074 18393 7341 1 19 . 1 1 59 59 SER C C 73 177.000 177.000 176.421 0.579 18393 7342 1 19 . 1 1 59 59 SER CA C 73 63.579 63.579 61.672 1.907 18393 7343 1 19 . 1 1 59 59 SER CB C 73 60.947 60.947 63.061 -2.114 18393 7344 1 19 . 1 1 59 59 SER H H 73 7.785 7.785 7.965 -0.180 18393 7345 1 19 . 1 1 60 60 ALA N N 74 120.363 120.363 123.641 -3.278 18393 7346 1 19 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.010 -0.047 18393 7347 1 19 . 1 1 60 60 ALA C C 74 178.170 178.170 179.374 -1.204 18393 7348 1 19 . 1 1 60 60 ALA CA C 74 55.498 55.498 55.001 0.497 18393 7349 1 19 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.357 -0.446 18393 7350 1 19 . 1 1 60 60 ALA H H 74 7.472 7.472 7.756 -0.284 18393 7351 1 19 . 1 1 61 61 ALA N N 75 118.116 118.116 121.789 -3.673 18393 7352 1 19 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.104 -0.156 18393 7353 1 19 . 1 1 61 61 ALA C C 75 179.341 179.341 179.347 -0.006 18393 7354 1 19 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.321 0.339 18393 7355 1 19 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.469 0.473 18393 7356 1 19 . 1 1 61 61 ALA H H 75 8.653 8.653 8.733 -0.080 18393 7357 1 19 . 1 1 62 62 VAL N N 76 115.858 115.858 118.311 -2.453 18393 7358 1 19 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.817 -0.161 18393 7359 1 19 . 1 1 62 62 VAL C C 76 178.051 178.051 177.630 0.421 18393 7360 1 19 . 1 1 62 62 VAL CA C 76 66.651 66.651 65.323 1.328 18393 7361 1 19 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.535 0.312 18393 7362 1 19 . 1 1 62 62 VAL H H 76 8.124 8.124 8.151 -0.027 18393 7363 1 19 . 1 1 63 63 LEU N N 77 119.881 119.881 118.994 0.887 18393 7364 1 19 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.099 0.090 18393 7365 1 19 . 1 1 63 63 LEU C C 77 179.692 179.692 179.222 0.470 18393 7366 1 19 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.341 0.243 18393 7367 1 19 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.595 0.321 18393 7368 1 19 . 1 1 63 63 LEU H H 77 7.038 7.038 7.169 -0.131 18393 7369 1 19 . 1 1 64 64 LEU N N 78 122.083 122.083 122.075 0.008 18393 7370 1 19 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.136 0.392 18393 7371 1 19 . 1 1 64 64 LEU C C 78 178.601 178.601 178.565 0.036 18393 7372 1 19 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.877 -0.419 18393 7373 1 19 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.914 -0.660 18393 7374 1 19 . 1 1 64 64 LEU H H 78 7.694 7.694 8.166 -0.472 18393 7375 1 19 . 1 1 65 65 LEU N N 79 120.548 120.548 119.141 1.407 18393 7376 1 19 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.016 -0.152 18393 7377 1 19 . 1 1 65 65 LEU C C 79 178.861 178.861 179.393 -0.532 18393 7378 1 19 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.458 0.019 18393 7379 1 19 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.082 0.536 18393 7380 1 19 . 1 1 65 65 LEU H H 79 8.671 8.671 8.611 0.060 18393 7381 1 19 . 1 1 66 66 GLU N N 80 117.398 117.398 117.624 -0.226 18393 7382 1 19 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.063 -0.004 18393 7383 1 19 . 1 1 66 66 GLU C C 80 178.957 178.957 177.863 1.094 18393 7384 1 19 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.986 0.349 18393 7385 1 19 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.541 -0.160 18393 7386 1 19 . 1 1 66 66 GLU H H 80 7.613 7.613 7.597 0.016 18393 7387 1 19 . 1 1 67 67 LEU N N 81 120.633 120.633 119.559 1.074 18393 7388 1 19 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.245 -0.085 18393 7389 1 19 . 1 1 67 67 LEU C C 81 180.162 180.162 178.783 1.379 18393 7390 1 19 . 1 1 67 67 LEU CA C 81 58.113 58.113 56.899 1.214 18393 7391 1 19 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.184 -0.128 18393 7392 1 19 . 1 1 67 67 LEU H H 81 7.656 7.656 7.215 0.441 18393 7393 1 19 . 1 1 68 68 LEU N N 82 118.949 118.949 120.205 -1.256 18393 7394 1 19 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.106 0.057 18393 7395 1 19 . 1 1 68 68 LEU C C 82 178.289 178.289 178.699 -0.410 18393 7396 1 19 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.779 0.076 18393 7397 1 19 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.894 0.124 18393 7398 1 19 . 1 1 68 68 LEU H H 82 8.583 8.583 8.715 -0.132 18393 7399 1 19 . 1 1 69 69 ASN N N 83 116.570 116.570 116.180 0.390 18393 7400 1 19 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.649 0.080 18393 7401 1 19 . 1 1 69 69 ASN C C 83 174.784 174.784 174.407 0.377 18393 7402 1 19 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.177 0.562 18393 7403 1 19 . 1 1 69 69 ASN CB C 83 39.148 39.148 38.923 0.225 18393 7404 1 19 . 1 1 69 69 ASN H H 83 7.920 7.920 7.748 0.172 18393 7405 1 19 . 1 1 70 70 LYS N N 84 120.363 120.363 115.748 4.615 18393 7406 1 19 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.077 0.327 18393 7407 1 19 . 1 1 70 70 LYS C C 84 175.910 175.910 174.734 1.176 18393 7408 1 19 . 1 1 70 70 LYS CA C 84 56.836 56.836 57.640 -0.804 18393 7409 1 19 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.311 0.688 18393 7410 1 19 . 1 1 70 70 LYS H H 84 7.593 7.593 8.003 -0.410 18393 7411 1 20 . 1 1 2 2 ASP N N 16 119.381 119.381 121.889 -2.508 18393 7412 1 20 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.527 -0.187 18393 7413 1 20 . 1 1 2 2 ASP C C 16 178.935 178.935 178.094 0.841 18393 7414 1 20 . 1 1 2 2 ASP CA C 16 57.708 57.708 56.834 0.874 18393 7415 1 20 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.739 -0.058 18393 7416 1 20 . 1 1 2 2 ASP H H 16 8.320 8.320 8.482 -0.162 18393 7417 1 20 . 1 1 3 3 ILE N N 17 121.475 121.475 119.368 2.107 18393 7418 1 20 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.851 -0.305 18393 7419 1 20 . 1 1 3 3 ILE C C 17 177.116 177.116 177.811 -0.695 18393 7420 1 20 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.513 0.720 18393 7421 1 20 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.580 0.121 18393 7422 1 20 . 1 1 3 3 ILE H H 17 7.793 7.793 8.220 -0.427 18393 7423 1 20 . 1 1 4 4 CYS N N 18 117.506 117.506 118.559 -1.053 18393 7424 1 20 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.443 -0.501 18393 7425 1 20 . 1 1 4 4 CYS C C 18 176.671 176.671 176.743 -0.072 18393 7426 1 20 . 1 1 4 4 CYS CA C 18 64.624 64.624 61.595 3.029 18393 7427 1 20 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.897 -0.932 18393 7428 1 20 . 1 1 4 4 CYS H H 18 7.823 7.823 7.746 0.077 18393 7429 1 20 . 1 1 5 5 LEU N N 19 118.832 118.832 122.970 -4.138 18393 7430 1 20 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.109 -0.013 18393 7431 1 20 . 1 1 5 5 LEU C C 19 180.698 180.698 179.187 1.511 18393 7432 1 20 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.891 0.046 18393 7433 1 20 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.831 0.235 18393 7434 1 20 . 1 1 5 5 LEU H H 19 8.101 8.101 8.509 -0.408 18393 7435 1 20 . 1 1 6 6 ARG N N 20 119.443 119.443 119.914 -0.471 18393 7436 1 20 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.949 -0.015 18393 7437 1 20 . 1 1 6 6 ARG C C 20 178.169 178.169 177.809 0.360 18393 7438 1 20 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.720 0.155 18393 7439 1 20 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.109 -0.129 18393 7440 1 20 . 1 1 6 6 ARG H H 20 7.934 7.934 8.392 -0.458 18393 7441 1 20 . 1 1 7 7 LYS N N 21 116.636 116.636 116.566 0.070 18393 7442 1 20 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.850 -0.077 18393 7443 1 20 . 1 1 7 7 LYS C C 21 175.224 175.224 175.505 -0.281 18393 7444 1 20 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.121 -0.043 18393 7445 1 20 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.638 -0.121 18393 7446 1 20 . 1 1 7 7 LYS H H 21 7.553 7.553 7.271 0.282 18393 7447 1 20 . 1 1 8 8 ASN N N 22 114.898 114.898 115.166 -0.268 18393 7448 1 20 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.381 -0.079 18393 7449 1 20 . 1 1 8 8 ASN C C 22 174.073 174.073 174.294 -0.221 18393 7450 1 20 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.396 0.037 18393 7451 1 20 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.327 -0.310 18393 7452 1 20 . 