data_18118 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18118 _Entry.PDB_ID 2LMI 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 18118 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER N N 2 118.867 118.867 117.066 1.801 18118 2 1 1 . 1 1 2 2 SER HA H 2 4.707 4.707 4.269 0.438 18118 3 1 1 . 1 1 2 2 SER CA C 2 55.678 55.678 59.087 -3.409 18118 4 1 1 . 1 1 2 2 SER CB C 2 61.009 61.009 63.612 -2.603 18118 5 1 1 . 1 1 2 2 SER H H 2 8.195 8.195 8.112 0.083 18118 6 1 1 . 1 1 3 3 LYS N N 3 123.188 123.188 124.642 -1.454 18118 7 1 1 . 1 1 3 3 LYS CA C 3 53.708 53.708 55.964 -2.256 18118 8 1 1 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.316 -1.942 18118 9 1 1 . 1 1 3 3 LYS H H 3 8.427 8.427 8.039 0.388 18118 10 1 1 . 1 1 4 4 LEU N N 4 123.342 123.342 124.913 -1.571 18118 11 1 1 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.693 -0.489 18118 12 1 1 . 1 1 4 4 LEU CA C 4 52.990 52.990 53.411 -0.421 18118 13 1 1 . 1 1 4 4 LEU CB C 4 39.667 39.667 44.571 -4.904 18118 14 1 1 . 1 1 4 4 LEU H H 4 8.311 8.311 7.959 0.352 18118 15 1 1 . 1 1 5 5 GLU N N 5 120.431 120.431 118.641 1.790 18118 16 1 1 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.526 -0.369 18118 17 1 1 . 1 1 5 5 GLU CA C 5 54.230 54.230 55.973 -1.743 18118 18 1 1 . 1 1 5 5 GLU CB C 5 27.847 27.847 30.747 -2.900 18118 19 1 1 . 1 1 5 5 GLU H H 5 8.321 8.321 8.386 -0.065 18118 20 1 1 . 1 1 6 6 GLU N N 6 120.027 120.027 120.915 -0.888 18118 21 1 1 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.394 -0.203 18118 22 1 1 . 1 1 6 6 GLU CA C 6 53.842 53.842 56.653 -2.811 18118 23 1 1 . 1 1 6 6 GLU CB C 6 27.723 27.723 30.572 -2.849 18118 24 1 1 . 1 1 6 6 GLU H H 6 8.177 8.177 8.196 -0.019 18118 25 1 1 . 1 1 7 7 GLU N N 7 121.663 121.663 121.136 0.527 18118 26 1 1 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.503 -0.312 18118 27 1 1 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.149 -2.470 18118 28 1 1 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.886 -2.338 18118 29 1 1 . 1 1 7 7 GLU H H 7 8.228 8.228 8.623 -0.395 18118 30 1 1 . 1 1 8 8 VAL N N 8 120.733 120.733 117.255 3.478 18118 31 1 1 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.044 0.042 18118 32 1 1 . 1 1 8 8 VAL CA C 8 59.139 59.139 63.169 -4.030 18118 33 1 1 . 1 1 8 8 VAL CB C 8 30.700 30.700 32.390 -1.690 18118 34 1 1 . 1 1 8 8 VAL H H 8 8.102 8.102 7.860 0.242 18118 35 1 1 . 1 1 9 9 ASP N N 9 124.190 124.190 122.568 1.622 18118 36 1 1 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.931 -0.374 18118 37 1 1 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.253 -3.073 18118 38 1 1 . 1 1 9 9 ASP CB C 9 38.781 38.781 40.891 -2.110 18118 39 1 1 . 1 1 9 9 ASP H H 9 8.313 8.313 8.240 0.073 18118 40 1 1 . 1 1 10 10 ASP N N 10 120.966 120.966 121.700 -0.734 18118 41 1 1 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.593 -0.214 18118 42 1 1 . 1 1 10 10 ASP CA C 10 51.555 51.555 53.874 -2.319 18118 43 1 1 . 1 1 10 10 ASP CB C 10 39.138 39.138 41.368 -2.230 18118 44 1 1 . 1 1 10 10 ASP H H 10 8.106 8.106 8.542 -0.436 18118 45 1 1 . 1 1 11 11 VAL N N 11 119.321 119.321 120.608 -1.287 18118 46 1 1 . 1 1 11 11 VAL HA H 11 3.919 3.919 4.004 -0.085 18118 47 1 1 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.608 -2.887 18118 48 1 1 . 1 1 11 11 VAL CB C 11 31.300 31.300 33.630 -2.330 18118 49 1 1 . 1 1 11 11 VAL H H 11 7.528 7.528 7.703 -0.175 18118 50 1 1 . 1 1 12 12 PHE N N 12 125.723 125.723 124.970 0.753 18118 51 1 1 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.694 -0.108 18118 52 1 1 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.875 -2.111 18118 53 1 1 . 1 1 12 12 PHE CB C 12 37.698 37.698 39.419 -1.721 18118 54 1 1 . 1 1 12 12 PHE H H 12 8.573 8.573 8.421 0.152 18118 55 1 1 . 1 1 13 13 LEU N N 13 123.923 123.923 122.101 1.822 18118 56 1 1 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.356 -0.124 18118 57 1 1 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.577 -2.216 18118 58 1 1 . 1 1 13 13 LEU CB C 13 44.651 44.651 45.837 -1.186 18118 59 1 1 . 1 1 13 13 LEU H H 13 8.794 8.794 7.414 1.380 18118 60 1 1 . 1 1 14 14 ILE N N 14 114.563 114.563 118.879 -4.316 18118 61 1 1 . 1 1 14 14 ILE HA H 14 4.891 4.891 4.999 -0.108 18118 62 1 1 . 1 1 14 14 ILE CA C 14 55.381 55.381 58.734 -3.353 18118 63 1 1 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.623 -3.305 18118 64 1 1 . 1 1 14 14 ILE H H 14 8.316 8.316 8.180 0.136 18118 65 1 1 . 1 1 15 15 ARG N N 15 122.555 122.555 121.449 1.106 18118 66 1 1 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.340 -0.006 18118 67 1 1 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.200 -2.907 18118 68 1 1 . 1 1 15 15 ARG CB C 15 31.850 31.850 33.494 -1.644 18118 69 1 1 . 1 1 15 15 ARG H H 15 9.231 9.231 8.731 0.500 18118 70 1 1 . 1 1 16 16 ALA N N 16 127.755 127.755 129.486 -1.731 18118 71 1 1 . 1 1 16 16 ALA HA H 16 5.696 5.696 4.611 1.085 18118 72 1 1 . 1 1 16 16 ALA CA C 16 46.775 46.775 51.258 -4.484 18118 73 1 1 . 1 1 16 16 ALA CB C 16 18.337 18.337 20.371 -2.034 18118 74 1 1 . 1 1 16 16 ALA H H 16 9.005 9.005 8.380 0.625 18118 75 1 1 . 1 1 17 17 GLN N N 17 121.076 121.076 116.630 4.446 18118 76 1 1 . 1 1 17 17 GLN HA H 17 5.135 5.135 4.868 0.267 18118 77 1 1 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.995 -3.163 18118 78 1 1 . 1 1 17 17 GLN CB C 17 30.738 30.738 33.006 -2.268 18118 79 1 1 . 1 1 17 17 GLN H H 17 9.557 9.557 8.245 1.312 18118 80 1 1 . 1 1 18 18 GLY N N 18 110.950 110.950 108.850 2.100 18118 81 1 1 . 1 1 18 18 GLY CA C 18 42.822 42.822 44.795 -1.973 18118 82 1 1 . 1 1 18 18 GLY H H 18 8.294 8.294 8.705 -0.411 18118 83 1 1 . 1 1 19 19 LEU N N 19 118.809 118.809 122.654 -3.845 18118 84 1 1 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.543 -0.511 18118 85 1 1 . 1 1 19 19 LEU CA C 19 50.705 50.705 51.712 -1.007 18118 86 1 1 . 1 1 19 19 LEU CB C 19 37.568 37.568 42.212 -4.644 18118 87 1 1 . 1 1 19 19 LEU H H 19 8.292 8.292 7.478 0.814 18118 88 1 1 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.007 0.285 18118 89 1 1 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.189 -2.088 18118 90 1 1 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.405 -3.206 18118 91 1 1 . 1 1 21 21 TRP N N 21 124.383 124.383 118.286 6.097 18118 92 1 1 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.566 0.124 18118 93 1 1 . 1 1 21 21 TRP CA C 21 56.237 56.237 56.078 0.159 18118 94 1 1 . 1 1 21 21 TRP CB C 21 25.965 25.965 28.884 -2.919 18118 95 1 1 . 1 1 21 21 TRP H H 21 8.527 8.527 7.840 0.687 18118 96 1 1 . 1 1 22 22 SER N N 22 109.532 109.532 115.632 -6.100 18118 97 1 1 . 1 1 22 22 SER HA H 22 4.099 4.099 4.590 -0.491 18118 98 1 1 . 1 1 22 22 SER CA C 22 54.162 54.162 58.020 -3.858 18118 99 1 1 . 1 1 22 22 SER CB C 22 60.334 60.334 62.982 -2.648 18118 100 1 1 . 1 1 22 22 SER H H 22 7.436 7.436 7.712 -0.276 18118 101 1 1 . 1 1 23 23 CYS N N 23 119.744 119.744 121.650 -1.906 18118 102 1 1 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.776 -0.310 18118 103 1 1 . 1 1 23 23 CYS CA C 23 55.975 55.975 57.643 -1.668 18118 104 1 1 . 1 1 23 23 CYS CB C 23 25.489 25.489 30.213 -4.724 18118 105 1 1 . 1 1 23 23 CYS H H 23 7.221 7.221 8.222 -1.001 18118 106 1 1 . 1 1 24 24 THR N N 24 115.371 115.371 116.794 -1.423 18118 107 1 1 . 1 1 24 24 THR HA H 24 4.697 4.697 4.672 0.025 18118 108 1 1 . 1 1 24 24 THR CA C 24 57.172 57.172 60.503 -3.331 18118 109 1 1 . 1 1 24 24 THR CB C 24 56.222 56.222 70.808 -14.586 18118 110 1 1 . 1 1 24 24 THR H H 24 9.082 9.082 8.495 0.587 18118 111 1 1 . 1 1 25 25 MET N N 25 118.539 118.539 120.565 -2.026 18118 112 1 1 . 1 1 25 25 MET HA H 25 4.161 4.161 4.108 0.053 18118 113 1 1 . 1 1 25 25 MET CA C 25 57.241 57.241 59.021 -1.780 18118 114 1 1 . 1 1 25 25 MET CB C 25 29.452 29.452 32.840 -3.388 18118 115 1 1 . 1 1 25 25 MET H H 25 8.794 8.794 8.796 -0.002 18118 116 1 1 . 1 1 26 26 GLU N N 26 118.967 118.967 119.340 -0.373 18118 117 1 1 . 1 1 26 26 GLU HA H 26 3.802 3.802 3.966 -0.164 18118 118 1 1 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.373 -3.127 18118 119 1 1 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.805 -2.142 18118 120 1 1 . 1 1 26 26 GLU H H 26 8.462 8.462 8.654 -0.192 18118 121 1 1 . 1 1 27 27 ASP N N 27 118.711 118.711 117.228 1.483 18118 122 1 1 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.393 -0.094 18118 123 1 1 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.396 -2.325 18118 124 1 1 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.271 -1.615 18118 125 1 1 . 