1 1 8 8 ASN H H 22 7.640 7.640 7.616 0.024 18393 7453 1 20 . 1 1 9 9 TRP N N 23 120.563 120.563 120.014 0.549 18393 7454 1 20 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.156 0.085 18393 7455 1 20 . 1 1 9 9 TRP C C 23 173.601 173.601 175.031 -1.430 18393 7456 1 20 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.343 -2.523 18393 7457 1 20 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.465 1.109 18393 7458 1 20 . 1 1 9 9 TRP H H 23 8.692 8.692 7.630 1.062 18393 7459 1 20 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.534 -0.075 18393 7460 1 20 . 1 1 10 10 PRO C C 24 175.391 175.391 176.444 -1.053 18393 7461 1 20 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.316 -0.218 18393 7462 1 20 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.731 -1.149 18393 7463 1 20 . 1 1 11 11 MET N N 25 116.562 116.562 117.422 -0.860 18393 7464 1 20 . 1 1 11 11 MET HA H 25 4.751 4.751 4.772 -0.021 18393 7465 1 20 . 1 1 11 11 MET C C 25 175.240 175.240 175.208 0.032 18393 7466 1 20 . 1 1 11 11 MET CA C 25 53.800 53.800 53.164 0.636 18393 7467 1 20 . 1 1 11 11 MET CB C 25 30.695 30.695 31.034 -0.339 18393 7468 1 20 . 1 1 11 11 MET H H 25 8.201 8.201 8.362 -0.161 18393 7469 1 20 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.687 -0.363 18393 7470 1 20 . 1 1 12 12 PRO C C 26 174.890 174.890 176.131 -1.241 18393 7471 1 20 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.654 0.827 18393 7472 1 20 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.701 0.024 18393 7473 1 20 . 1 1 13 13 SER N N 27 116.608 116.608 115.264 1.344 18393 7474 1 20 . 1 1 13 13 SER HA H 27 4.781 4.781 4.768 0.013 18393 7475 1 20 . 1 1 13 13 SER C C 27 173.365 173.365 173.502 -0.137 18393 7476 1 20 . 1 1 13 13 SER CA C 27 57.219 57.219 58.112 -0.893 18393 7477 1 20 . 1 1 13 13 SER CB C 27 64.227 64.227 64.110 0.117 18393 7478 1 20 . 1 1 13 13 SER H H 27 8.555 8.555 8.610 -0.055 18393 7479 1 20 . 1 1 14 14 TYR N N 28 125.256 125.256 123.662 1.594 18393 7480 1 20 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.080 0.541 18393 7481 1 20 . 1 1 14 14 TYR C C 28 176.175 176.175 174.585 1.590 18393 7482 1 20 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.932 -0.369 18393 7483 1 20 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.966 0.895 18393 7484 1 20 . 1 1 14 14 TYR H H 28 8.939 8.939 8.632 0.307 18393 7485 1 20 . 1 1 15 15 ARG N N 29 120.540 120.540 125.684 -5.144 18393 7486 1 20 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.642 -0.100 18393 7487 1 20 . 1 1 15 15 ARG C C 29 173.134 173.134 174.389 -1.255 18393 7488 1 20 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.282 -0.462 18393 7489 1 20 . 1 1 15 15 ARG CB C 29 34.721 34.721 34.141 0.580 18393 7490 1 20 . 1 1 15 15 ARG H H 29 9.159 9.159 9.303 -0.144 18393 7491 1 20 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.672 -1.775 18393 7492 1 20 . 1 1 16 16 CYS C C 30 174.180 174.180 175.742 -1.562 18393 7493 1 20 . 1 1 16 16 CYS CA C 30 58.719 58.719 58.915 -0.196 18393 7494 1 20 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.214 -2.108 18393 7495 1 20 . 1 1 17 17 VAL N N 31 132.259 132.259 121.222 11.037 18393 7496 1 20 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.202 -0.551 18393 7497 1 20 . 1 1 17 17 VAL C C 31 175.711 175.711 175.757 -0.046 18393 7498 1 20 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.622 0.464 18393 7499 1 20 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.242 0.270 18393 7500 1 20 . 1 1 17 17 VAL H H 31 8.659 8.659 8.533 0.126 18393 7501 1 20 . 1 1 18 18 LYS N N 32 118.630 118.630 121.806 -3.176 18393 7502 1 20 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.603 -0.243 18393 7503 1 20 . 1 1 18 18 LYS C C 32 173.015 173.015 174.354 -1.339 18393 7504 1 20 . 1 1 18 18 LYS CA C 32 56.402 56.402 56.019 0.383 18393 7505 1 20 . 1 1 18 18 LYS CB C 32 36.004 36.004 34.806 1.198 18393 7506 1 20 . 1 1 18 18 LYS H H 32 7.673 7.673 8.139 -0.466 18393 7507 1 20 . 1 1 19 19 GLU N N 33 125.800 125.800 126.334 -0.534 18393 7508 1 20 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.833 0.020 18393 7509 1 20 . 1 1 19 19 GLU C C 33 175.060 175.060 175.652 -0.592 18393 7510 1 20 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.906 -1.342 18393 7511 1 20 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.990 -0.853 18393 7512 1 20 . 1 1 19 19 GLU H H 33 8.431 8.431 8.672 -0.241 18393 7513 1 20 . 1 1 20 20 GLY N N 34 111.079 111.079 113.366 -2.287 18393 7514 1 20 . 1 1 20 20 GLY C C 34 172.318 172.318 173.087 -0.769 18393 7515 1 20 . 1 1 20 20 GLY CA C 34 44.641 44.641 44.923 -0.282 18393 7516 1 20 . 1 1 20 20 GLY H H 34 8.345 8.345 8.205 0.140 18393 7517 1 20 . 1 1 21 21 GLY N N 35 107.395 107.395 107.509 -0.114 18393 7518 1 20 . 1 1 21 21 GLY C C 35 171.757 171.757 172.905 -1.148 18393 7519 1 20 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.840 -1.103 18393 7520 1 20 . 1 1 21 21 GLY H H 35 8.184 8.184 7.943 0.241 18393 7521 1 20 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.275 0.201 18393 7522 1 20 . 1 1 22 22 PRO C C 36 177.171 177.171 176.365 0.806 18393 7523 1 20 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.419 -2.156 18393 7524 1 20 . 1 1 22 22 PRO CB C 36 32.261 32.261 32.058 0.203 18393 7525 1 20 . 1 1 23 23 ALA N N 37 120.595 120.595 115.242 5.353 18393 7526 1 20 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.241 -0.418 18393 7527 1 20 . 1 1 23 23 ALA C C 37 178.547 178.547 176.886 1.661 18393 7528 1 20 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.188 3.305 18393 7529 1 20 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.980 -0.429 18393 7530 1 20 . 1 1 23 23 ALA H H 37 8.580 8.580 7.492 1.088 18393 7531 1 20 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.574 0.041 18393 7532 1 20 . 1 1 24 24 HIS C C 38 174.890 174.890 174.206 0.684 18393 7533 1 20 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.242 -0.381 18393 7534 1 20 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.177 1.183 18393 7535 1 20 . 1 1 25 25 ALA N N 39 128.271 128.271 122.732 5.539 18393 7536 1 20 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.463 0.011 18393 7537 1 20 . 1 1 25 25 ALA C C 39 174.351 174.351 176.917 -2.566 18393 7538 1 20 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.444 -0.128 18393 7539 1 20 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.648 -1.537 18393 7540 1 20 . 1 1 25 25 ALA H H 39 7.697 7.697 7.638 0.059 18393 7541 1 20 . 1 1 26 26 LYS N N 40 121.927 121.927 119.505 2.422 18393 7542 1 20 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.117 0.001 18393 7543 1 20 . 1 1 26 26 LYS C C 40 177.551 177.551 174.891 2.660 18393 7544 1 20 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.635 1.509 18393 7545 1 20 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.299 0.773 18393 7546 1 20 . 1 1 26 26 LYS H H 40 7.990 7.990 8.011 -0.021 18393 7547 1 20 . 1 1 27 27 ARG N N 41 119.572 119.572 117.916 1.656 18393 7548 1 20 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.152 0.486 18393 7549 1 20 . 1 1 27 27 ARG C C 41 174.770 174.770 175.292 -0.522 18393 7550 1 20 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.236 -1.758 18393 7551 1 20 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.397 2.993 18393 7552 1 20 . 1 1 27 27 ARG H H 41 8.296 8.296 7.372 0.924 18393 7553 1 20 . 1 1 28 28 PHE N N 42 120.381 120.381 123.901 -3.520 18393 7554 1 20 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.361 -0.314 18393 7555 1 20 . 1 1 28 28 PHE C C 42 174.407 174.407 175.833 -1.426 18393 7556 1 20 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.659 1.367 18393 7557 1 20 . 1 1 28 28 PHE CB C 42 43.129 43.129 41.028 2.101 18393 7558 1 20 . 1 1 28 28 PHE H H 42 9.339 9.339 8.864 0.475 18393 7559 1 20 . 1 1 29 29 THR N N 43 117.999 117.999 118.633 -0.634 18393 7560 1 20 . 1 1 29 29 THR HA H 43 4.704 4.704 4.825 -0.121 18393 7561 1 20 . 1 1 29 29 THR C C 43 173.713 173.713 172.853 0.860 18393 7562 1 20 . 1 1 29 29 THR CA C 43 62.117 62.117 61.541 0.576 18393 7563 1 20 . 1 1 29 29 THR CB C 43 70.104 70.104 71.022 -0.918 18393 7564 1 20 . 1 1 29 29 THR H H 43 8.949 8.949 9.197 -0.248 18393 7565 1 20 . 1 1 30 30 PHE N N 44 129.592 129.592 126.336 3.256 18393 7566 1 20 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.985 0.410 18393 7567 1 20 . 1 1 30 30 PHE C C 44 173.221 173.221 172.794 0.427 18393 7568 1 20 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.245 0.178 18393 7569 1 20 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.528 1.389 18393 7570 1 20 . 1 1 30 30 PHE H H 44 10.048 10.048 8.780 1.268 18393 7571 1 20 . 1 1 31 31 GLY N N 45 105.921 105.921 109.568 -3.647 18393 7572 1 20 . 1 1 31 31 GLY C C 45 172.774 172.774 171.983 0.791 18393 7573 1 20 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.367 0.171 18393 7574 1 20 . 1 1 31 31 GLY H H 45 9.290 9.290 7.925 1.365 18393 7575 1 20 . 1 1 32 32 VAL N N 46 121.311 121.311 121.347 -0.036 18393 7576 1 20 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.708 0.642 18393 7577 1 20 . 1 1 32 32 VAL C C 46 171.140 171.140 174.884 -3.744 18393 7578 1 20 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.160 -0.328 18393 7579 1 20 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.137 2.250 18393 7580 1 20 . 1 1 32 32 VAL H H 46 8.906 8.906 7.974 0.932 18393 7581 1 20 . 1 1 33 33 ARG N N 47 122.102 122.102 119.793 2.309 18393 7582 1 20 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.050 -0.479 18393 7583 1 20 . 1 1 33 33 ARG C C 47 173.683 173.683 174.248 -0.565 18393 7584 1 20 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.815 0.143 18393 7585 1 20 . 1 1 33 33 ARG CB C 47 35.716 35.716 34.024 1.692 18393 7586 1 20 . 1 1 33 33 ARG H H 47 8.008 8.008 7.890 0.118 18393 7587 1 20 . 1 1 34 34 VAL N N 48 117.391 117.391 119.935 -2.544 18393 7588 1 20 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.555 0.232 18393 7589 1 20 . 1 1 34 34 VAL C C 48 172.777 172.777 173.654 -0.877 18393 7590 1 20 . 1 1 34 34 VAL CA C 48 59.970 59.970 59.756 0.214 18393 7591 1 20 . 1 1 34 34 VAL CB C 48 36.312 36.312 35.952 0.360 18393 7592 1 20 . 1 1 34 34 VAL H H 48 8.103 8.103 8.968 -0.865 18393 7593 1 20 . 1 1 35 35 ASN N N 49 127.065 127.065 121.552 5.513 18393 7594 1 20 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.435 -0.899 18393 7595 1 20 . 1 1 35 35 ASN C C 49 174.221 174.221 174.185 0.036 18393 7596 1 20 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.794 -1.187 18393 7597 1 20 . 1 1 35 35 ASN CB C 49 34.742 34.742 38.032 -3.290 18393 7598 1 20 . 1 1 35 35 ASN H H 49 8.543 8.543 8.692 -0.149 18393 7599 1 20 . 1 1 36 36 THR N N 50 114.402 114.402 116.476 -2.074 18393 7600 1 20 . 1 1 36 36 THR HA H 50 2.159 2.159 2.890 -0.731 18393 7601 1 20 . 1 1 36 36 THR C C 50 175.168 175.168 175.595 -0.427 18393 7602 1 20 . 1 1 36 36 THR CA C 50 61.126 61.126 61.731 -0.605 18393 7603 1 20 . 1 1 36 36 THR CB C 50 69.987 69.987 68.858 1.129 18393 7604 1 20 . 1 1 36 36 THR H H 50 6.801 6.801 7.882 -1.081 18393 7605 1 20 . 1 1 37 37 SER N N 51 114.587 114.587 120.510 -5.923 18393 7606 1 20 . 1 1 37 37 SER HA H 51 4.105 4.105 4.001 0.104 18393 7607 1 20 . 1 1 37 37 SER C C 51 174.760 174.760 175.090 -0.330 18393 7608 1 20 . 1 1 37 37 SER CA C 51 59.958 59.958 61.740 -1.782 18393 7609 1 20 . 1 1 37 37 SER CB C 51 63.115 63.115 63.174 -0.059 18393 7610 1 20 . 1 1 37 37 SER H H 51 6.797 6.797 8.449 -1.652 18393 7611 1 20 . 1 1 38 38 ASP N N 52 117.329 117.329 117.457 -0.128 18393 7612 1 20 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.604 -0.015 18393 7613 1 20 . 1 1 38 38 ASP C C 52 177.236 177.236 176.385 0.851 18393 7614 1 20 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.715 -0.165 18393 7615 1 20 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.638 -0.032 18393 7616 1 20 . 1 1 38 38 ASP H H 52 8.784 8.784 8.411 0.373 18393 7617 1 20 . 1 1 39 39 ARG N N 53 118.330 118.330 118.741 -0.411 18393 7618 1 20 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.481 0.015 18393 7619 1 20 . 1 1 39 39 ARG C C 53 176.062 176.062 176.243 -0.181 18393 7620 1 20 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.084 -1.034 18393 7621 1 20 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.310 -1.869 18393 7622 1 20 . 1 1 39 39 ARG H H 53 7.666 7.666 8.101 -0.435 18393 7623 1 20 . 1 1 40 40 GLY N N 54 110.510 110.510 107.096 3.414 18393 7624 1 20 . 1 1 40 40 GLY C C 54 177.680 177.680 172.641 5.039 18393 7625 1 20 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.185 0.492 18393 7626 1 20 . 1 1 40 40 GLY H H 54 7.248 7.248 7.866 -0.618 18393 7627 1 20 . 1 1 41 41 TRP N N 55 123.328 123.328 123.460 -0.132 18393 7628 1 20 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.780 0.139 18393 7629 1 20 . 1 1 41 41 TRP C C 55 178.873 178.873 177.579 1.294 18393 7630 1 20 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.355 0.762 18393 7631 1 20 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.323 0.451 18393 7632 1 20 . 1 1 41 41 TRP H H 55 8.289 8.289 8.320 -0.031 18393 7633 1 20 . 1 1 42 42 THR N N 56 114.627 114.627 116.552 -1.925 18393 7634 1 20 . 1 1 42 42 THR HA H 56 4.329 4.329 4.280 0.049 18393 7635 1 20 . 1 1 42 42 THR C C 56 175.261 175.261 174.213 1.048 18393 7636 1 20 . 1 1 42 42 THR CA C 56 61.698 61.698 61.498 0.200 18393 7637 1 20 . 1 1 42 42 THR CB C 56 72.359 72.359 70.230 2.129 18393 7638 1 20 . 1 1 42 42 THR H H 56 8.972 8.972 8.353 0.619 18393 7639 1 20 . 1 1 43 43 ASP N N 57 120.151 120.151 120.812 -0.661 18393 7640 1 20 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.553 -0.108 18393 7641 1 20 . 1 1 43 43 ASP C C 57 175.710 175.710 175.982 -0.272 18393 7642 1 20 . 1 1 43 43 ASP CA C 57 55.377 55.377 55.382 -0.005 18393 7643 1 20 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.178 -0.306 18393 7644 1 20 . 1 1 43 43 ASP H H 57 8.379 8.379 8.366 0.013 18393 7645 1 20 . 1 1 44 44 GLU N N 58 122.449 122.449 123.890 -1.441 18393 7646 1 20 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.447 0.018 18393 7647 1 20 . 1 1 44 44 GLU C C 58 176.412 176.412 176.776 -0.364 18393 7648 1 20 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.906 -1.435 18393 7649 1 20 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.980 1.078 18393 7650 1 20 . 1 1 44 44 GLU H H 58 8.581 8.581 8.574 0.007 18393 7651 1 20 . 1 1 45 45 CYS N N 59 126.725 126.725 128.036 -1.311 18393 7652 1 20 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.522 0.173 18393 7653 1 20 . 1 1 45 45 CYS C C 59 173.364 173.364 174.090 -0.726 18393 7654 1 20 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.438 1.482 18393 7655 1 20 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.076 3.608 18393 7656 1 20 . 1 1 45 45 CYS H H 59 8.671 8.671 8.886 -0.215 18393 7657 1 20 . 1 1 46 46 ILE N N 60 126.614 126.614 126.621 -0.007 18393 7658 1 20 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.276 0.417 18393 7659 1 20 . 1 1 46 46 ILE C C 60 176.175 176.175 176.761 -0.586 18393 7660 1 20 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.233 0.542 18393 7661 1 20 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.264 1.083 18393 7662 1 20 . 1 1 46 46 ILE H H 60 8.735 8.735 7.996 0.739 18393 7663 1 20 . 1 1 47 47 GLY N N 61 112.366 112.366 116.884 -4.518 18393 7664 1 20 . 1 1 47 47 GLY C C 61 171.844 171.844 173.436 -1.592 18393 7665 1 20 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.289 -0.006 18393 7666 1 20 . 1 1 47 47 GLY H H 61 8.610 8.610 8.873 -0.263 18393 7667 1 20 . 1 1 48 48 GLU N N 62 115.030 115.030 119.916 -4.886 18393 7668 1 20 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.597 -0.052 18393 7669 1 20 . 1 1 48 48 GLU C C 62 174.927 174.927 174.881 0.046 18393 7670 1 20 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.407 -0.525 18393 7671 1 20 . 1 1 48 48 GLU CB C 62 30.349 30.349 30.359 -0.010 18393 7672 1 20 . 1 1 48 48 GLU H H 62 8.214 8.214 8.103 0.111 18393 7673 1 20 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.624 0.240 18393 7674 1 20 . 1 1 49 49 PRO C C 63 178.286 178.286 176.144 2.142 18393 7675 1 20 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.371 -1.111 18393 7676 1 20 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.751 -0.484 18393 7677 1 20 . 