1 1 27 27 ASP H H 27 7.812 7.812 8.688 -0.876 18118 126 1 1 . 1 1 28 28 VAL N N 28 120.825 120.825 119.675 1.150 18118 127 1 1 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.817 -0.373 18118 128 1 1 . 1 1 28 28 VAL CA C 28 64.841 64.841 65.810 -0.969 18118 129 1 1 . 1 1 28 28 VAL CB C 28 29.052 29.052 31.832 -2.780 18118 130 1 1 . 1 1 28 28 VAL H H 28 7.528 7.528 7.729 -0.201 18118 131 1 1 . 1 1 29 29 LEU N N 29 120.586 120.586 120.486 0.100 18118 132 1 1 . 1 1 29 29 LEU HA H 29 3.778 3.778 4.025 -0.247 18118 133 1 1 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.991 -3.009 18118 134 1 1 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.723 -2.769 18118 135 1 1 . 1 1 29 29 LEU H H 29 8.399 8.399 8.052 0.347 18118 136 1 1 . 1 1 30 30 ASN N N 30 114.059 114.059 116.785 -2.726 18118 137 1 1 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.410 -0.012 18118 138 1 1 . 1 1 30 30 ASN CA C 30 52.480 52.480 55.802 -3.322 18118 139 1 1 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.189 -2.057 18118 140 1 1 . 1 1 30 30 ASN H H 30 8.156 8.156 8.300 -0.144 18118 141 1 1 . 1 1 31 31 PHE N N 31 123.816 123.816 121.947 1.869 18118 142 1 1 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.060 0.067 18118 143 1 1 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.932 -2.113 18118 144 1 1 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.094 -1.918 18118 145 1 1 . 1 1 31 31 PHE H H 31 8.033 8.033 7.479 0.554 18118 146 1 1 . 1 1 32 32 PHE N N 32 115.681 115.681 114.872 0.809 18118 147 1 1 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.773 -0.120 18118 148 1 1 . 1 1 32 32 PHE CA C 32 54.039 54.039 55.847 -1.808 18118 149 1 1 . 1 1 32 32 PHE CB C 32 35.047 35.047 37.293 -2.246 18118 150 1 1 . 1 1 32 32 PHE H H 32 7.622 7.622 8.128 -0.506 18118 151 1 1 . 1 1 33 33 SER N N 33 113.797 113.797 116.946 -3.149 18118 152 1 1 . 1 1 33 33 SER HA H 33 4.111 4.111 4.274 -0.163 18118 153 1 1 . 1 1 33 33 SER CA C 33 59.041 59.041 60.508 -1.467 18118 154 1 1 . 1 1 33 33 SER CB C 33 60.339 60.339 63.572 -3.233 18118 155 1 1 . 1 1 33 33 SER H H 33 6.834 6.834 7.612 -0.778 18118 156 1 1 . 1 1 34 34 ASP N N 34 119.155 119.155 120.029 -0.874 18118 157 1 1 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.724 -0.143 18118 158 1 1 . 1 1 34 34 ASP CA C 34 51.606 51.606 54.800 -3.195 18118 159 1 1 . 1 1 34 34 ASP CB C 34 37.727 37.727 41.164 -3.437 18118 160 1 1 . 1 1 34 34 ASP H H 34 8.717 8.717 8.598 0.119 18118 161 1 1 . 1 1 35 35 CYS N N 35 117.269 117.269 116.327 0.942 18118 162 1 1 . 1 1 35 35 CYS HA H 35 4.508 4.508 5.031 -0.523 18118 163 1 1 . 1 1 35 35 CYS CA C 35 54.961 54.961 56.934 -1.973 18118 164 1 1 . 1 1 35 35 CYS CB C 35 27.986 27.986 31.117 -3.131 18118 165 1 1 . 1 1 35 35 CYS H H 35 8.009 8.009 7.666 0.343 18118 166 1 1 . 1 1 36 36 ARG N N 36 123.980 123.980 121.961 2.019 18118 167 1 1 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.602 -0.313 18118 168 1 1 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.839 -2.111 18118 169 1 1 . 1 1 36 36 ARG CB C 36 26.279 26.279 31.347 -5.068 18118 170 1 1 . 1 1 36 36 ARG H H 36 8.666 8.666 8.715 -0.049 18118 171 1 1 . 1 1 37 37 ILE N N 37 128.014 128.014 125.887 2.127 18118 172 1 1 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.074 0.138 18118 173 1 1 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.369 -2.790 18118 174 1 1 . 1 1 37 37 ILE CB C 37 36.026 36.026 39.183 -3.157 18118 175 1 1 . 1 1 37 37 ILE H H 37 8.084 8.084 8.795 -0.711 18118 176 1 1 . 1 1 38 38 ARG N N 38 133.264 133.264 128.155 5.109 18118 177 1 1 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.091 -0.246 18118 178 1 1 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.355 -2.588 18118 179 1 1 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.604 -2.775 18118 180 1 1 . 1 1 38 38 ARG H H 38 8.662 8.662 8.350 0.312 18118 181 1 1 . 1 1 39 39 ASN N N 39 117.723 117.723 120.347 -2.624 18118 182 1 1 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.411 -0.229 18118 183 1 1 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.525 -2.823 18118 184 1 1 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.508 -2.662 18118 185 1 1 . 1 1 39 39 ASN H H 39 8.992 8.992 9.355 -0.363 18118 186 1 1 . 1 1 40 40 GLY N N 40 108.314 108.314 107.562 0.752 18118 187 1 1 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.656 -2.373 18118 188 1 1 . 1 1 40 40 GLY H H 40 7.949 7.949 8.220 -0.271 18118 189 1 1 . 1 1 41 41 GLU N N 41 124.398 124.398 120.101 4.297 18118 190 1 1 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.492 -0.680 18118 191 1 1 . 1 1 41 41 GLU CA C 41 56.741 56.741 56.361 0.380 18118 192 1 1 . 1 1 41 41 GLU CB C 41 26.718 26.718 31.357 -4.639 18118 193 1 1 . 1 1 41 41 GLU H H 41 9.235 9.235 8.048 1.187 18118 194 1 1 . 1 1 42 42 ASN N N 42 113.155 113.155 120.024 -6.869 18118 195 1 1 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.658 -0.151 18118 196 1 1 . 1 1 42 42 ASN CA C 42 51.901 51.901 55.458 -3.557 18118 197 1 1 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.926 -2.861 18118 198 1 1 . 1 1 42 42 ASN H H 42 7.523 7.523 8.069 -0.545 18118 199 1 1 . 1 1 43 43 GLY N N 43 109.898 109.898 106.269 3.629 18118 200 1 1 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.675 -2.114 18118 201 1 1 . 1 1 43 43 GLY H H 43 8.131 8.131 7.721 0.410 18118 202 1 1 . 1 1 44 44 ILE N N 44 119.116 119.116 122.428 -3.312 18118 203 1 1 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.378 -0.601 18118 204 1 1 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.922 -4.642 18118 205 1 1 . 1 1 44 44 ILE CB C 44 36.145 36.145 38.278 -2.133 18118 206 1 1 . 1 1 44 44 ILE H H 44 6.715 6.715 7.421 -0.706 18118 207 1 1 . 1 1 45 45 HIS N N 45 124.064 124.064 128.200 -4.136 18118 208 1 1 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.907 -0.024 18118 209 1 1 . 1 1 45 45 HIS CA C 45 49.681 49.681 55.415 -5.734 18118 210 1 1 . 1 1 45 45 HIS CB C 45 25.934 25.934 33.715 -7.781 18118 211 1 1 . 1 1 45 45 HIS H H 45 8.493 8.493 9.494 -1.001 18118 212 1 1 . 1 1 46 46 PHE N N 46 123.886 123.886 122.702 1.184 18118 213 1 1 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.960 -0.397 18118 214 1 1 . 1 1 46 46 PHE CA C 46 57.122 57.122 55.849 1.273 18118 215 1 1 . 1 1 46 46 PHE CB C 46 36.299 36.299 40.103 -3.804 18118 216 1 1 . 1 1 46 46 PHE H H 46 9.014 9.014 7.831 1.183 18118 217 1 1 . 1 1 47 47 LEU N N 47 124.343 124.343 127.170 -2.827 18118 218 1 1 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.423 0.081 18118 219 1 1 . 1 1 47 47 LEU CA C 47 51.885 51.885 54.230 -2.345 18118 220 1 1 . 1 1 47 47 LEU CB C 47 38.896 38.896 39.944 -1.048 18118 221 1 1 . 1 1 47 47 LEU H H 47 8.066 8.066 8.906 -0.840 18118 222 1 1 . 1 1 48 48 LEU N N 48 122.809 122.809 119.738 3.071 18118 223 1 1 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.566 0.259 18118 224 1 1 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.514 -2.583 18118 225 1 1 . 1 1 48 48 LEU CB C 48 41.655 41.655 43.771 -2.116 18118 226 1 1 . 1 1 48 48 LEU H H 48 8.754 8.754 7.644 1.110 18118 227 1 1 . 1 1 49 49 ASN N N 49 119.420 119.420 119.018 0.402 18118 228 1 1 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.787 0.004 18118 229 1 1 . 1 1 49 49 ASN CA C 49 48.595 48.595 53.031 -4.436 18118 230 1 1 . 1 1 49 49 ASN CB C 49 36.735 36.735 40.374 -3.639 18118 231 1 1 . 1 1 49 49 ASN H H 49 8.757 8.757 8.404 0.353 18118 232 1 1 . 1 1 50 50 ARG N N 50 119.367 119.367 121.135 -1.768 18118 233 1 1 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.165 -0.139 18118 234 1 1 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.247 -2.329 18118 235 1 1 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.728 -2.534 18118 236 1 1 . 1 1 50 50 ARG H H 50 8.618 8.618 8.839 -0.221 18118 237 1 1 . 1 1 51 51 ASP N N 51 116.650 116.650 117.168 -0.518 18118 238 1 1 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.751 -0.166 18118 239 1 1 . 1 1 51 51 ASP CA C 51 51.280 51.280 52.952 -1.671 18118 240 1 1 . 1 1 51 51 ASP CB C 51 38.544 38.544 41.967 -3.423 18118 241 1 1 . 1 1 51 51 ASP H H 51 7.577 7.577 8.045 -0.468 18118 242 1 1 . 1 1 52 52 GLY N N 52 107.719 107.719 108.535 -0.816 18118 243 1 1 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.892 -2.551 18118 244 1 1 . 1 1 52 52 GLY H H 52 8.171 8.171 8.330 -0.159 18118 245 1 1 . 1 1 53 53 LYS N N 53 119.174 119.174 121.599 -2.425 18118 246 1 1 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.440 -0.021 18118 247 1 1 . 1 1 53 53 LYS CA C 53 51.788 51.788 56.101 -4.313 18118 248 1 1 . 