1 1 50 50 MET N N 64 123.505 123.505 125.108 -1.603 18393 7678 1 20 . 1 1 50 50 MET HA H 64 5.530 5.530 4.971 0.559 18393 7679 1 20 . 1 1 50 50 MET C C 64 176.337 176.337 175.018 1.319 18393 7680 1 20 . 1 1 50 50 MET CA C 64 51.674 51.674 51.523 0.151 18393 7681 1 20 . 1 1 50 50 MET CB C 64 37.597 37.597 33.714 3.883 18393 7682 1 20 . 1 1 50 50 MET H H 64 9.267 9.267 8.857 0.410 18393 7683 1 20 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.405 0.681 18393 7684 1 20 . 1 1 51 51 PRO C C 65 174.862 174.862 175.949 -1.087 18393 7685 1 20 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.184 0.481 18393 7686 1 20 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.301 1.226 18393 7687 1 20 . 1 1 52 52 SER N N 66 109.598 109.598 112.212 -2.614 18393 7688 1 20 . 1 1 52 52 SER HA H 66 4.813 4.813 4.842 -0.029 18393 7689 1 20 . 1 1 52 52 SER C C 66 173.368 173.368 174.699 -1.331 18393 7690 1 20 . 1 1 52 52 SER CA C 66 55.463 55.463 56.509 -1.046 18393 7691 1 20 . 1 1 52 52 SER CB C 66 66.775 66.775 65.512 1.263 18393 7692 1 20 . 1 1 52 52 SER H H 66 7.165 7.165 7.323 -0.158 18393 7693 1 20 . 1 1 53 53 VAL N N 67 124.347 124.347 126.403 -2.056 18393 7694 1 20 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.764 -0.934 18393 7695 1 20 . 1 1 53 53 VAL C C 67 177.116 177.116 177.229 -0.113 18393 7696 1 20 . 1 1 53 53 VAL CA C 67 66.829 66.829 64.708 2.121 18393 7697 1 20 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.179 0.145 18393 7698 1 20 . 1 1 53 53 VAL H H 67 8.522 8.522 8.794 -0.272 18393 7699 1 20 . 1 1 54 54 LYS N N 68 118.639 118.639 119.210 -0.571 18393 7700 1 20 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.128 -0.659 18393 7701 1 20 . 1 1 54 54 LYS C C 68 178.286 178.286 178.388 -0.102 18393 7702 1 20 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.008 1.342 18393 7703 1 20 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.064 0.300 18393 7704 1 20 . 1 1 54 54 LYS H H 68 8.098 8.098 7.658 0.440 18393 7705 1 20 . 1 1 55 55 LYS N N 69 115.388 115.388 118.772 -3.384 18393 7706 1 20 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.355 -0.261 18393 7707 1 20 . 1 1 55 55 LYS C C 69 179.694 179.694 178.568 1.126 18393 7708 1 20 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.388 0.440 18393 7709 1 20 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.117 0.722 18393 7710 1 20 . 1 1 55 55 LYS H H 69 7.499 7.499 7.685 -0.186 18393 7711 1 20 . 1 1 56 56 ALA N N 70 124.226 124.226 124.899 -0.673 18393 7712 1 20 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.198 -0.049 18393 7713 1 20 . 1 1 56 56 ALA C C 70 181.217 181.217 179.420 1.797 18393 7714 1 20 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.305 0.411 18393 7715 1 20 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.540 1.970 18393 7716 1 20 . 1 1 56 56 ALA H H 70 8.296 8.296 8.104 0.192 18393 7717 1 20 . 1 1 57 57 LYS N N 71 120.522 120.522 118.005 2.517 18393 7718 1 20 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.058 -0.415 18393 7719 1 20 . 1 1 57 57 LYS C C 71 177.937 177.937 178.838 -0.901 18393 7720 1 20 . 1 1 57 57 LYS CA C 71 61.087 61.087 60.193 0.894 18393 7721 1 20 . 1 1 57 57 LYS CB C 71 32.128 32.128 32.022 0.106 18393 7722 1 20 . 1 1 57 57 LYS H H 71 8.385 8.385 7.569 0.816 18393 7723 1 20 . 1 1 58 58 ASP N N 72 119.428 119.428 118.932 0.496 18393 7724 1 20 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.415 -0.109 18393 7725 1 20 . 1 1 58 58 ASP C C 72 177.042 177.042 178.597 -1.555 18393 7726 1 20 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.395 0.745 18393 7727 1 20 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.797 -0.673 18393 7728 1 20 . 1 1 58 58 ASP H H 72 8.029 8.029 7.782 0.247 18393 7729 1 20 . 1 1 59 59 SER N N 73 111.435 111.435 115.513 -4.078 18393 7730 1 20 . 1 1 59 59 SER HA H 73 4.243 4.243 4.130 0.113 18393 7731 1 20 . 1 1 59 59 SER C C 73 177.000 177.000 176.493 0.507 18393 7732 1 20 . 1 1 59 59 SER CA C 73 63.579 63.579 61.691 1.888 18393 7733 1 20 . 1 1 59 59 SER CB C 73 60.947 60.947 63.105 -2.158 18393 7734 1 20 . 1 1 59 59 SER H H 73 7.785 7.785 8.244 -0.459 18393 7735 1 20 . 1 1 60 60 ALA N N 74 120.363 120.363 123.416 -3.053 18393 7736 1 20 . 1 1 60 60 ALA HA H 74 3.963 3.963 3.996 -0.033 18393 7737 1 20 . 1 1 60 60 ALA C C 74 178.170 178.170 179.391 -1.221 18393 7738 1 20 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.981 0.517 18393 7739 1 20 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.377 -0.466 18393 7740 1 20 . 1 1 60 60 ALA H H 74 7.472 7.472 7.718 -0.246 18393 7741 1 20 . 1 1 61 61 ALA N N 75 118.116 118.116 122.106 -3.990 18393 7742 1 20 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.075 -0.127 18393 7743 1 20 . 1 1 61 61 ALA C C 75 179.341 179.341 179.623 -0.282 18393 7744 1 20 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.306 0.354 18393 7745 1 20 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.436 0.506 18393 7746 1 20 . 1 1 61 61 ALA H H 75 8.653 8.653 8.598 0.055 18393 7747 1 20 . 1 1 62 62 VAL N N 76 115.858 115.858 117.648 -1.790 18393 7748 1 20 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.657 -0.001 18393 7749 1 20 . 1 1 62 62 VAL C C 76 178.051 178.051 178.050 0.001 18393 7750 1 20 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.382 0.269 18393 7751 1 20 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.751 0.096 18393 7752 1 20 . 1 1 62 62 VAL H H 76 8.124 8.124 7.954 0.170 18393 7753 1 20 . 1 1 63 63 LEU N N 77 119.881 119.881 118.706 1.175 18393 7754 1 20 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.172 0.017 18393 7755 1 20 . 1 1 63 63 LEU C C 77 179.692 179.692 179.472 0.220 18393 7756 1 20 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.126 0.458 18393 7757 1 20 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.794 0.122 18393 7758 1 20 . 1 1 63 63 LEU H H 77 7.038 7.038 7.213 -0.175 18393 7759 1 20 . 1 1 64 64 LEU N N 78 122.083 122.083 121.961 0.122 18393 7760 1 20 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.132 0.396 18393 7761 1 20 . 1 1 64 64 LEU C C 78 178.601 178.601 178.687 -0.086 18393 7762 1 20 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.826 -0.368 18393 7763 1 20 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.956 -0.702 18393 7764 1 20 . 1 1 64 64 LEU H H 78 7.694 7.694 8.217 -0.523 18393 7765 1 20 . 1 1 65 65 LEU N N 79 120.548 120.548 118.389 2.159 18393 7766 1 20 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.051 -0.187 18393 7767 1 20 . 1 1 65 65 LEU C C 79 178.861 178.861 178.986 -0.125 18393 7768 1 20 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.215 0.262 18393 7769 1 20 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.412 0.206 18393 7770 1 20 . 1 1 65 65 LEU H H 79 8.671 8.671 8.468 0.203 18393 7771 1 20 . 1 1 66 66 GLU N N 80 117.398 117.398 117.600 -0.202 18393 7772 1 20 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.090 -0.031 18393 7773 1 20 . 1 1 66 66 GLU C C 80 178.957 178.957 177.496 1.461 18393 7774 1 20 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.704 0.632 18393 7775 1 20 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.610 -0.229 18393 7776 1 20 . 1 1 66 66 GLU H H 80 7.613 7.613 7.429 0.184 18393 7777 1 20 . 1 1 67 67 LEU N N 81 120.633 120.633 119.360 1.273 18393 7778 1 20 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.068 0.092 18393 7779 1 20 . 1 1 67 67 LEU C C 81 180.162 180.162 178.574 1.588 18393 7780 1 20 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.125 0.988 18393 7781 1 20 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.417 -0.360 18393 7782 1 20 . 1 1 67 67 LEU H H 81 7.656 7.656 7.371 0.285 18393 7783 1 20 . 1 1 68 68 LEU N N 82 118.949 118.949 117.997 0.952 18393 7784 1 20 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.201 -0.038 18393 7785 1 20 . 1 1 68 68 LEU C C 82 178.289 178.289 178.461 -0.172 18393 7786 1 20 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.277 0.578 18393 7787 1 20 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.860 0.158 18393 7788 1 20 . 1 1 68 68 LEU H H 82 8.583 8.583 8.336 0.247 18393 7789 1 20 . 1 1 69 69 ASN N N 83 116.570 116.570 115.131 1.439 18393 7790 1 20 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.734 -0.005 18393 7791 1 20 . 1 1 69 69 ASN C C 83 174.784 174.784 174.713 0.071 18393 7792 1 20 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.404 0.334 18393 7793 1 20 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.249 -0.101 18393 7794 1 20 . 1 1 69 69 ASN H H 83 7.920 7.920 7.628 0.292 18393 7795 1 20 . 1 1 70 70 LYS N N 84 120.363 120.363 117.591 2.772 18393 7796 1 20 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.132 0.272 18393 7797 1 20 . 1 1 70 70 LYS C C 84 175.910 175.910 174.349 1.561 18393 7798 1 20 . 1 1 70 70 LYS CA C 84 56.836 56.836 57.239 -0.403 18393 7799 1 20 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.193 0.806 18393 7800 1 20 . 1 1 70 70 LYS H H 84 7.593 7.593 8.125 -0.532 18393 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 62 2.948 0.560 2.917 18393 2 1 1 "Average Difference" HA 74 0.427 0.030 0.429 18393 3 1 1 "Average Difference" C 69 1.206 0.096 1.211 18393 4 1 1 "Average Difference" CA 69 0.964 -0.110 0.965 18393 5 1 1 "Average Difference" CB 64 1.346 -0.378 1.302 18393 6 1 1 "Average Difference" HN 62 0.505 0.001 0.509 18393 7 1 2 "Average Difference" N 62 2.908 0.269 2.919 18393 8 1 2 "Average Difference" HA 74 0.440 0.059 0.439 18393 9 1 2 "Average Difference" C 69 1.277 0.048 1.286 18393 10 1 2 "Average Difference" CA 69 1.105 -0.168 1.100 18393 11 1 2 "Average Difference" CB 64 1.290 -0.306 1.263 18393 12 1 2 "Average Difference" HN 62 0.553 -0.069 0.553 18393 13 1 3 "Average Difference" N 62 2.921 0.536 2.895 18393 14 1 3 "Average Difference" HA 74 0.424 0.047 0.424 18393 15 1 3 "Average Difference" C 69 1.255 0.089 1.261 18393 16 1 3 "Average Difference" CA 69 1.047 -0.132 1.047 18393 17 1 3 "Average Difference" CB 64 1.192 -0.316 1.158 18393 18 1 3 "Average Difference" HN 62 0.550 -0.060 0.551 18393 19 1 4 "Average Difference" N 62 3.019 0.378 3.020 18393 20 1 4 "Average Difference" HA 74 0.463 0.051 0.464 18393 21 1 4 "Average Difference" C 69 1.361 0.043 1.370 18393 22 1 4 "Average Difference" CA 69 1.096 -0.154 1.093 18393 23 1 4 "Average Difference" CB 64 1.411 -0.194 1.409 18393 24 1 4 "Average Difference" HN 62 0.558 -0.024 0.562 18393 25 1 5 "Average Difference" N 62 2.886 0.622 2.841 18393 26 1 5 "Average Difference" HA 74 0.441 0.049 0.441 18393 27 1 5 "Average Difference" C 69 1.262 0.072 1.269 18393 28 1 5 "Average Difference" CA 69 0.970 -0.103 0.972 18393 29 1 5 "Average Difference" CB 64 1.340 -0.366 1.299 18393 30 1 5 "Average Difference" HN 62 0.533 -0.002 0.538 18393 31 1 6 "Average Difference" N 62 2.856 0.451 2.844 18393 32 1 6 "Average Difference" HA 74 0.428 0.033 0.430 18393 33 1 6 "Average Difference" C 69 1.237 0.071 1.244 18393 34 1 6 "Average Difference" CA 69 1.075 -0.106 1.078 18393 35 1 6 "Average Difference" CB 64 1.335 -0.350 1.298 18393 36 1 6 "Average Difference" HN 62 0.509 -0.024 0.513 18393 37 1 7 "Average Difference" N 62 2.563 0.578 2.517 18393 38 1 7 "Average Difference" HA 74 0.436 0.039 0.437 18393 39 1 7 "Average Difference" C 69 1.259 0.044 1.267 18393 40 1 7 "Average Difference" CA 69 1.017 -0.105 1.019 18393 41 1 7 "Average Difference" CB 64 1.287 -0.329 1.253 18393 42 1 7 "Average Difference" HN 62 0.556 -0.033 0.560 18393 43 1 8 "Average Difference" N 62 2.790 0.402 2.784 18393 44 1 8 "Average Difference" HA 74 0.442 0.048 0.442 18393 45 1 8 "Average Difference" C 69 1.240 0.075 1.247 18393 46 1 8 "Average Difference" CA 69 0.957 -0.109 0.958 18393 47 1 8 "Average Difference" CB 64 1.224 -0.309 1.194 18393 48 1 8 "Average Difference" HN 62 0.544 -0.011 0.549 18393 49 1 9 "Average Difference" N 62 2.787 0.553 2.754 18393 50 1 9 "Average Difference" HA 74 0.431 0.055 0.430 18393 51 1 9 "Average Difference" C 69 1.197 -0.004 1.206 18393 52 1 9 "Average Difference" CA 69 0.987 -0.161 0.981 18393 53 1 9 "Average Difference" CB 64 1.274 -0.260 1.257 18393 54 1 9 "Average Difference" HN 62 0.535 -0.033 0.539 18393 55 1 10 "Average Difference" N 62 2.920 0.389 2.917 18393 56 1 10 "Average Difference" HA 74 0.434 0.042 0.435 18393 57 1 10 "Average Difference" C 69 1.307 0.107 1.312 18393 58 1 10 "Average Difference" CA 69 1.048 -0.055 1.054 18393 59 1 10 "Average Difference" CB 64 1.301 -0.313 1.273 18393 60 1 10 "Average Difference" HN 62 0.566 -0.055 0.568 18393 61 1 11 "Average Difference" N 62 2.805 0.351 2.806 18393 62 1 11 "Average Difference" HA 74 0.435 0.046 0.435 18393 63 1 11 "Average Difference" C 69 1.276 0.092 1.282 18393 64 1 11 "Average Difference" CA 69 0.962 -0.150 0.957 18393 65 1 11 "Average Difference" CB 64 1.332 -0.377 1.287 18393 66 1 11 "Average Difference" HN 62 0.550 -0.046 0.552 18393 67 1 12 "Average Difference" N 62 2.767 0.416 2.757 18393 68 1 12 "Average Difference" HA 74 0.433 0.044 0.434 18393 69 1 12 "Average Difference" C 69 1.302 0.053 1.311 18393 70 1 12 "Average Difference" CA 69 1.061 -0.136 1.060 18393 71 1 12 "Average Difference" CB 64 1.278 -0.336 1.243 18393 72 1 12 "Average Difference" HN 62 0.541 -0.076 0.541 18393 73 1 13 "Average Difference" N 62 2.638 0.461 2.619 18393 74 1 13 "Average Difference" HA 74 0.412 0.028 0.414 18393 75 1 13 "Average Difference" C 69 1.254 0.029 1.262 18393 76 1 13 "Average Difference" CA 69 0.999 -0.133 0.998 18393 77 1 13 "Average Difference" CB 64 1.216 -0.312 1.184 18393 78 1 13 "Average Difference" HN 62 0.512 -0.035 0.515 18393 79 1 14 "Average Difference" N 62 2.670 0.178 2.686 18393 80 1 14 "Average Difference" HA 74 0.447 0.044 0.448 18393 81 1 14 "Average Difference" C 69 1.343 0.118 1.347 18393 82 1 14 "Average Difference" CA 69 1.037 -0.077 1.042 18393 83 1 14 "Average Difference" CB 64 1.295 -0.361 1.254 18393 84 1 14 "Average Difference" HN 62 0.567 -0.043 0.570 18393 85 1 15 "Average Difference" N 62 3.020 0.275 3.032 18393 86 1 15 "Average Difference" HA 74 0.411 0.019 0.414 18393 87 1 15 "Average Difference" C 69 1.277 0.063 1.284 18393 88 1 15 "Average Difference" CA 69 0.986 -0.079 0.990 18393 89 1 15 "Average Difference" CB 64 1.222 -0.382 1.170 18393 90 1 15 "Average Difference" HN 62 0.551 -0.079 0.550 18393 91 1 16 "Average Difference" N 62 2.682 0.614 2.632 18393 92 1 16 "Average Difference" HA 74 0.440 0.007 0.443 18393 93 1 16 "Average Difference" C 69 1.283 0.136 1.285 18393 94 1 16 "Average Difference" CA 69 1.132 -0.019 1.140 18393 95 1 16 "Average Difference" CB 64 1.234 -0.353 1.192 18393 96 1 16 "Average Difference" HN 62 0.538 -0.028 0.542 18393 97 1 17 "Average Difference" N 62 2.932 0.509 2.911 18393 98 1 17 "Average Difference" HA 74 0.437 0.038 0.438 18393 99 1 17 "Average Difference" C 69 1.297 0.114 1.302 18393 100 1 17 "Average Difference" CA 69 1.031 -0.111 1.033 18393 101 1 17 "Average Difference" CB 64 1.229 -0.312 1.199 18393 102 1 17 "Average Difference" HN 62 0.527 -0.042 0.529 18393 103 1 18 "Average Difference" N 62 2.897 0.624 2.852 18393 104 1 18 "Average Difference" HA 74 0.457 0.042 0.458 18393 105 1 18 "Average Difference" C 69 1.212 0.058 1.219 18393 106 1 18 "Average Difference" CA 69 1.083 -0.107 1.086 18393 107 1 18 "Average Difference" CB 64 1.218 -0.308 1.188 18393 108 1 18 "Average Difference" HN 62 0.545 -0.002 0.549 18393 109 1 19 "Average Difference" N 62 2.750 0.165 2.767 18393 110 1 19 "Average Difference" HA 74 0.406 0.012 0.408 18393 111 1 19 "Average Difference" C 69 1.313 0.009 1.322 18393 112 1 19 "Average Difference" CA 69 1.058 -0.046 1.065 18393 113 1 19 "Average Difference" CB 64 1.201 -0.295 1.174 18393 114 1 19 "Average Difference" HN 62 0.528 -0.053 0.530 18393 115 1 20 "Average Difference" N 62 2.964 0.311 2.972 18393 116 1 20 "Average Difference" HA 74 0.428 0.040 0.429 18393 117 1 20 "Average Difference" C 69 1.288 0.010 1.297 18393 118 1 20 "Average Difference" CA 69 1.042 -0.132 1.041 18393 119 1 20 "Average Difference" CB 64 1.287 -0.295 1.263 18393 120 1 20 "Average Difference" HN 62 0.537 -0.052 0.539 18393 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 18393 _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 ASP N N 16 119.381 119.381 121.726 -2.345 18393 2 1 . 