1 1 53 53 LYS CB C 53 30.976 30.976 30.485 0.491 18118 249 1 1 . 1 1 53 53 LYS H H 53 7.750 7.750 7.788 -0.038 18118 250 1 1 . 1 1 54 54 ARG N N 54 121.126 121.126 123.245 -2.119 18118 251 1 1 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.542 -0.373 18118 252 1 1 . 1 1 54 54 ARG CA C 54 54.949 54.949 56.965 -2.016 18118 253 1 1 . 1 1 54 54 ARG CB C 54 28.054 28.054 32.229 -4.175 18118 254 1 1 . 1 1 54 54 ARG H H 54 8.570 8.570 8.325 0.245 18118 255 1 1 . 1 1 55 55 ARG N N 55 121.856 121.856 117.368 4.488 18118 256 1 1 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.592 -0.551 18118 257 1 1 . 1 1 55 55 ARG CA C 55 53.172 53.172 54.920 -1.748 18118 258 1 1 . 1 1 55 55 ARG CB C 55 29.692 29.692 32.910 -3.219 18118 259 1 1 . 1 1 55 55 ARG H H 55 8.352 8.352 8.007 0.345 18118 260 1 1 . 1 1 56 56 GLY N N 56 108.554 108.554 107.096 1.458 18118 261 1 1 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.928 -1.467 18118 262 1 1 . 1 1 56 56 GLY H H 56 8.683 8.683 8.406 0.277 18118 263 1 1 . 1 1 57 57 ASP N N 57 117.136 117.136 117.745 -0.609 18118 264 1 1 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.235 0.522 18118 265 1 1 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.258 -3.014 18118 266 1 1 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.057 -2.792 18118 267 1 1 . 1 1 57 57 ASP H H 57 8.018 8.018 7.779 0.239 18118 268 1 1 . 1 1 58 58 ALA N N 58 122.425 122.425 120.007 2.418 18118 269 1 1 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.757 0.348 18118 270 1 1 . 1 1 58 58 ALA CA C 58 48.358 48.358 50.737 -2.379 18118 271 1 1 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.634 -3.190 18118 272 1 1 . 1 1 58 58 ALA H H 58 9.137 9.137 7.968 1.169 18118 273 1 1 . 1 1 59 59 LEU N N 59 121.454 121.454 119.741 1.713 18118 274 1 1 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.260 -0.013 18118 275 1 1 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.283 -2.925 18118 276 1 1 . 1 1 59 59 LEU CB C 59 42.166 42.166 45.479 -3.313 18118 277 1 1 . 1 1 59 59 LEU H H 59 8.604 8.604 8.912 -0.308 18118 278 1 1 . 1 1 60 60 ILE N N 60 123.974 123.974 122.993 0.981 18118 279 1 1 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.678 0.160 18118 280 1 1 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.869 -1.485 18118 281 1 1 . 1 1 60 60 ILE CB C 60 38.147 38.147 39.029 -0.881 18118 282 1 1 . 1 1 60 60 ILE H H 60 9.081 9.081 8.833 0.248 18118 283 1 1 . 1 1 61 61 GLU N N 61 126.177 126.177 127.535 -1.358 18118 284 1 1 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.383 0.162 18118 285 1 1 . 1 1 61 61 GLU CA C 61 52.464 52.464 56.691 -4.227 18118 286 1 1 . 1 1 61 61 GLU CB C 61 29.517 29.517 29.828 -0.312 18118 287 1 1 . 1 1 61 61 GLU H H 61 8.832 8.832 8.859 -0.027 18118 288 1 1 . 1 1 62 62 MET N N 62 121.191 121.191 126.779 -5.588 18118 289 1 1 . 1 1 62 62 MET HA H 62 5.131 5.131 4.462 0.669 18118 290 1 1 . 1 1 62 62 MET CA C 62 49.938 49.938 55.061 -5.123 18118 291 1 1 . 1 1 62 62 MET CB C 62 30.874 30.874 34.718 -3.844 18118 292 1 1 . 1 1 62 62 MET H H 62 8.854 8.854 7.946 0.908 18118 293 1 1 . 1 1 63 63 GLU N N 63 117.598 117.598 122.507 -4.909 18118 294 1 1 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.130 -0.059 18118 295 1 1 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.728 -1.573 18118 296 1 1 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.428 -2.348 18118 297 1 1 . 1 1 63 63 GLU H H 63 8.092 8.092 8.604 -0.512 18118 298 1 1 . 1 1 64 64 SER N N 64 109.627 109.627 110.051 -0.424 18118 299 1 1 . 1 1 64 64 SER HA H 64 4.113 4.113 3.839 0.274 18118 300 1 1 . 1 1 64 64 SER CA C 64 54.607 54.607 56.609 -2.002 18118 301 1 1 . 1 1 64 64 SER CB C 64 65.273 65.273 65.572 -0.299 18118 302 1 1 . 1 1 64 64 SER H H 64 7.710 7.710 7.429 0.281 18118 303 1 1 . 1 1 65 65 GLU N N 65 121.394 121.394 123.144 -1.750 18118 304 1 1 . 1 1 65 65 GLU HA H 65 3.485 3.485 3.937 -0.452 18118 305 1 1 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.384 -4.284 18118 306 1 1 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.911 -3.629 18118 307 1 1 . 1 1 65 65 GLU H H 65 8.364 8.364 8.682 -0.318 18118 308 1 1 . 1 1 66 66 GLN N N 66 118.987 118.987 117.786 1.201 18118 309 1 1 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.009 -0.107 18118 310 1 1 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.085 -2.647 18118 311 1 1 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.229 -2.835 18118 312 1 1 . 1 1 66 66 GLN H H 66 7.979 7.979 8.454 -0.475 18118 313 1 1 . 1 1 67 67 ASP N N 67 118.539 118.539 118.547 -0.008 18118 314 1 1 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.513 -0.179 18118 315 1 1 . 1 1 67 67 ASP CA C 67 55.727 55.727 57.105 -1.377 18118 316 1 1 . 1 1 67 67 ASP CB C 67 41.607 41.607 41.164 0.443 18118 317 1 1 . 1 1 67 67 ASP H H 67 7.325 7.325 8.027 -0.702 18118 318 1 1 . 1 1 68 68 VAL N N 68 119.502 119.502 121.967 -2.465 18118 319 1 1 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.584 -0.409 18118 320 1 1 . 1 1 68 68 VAL CA C 68 64.830 64.830 66.589 -1.759 18118 321 1 1 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.599 -2.765 18118 322 1 1 . 1 1 68 68 VAL H H 68 7.165 7.165 7.427 -0.262 18118 323 1 1 . 1 1 69 69 GLN N N 69 115.899 115.899 118.341 -2.442 18118 324 1 1 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.889 -0.155 18118 325 1 1 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.934 -2.530 18118 326 1 1 . 1 1 69 69 GLN CB C 69 25.212 25.212 28.126 -2.914 18118 327 1 1 . 1 1 69 69 GLN H H 69 7.718 7.718 8.497 -0.779 18118 328 1 1 . 1 1 70 70 LYS N N 70 118.403 118.403 117.845 0.558 18118 329 1 1 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.107 -0.179 18118 330 1 1 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.814 -2.877 18118 331 1 1 . 1 1 70 70 LYS CB C 70 29.946 29.946 32.207 -2.261 18118 332 1 1 . 1 1 70 70 LYS H H 70 7.767 7.767 7.486 0.281 18118 333 1 1 . 1 1 71 71 ALA N N 71 124.650 124.650 121.214 3.436 18118 334 1 1 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.485 -0.458 18118 335 1 1 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.443 -1.700 18118 336 1 1 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.917 -2.803 18118 337 1 1 . 1 1 71 71 ALA H H 71 8.160 8.160 7.715 0.445 18118 338 1 1 . 1 1 72 72 LEU N N 72 116.557 116.557 120.466 -3.909 18118 339 1 1 . 1 1 72 72 LEU HA H 72 3.794 3.794 3.911 -0.117 18118 340 1 1 . 1 1 72 72 LEU CA C 72 54.664 54.664 57.788 -3.124 18118 341 1 1 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.615 -2.782 18118 342 1 1 . 1 1 72 72 LEU H H 72 8.055 8.055 8.419 -0.364 18118 343 1 1 . 1 1 73 73 GLU N N 73 117.807 117.807 117.873 -0.066 18118 344 1 1 . 1 1 73 73 GLU HA H 73 4.090 4.090 3.937 0.153 18118 345 1 1 . 1 1 73 73 GLU CA C 73 55.462 55.462 58.568 -3.106 18118 346 1 1 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.113 -2.307 18118 347 1 1 . 1 1 73 73 GLU H H 73 7.369 7.369 8.037 -0.668 18118 348 1 1 . 1 1 74 74 LYS N N 74 116.715 116.715 117.493 -0.778 18118 349 1 1 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.381 -0.189 18118 350 1 1 . 1 1 74 74 LYS CA C 74 51.741 51.741 55.562 -3.821 18118 351 1 1 . 1 1 74 74 LYS CB C 74 28.464 28.464 32.226 -3.762 18118 352 1 1 . 1 1 74 74 LYS H H 74 7.805 7.805 7.588 0.217 18118 353 1 1 . 1 1 75 75 HIS N N 75 117.177 117.177 117.545 -0.368 18118 354 1 1 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.578 -0.250 18118 355 1 1 . 1 1 75 75 HIS CA C 75 55.811 55.811 55.592 0.219 18118 356 1 1 . 1 1 75 75 HIS CB C 75 29.583 29.583 30.083 -0.500 18118 357 1 1 . 1 1 75 75 HIS H H 75 7.184 7.184 8.076 -0.892 18118 358 1 1 . 1 1 76 76 ARG N N 76 121.753 121.753 116.044 5.709 18118 359 1 1 . 1 1 76 76 ARG HA H 76 4.306 4.306 3.947 0.359 18118 360 1 1 . 1 1 76 76 ARG CA C 76 55.719 55.719 57.472 -1.753 18118 361 1 1 . 1 1 76 76 ARG CB C 76 33.288 33.288 28.568 4.720 18118 362 1 1 . 1 1 76 76 ARG H H 76 9.042 9.042 8.827 0.215 18118 363 1 1 . 1 1 77 77 MET N N 77 117.206 117.206 118.969 -1.763 18118 364 1 1 . 1 1 77 77 MET HA H 77 4.598 4.598 4.471 0.127 18118 365 1 1 . 1 1 77 77 MET CA C 77 52.590 52.590 55.867 -3.277 18118 366 1 1 . 1 1 77 77 MET CB C 77 31.234 31.234 33.634 -2.400 18118 367 1 1 . 1 1 77 77 MET H H 77 7.835 7.835 7.595 0.240 18118 368 1 1 . 1 1 78 78 TYR N N 78 117.960 117.960 115.961 1.999 18118 369 1 1 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.698 -0.096 18118 370 1 1 . 1 1 78 78 TYR CA C 78 56.028 56.028 57.424 -1.396 18118 371 1 1 . 