1 1 2 2 ASP HA H 16 4.340 4.340 4.458 -0.118 18393 3 1 . 1 1 2 2 ASP C C 16 178.935 178.935 178.065 0.870 18393 4 1 . 1 1 2 2 ASP CA C 16 57.708 57.708 57.408 0.300 18393 5 1 . 1 1 2 2 ASP CB C 16 40.681 40.681 40.661 0.020 18393 6 1 . 1 1 2 2 ASP H H 16 8.320 8.320 8.653 -0.333 18393 7 1 . 1 1 3 3 ILE N N 17 121.475 121.475 119.896 1.579 18393 8 1 . 1 1 3 3 ILE HA H 17 3.546 3.546 3.825 -0.279 18393 9 1 . 1 1 3 3 ILE C C 17 177.116 177.116 177.904 -0.788 18393 10 1 . 1 1 3 3 ILE CA C 17 65.233 65.233 64.308 0.925 18393 11 1 . 1 1 3 3 ILE CB C 17 37.701 37.701 37.512 0.189 18393 12 1 . 1 1 3 3 ILE H H 17 7.793 7.793 8.135 -0.342 18393 13 1 . 1 1 4 4 CYS N N 18 117.506 117.506 118.380 -0.874 18393 14 1 . 1 1 4 4 CYS HA H 18 3.942 3.942 4.368 -0.426 18393 15 1 . 1 1 4 4 CYS C C 18 176.671 176.671 176.943 -0.272 18393 16 1 . 1 1 4 4 CYS CA C 18 64.624 64.624 62.528 2.096 18393 17 1 . 1 1 4 4 CYS CB C 18 25.965 25.965 26.907 -0.942 18393 18 1 . 1 1 4 4 CYS H H 18 7.823 7.823 7.869 -0.046 18393 19 1 . 1 1 5 5 LEU N N 19 118.832 118.832 122.506 -3.674 18393 20 1 . 1 1 5 5 LEU HA H 19 4.096 4.096 4.162 -0.066 18393 21 1 . 1 1 5 5 LEU C C 19 180.698 180.698 179.380 1.318 18393 22 1 . 1 1 5 5 LEU CA C 19 57.937 57.937 57.903 0.034 18393 23 1 . 1 1 5 5 LEU CB C 19 42.066 42.066 41.886 0.180 18393 24 1 . 1 1 5 5 LEU H H 19 8.101 8.101 8.507 -0.406 18393 25 1 . 1 1 6 6 ARG N N 20 119.443 119.443 119.999 -0.556 18393 26 1 . 1 1 6 6 ARG HA H 20 3.934 3.934 3.974 -0.040 18393 27 1 . 1 1 6 6 ARG C C 20 178.169 178.169 177.771 0.398 18393 28 1 . 1 1 6 6 ARG CA C 20 58.875 58.875 58.617 0.258 18393 29 1 . 1 1 6 6 ARG CB C 20 29.980 29.980 30.069 -0.089 18393 30 1 . 1 1 6 6 ARG H H 20 7.934 7.934 8.279 -0.345 18393 31 1 . 1 1 7 7 LYS N N 21 116.636 116.636 116.292 0.344 18393 32 1 . 1 1 7 7 LYS HA H 21 3.773 3.773 3.873 -0.100 18393 33 1 . 1 1 7 7 LYS C C 21 175.224 175.224 175.550 -0.326 18393 34 1 . 1 1 7 7 LYS CA C 21 55.078 55.078 55.186 -0.108 18393 35 1 . 1 1 7 7 LYS CB C 21 30.517 30.517 30.655 -0.139 18393 36 1 . 1 1 7 7 LYS H H 21 7.553 7.553 7.385 0.168 18393 37 1 . 1 1 8 8 ASN N N 22 114.898 114.898 114.585 0.313 18393 38 1 . 1 1 8 8 ASN HA H 22 4.302 4.302 4.398 -0.096 18393 39 1 . 1 1 8 8 ASN C C 22 174.073 174.073 174.535 -0.462 18393 40 1 . 1 1 8 8 ASN CA C 22 54.433 54.433 54.303 0.130 18393 41 1 . 1 1 8 8 ASN CB C 22 37.017 37.017 37.377 -0.360 18393 42 1 . 1 1 8 8 ASN H H 22 7.640 7.640 7.616 0.024 18393 43 1 . 1 1 9 9 TRP N N 23 120.563 120.563 119.681 0.882 18393 44 1 . 1 1 9 9 TRP HA H 23 5.241 5.241 5.107 0.134 18393 45 1 . 1 1 9 9 TRP C C 23 173.601 173.601 174.976 -1.375 18393 46 1 . 1 1 9 9 TRP CA C 23 51.820 51.820 54.339 -2.519 18393 47 1 . 1 1 9 9 TRP CB C 23 29.574 29.574 28.580 0.994 18393 48 1 . 1 1 9 9 TRP H H 23 8.692 8.692 7.772 0.920 18393 49 1 . 1 1 10 10 PRO HA H 24 4.459 4.459 4.495 -0.036 18393 50 1 . 1 1 10 10 PRO C C 24 175.391 175.391 176.466 -1.075 18393 51 1 . 1 1 10 10 PRO CA C 24 62.098 62.098 62.392 -0.294 18393 52 1 . 1 1 10 10 PRO CB C 24 31.582 31.582 32.591 -1.008 18393 53 1 . 1 1 11 11 MET N N 25 116.562 116.562 117.984 -1.422 18393 54 1 . 1 1 11 11 MET HA H 25 4.751 4.751 4.723 0.028 18393 55 1 . 1 1 11 11 MET C C 25 175.240 175.240 175.110 0.130 18393 56 1 . 1 1 11 11 MET CA C 25 53.800 53.800 53.050 0.750 18393 57 1 . 1 1 11 11 MET CB C 25 30.695 30.695 30.876 -0.181 18393 58 1 . 1 1 11 11 MET H H 25 8.201 8.201 8.422 -0.221 18393 59 1 . 1 1 12 12 PRO HA H 26 4.324 4.324 4.703 -0.379 18393 60 1 . 1 1 12 12 PRO C C 26 174.890 174.890 176.112 -1.222 18393 61 1 . 1 1 12 12 PRO CA C 26 63.481 63.481 62.706 0.775 18393 62 1 . 1 1 12 12 PRO CB C 26 32.725 32.725 32.705 0.020 18393 63 1 . 1 1 13 13 SER N N 27 116.608 116.608 115.627 0.981 18393 64 1 . 1 1 13 13 SER HA H 27 4.781 4.781 4.729 0.052 18393 65 1 . 1 1 13 13 SER C C 27 173.365 173.365 173.513 -0.148 18393 66 1 . 1 1 13 13 SER CA C 27 57.219 57.219 58.242 -1.023 18393 67 1 . 1 1 13 13 SER CB C 27 64.227 64.227 64.058 0.169 18393 68 1 . 1 1 13 13 SER H H 27 8.555 8.555 8.573 -0.018 18393 69 1 . 1 1 14 14 TYR N N 28 125.256 125.256 123.358 1.898 18393 70 1 . 1 1 14 14 TYR HA H 28 5.621 5.621 5.089 0.532 18393 71 1 . 1 1 14 14 TYR C C 28 176.175 176.175 174.711 1.464 18393 72 1 . 1 1 14 14 TYR CA C 28 57.563 57.563 57.863 -0.300 18393 73 1 . 1 1 14 14 TYR CB C 28 41.861 41.861 40.853 1.008 18393 74 1 . 1 1 14 14 TYR H H 28 8.939 8.939 8.619 0.320 18393 75 1 . 1 1 15 15 ARG N N 29 120.540 120.540 125.325 -4.785 18393 76 1 . 1 1 15 15 ARG HA H 29 4.542 4.542 4.708 -0.166 18393 77 1 . 1 1 15 15 ARG C C 29 173.134 173.134 174.843 -1.709 18393 78 1 . 1 1 15 15 ARG CA C 29 54.820 54.820 55.159 -0.340 18393 79 1 . 1 1 15 15 ARG CB C 29 34.721 34.721 33.992 0.729 18393 80 1 . 1 1 15 15 ARG H H 29 9.159 9.159 9.154 0.005 18393 81 1 . 1 1 16 16 CYS HA H 30 2.897 2.897 4.600 -1.703 18393 82 1 . 1 1 16 16 CYS C C 30 174.180 174.180 175.552 -1.372 18393 83 1 . 1 1 16 16 CYS CA C 30 58.719 58.719 59.968 -1.249 18393 84 1 . 1 1 16 16 CYS CB C 30 26.106 26.106 28.111 -2.005 18393 85 1 . 1 1 17 17 VAL N N 31 132.259 132.259 123.654 8.605 18393 86 1 . 1 1 17 17 VAL HA H 31 3.651 3.651 4.122 -0.471 18393 87 1 . 1 1 17 17 VAL C C 31 175.711 175.711 175.678 0.033 18393 88 1 . 1 1 17 17 VAL CA C 31 64.086 64.086 63.764 0.322 18393 89 1 . 1 1 17 17 VAL CB C 31 32.512 32.512 32.241 0.271 18393 90 1 . 1 1 17 17 VAL H H 31 8.659 8.659 8.597 0.062 18393 91 1 . 1 1 18 18 LYS N N 32 118.630 118.630 121.053 -2.423 18393 92 1 . 1 1 18 18 LYS HA H 32 4.360 4.360 4.599 -0.239 18393 93 1 . 1 1 18 18 LYS C C 32 173.015 173.015 174.334 -1.319 18393 94 1 . 1 1 18 18 LYS CA C 32 56.402 56.402 55.623 0.779 18393 95 1 . 1 1 18 18 LYS CB C 32 36.004 36.004 35.073 0.931 18393 96 1 . 1 1 18 18 LYS H H 32 7.673 7.673 8.211 -0.538 18393 97 1 . 1 1 19 19 GLU N N 33 125.800 125.800 125.463 0.337 18393 98 1 . 1 1 19 19 GLU HA H 33 4.853 4.853 4.706 0.147 18393 99 1 . 1 1 19 19 GLU C C 33 175.060 175.060 175.817 -0.757 18393 100 1 . 1 1 19 19 GLU CA C 33 54.564 54.564 55.645 -1.081 18393 101 1 . 1 1 19 19 GLU CB C 33 32.137 32.137 32.603 -0.466 18393 102 1 . 1 1 19 19 GLU H H 33 8.431 8.431 8.640 -0.209 18393 103 1 . 1 1 20 20 GLY N N 34 111.079 111.079 112.351 -1.271 18393 104 1 . 1 1 20 20 GLY C C 34 172.318 172.318 173.451 -1.133 18393 105 1 . 1 1 20 20 GLY CA C 34 44.641 44.641 45.169 -0.528 18393 106 1 . 1 1 20 20 GLY H H 34 8.345 8.345 8.573 -0.228 18393 107 1 . 1 1 21 21 GLY N N 35 107.395 107.395 108.437 -1.042 18393 108 1 . 1 1 21 21 GLY C C 35 171.757 171.757 172.811 -1.054 18393 109 1 . 1 1 21 21 GLY CA C 35 43.737 43.737 44.795 -1.058 18393 110 1 . 1 1 21 21 GLY H H 35 8.184 8.184 7.983 0.201 18393 111 1 . 1 1 22 22 PRO HA H 36 4.476 4.476 4.316 0.160 18393 112 1 . 1 1 22 22 PRO C C 36 177.171 177.171 176.476 0.695 18393 113 1 . 1 1 22 22 PRO CA C 36 62.263 62.263 64.011 -1.748 18393 114 1 . 1 1 22 22 PRO CB C 36 32.261 32.261 31.597 0.664 18393 115 1 . 1 1 23 23 ALA N N 37 120.595 120.595 117.666 2.929 18393 116 1 . 1 1 23 23 ALA HA H 37 3.823 3.823 4.160 -0.338 18393 117 1 . 1 1 23 23 ALA C C 37 178.547 178.547 177.564 0.983 18393 118 1 . 1 1 23 23 ALA CA C 37 55.493 55.493 52.991 2.502 18393 119 1 . 1 1 23 23 ALA CB C 37 18.551 18.551 18.517 0.034 18393 120 1 . 1 1 23 23 ALA H H 37 8.580 8.580 7.842 0.738 18393 121 1 . 1 1 24 24 HIS HA H 38 4.615 4.615 4.548 0.067 18393 122 1 . 1 1 24 24 HIS C C 38 174.890 174.890 174.589 0.301 18393 123 1 . 1 1 24 24 HIS CA C 38 55.861 55.861 56.656 -0.795 18393 124 1 . 1 1 24 24 HIS CB C 38 30.360 30.360 29.505 0.855 18393 125 1 . 1 1 25 25 ALA N N 39 128.271 128.271 122.318 5.953 18393 126 1 . 1 1 25 25 ALA HA H 39 4.474 4.474 4.475 -0.001 18393 127 1 . 1 1 25 25 ALA C C 39 174.351 174.351 176.620 -2.269 18393 128 1 . 1 1 25 25 ALA CA C 39 51.316 51.316 51.419 -0.103 18393 129 1 . 1 1 25 25 ALA CB C 39 18.111 18.111 19.256 -1.145 18393 130 1 . 1 1 25 25 ALA H H 39 7.697 7.697 7.691 0.006 18393 131 1 . 1 1 26 26 LYS N N 40 121.927 121.927 119.999 1.928 18393 132 1 . 1 1 26 26 LYS HA H 40 4.118 4.118 4.255 -0.137 18393 133 1 . 1 1 26 26 LYS C C 40 177.551 177.551 175.188 2.363 18393 134 1 . 