1 1 78 78 TYR CB C 78 37.334 37.334 41.399 -4.065 18118 372 1 1 . 1 1 78 78 TYR H H 78 8.359 8.359 8.287 0.072 18118 373 1 1 . 1 1 79 79 MET N N 79 124.673 124.673 120.855 3.818 18118 374 1 1 . 1 1 79 79 MET HA H 79 4.325 4.325 4.985 -0.660 18118 375 1 1 . 1 1 79 79 MET CA C 79 52.338 52.338 55.012 -2.674 18118 376 1 1 . 1 1 79 79 MET CB C 79 31.907 31.907 32.554 -0.647 18118 377 1 1 . 1 1 79 79 MET H H 79 8.642 8.642 9.031 -0.389 18118 378 1 1 . 1 1 80 80 GLY N N 80 115.191 115.191 111.936 3.255 18118 379 1 1 . 1 1 80 80 GLY CA C 80 44.426 44.426 46.222 -1.796 18118 380 1 1 . 1 1 80 80 GLY H H 80 8.709 8.709 8.479 0.230 18118 381 1 1 . 1 1 81 81 GLN N N 81 121.981 121.981 120.903 1.078 18118 382 1 1 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.529 -0.382 18118 383 1 1 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.618 -2.061 18118 384 1 1 . 1 1 81 81 GLN CB C 81 26.736 26.736 29.880 -3.144 18118 385 1 1 . 1 1 81 81 GLN H H 81 8.598 8.598 8.544 0.054 18118 386 1 1 . 1 1 82 82 ARG N N 82 118.652 118.652 120.116 -1.464 18118 387 1 1 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.522 -0.022 18118 388 1 1 . 1 1 82 82 ARG CA C 82 51.593 51.593 54.670 -3.077 18118 389 1 1 . 1 1 82 82 ARG CB C 82 29.507 29.507 32.771 -3.264 18118 390 1 1 . 1 1 82 82 ARG H H 82 7.660 7.660 8.025 -0.365 18118 391 1 1 . 1 1 84 84 VAL N N 84 125.216 125.216 122.173 3.043 18118 392 1 1 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.166 0.152 18118 393 1 1 . 1 1 84 84 VAL CA C 84 58.647 58.647 60.989 -2.342 18118 394 1 1 . 1 1 84 84 VAL CB C 84 31.015 31.015 34.803 -3.788 18118 395 1 1 . 1 1 84 84 VAL H H 84 8.222 8.222 8.045 0.177 18118 396 1 1 . 1 1 86 86 VAL N N 86 120.000 120.000 124.464 -4.464 18118 397 1 1 . 1 1 86 86 VAL HA H 86 4.807 4.807 4.488 0.319 18118 398 1 1 . 1 1 86 86 VAL CA C 86 58.928 58.928 62.387 -3.459 18118 399 1 1 . 1 1 86 86 VAL CB C 86 33.201 33.201 33.000 0.201 18118 400 1 1 . 1 1 87 87 TYR N N 87 120.377 120.377 124.834 -4.457 18118 401 1 1 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.871 -0.247 18118 402 1 1 . 1 1 87 87 TYR CA C 87 53.444 53.444 57.096 -3.652 18118 403 1 1 . 1 1 87 87 TYR CB C 87 40.105 40.105 42.922 -2.817 18118 404 1 1 . 1 1 87 87 TYR H H 87 8.731 8.731 8.354 0.377 18118 405 1 1 . 1 1 88 88 GLU N N 88 122.304 122.304 121.370 0.934 18118 406 1 1 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.513 -0.163 18118 407 1 1 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.700 -3.060 18118 408 1 1 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.948 -2.518 18118 409 1 1 . 1 1 88 88 GLU H H 88 8.873 8.873 8.841 0.032 18118 410 1 1 . 1 1 89 89 ILE N N 89 125.082 125.082 122.741 2.341 18118 411 1 1 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.359 -0.101 18118 412 1 1 . 1 1 89 89 ILE CA C 89 55.831 55.831 58.582 -2.751 18118 413 1 1 . 1 1 89 89 ILE CB C 89 34.985 34.985 39.121 -4.136 18118 414 1 1 . 1 1 89 89 ILE H H 89 7.983 7.983 7.775 0.208 18118 415 1 1 . 1 1 90 90 ASN N N 90 126.142 126.142 121.555 4.587 18118 416 1 1 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.778 -0.187 18118 417 1 1 . 1 1 90 90 ASN CA C 90 50.615 50.615 53.375 -2.760 18118 418 1 1 . 1 1 90 90 ASN CB C 90 36.638 36.638 39.468 -2.830 18118 419 1 1 . 1 1 90 90 ASN H H 90 8.890 8.890 8.374 0.516 18118 420 1 1 . 1 1 91 91 ASN N N 91 121.333 121.333 122.049 -0.716 18118 421 1 1 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.335 -0.039 18118 422 1 1 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.038 -2.088 18118 423 1 1 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.048 -1.743 18118 424 1 1 . 1 1 91 91 ASN H H 91 8.867 8.867 8.880 -0.013 18118 425 1 1 . 1 1 92 92 GLU N N 92 117.848 117.848 118.220 -0.372 18118 426 1 1 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.051 0.041 18118 427 1 1 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.832 -3.281 18118 428 1 1 . 1 1 92 92 GLU CB C 92 26.767 26.767 28.994 -2.228 18118 429 1 1 . 1 1 92 92 GLU H H 92 8.869 8.869 8.528 0.341 18118 430 1 1 . 1 1 93 93 ASP N N 93 118.819 118.819 116.890 1.929 18118 431 1 1 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.883 -0.231 18118 432 1 1 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.092 -1.955 18118 433 1 1 . 1 1 93 93 ASP CB C 93 39.522 39.522 42.360 -2.838 18118 434 1 1 . 1 1 93 93 ASP H H 93 7.965 7.965 8.095 -0.130 18118 435 1 1 . 1 1 94 94 VAL N N 94 120.480 120.480 120.471 0.009 18118 436 1 1 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.700 -0.426 18118 437 1 1 . 1 1 94 94 VAL CA C 94 64.179 64.179 66.049 -1.870 18118 438 1 1 . 1 1 94 94 VAL CB C 94 29.477 29.477 32.065 -2.588 18118 439 1 1 . 1 1 94 94 VAL H H 94 7.406 7.406 7.385 0.021 18118 440 1 1 . 1 1 95 95 ASP N N 95 119.806 119.806 120.083 -0.277 18118 441 1 1 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.288 -0.133 18118 442 1 1 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.906 -2.690 18118 443 1 1 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.663 -2.036 18118 444 1 1 . 1 1 95 95 ASP H H 95 8.342 8.342 7.623 0.719 18118 445 1 1 . 1 1 96 96 ALA N N 96 119.946 119.946 121.617 -1.671 18118 446 1 1 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.145 -0.219 18118 447 1 1 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.409 -2.269 18118 448 1 1 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.484 -2.808 18118 449 1 1 . 1 1 96 96 ALA H H 96 8.162 8.162 8.190 -0.028 18118 450 1 1 . 1 1 97 97 LEU N N 97 119.391 119.391 118.750 0.641 18118 451 1 1 . 1 1 97 97 LEU HA H 97 3.985 3.985 4.029 -0.044 18118 452 1 1 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.337 -2.506 18118 453 1 1 . 1 1 97 97 LEU CB C 97 39.438 39.438 41.996 -2.558 18118 454 1 1 . 1 1 97 97 LEU H H 97 7.679 7.679 7.694 -0.015 18118 455 1 1 . 1 1 98 98 MET N N 98 118.055 118.055 116.841 1.214 18118 456 1 1 . 1 1 98 98 MET HA H 98 4.128 4.128 4.102 0.026 18118 457 1 1 . 1 1 98 98 MET CA C 98 54.606 54.606 58.377 -3.771 18118 458 1 1 . 1 1 98 98 MET CB C 98 27.902 27.902 31.606 -3.704 18118 459 1 1 . 1 1 98 98 MET H H 98 8.504 8.504 7.768 0.736 18118 460 1 1 . 1 1 99 99 LYS N N 99 119.351 119.351 119.728 -0.377 18118 461 1 1 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.003 -0.032 18118 462 1 1 . 1 1 99 99 LYS CA C 99 56.301 56.301 59.425 -3.124 18118 463 1 1 . 1 1 99 99 LYS CB C 99 29.692 29.692 31.875 -2.183 18118 464 1 1 . 1 1 99 99 LYS H H 99 7.986 7.986 7.662 0.324 18118 465 1 1 . 1 1 100 100 SER N N 100 114.964 114.964 114.874 0.090 18118 466 1 1 . 1 1 100 100 SER HA H 100 4.268 4.268 4.257 0.011 18118 467 1 1 . 1 1 100 100 SER CA C 100 57.764 57.764 61.018 -3.254 18118 468 1 1 . 1 1 100 100 SER CB C 100 60.753 60.753 62.877 -2.124 18118 469 1 1 . 1 1 100 100 SER H H 100 7.711 7.711 7.888 -0.177 18118 470 1 1 . 1 1 101 101 LEU N N 101 120.679 120.679 119.469 1.210 18118 471 1 1 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.578 -0.418 18118 472 1 1 . 1 1 101 101 LEU CA C 101 52.893 52.893 53.959 -1.067 18118 473 1 1 . 1 1 101 101 LEU CB C 101 39.541 39.541 42.171 -2.630 18118 474 1 1 . 1 1 101 101 LEU H H 101 7.405 7.405 7.799 -0.394 18118 475 1 1 . 1 1 102 102 GLN N N 102 117.646 117.646 120.223 -2.577 18118 476 1 1 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.252 -0.057 18118 477 1 1 . 1 1 102 102 GLN CA C 102 53.360 53.360 56.118 -2.758 18118 478 1 1 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.696 -1.216 18118 479 1 1 . 1 1 102 102 GLN H H 102 7.588 7.588 8.075 -0.487 18118 480 1 1 . 1 1 103 103 VAL N N 103 120.269 120.269 124.262 -3.993 18118 481 1 1 . 1 1 103 103 VAL HA H 103 4.015 4.015 3.880 0.135 18118 482 1 1 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.234 -2.479 18118 483 1 1 . 1 1 103 103 VAL CB C 103 30.579 30.579 29.167 1.412 18118 484 1 1 . 1 1 103 103 VAL H H 103 7.839 7.839 7.725 0.114 18118 485 1 1 . 1 1 104 104 LYS N N 104 125.201 125.201 123.428 1.773 18118 486 1 1 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.217 0.126 18118 487 1 1 . 1 1 104 104 LYS CA C 104 53.348 53.348 56.977 -3.629 18118 488 1 1 . 1 1 104 104 LYS CB C 104 30.634 30.634 32.843 -2.209 18118 489 1 1 . 1 1 104 104 LYS H H 104 8.364 8.364 7.720 0.644 18118 490 1 1 . 1 1 105 105 SER N N 105 117.664 117.664 120.574 -2.910 18118 491 1 1 . 1 1 105 105 SER HA H 105 4.401 4.401 4.541 -0.140 18118 492 1 1 . 1 1 105 105 SER CA C 105 55.611 55.611 58.121 -2.510 18118 493 1 1 . 1 1 105 105 SER CB C 105 61.286 61.286 61.355 -0.069 18118 494 1 1 . 1 1 105 105 SER H H 105 8.354 8.354 8.434 -0.080 18118 495 1 2 . 1 1 2 2 SER N N 2 118.867 118.867 115.588 3.279 18118 496 1 2 . 1 1 2 2 SER HA H 2 4.707 4.707 5.190 -0.483 18118 497 1 2 . 1 1 2 2 SER CA C 2 55.678 55.678 57.716 -2.038 18118 498 1 2 . 1 1 2 2 SER CB C 2 61.009 61.009 66.887 -5.878 18118 499 1 2 . 1 1 2 2 SER H H 2 8.195 8.195 8.376 -0.181 18118 500 1 2 . 1 1 3 3 LYS N N 3 123.188 123.188 121.248 1.940 18118 501 1 2 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.175 -2.467 18118 502 1 2 . 1 1 3 3 LYS CB C 3 30.374 30.374 33.859 -3.485 18118 503 1 2 . 1 1 3 3 LYS H H 3 8.427 8.427 8.785 -0.358 18118 504 1 2 . 1 1 4 4 LEU N N 4 123.342 123.342 123.686 -0.344 18118 505 1 2 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.858 -0.654 18118 506 1 2 . 1 1 4 4 LEU CA C 4 52.990 52.990 54.659 -1.669 18118 507 1 2 . 1 1 4 4 LEU CB C 4 39.667 39.667 44.208 -4.541 18118 508 1 2 . 1 1 4 4 LEU H H 4 8.311 8.311 8.554 -0.243 18118 509 1 2 . 1 1 5 5 GLU N N 5 120.431 120.431 118.082 2.349 18118 510 1 2 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.530 -0.373 18118 511 1 2 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.163 -1.933 18118 512 1 2 . 1 1 5 5 GLU CB C 5 27.847 27.847 30.927 -3.080 18118 513 1 2 . 1 1 5 5 GLU H H 5 8.321 8.321 8.587 -0.266 18118 514 1 2 . 1 1 6 6 GLU N N 6 120.027 120.027 119.821 0.206 18118 515 1 2 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.456 -0.265 18118 516 1 2 . 1 1 6 6 GLU CA C 6 53.842 53.842 55.974 -2.132 18118 517 1 2 . 1 1 6 6 GLU CB C 6 27.723 27.723 32.964 -5.241 18118 518 1 2 . 1 1 6 6 GLU H H 6 8.177 8.177 7.902 0.275 18118 519 1 2 . 1 1 7 7 GLU N N 7 121.663 121.663 119.808 1.855 18118 520 1 2 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.473 -0.282 18118 521 1 2 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.832 -3.153 18118 522 1 2 . 1 1 7 7 GLU CB C 7 27.548 27.548 30.315 -2.767 18118 523 1 2 . 1 1 7 7 GLU H H 7 8.228 8.228 8.920 -0.692 18118 524 1 2 . 1 1 8 8 VAL N N 8 120.733 120.733 117.000 3.733 18118 525 1 2 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.371 -0.285 18118 526 1 2 . 1 1 8 8 VAL CA C 8 59.139 59.139 60.260 -1.121 18118 527 1 2 . 1 1 8 8 VAL CB C 8 30.700 30.700 33.117 -2.417 18118 528 1 2 . 1 1 8 8 VAL H H 8 8.102 8.102 7.565 0.537 18118 529 1 2 . 1 1 9 9 ASP N N 9 124.190 124.190 120.259 3.931 18118 530 1 2 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.594 -0.037 18118 531 1 2 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.407 -3.227 18118 532 1 2 . 1 1 9 9 ASP CB C 9 38.781 38.781 42.235 -3.454 18118 533 1 2 . 1 1 9 9 ASP H H 9 8.313 8.313 8.436 -0.123 18118 534 1 2 . 1 1 10 10 ASP N N 10 120.966 120.966 120.271 0.695 18118 535 1 2 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.418 -0.039 18118 536 1 2 . 1 1 10 10 ASP CA C 10 51.555 51.555 54.166 -2.611 18118 537 1 2 . 1 1 10 10 ASP CB C 10 39.138 39.138 39.493 -0.355 18118 538 1 2 . 1 1 10 10 ASP H H 10 8.106 8.106 8.445 -0.339 18118 539 1 2 . 1 1 11 11 VAL N N 11 119.321 119.321 120.364 -1.043 18118 540 1 2 . 1 1 11 11 VAL HA H 11 3.919 3.919 4.082 -0.163 18118 541 1 2 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.331 -2.610 18118 542 1 2 . 1 1 11 11 VAL CB C 11 31.300 31.300 32.950 -1.650 18118 543 1 2 . 1 1 11 11 VAL H H 11 7.528 7.528 7.402 0.126 18118 544 1 2 . 1 1 12 12 PHE N N 12 125.723 125.723 129.880 -4.157 18118 545 1 2 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.631 -0.045 18118 546 1 2 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.735 -1.971 18118 547 1 2 . 1 1 12 12 PHE CB C 12 37.698 37.698 37.125 0.573 18118 548 1 2 . 1 1 12 12 PHE H H 12 8.573 8.573 8.494 0.079 18118 549 1 2 . 1 1 13 13 LEU N N 13 123.923 123.923 121.174 2.749 18118 550 1 2 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.292 -0.060 18118 551 1 2 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.797 -2.436 18118 552 1 2 . 1 1 13 13 LEU CB C 13 44.651 44.651 46.207 -1.556 18118 553 1 2 . 1 1 13 13 LEU H H 13 8.794 8.794 7.565 1.229 18118 554 1 2 . 1 1 14 14 ILE N N 14 114.563 114.563 118.555 -3.992 18118 555 1 2 . 1 1 14 14 ILE HA H 14 4.891 4.891 5.046 -0.155 18118 556 1 2 . 1 1 14 14 ILE CA C 14 55.381 55.381 58.744 -3.363 18118 557 1 2 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.749 -3.431 18118 558 1 2 . 1 1 14 14 ILE H H 14 8.316 8.316 8.934 -0.618 18118 559 1 2 . 1 1 15 15 ARG N N 15 122.555 122.555 120.984 1.571 18118 560 1 2 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.405 -0.071 18118 561 1 2 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.123 -2.830 18118 562 1 2 . 1 1 15 15 ARG CB C 15 31.850 31.850 34.562 -2.712 18118 563 1 2 . 1 1 15 15 ARG H H 15 9.231 9.231 9.135 0.096 18118 564 1 2 . 1 1 16 16 ALA N N 16 127.755 127.755 129.172 -1.417 18118 565 1 2 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.414 0.282 18118 566 1 2 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.096 -3.321 18118 567 1 2 . 1 1 16 16 ALA CB C 16 18.337 18.337 22.088 -3.751 18118 568 1 2 . 1 1 16 16 ALA H H 16 9.005 9.005 8.633 0.372 18118 569 1 2 . 1 1 17 17 GLN N N 17 121.076 121.076 119.990 1.086 18118 570 1 2 . 1 1 17 17 GLN HA H 17 5.135 5.135 5.217 -0.082 18118 571 1 2 . 1 1 17 17 GLN CA C 17 51.832 51.832 53.601 -1.769 18118 572 1 2 . 1 1 17 17 GLN CB C 17 30.738 30.738 32.897 -2.159 18118 573 1 2 . 1 1 17 17 GLN H H 17 9.557 9.557 8.896 0.661 18118 574 1 2 . 1 1 18 18 GLY N N 18 110.950 110.950 108.052 2.898 18118 575 1 2 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.231 -2.409 18118 576 1 2 . 1 1 18 18 GLY H H 18 8.294 8.294 8.699 -0.405 18118 577 1 2 . 1 1 19 19 LEU N N 19 118.809 118.809 122.840 -4.031 18118 578 1 2 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.736 -0.704 18118 579 1 2 . 1 1 19 19 LEU CA C 19 50.705 50.705 51.731 -1.026 18118 580 1 2 . 1 1 19 19 LEU CB C 19 37.568 37.568 42.755 -5.187 18118 581 1 2 . 1 1 19 19 LEU H H 19 8.292 8.292 7.633 0.659 18118 582 1 2 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.500 -0.208 18118 583 1 2 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.694 -2.592 18118 584 1 2 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.390 -3.191 18118 585 1 2 . 1 1 21 21 TRP N N 21 124.383 124.383 120.461 3.922 18118 586 1 2 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.301 0.389 18118 587 1 2 . 1 1 21 21 TRP CA C 21 56.237 56.237 58.469 -2.232 18118 588 1 2 . 1 1 21 21 TRP CB C 21 25.965 25.965 29.094 -3.129 18118 589 1 2 . 1 1 21 21 TRP H H 21 8.527 8.527 8.378 0.149 18118 590 1 2 . 1 1 22 22 SER N N 22 109.532 109.532 117.891 -8.359 18118 591 1 2 . 1 1 22 22 SER HA H 22 4.099 4.099 4.394 -0.295 18118 592 1 2 . 1 1 22 22 SER CA C 22 54.162 54.162 58.283 -4.121 18118 593 1 2 . 1 1 22 22 SER CB C 22 60.334 60.334 61.464 -1.130 18118 594 1 2 . 1 1 22 22 SER H H 22 7.436 7.436 8.592 -1.156 18118 595 1 2 . 1 1 23 23 CYS N N 23 119.744 119.744 120.987 -1.243 18118 596 1 2 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.426 0.040 18118 597 1 2 . 1 1 23 23 CYS CA C 23 55.975 55.975 58.639 -2.663 18118 598 1 2 . 1 1 23 23 CYS CB C 23 25.489 25.489 28.575 -3.086 18118 599 1 2 . 1 1 23 23 CYS H H 23 7.221 7.221 7.854 -0.633 18118 600 1 2 . 1 1 24 24 THR N N 24 115.371 115.371 116.821 -1.450 18118 601 1 2 . 1 1 24 24 THR HA H 24 4.697 4.697 4.377 0.320 18118 602 1 2 . 1 1 24 24 THR CA C 24 57.172 57.172 60.352 -3.180 18118 603 1 2 . 1 1 24 24 THR CB C 24 56.222 56.222 70.252 -14.030 18118 604 1 2 . 1 1 24 24 THR H H 24 9.082 9.082 8.224 0.858 18118 605 1 2 . 1 1 25 25 MET N N 25 118.539 118.539 119.413 -0.874 18118 606 1 2 . 1 1 25 25 MET HA H 25 4.161 4.161 4.187 -0.026 18118 607 1 2 . 1 1 25 25 MET CA C 25 57.241 57.241 59.174 -1.933 18118 608 1 2 . 1 1 25 25 MET CB C 25 29.452 29.452 32.021 -2.569 18118 609 1 2 . 1 1 25 25 MET H H 25 8.794 8.794 8.703 0.091 18118 610 1 2 . 1 1 26 26 GLU N N 26 118.967 118.967 120.022 -1.055 18118 611 1 2 . 1 1 26 26 GLU HA H 26 3.802 3.802 3.954 -0.152 18118 612 1 2 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.137 -2.890 18118 613 1 2 . 1 1 26 26 GLU CB C 26 26.663 26.663 29.053 -2.390 18118 614 1 2 . 1 1 26 26 GLU H H 26 8.462 8.462 8.761 -0.299 18118 615 1 2 . 1 1 27 27 ASP N N 27 118.711 118.711 116.239 2.472 18118 616 1 2 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.455 -0.156 18118 617 1 2 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.053 -1.982 18118 618 1 2 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.668 -2.012 18118 619 1 2 . 1 1 27 27 ASP H H 27 7.812 7.812 8.022 -0.210 18118 620 1 2 . 