1 1 26 26 LYS CA C 40 56.144 56.144 54.721 1.423 18393 135 1 . 1 1 26 26 LYS CB C 40 33.072 33.072 32.334 0.738 18393 136 1 . 1 1 26 26 LYS H H 40 7.990 7.990 7.954 0.036 18393 137 1 . 1 1 27 27 ARG N N 41 119.572 119.572 118.144 1.428 18393 138 1 . 1 1 27 27 ARG HA H 41 4.638 4.638 4.200 0.438 18393 139 1 . 1 1 27 27 ARG C C 41 174.770 174.770 175.504 -0.734 18393 140 1 . 1 1 27 27 ARG CA C 41 53.478 53.478 55.276 -1.798 18393 141 1 . 1 1 27 27 ARG CB C 41 33.390 33.390 30.580 2.810 18393 142 1 . 1 1 27 27 ARG H H 41 8.296 8.296 7.423 0.873 18393 143 1 . 1 1 28 28 PHE N N 42 120.381 120.381 123.411 -3.030 18393 144 1 . 1 1 28 28 PHE HA H 42 5.047 5.047 5.196 -0.149 18393 145 1 . 1 1 28 28 PHE C C 42 174.407 174.407 175.777 -1.370 18393 146 1 . 1 1 28 28 PHE CA C 42 57.026 57.026 55.408 1.617 18393 147 1 . 1 1 28 28 PHE CB C 42 43.129 43.129 40.873 2.256 18393 148 1 . 1 1 28 28 PHE H H 42 9.339 9.339 8.963 0.376 18393 149 1 . 1 1 29 29 THR N N 43 117.999 117.999 119.023 -1.024 18393 150 1 . 1 1 29 29 THR HA H 43 4.704 4.704 4.809 -0.105 18393 151 1 . 1 1 29 29 THR C C 43 173.713 173.713 172.878 0.835 18393 152 1 . 1 1 29 29 THR CA C 43 62.117 62.117 61.726 0.391 18393 153 1 . 1 1 29 29 THR CB C 43 70.104 70.104 70.837 -0.733 18393 154 1 . 1 1 29 29 THR H H 43 8.949 8.949 9.058 -0.109 18393 155 1 . 1 1 30 30 PHE N N 44 129.592 129.592 126.579 3.013 18393 156 1 . 1 1 30 30 PHE HA H 44 5.395 5.395 4.987 0.408 18393 157 1 . 1 1 30 30 PHE C C 44 173.221 173.221 172.806 0.415 18393 158 1 . 1 1 30 30 PHE CA C 44 56.423 56.423 56.100 0.323 18393 159 1 . 1 1 30 30 PHE CB C 44 43.917 43.917 42.611 1.306 18393 160 1 . 1 1 30 30 PHE H H 44 10.048 10.048 8.814 1.234 18393 161 1 . 1 1 31 31 GLY N N 45 105.921 105.921 109.312 -3.391 18393 162 1 . 1 1 31 31 GLY C C 45 172.774 172.774 171.641 1.133 18393 163 1 . 1 1 31 31 GLY CA C 45 43.538 43.538 43.355 0.183 18393 164 1 . 1 1 31 31 GLY H H 45 9.290 9.290 7.850 1.440 18393 165 1 . 1 1 32 32 VAL N N 46 121.311 121.311 121.377 -0.066 18393 166 1 . 1 1 32 32 VAL HA H 46 5.350 5.350 4.694 0.656 18393 167 1 . 1 1 32 32 VAL C C 46 171.140 171.140 174.759 -3.619 18393 168 1 . 1 1 32 32 VAL CA C 46 58.832 58.832 59.469 -0.637 18393 169 1 . 1 1 32 32 VAL CB C 46 36.387 36.387 34.307 2.080 18393 170 1 . 1 1 32 32 VAL H H 46 8.906 8.906 7.853 1.053 18393 171 1 . 1 1 33 33 ARG N N 47 122.102 122.102 120.960 1.142 18393 172 1 . 1 1 33 33 ARG HA H 47 4.571 4.571 5.118 -0.547 18393 173 1 . 1 1 33 33 ARG C C 47 173.683 173.683 174.479 -0.796 18393 174 1 . 1 1 33 33 ARG CA C 47 54.958 54.958 54.551 0.407 18393 175 1 . 1 1 33 33 ARG CB C 47 35.716 35.716 33.933 1.783 18393 176 1 . 1 1 33 33 ARG H H 47 8.008 8.008 7.867 0.141 18393 177 1 . 1 1 34 34 VAL N N 48 117.391 117.391 120.494 -3.103 18393 178 1 . 1 1 34 34 VAL HA H 48 4.787 4.787 4.508 0.279 18393 179 1 . 1 1 34 34 VAL C C 48 172.777 172.777 173.623 -0.846 18393 180 1 . 1 1 34 34 VAL CA C 48 59.970 59.970 60.326 -0.356 18393 181 1 . 1 1 34 34 VAL CB C 48 36.312 36.312 36.107 0.205 18393 182 1 . 1 1 34 34 VAL H H 48 8.103 8.103 9.127 -1.024 18393 183 1 . 1 1 35 35 ASN N N 49 127.065 127.065 121.922 5.143 18393 184 1 . 1 1 35 35 ASN HA H 49 3.536 3.536 4.382 -0.846 18393 185 1 . 1 1 35 35 ASN C C 49 174.221 174.221 174.127 0.094 18393 186 1 . 1 1 35 35 ASN CA C 49 50.607 50.607 51.545 -0.938 18393 187 1 . 1 1 35 35 ASN CB C 49 34.742 34.742 37.806 -3.064 18393 188 1 . 1 1 35 35 ASN H H 49 8.543 8.543 8.617 -0.074 18393 189 1 . 1 1 36 36 THR N N 50 114.402 114.402 115.814 -1.412 18393 190 1 . 1 1 36 36 THR HA H 50 2.159 2.159 2.935 -0.776 18393 191 1 . 1 1 36 36 THR C C 50 175.168 175.168 175.494 -0.326 18393 192 1 . 1 1 36 36 THR CA C 50 61.126 61.126 61.379 -0.253 18393 193 1 . 1 1 36 36 THR CB C 50 69.987 69.987 68.775 1.212 18393 194 1 . 1 1 36 36 THR H H 50 6.801 6.801 7.801 -1.000 18393 195 1 . 1 1 37 37 SER N N 51 114.587 114.587 120.656 -6.069 18393 196 1 . 1 1 37 37 SER HA H 51 4.105 4.105 4.019 0.086 18393 197 1 . 1 1 37 37 SER C C 51 174.760 174.760 174.891 -0.131 18393 198 1 . 1 1 37 37 SER CA C 51 59.958 59.958 61.327 -1.369 18393 199 1 . 1 1 37 37 SER CB C 51 63.115 63.115 63.130 -0.014 18393 200 1 . 1 1 37 37 SER H H 51 6.797 6.797 8.499 -1.702 18393 201 1 . 1 1 38 38 ASP N N 52 117.329 117.329 118.021 -0.692 18393 202 1 . 1 1 38 38 ASP HA H 52 4.589 4.589 4.584 0.005 18393 203 1 . 1 1 38 38 ASP C C 52 177.236 177.236 176.616 0.620 18393 204 1 . 1 1 38 38 ASP CA C 52 54.550 54.550 54.803 -0.253 18393 205 1 . 1 1 38 38 ASP CB C 52 40.606 40.606 40.860 -0.254 18393 206 1 . 1 1 38 38 ASP H H 52 8.784 8.784 8.210 0.574 18393 207 1 . 1 1 39 39 ARG N N 53 118.330 118.330 119.021 -0.691 18393 208 1 . 1 1 39 39 ARG HA H 53 4.496 4.496 4.506 -0.010 18393 209 1 . 1 1 39 39 ARG C C 53 176.062 176.062 176.153 -0.091 18393 210 1 . 1 1 39 39 ARG CA C 53 55.050 55.050 56.028 -0.978 18393 211 1 . 1 1 39 39 ARG CB C 53 31.441 31.441 33.367 -1.926 18393 212 1 . 1 1 39 39 ARG H H 53 7.666 7.666 7.983 -0.317 18393 213 1 . 1 1 40 40 GLY N N 54 110.510 110.510 107.159 3.351 18393 214 1 . 1 1 40 40 GLY C C 54 177.680 177.680 172.550 5.130 18393 215 1 . 1 1 40 40 GLY CA C 54 44.677 44.677 44.223 0.454 18393 216 1 . 1 1 40 40 GLY H H 54 7.248 7.248 7.842 -0.594 18393 217 1 . 1 1 41 41 TRP N N 55 123.328 123.328 123.268 0.060 18393 218 1 . 1 1 41 41 TRP HA H 55 4.919 4.919 4.753 0.166 18393 219 1 . 1 1 41 41 TRP C C 55 178.873 178.873 177.411 1.462 18393 220 1 . 1 1 41 41 TRP CA C 55 58.117 58.117 57.523 0.593 18393 221 1 . 1 1 41 41 TRP CB C 55 29.774 29.774 29.467 0.307 18393 222 1 . 1 1 41 41 TRP H H 55 8.289 8.289 8.293 -0.004 18393 223 1 . 1 1 42 42 THR N N 56 114.627 114.627 117.896 -3.269 18393 224 1 . 1 1 42 42 THR HA H 56 4.329 4.329 4.319 0.010 18393 225 1 . 1 1 42 42 THR C C 56 175.261 175.261 174.641 0.620 18393 226 1 . 1 1 42 42 THR CA C 56 61.698 61.698 61.444 0.254 18393 227 1 . 1 1 42 42 THR CB C 56 72.359 72.359 69.909 2.450 18393 228 1 . 1 1 42 42 THR H H 56 8.972 8.972 8.562 0.410 18393 229 1 . 1 1 43 43 ASP N N 57 120.151 120.151 120.812 -0.661 18393 230 1 . 1 1 43 43 ASP HA H 57 4.445 4.445 4.442 0.003 18393 231 1 . 1 1 43 43 ASP C C 57 175.710 175.710 176.323 -0.613 18393 232 1 . 1 1 43 43 ASP CA C 57 55.377 55.377 54.672 0.705 18393 233 1 . 1 1 43 43 ASP CB C 57 40.872 40.872 41.206 -0.334 18393 234 1 . 1 1 43 43 ASP H H 57 8.379 8.379 8.385 -0.006 18393 235 1 . 1 1 44 44 GLU N N 58 122.449 122.449 123.264 -0.815 18393 236 1 . 1 1 44 44 GLU HA H 58 4.465 4.465 4.484 -0.019 18393 237 1 . 1 1 44 44 GLU C C 58 176.412 176.412 176.712 -0.300 18393 238 1 . 1 1 44 44 GLU CA C 58 55.471 55.471 56.798 -1.328 18393 239 1 . 1 1 44 44 GLU CB C 58 31.058 31.058 29.983 1.075 18393 240 1 . 1 1 44 44 GLU H H 58 8.581 8.581 8.563 0.018 18393 241 1 . 1 1 45 45 CYS N N 59 126.725 126.725 127.223 -0.498 18393 242 1 . 1 1 45 45 CYS HA H 59 4.695 4.695 4.499 0.196 18393 243 1 . 1 1 45 45 CYS C C 59 173.364 173.364 174.136 -0.772 18393 244 1 . 1 1 45 45 CYS CA C 59 58.920 58.920 57.734 1.186 18393 245 1 . 1 1 45 45 CYS CB C 59 29.684 29.684 26.086 3.599 18393 246 1 . 1 1 45 45 CYS H H 59 8.671 8.671 8.820 -0.149 18393 247 1 . 1 1 46 46 ILE N N 60 126.614 126.614 126.856 -0.242 18393 248 1 . 1 1 46 46 ILE HA H 60 4.693 4.693 4.277 0.416 18393 249 1 . 1 1 46 46 ILE C C 60 176.175 176.175 176.824 -0.649 18393 250 1 . 1 1 46 46 ILE CA C 60 60.776 60.776 60.651 0.125 18393 251 1 . 1 1 46 46 ILE CB C 60 38.346 38.346 37.615 0.731 18393 252 1 . 1 1 46 46 ILE H H 60 8.735 8.735 8.040 0.695 18393 253 1 . 1 1 47 47 GLY N N 61 112.366 112.366 116.829 -4.463 18393 254 1 . 1 1 47 47 GLY C C 61 171.844 171.844 173.527 -1.683 18393 255 1 . 1 1 47 47 GLY CA C 61 44.283 44.283 44.216 0.067 18393 256 1 . 1 1 47 47 GLY H H 61 8.610 8.610 8.736 -0.126 18393 257 1 . 1 1 48 48 GLU N N 62 115.030 115.030 120.087 -5.057 18393 258 1 . 1 1 48 48 GLU HA H 62 4.545 4.545 4.638 -0.093 18393 259 1 . 1 1 48 48 GLU C C 62 174.927 174.927 174.703 0.224 18393 260 1 . 1 1 48 48 GLU CA C 62 53.882 53.882 54.020 -0.138 18393 261 1 . 1 1 48 48 GLU CB C 62 30.349 30.349 29.996 0.353 18393 262 1 . 