1 1 28 28 VAL N N 28 120.825 120.825 117.707 3.118 18118 621 1 2 . 1 1 28 28 VAL HA H 28 3.444 3.444 4.175 -0.731 18118 622 1 2 . 1 1 28 28 VAL CA C 28 64.841 64.841 62.857 1.984 18118 623 1 2 . 1 1 28 28 VAL CB C 28 29.052 29.052 33.395 -4.343 18118 624 1 2 . 1 1 28 28 VAL H H 28 7.528 7.528 7.628 -0.100 18118 625 1 2 . 1 1 29 29 LEU N N 29 120.586 120.586 122.663 -2.077 18118 626 1 2 . 1 1 29 29 LEU HA H 29 3.778 3.778 4.091 -0.313 18118 627 1 2 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.442 -2.460 18118 628 1 2 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.818 -2.864 18118 629 1 2 . 1 1 29 29 LEU H H 29 8.399 8.399 8.738 -0.339 18118 630 1 2 . 1 1 30 30 ASN N N 30 114.059 114.059 117.052 -2.993 18118 631 1 2 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.457 -0.059 18118 632 1 2 . 1 1 30 30 ASN CA C 30 52.480 52.480 55.471 -2.991 18118 633 1 2 . 1 1 30 30 ASN CB C 30 36.132 36.132 37.807 -1.675 18118 634 1 2 . 1 1 30 30 ASN H H 30 8.156 8.156 7.999 0.157 18118 635 1 2 . 1 1 31 31 PHE N N 31 123.816 123.816 121.068 2.748 18118 636 1 2 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.194 -0.067 18118 637 1 2 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.562 -1.743 18118 638 1 2 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.480 -2.304 18118 639 1 2 . 1 1 31 31 PHE H H 31 8.033 8.033 7.769 0.264 18118 640 1 2 . 1 1 32 32 PHE N N 32 115.681 115.681 115.989 -0.308 18118 641 1 2 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.647 0.006 18118 642 1 2 . 1 1 32 32 PHE CA C 32 54.039 54.039 55.691 -1.652 18118 643 1 2 . 1 1 32 32 PHE CB C 32 35.047 35.047 36.703 -1.656 18118 644 1 2 . 1 1 32 32 PHE H H 32 7.622 7.622 8.448 -0.826 18118 645 1 2 . 1 1 33 33 SER N N 33 113.797 113.797 115.913 -2.116 18118 646 1 2 . 1 1 33 33 SER HA H 33 4.111 4.111 4.464 -0.353 18118 647 1 2 . 1 1 33 33 SER CA C 33 59.041 59.041 59.447 -0.406 18118 648 1 2 . 1 1 33 33 SER CB C 33 60.339 60.339 63.410 -3.071 18118 649 1 2 . 1 1 33 33 SER H H 33 6.834 6.834 7.663 -0.829 18118 650 1 2 . 1 1 34 34 ASP N N 34 119.155 119.155 119.568 -0.413 18118 651 1 2 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.828 -0.247 18118 652 1 2 . 1 1 34 34 ASP CA C 34 51.606 51.606 53.536 -1.930 18118 653 1 2 . 1 1 34 34 ASP CB C 34 37.727 37.727 41.418 -3.691 18118 654 1 2 . 1 1 34 34 ASP H H 34 8.717 8.717 8.406 0.311 18118 655 1 2 . 1 1 35 35 CYS N N 35 117.269 117.269 115.388 1.881 18118 656 1 2 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.778 -0.270 18118 657 1 2 . 1 1 35 35 CYS CA C 35 54.961 54.961 55.828 -0.867 18118 658 1 2 . 1 1 35 35 CYS CB C 35 27.986 27.986 30.526 -2.540 18118 659 1 2 . 1 1 35 35 CYS H H 35 8.009 8.009 7.360 0.649 18118 660 1 2 . 1 1 36 36 ARG N N 36 123.980 123.980 121.370 2.610 18118 661 1 2 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.632 -0.343 18118 662 1 2 . 1 1 36 36 ARG CA C 36 52.728 52.728 55.224 -2.496 18118 663 1 2 . 1 1 36 36 ARG CB C 36 26.279 26.279 31.422 -5.143 18118 664 1 2 . 1 1 36 36 ARG H H 36 8.666 8.666 8.546 0.121 18118 665 1 2 . 1 1 37 37 ILE N N 37 128.014 128.014 125.227 2.787 18118 666 1 2 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.369 -0.158 18118 667 1 2 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.547 -2.968 18118 668 1 2 . 1 1 37 37 ILE CB C 37 36.026 36.026 39.155 -3.129 18118 669 1 2 . 1 1 37 37 ILE H H 37 8.084 8.084 8.608 -0.524 18118 670 1 2 . 1 1 38 38 ARG N N 38 133.264 133.264 128.640 4.624 18118 671 1 2 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.161 -0.316 18118 672 1 2 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.148 -2.381 18118 673 1 2 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.247 -2.418 18118 674 1 2 . 1 1 38 38 ARG H H 38 8.662 8.662 8.615 0.047 18118 675 1 2 . 1 1 39 39 ASN N N 39 117.723 117.723 119.502 -1.779 18118 676 1 2 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.405 -0.223 18118 677 1 2 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.473 -2.771 18118 678 1 2 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.723 -2.877 18118 679 1 2 . 1 1 39 39 ASN H H 39 8.992 8.992 9.122 -0.130 18118 680 1 2 . 1 1 40 40 GLY N N 40 108.314 108.314 108.148 0.166 18118 681 1 2 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.736 -2.453 18118 682 1 2 . 1 1 40 40 GLY H H 40 7.949 7.949 8.618 -0.669 18118 683 1 2 . 1 1 41 41 GLU N N 41 124.398 124.398 121.365 3.033 18118 684 1 2 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.535 -0.723 18118 685 1 2 . 1 1 41 41 GLU CA C 41 56.741 56.741 56.850 -0.109 18118 686 1 2 . 1 1 41 41 GLU CB C 41 26.718 26.718 30.830 -4.112 18118 687 1 2 . 1 1 41 41 GLU H H 41 9.235 9.235 8.044 1.191 18118 688 1 2 . 1 1 42 42 ASN N N 42 113.155 113.155 119.738 -6.583 18118 689 1 2 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.638 -0.131 18118 690 1 2 . 1 1 42 42 ASN CA C 42 51.901 51.901 54.594 -2.693 18118 691 1 2 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.763 -2.698 18118 692 1 2 . 1 1 42 42 ASN H H 42 7.523 7.523 7.787 -0.264 18118 693 1 2 . 1 1 43 43 GLY N N 43 109.898 109.898 105.743 4.155 18118 694 1 2 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.508 -1.947 18118 695 1 2 . 1 1 43 43 GLY H H 43 8.131 8.131 8.165 -0.034 18118 696 1 2 . 1 1 44 44 ILE N N 44 119.116 119.116 123.073 -3.957 18118 697 1 2 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.393 -0.616 18118 698 1 2 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.471 -4.191 18118 699 1 2 . 1 1 44 44 ILE CB C 44 36.145 36.145 38.161 -2.016 18118 700 1 2 . 1 1 44 44 ILE H H 44 6.715 6.715 7.576 -0.861 18118 701 1 2 . 1 1 45 45 HIS N N 45 124.064 124.064 129.589 -5.525 18118 702 1 2 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.919 -0.036 18118 703 1 2 . 1 1 45 45 HIS CA C 45 49.681 49.681 54.683 -5.002 18118 704 1 2 . 1 1 45 45 HIS CB C 45 25.934 25.934 31.147 -5.213 18118 705 1 2 . 1 1 45 45 HIS H H 45 8.493 8.493 9.402 -0.909 18118 706 1 2 . 1 1 46 46 PHE N N 46 123.886 123.886 123.750 0.136 18118 707 1 2 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.764 -0.201 18118 708 1 2 . 1 1 46 46 PHE CA C 46 57.122 57.122 55.954 1.168 18118 709 1 2 . 1 1 46 46 PHE CB C 46 36.299 36.299 39.485 -3.186 18118 710 1 2 . 1 1 46 46 PHE H H 46 9.014 9.014 8.361 0.653 18118 711 1 2 . 1 1 47 47 LEU N N 47 124.343 124.343 125.246 -0.903 18118 712 1 2 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.536 -0.032 18118 713 1 2 . 1 1 47 47 LEU CA C 47 51.885 51.885 53.978 -2.093 18118 714 1 2 . 1 1 47 47 LEU CB C 47 38.896 38.896 41.450 -2.554 18118 715 1 2 . 1 1 47 47 LEU H H 47 8.066 8.066 8.842 -0.776 18118 716 1 2 . 1 1 48 48 LEU N N 48 122.809 122.809 122.790 0.019 18118 717 1 2 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.661 0.164 18118 718 1 2 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.088 -2.158 18118 719 1 2 . 1 1 48 48 LEU CB C 48 41.655 41.655 45.901 -4.246 18118 720 1 2 . 1 1 48 48 LEU H H 48 8.754 8.754 8.118 0.636 18118 721 1 2 . 1 1 49 49 ASN N N 49 119.420 119.420 118.143 1.277 18118 722 1 2 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.830 -0.039 18118 723 1 2 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.981 -4.386 18118 724 1 2 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.567 -2.832 18118 725 1 2 . 1 1 49 49 ASN H H 49 8.757 8.757 8.217 0.540 18118 726 1 2 . 1 1 50 50 ARG N N 50 119.367 119.367 117.469 1.898 18118 727 1 2 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.166 -0.140 18118 728 1 2 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.191 -2.273 18118 729 1 2 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.675 -2.481 18118 730 1 2 . 1 1 50 50 ARG H H 50 8.618 8.618 8.763 -0.145 18118 731 1 2 . 1 1 51 51 ASP N N 51 116.650 116.650 116.899 -0.249 18118 732 1 2 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.715 -0.130 18118 733 1 2 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.545 -2.265 18118 734 1 2 . 1 1 51 51 ASP CB C 51 38.544 38.544 40.484 -1.940 18118 735 1 2 . 1 1 51 51 ASP H H 51 7.577 7.577 7.499 0.078 18118 736 1 2 . 1 1 52 52 GLY N N 52 107.719 107.719 108.428 -0.709 18118 737 1 2 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.803 -2.462 18118 738 1 2 . 1 1 52 52 GLY H H 52 8.171 8.171 8.107 0.064 18118 739 1 2 . 1 1 53 53 LYS N N 53 119.174 119.174 119.040 0.134 18118 740 1 2 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.567 -0.148 18118 741 1 2 . 1 1 53 53 LYS CA C 53 51.788 51.788 54.713 -2.925 18118 742 1 2 . 1 1 53 53 LYS CB C 53 30.976 30.976 32.188 -1.212 18118 743 1 2 . 1 1 53 53 LYS H H 53 7.750 7.750 7.948 -0.198 18118 744 1 2 . 1 1 54 54 ARG N N 54 121.126 121.126 123.813 -2.687 18118 745 1 2 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.370 -0.201 18118 746 1 2 . 1 1 54 54 ARG CA C 54 54.949 54.949 57.053 -2.104 18118 747 1 2 . 1 1 54 54 ARG CB C 54 28.054 28.054 31.730 -3.676 18118 748 1 2 . 1 1 54 54 ARG H H 54 8.570 8.570 8.580 -0.010 18118 749 1 2 . 1 1 55 55 ARG N N 55 121.856 121.856 118.630 3.226 18118 750 1 2 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.599 -0.558 18118 751 1 2 . 1 1 55 55 ARG CA C 55 53.172 53.172 55.048 -1.876 18118 752 1 2 . 1 1 55 55 ARG CB C 55 29.692 29.692 33.217 -3.525 18118 753 1 2 . 1 1 55 55 ARG H H 55 8.352 8.352 7.927 0.425 18118 754 1 2 . 1 1 56 56 GLY N N 56 108.554 108.554 107.902 0.652 18118 755 1 2 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.346 -0.885 18118 756 1 2 . 1 1 56 56 GLY H H 56 8.683 8.683 8.783 -0.100 18118 757 1 2 . 1 1 57 57 ASP N N 57 117.136 117.136 117.378 -0.242 18118 758 1 2 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.548 0.209 18118 759 1 2 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.744 -3.500 18118 760 1 2 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.369 -3.104 18118 761 1 2 . 1 1 57 57 ASP H H 57 8.018 8.018 7.456 0.562 18118 762 1 2 . 1 1 58 58 ALA N N 58 122.425 122.425 120.690 1.735 18118 763 1 2 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.853 0.252 18118 764 1 2 . 1 1 58 58 ALA CA C 58 48.358 48.358 50.730 -2.372 18118 765 1 2 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.863 -3.418 18118 766 1 2 . 1 1 58 58 ALA H H 58 9.137 9.137 8.372 0.765 18118 767 1 2 . 1 1 59 59 LEU N N 59 121.454 121.454 120.835 0.619 18118 768 1 2 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.180 0.067 18118 769 1 2 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.843 -3.485 18118 770 1 2 . 1 1 59 59 LEU CB C 59 42.166 42.166 43.687 -1.521 18118 771 1 2 . 1 1 59 59 LEU H H 59 8.604 8.604 8.769 -0.165 18118 772 1 2 . 1 1 60 60 ILE N N 60 123.974 123.974 121.321 2.653 18118 773 1 2 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.736 0.102 18118 774 1 2 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.937 -1.553 18118 775 1 2 . 1 1 60 60 ILE CB C 60 38.147 38.147 39.447 -1.300 18118 776 1 2 . 1 1 60 60 ILE H H 60 9.081 9.081 9.192 -0.111 18118 777 1 2 . 1 1 61 61 GLU N N 61 126.177 126.177 127.249 -1.072 18118 778 1 2 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.559 -0.014 18118 779 1 2 . 1 1 61 61 GLU CA C 61 52.464 52.464 56.130 -3.666 18118 780 1 2 . 1 1 61 61 GLU CB C 61 29.517 29.517 30.694 -1.177 18118 781 1 2 . 1 1 61 61 GLU H H 61 8.832 8.832 8.742 0.090 18118 782 1 2 . 1 1 62 62 MET N N 62 121.191 121.191 126.619 -5.428 18118 783 1 2 . 1 1 62 62 MET HA H 62 5.131 5.131 4.796 0.335 18118 784 1 2 . 1 1 62 62 MET CA C 62 49.938 49.938 54.442 -4.504 18118 785 1 2 . 1 1 62 62 MET CB C 62 30.874 30.874 35.432 -4.558 18118 786 1 2 . 1 1 62 62 MET H H 62 8.854 8.854 8.462 0.392 18118 787 1 2 . 1 1 63 63 GLU N N 63 117.598 117.598 123.065 -5.467 18118 788 1 2 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.209 -0.138 18118 789 1 2 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.151 -0.996 18118 790 1 2 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.621 -2.541 18118 791 1 2 . 1 1 63 63 GLU H H 63 8.092 8.092 8.966 -0.874 18118 792 1 2 . 1 1 64 64 SER N N 64 109.627 109.627 111.821 -2.194 18118 793 1 2 . 1 1 64 64 SER HA H 64 4.113 4.113 4.038 0.075 18118 794 1 2 . 1 1 64 64 SER CA C 64 54.607 54.607 56.591 -1.984 18118 795 1 2 . 1 1 64 64 SER CB C 64 65.273 65.273 65.519 -0.246 18118 796 1 2 . 1 1 64 64 SER H H 64 7.710 7.710 7.592 0.118 18118 797 1 2 . 1 1 65 65 GLU N N 65 121.394 121.394 121.861 -0.467 18118 798 1 2 . 1 1 65 65 GLU HA H 65 3.485 3.485 4.061 -0.576 18118 799 1 2 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.072 -3.972 18118 800 1 2 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.704 -3.422 18118 801 1 2 . 1 1 65 65 GLU H H 65 8.364 8.364 8.705 -0.341 18118 802 1 2 . 1 1 66 66 GLN N N 66 118.987 118.987 116.985 2.002 18118 803 1 2 . 1 1 66 66 GLN HA H 66 3.902 3.902 3.988 -0.086 18118 804 1 2 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.745 -3.307 18118 805 1 2 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.220 -2.826 18118 806 1 2 . 1 1 66 66 GLN H H 66 7.979 7.979 8.628 -0.649 18118 807 1 2 . 1 1 67 67 ASP N N 67 118.539 118.539 118.415 0.124 18118 808 1 2 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.490 -0.156 18118 809 1 2 . 1 1 67 67 ASP CA C 67 55.727 55.727 57.013 -1.286 18118 810 1 2 . 1 1 67 67 ASP CB C 67 41.607 41.607 40.865 0.742 18118 811 1 2 . 1 1 67 67 ASP H H 67 7.325 7.325 7.647 -0.322 18118 812 1 2 . 1 1 68 68 VAL N N 68 119.502 119.502 121.424 -1.922 18118 813 1 2 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.674 -0.499 18118 814 1 2 . 1 1 68 68 VAL CA C 68 64.830 64.830 66.162 -1.332 18118 815 1 2 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.655 -2.821 18118 816 1 2 . 1 1 68 68 VAL H H 68 7.165 7.165 7.266 -0.101 18118 817 1 2 . 1 1 69 69 GLN N N 69 115.899 115.899 118.297 -2.398 18118 818 1 2 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.971 -0.237 18118 819 1 2 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.837 -2.433 18118 820 1 2 . 1 1 69 69 GLN CB C 69 25.212 25.212 27.973 -2.761 18118 821 1 2 . 1 1 69 69 GLN H H 69 7.718 7.718 8.600 -0.882 18118 822 1 2 . 1 1 70 70 LYS N N 70 118.403 118.403 118.804 -0.401 18118 823 1 2 . 1 1 70 70 LYS HA H 70 3.928 3.928 3.997 -0.069 18118 824 1 2 . 1 1 70 70 LYS CA C 70 55.937 55.937 59.398 -3.461 18118 825 1 2 . 1 1 70 70 LYS CB C 70 29.946 29.946 32.069 -2.123 18118 826 1 2 . 1 1 70 70 LYS H H 70 7.767 7.767 7.534 0.233 18118 827 1 2 . 1 1 71 71 ALA N N 71 124.650 124.650 121.132 3.518 18118 828 1 2 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.170 -0.143 18118 829 1 2 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.733 -1.990 18118 830 1 2 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.273 -2.159 18118 831 1 2 . 1 1 71 71 ALA H H 71 8.160 8.160 7.304 0.856 18118 832 1 2 . 1 1 72 72 LEU N N 72 116.557 116.557 118.675 -2.118 18118 833 1 2 . 1 1 72 72 LEU HA H 72 3.794 3.794 3.894 -0.100 18118 834 1 2 . 1 1 72 72 LEU CA C 72 54.664 54.664 57.301 -2.637 18118 835 1 2 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.409 -2.576 18118 836 1 2 . 1 1 72 72 LEU H H 72 8.055 8.055 7.815 0.240 18118 837 1 2 . 1 1 73 73 GLU N N 73 117.807 117.807 118.554 -0.747 18118 838 1 2 . 1 1 73 73 GLU HA H 73 4.090 4.090 3.909 0.181 18118 839 1 2 . 1 1 73 73 GLU CA C 73 55.462 55.462 58.983 -3.521 18118 840 1 2 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.391 -2.585 18118 841 1 2 . 1 1 73 73 GLU H H 73 7.369 7.369 8.417 -1.048 18118 842 1 2 . 1 1 74 74 LYS N N 74 116.715 116.715 115.292 1.423 18118 843 1 2 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.680 -0.488 18118 844 1 2 . 1 1 74 74 LYS CA C 74 51.741 51.741 55.245 -3.503 18118 845 1 2 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.216 -2.752 18118 846 1 2 . 1 1 74 74 LYS H H 74 7.805 7.805 7.343 0.462 18118 847 1 2 . 1 1 75 75 HIS N N 75 117.177 117.177 119.792 -2.615 18118 848 1 2 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.448 -0.120 18118 849 1 2 . 1 1 75 75 HIS CA C 75 55.811 55.811 57.877 -2.066 18118 850 1 2 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.514 0.069 18118 851 1 2 . 1 1 75 75 HIS H H 75 7.184 7.184 8.322 -1.138 18118 852 1 2 . 1 1 76 76 ARG N N 76 121.753 121.753 118.907 2.846 18118 853 1 2 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.366 -0.060 18118 854 1 2 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.126 0.593 18118 855 1 2 . 1 1 76 76 ARG CB C 76 33.288 33.288 29.204 4.084 18118 856 1 2 . 1 1 76 76 ARG H H 76 9.042 9.042 8.511 0.531 18118 857 1 2 . 1 1 77 77 MET N N 77 117.206 117.206 119.666 -2.460 18118 858 1 2 . 1 1 77 77 MET HA H 77 4.598 4.598 4.571 0.027 18118 859 1 2 . 1 1 77 77 MET CA C 77 52.590 52.590 55.720 -3.130 18118 860 1 2 . 1 1 77 77 MET CB C 77 31.234 31.234 34.234 -3.000 18118 861 1 2 . 1 1 77 77 MET H H 77 7.835 7.835 7.841 -0.006 18118 862 1 2 . 1 1 78 78 TYR N N 78 117.960 117.960 115.619 2.341 18118 863 1 2 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.713 -0.112 18118 864 1 2 . 1 1 78 78 TYR CA C 78 56.028 56.028 57.523 -1.494 18118 865 1 2 . 1 1 78 78 TYR CB C 78 37.334 37.334 42.054 -4.721 18118 866 1 2 . 