1 1 48 48 GLU H H 62 8.214 8.214 8.117 0.098 18393 263 1 . 1 1 49 49 PRO HA H 63 4.864 4.864 4.483 0.381 18393 264 1 . 1 1 49 49 PRO C C 63 178.286 178.286 176.104 2.182 18393 265 1 . 1 1 49 49 PRO CA C 63 62.260 62.260 63.562 -1.302 18393 266 1 . 1 1 49 49 PRO CB C 63 31.267 31.267 31.605 -0.338 18393 267 1 . 1 1 50 50 MET N N 64 123.505 123.505 124.652 -1.147 18393 268 1 . 1 1 50 50 MET HA H 64 5.530 5.530 4.943 0.587 18393 269 1 . 1 1 50 50 MET C C 64 176.337 176.337 174.910 1.427 18393 270 1 . 1 1 50 50 MET CA C 64 51.674 51.674 51.532 0.142 18393 271 1 . 1 1 50 50 MET CB C 64 37.597 37.597 33.956 3.641 18393 272 1 . 1 1 50 50 MET H H 64 9.267 9.267 8.852 0.415 18393 273 1 . 1 1 51 51 PRO HA H 65 5.086 5.086 4.389 0.697 18393 274 1 . 1 1 51 51 PRO C C 65 174.862 174.862 175.755 -0.893 18393 275 1 . 1 1 51 51 PRO CA C 65 63.666 63.666 63.106 0.560 18393 276 1 . 1 1 51 51 PRO CB C 65 32.527 32.527 31.563 0.964 18393 277 1 . 1 1 52 52 SER N N 66 109.598 109.598 112.415 -2.817 18393 278 1 . 1 1 52 52 SER HA H 66 4.813 4.813 4.850 -0.037 18393 279 1 . 1 1 52 52 SER C C 66 173.368 173.368 174.582 -1.214 18393 280 1 . 1 1 52 52 SER CA C 66 55.463 55.463 56.672 -1.209 18393 281 1 . 1 1 52 52 SER CB C 66 66.775 66.775 66.169 0.606 18393 282 1 . 1 1 52 52 SER H H 66 7.165 7.165 7.322 -0.157 18393 283 1 . 1 1 53 53 VAL N N 67 124.347 124.347 124.194 0.153 18393 284 1 . 1 1 53 53 VAL HA H 67 2.830 2.830 3.825 -0.996 18393 285 1 . 1 1 53 53 VAL C C 67 177.116 177.116 176.923 0.193 18393 286 1 . 1 1 53 53 VAL CA C 67 66.829 66.829 65.073 1.756 18393 287 1 . 1 1 53 53 VAL CB C 67 31.324 31.324 31.570 -0.246 18393 288 1 . 1 1 53 53 VAL H H 67 8.522 8.522 8.776 -0.254 18393 289 1 . 1 1 54 54 LYS N N 68 118.639 118.639 119.902 -1.263 18393 290 1 . 1 1 54 54 LYS HA H 68 3.469 3.469 4.036 -0.567 18393 291 1 . 1 1 54 54 LYS C C 68 178.286 178.286 178.506 -0.220 18393 292 1 . 1 1 54 54 LYS CA C 68 60.350 60.350 59.530 0.820 18393 293 1 . 1 1 54 54 LYS CB C 68 32.364 32.364 32.049 0.315 18393 294 1 . 1 1 54 54 LYS H H 68 8.098 8.098 8.096 0.001 18393 295 1 . 1 1 55 55 LYS N N 69 115.388 115.388 118.283 -2.895 18393 296 1 . 1 1 55 55 LYS HA H 69 4.094 4.094 4.347 -0.253 18393 297 1 . 1 1 55 55 LYS C C 69 179.694 179.694 178.540 1.154 18393 298 1 . 1 1 55 55 LYS CA C 69 58.828 58.828 58.439 0.389 18393 299 1 . 1 1 55 55 LYS CB C 69 32.839 32.839 32.128 0.711 18393 300 1 . 1 1 55 55 LYS H H 69 7.499 7.499 7.662 -0.163 18393 301 1 . 1 1 56 56 ALA N N 70 124.226 124.226 124.521 -0.295 18393 302 1 . 1 1 56 56 ALA HA H 70 4.149 4.149 4.182 -0.033 18393 303 1 . 1 1 56 56 ALA C C 70 181.217 181.217 179.555 1.662 18393 304 1 . 1 1 56 56 ALA CA C 70 55.716 55.716 55.314 0.402 18393 305 1 . 1 1 56 56 ALA CB C 70 20.510 20.510 18.531 1.979 18393 306 1 . 1 1 56 56 ALA H H 70 8.296 8.296 8.039 0.257 18393 307 1 . 1 1 57 57 LYS N N 71 120.522 120.522 118.215 2.307 18393 308 1 . 1 1 57 57 LYS HA H 71 3.643 3.643 4.072 -0.429 18393 309 1 . 1 1 57 57 LYS C C 71 177.937 177.937 178.815 -0.878 18393 310 1 . 1 1 57 57 LYS CA C 71 61.087 61.087 59.987 1.100 18393 311 1 . 1 1 57 57 LYS CB C 71 32.128 32.128 31.855 0.273 18393 312 1 . 1 1 57 57 LYS H H 71 8.385 8.385 7.576 0.809 18393 313 1 . 1 1 58 58 ASP N N 72 119.428 119.428 119.490 -0.062 18393 314 1 . 1 1 58 58 ASP HA H 72 4.306 4.306 4.417 -0.111 18393 315 1 . 1 1 58 58 ASP C C 72 177.042 177.042 178.678 -1.635 18393 316 1 . 1 1 58 58 ASP CA C 72 58.140 58.140 57.540 0.600 18393 317 1 . 1 1 58 58 ASP CB C 72 40.125 40.125 40.673 -0.548 18393 318 1 . 1 1 58 58 ASP H H 72 8.029 8.029 7.865 0.164 18393 319 1 . 1 1 59 59 SER N N 73 111.435 111.435 115.543 -4.108 18393 320 1 . 1 1 59 59 SER HA H 73 4.243 4.243 4.173 0.070 18393 321 1 . 1 1 59 59 SER C C 73 177.000 177.000 176.507 0.493 18393 322 1 . 1 1 59 59 SER CA C 73 63.579 63.579 61.606 1.973 18393 323 1 . 1 1 59 59 SER CB C 73 60.947 60.947 63.027 -2.080 18393 324 1 . 1 1 59 59 SER H H 73 7.785 7.785 8.178 -0.393 18393 325 1 . 1 1 60 60 ALA N N 74 120.363 120.363 123.906 -3.543 18393 326 1 . 1 1 60 60 ALA HA H 74 3.963 3.963 4.020 -0.057 18393 327 1 . 1 1 60 60 ALA C C 74 178.170 178.170 179.366 -1.196 18393 328 1 . 1 1 60 60 ALA CA C 74 55.498 55.498 54.900 0.598 18393 329 1 . 1 1 60 60 ALA CB C 74 17.911 17.911 18.385 -0.474 18393 330 1 . 1 1 60 60 ALA H H 74 7.472 7.472 7.755 -0.283 18393 331 1 . 1 1 61 61 ALA N N 75 118.116 118.116 121.641 -3.525 18393 332 1 . 1 1 61 61 ALA HA H 75 3.948 3.948 4.090 -0.142 18393 333 1 . 1 1 61 61 ALA C C 75 179.341 179.341 179.530 -0.189 18393 334 1 . 1 1 61 61 ALA CA C 75 55.660 55.660 55.228 0.432 18393 335 1 . 1 1 61 61 ALA CB C 75 18.942 18.942 18.458 0.484 18393 336 1 . 1 1 61 61 ALA H H 75 8.653 8.653 8.567 0.086 18393 337 1 . 1 1 62 62 VAL N N 76 115.858 115.858 117.822 -1.964 18393 338 1 . 1 1 62 62 VAL HA H 76 3.656 3.656 3.740 -0.084 18393 339 1 . 1 1 62 62 VAL C C 76 178.051 178.051 177.849 0.202 18393 340 1 . 1 1 62 62 VAL CA C 76 66.651 66.651 66.273 0.378 18393 341 1 . 1 1 62 62 VAL CB C 76 31.847 31.847 31.537 0.310 18393 342 1 . 1 1 62 62 VAL H H 76 8.124 8.124 7.816 0.308 18393 343 1 . 1 1 63 63 LEU N N 77 119.881 119.881 118.841 1.040 18393 344 1 . 1 1 63 63 LEU HA H 77 4.189 4.189 4.185 0.004 18393 345 1 . 1 1 63 63 LEU C C 77 179.692 179.692 179.193 0.499 18393 346 1 . 1 1 63 63 LEU CA C 77 57.584 57.584 57.074 0.510 18393 347 1 . 1 1 63 63 LEU CB C 77 41.916 41.916 41.644 0.272 18393 348 1 . 1 1 63 63 LEU H H 77 7.038 7.038 7.330 -0.292 18393 349 1 . 1 1 64 64 LEU N N 78 122.083 122.083 121.840 0.243 18393 350 1 . 1 1 64 64 LEU HA H 78 4.528 4.528 4.126 0.402 18393 351 1 . 1 1 64 64 LEU C C 78 178.601 178.601 178.631 -0.030 18393 352 1 . 1 1 64 64 LEU CA C 78 57.458 57.458 57.814 -0.356 18393 353 1 . 1 1 64 64 LEU CB C 78 41.254 41.254 41.983 -0.729 18393 354 1 . 1 1 64 64 LEU H H 78 7.694 7.694 8.100 -0.406 18393 355 1 . 1 1 65 65 LEU N N 79 120.548 120.548 118.245 2.303 18393 356 1 . 1 1 65 65 LEU HA H 79 3.864 3.864 4.031 -0.167 18393 357 1 . 1 1 65 65 LEU C C 79 178.861 178.861 178.850 0.011 18393 358 1 . 1 1 65 65 LEU CA C 79 58.477 58.477 58.051 0.426 18393 359 1 . 1 1 65 65 LEU CB C 79 41.618 41.618 41.244 0.374 18393 360 1 . 1 1 65 65 LEU H H 79 8.671 8.671 8.416 0.255 18393 361 1 . 1 1 66 66 GLU N N 80 117.398 117.398 117.739 -0.341 18393 362 1 . 1 1 66 66 GLU HA H 80 4.059 4.059 4.109 -0.050 18393 363 1 . 1 1 66 66 GLU C C 80 178.957 178.957 178.416 0.541 18393 364 1 . 1 1 66 66 GLU CA C 80 59.336 59.336 58.657 0.679 18393 365 1 . 1 1 66 66 GLU CB C 80 29.381 29.381 29.481 -0.100 18393 366 1 . 1 1 66 66 GLU H H 80 7.613 7.613 7.534 0.079 18393 367 1 . 1 1 67 67 LEU N N 81 120.633 120.633 120.622 0.011 18393 368 1 . 1 1 67 67 LEU HA H 81 4.160 4.160 4.121 0.039 18393 369 1 . 1 1 67 67 LEU C C 81 180.162 180.162 179.033 1.129 18393 370 1 . 1 1 67 67 LEU CA C 81 58.113 58.113 57.597 0.516 18393 371 1 . 1 1 67 67 LEU CB C 81 42.057 42.057 42.259 -0.202 18393 372 1 . 1 1 67 67 LEU H H 81 7.656 7.656 7.453 0.203 18393 373 1 . 1 1 68 68 LEU N N 82 118.949 118.949 118.172 0.777 18393 374 1 . 1 1 68 68 LEU HA H 82 4.163 4.163 4.227 -0.064 18393 375 1 . 1 1 68 68 LEU C C 82 178.289 178.289 178.364 -0.075 18393 376 1 . 1 1 68 68 LEU CA C 82 57.855 57.855 57.040 0.815 18393 377 1 . 1 1 68 68 LEU CB C 82 42.018 42.018 41.070 0.948 18393 378 1 . 1 1 68 68 LEU H H 82 8.583 8.583 8.448 0.135 18393 379 1 . 1 1 69 69 ASN N N 83 116.570 116.570 116.270 0.300 18393 380 1 . 1 1 69 69 ASN HA H 83 4.729 4.729 4.705 0.024 18393 381 1 . 1 1 69 69 ASN C C 83 174.784 174.784 175.272 -0.488 18393 382 1 . 1 1 69 69 ASN CA C 83 53.739 53.739 53.876 -0.137 18393 383 1 . 1 1 69 69 ASN CB C 83 39.148 39.148 39.133 0.015 18393 384 1 . 1 1 69 69 ASN H H 83 7.920 7.920 7.738 0.182 18393 385 1 . 1 1 70 70 LYS N N 84 120.363 120.363 119.337 1.026 18393 386 1 . 1 1 70 70 LYS HA H 84 4.404 4.404 4.518 -0.114 18393 387 1 . 1 1 70 70 LYS C C 84 175.910 175.910 175.026 0.883 18393 388 1 . 1 1 70 70 LYS CA C 84 56.836 56.836 55.771 1.066 18393 389 1 . 1 1 70 70 LYS CB C 84 32.999 32.999 32.838 0.161 18393 390 1 . 1 1 70 70 LYS H H 84 7.593 7.593 7.760 -0.167 18393 stop_ save_