1 1 78 78 TYR H H 78 8.359 8.359 8.276 0.083 18118 867 1 2 . 1 1 79 79 MET N N 79 124.673 124.673 119.712 4.961 18118 868 1 2 . 1 1 79 79 MET HA H 79 4.325 4.325 4.873 -0.548 18118 869 1 2 . 1 1 79 79 MET CA C 79 52.338 52.338 55.065 -2.727 18118 870 1 2 . 1 1 79 79 MET CB C 79 31.907 31.907 34.085 -2.178 18118 871 1 2 . 1 1 79 79 MET H H 79 8.642 8.642 8.908 -0.266 18118 872 1 2 . 1 1 80 80 GLY N N 80 115.191 115.191 109.056 6.135 18118 873 1 2 . 1 1 80 80 GLY CA C 80 44.426 44.426 44.438 -0.012 18118 874 1 2 . 1 1 80 80 GLY H H 80 8.709 8.709 8.036 0.673 18118 875 1 2 . 1 1 81 81 GLN N N 81 121.981 121.981 121.220 0.761 18118 876 1 2 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.360 -0.213 18118 877 1 2 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.439 -1.882 18118 878 1 2 . 1 1 81 81 GLN CB C 81 26.736 26.736 28.671 -1.935 18118 879 1 2 . 1 1 81 81 GLN H H 81 8.598 8.598 8.404 0.194 18118 880 1 2 . 1 1 82 82 ARG N N 82 118.652 118.652 119.800 -1.148 18118 881 1 2 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.481 0.019 18118 882 1 2 . 1 1 82 82 ARG CA C 82 51.593 51.593 54.991 -3.398 18118 883 1 2 . 1 1 82 82 ARG CB C 82 29.507 29.507 33.039 -3.532 18118 884 1 2 . 1 1 82 82 ARG H H 82 7.660 7.660 7.343 0.317 18118 885 1 2 . 1 1 84 84 VAL N N 84 125.216 125.216 121.302 3.914 18118 886 1 2 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.057 0.261 18118 887 1 2 . 1 1 84 84 VAL CA C 84 58.647 58.647 61.217 -2.570 18118 888 1 2 . 1 1 84 84 VAL CB C 84 31.015 31.015 32.772 -1.757 18118 889 1 2 . 1 1 84 84 VAL H H 84 8.222 8.222 7.594 0.628 18118 890 1 2 . 1 1 86 86 VAL N N 86 120.000 120.000 124.143 -4.143 18118 891 1 2 . 1 1 86 86 VAL HA H 86 4.807 4.807 5.296 -0.489 18118 892 1 2 . 1 1 86 86 VAL CA C 86 58.928 58.928 60.485 -1.557 18118 893 1 2 . 1 1 86 86 VAL CB C 86 33.201 33.201 35.712 -2.511 18118 894 1 2 . 1 1 87 87 TYR N N 87 120.377 120.377 124.220 -3.843 18118 895 1 2 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.866 -0.242 18118 896 1 2 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.462 -3.018 18118 897 1 2 . 1 1 87 87 TYR CB C 87 40.105 40.105 43.390 -3.285 18118 898 1 2 . 1 1 87 87 TYR H H 87 8.731 8.731 8.837 -0.106 18118 899 1 2 . 1 1 88 88 GLU N N 88 122.304 122.304 121.740 0.564 18118 900 1 2 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.593 -0.243 18118 901 1 2 . 1 1 88 88 GLU CA C 88 53.640 53.640 55.919 -2.279 18118 902 1 2 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.112 -1.682 18118 903 1 2 . 1 1 88 88 GLU H H 88 8.873 8.873 8.806 0.067 18118 904 1 2 . 1 1 89 89 ILE N N 89 125.082 125.082 122.994 2.088 18118 905 1 2 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.102 0.156 18118 906 1 2 . 1 1 89 89 ILE CA C 89 55.831 55.831 60.218 -4.387 18118 907 1 2 . 1 1 89 89 ILE CB C 89 34.985 34.985 37.914 -2.929 18118 908 1 2 . 1 1 89 89 ILE H H 89 7.983 7.983 8.284 -0.301 18118 909 1 2 . 1 1 90 90 ASN N N 90 126.142 126.142 122.255 3.887 18118 910 1 2 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.784 -0.193 18118 911 1 2 . 1 1 90 90 ASN CA C 90 50.615 50.615 52.163 -1.548 18118 912 1 2 . 1 1 90 90 ASN CB C 90 36.638 36.638 39.576 -2.938 18118 913 1 2 . 1 1 90 90 ASN H H 90 8.890 8.890 8.291 0.599 18118 914 1 2 . 1 1 91 91 ASN N N 91 121.333 121.333 121.419 -0.086 18118 915 1 2 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.314 -0.018 18118 916 1 2 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.367 -2.417 18118 917 1 2 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.440 -2.135 18118 918 1 2 . 1 1 91 91 ASN H H 91 8.867 8.867 9.022 -0.155 18118 919 1 2 . 1 1 92 92 GLU N N 92 117.848 117.848 117.055 0.793 18118 920 1 2 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.076 0.016 18118 921 1 2 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.526 -2.975 18118 922 1 2 . 1 1 92 92 GLU CB C 92 26.767 26.767 29.047 -2.280 18118 923 1 2 . 1 1 92 92 GLU H H 92 8.869 8.869 8.447 0.422 18118 924 1 2 . 1 1 93 93 ASP N N 93 118.819 118.819 117.745 1.074 18118 925 1 2 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.863 -0.211 18118 926 1 2 . 1 1 93 93 ASP CA C 93 52.137 52.137 53.023 -0.886 18118 927 1 2 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.290 -1.768 18118 928 1 2 . 1 1 93 93 ASP H H 93 7.965 7.965 7.971 -0.006 18118 929 1 2 . 1 1 94 94 VAL N N 94 120.480 120.480 120.099 0.381 18118 930 1 2 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.916 -0.642 18118 931 1 2 . 1 1 94 94 VAL CA C 94 64.179 64.179 65.413 -1.234 18118 932 1 2 . 1 1 94 94 VAL CB C 94 29.477 29.477 32.655 -3.178 18118 933 1 2 . 1 1 94 94 VAL H H 94 7.406 7.406 7.924 -0.518 18118 934 1 2 . 1 1 95 95 ASP N N 95 119.806 119.806 120.225 -0.419 18118 935 1 2 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.268 -0.113 18118 936 1 2 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.918 -2.702 18118 937 1 2 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.459 -1.831 18118 938 1 2 . 1 1 95 95 ASP H H 95 8.342 8.342 7.728 0.614 18118 939 1 2 . 1 1 96 96 ALA N N 96 119.946 119.946 120.509 -0.563 18118 940 1 2 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.168 -0.242 18118 941 1 2 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.453 -2.312 18118 942 1 2 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.489 -2.813 18118 943 1 2 . 1 1 96 96 ALA H H 96 8.162 8.162 8.140 0.022 18118 944 1 2 . 1 1 97 97 LEU N N 97 119.391 119.391 120.398 -1.007 18118 945 1 2 . 1 1 97 97 LEU HA H 97 3.985 3.985 4.048 -0.063 18118 946 1 2 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.648 -2.817 18118 947 1 2 . 1 1 97 97 LEU CB C 97 39.438 39.438 41.702 -2.264 18118 948 1 2 . 1 1 97 97 LEU H H 97 7.679 7.679 7.242 0.437 18118 949 1 2 . 1 1 98 98 MET N N 98 118.055 118.055 114.739 3.316 18118 950 1 2 . 1 1 98 98 MET HA H 98 4.128 4.128 4.060 0.068 18118 951 1 2 . 1 1 98 98 MET CA C 98 54.606 54.606 58.155 -3.549 18118 952 1 2 . 1 1 98 98 MET CB C 98 27.902 27.902 31.915 -4.013 18118 953 1 2 . 1 1 98 98 MET H H 98 8.504 8.504 8.319 0.185 18118 954 1 2 . 1 1 99 99 LYS N N 99 119.351 119.351 115.823 3.528 18118 955 1 2 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.338 -0.367 18118 956 1 2 . 1 1 99 99 LYS CA C 99 56.301 56.301 57.180 -0.879 18118 957 1 2 . 1 1 99 99 LYS CB C 99 29.692 29.692 32.635 -2.943 18118 958 1 2 . 1 1 99 99 LYS H H 99 7.986 7.986 7.532 0.454 18118 959 1 2 . 1 1 100 100 SER N N 100 114.964 114.964 115.752 -0.788 18118 960 1 2 . 1 1 100 100 SER HA H 100 4.268 4.268 4.243 0.025 18118 961 1 2 . 1 1 100 100 SER CA C 100 57.764 57.764 61.159 -3.395 18118 962 1 2 . 1 1 100 100 SER CB C 100 60.753 60.753 63.481 -2.728 18118 963 1 2 . 1 1 100 100 SER H H 100 7.711 7.711 7.929 -0.218 18118 964 1 2 . 1 1 101 101 LEU N N 101 120.679 120.679 119.695 0.984 18118 965 1 2 . 1 1 101 101 LEU HA H 101 4.160 4.160 3.986 0.174 18118 966 1 2 . 1 1 101 101 LEU CA C 101 52.893 52.893 56.636 -3.744 18118 967 1 2 . 1 1 101 101 LEU CB C 101 39.541 39.541 41.971 -2.429 18118 968 1 2 . 1 1 101 101 LEU H H 101 7.405 7.405 7.506 -0.101 18118 969 1 2 . 1 1 102 102 GLN N N 102 117.646 117.646 117.014 0.632 18118 970 1 2 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.249 -0.054 18118 971 1 2 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.620 -2.260 18118 972 1 2 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.159 -0.679 18118 973 1 2 . 1 1 102 102 GLN H H 102 7.588 7.588 8.227 -0.639 18118 974 1 2 . 1 1 103 103 VAL N N 103 120.269 120.269 120.419 -0.150 18118 975 1 2 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.236 -0.221 18118 976 1 2 . 1 1 103 103 VAL CA C 103 59.755 59.755 61.763 -2.008 18118 977 1 2 . 1 1 103 103 VAL CB C 103 30.579 30.579 31.123 -0.544 18118 978 1 2 . 1 1 103 103 VAL H H 103 7.839 7.839 7.643 0.196 18118 979 1 2 . 1 1 104 104 LYS N N 104 125.201 125.201 127.554 -2.353 18118 980 1 2 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.504 -0.161 18118 981 1 2 . 1 1 104 104 LYS CA C 104 53.348 53.348 55.933 -2.585 18118 982 1 2 . 1 1 104 104 LYS CB C 104 30.634 30.634 32.615 -1.982 18118 983 1 2 . 1 1 104 104 LYS H H 104 8.364 8.364 8.579 -0.215 18118 984 1 2 . 1 1 105 105 SER N N 105 117.664 117.664 114.910 2.754 18118 985 1 2 . 1 1 105 105 SER HA H 105 4.401 4.401 4.822 -0.421 18118 986 1 2 . 1 1 105 105 SER CA C 105 55.611 55.611 57.498 -1.887 18118 987 1 2 . 1 1 105 105 SER CB C 105 61.286 61.286 64.922 -3.636 18118 988 1 2 . 1 1 105 105 SER H H 105 8.354 8.354 8.133 0.221 18118 989 1 3 . 1 1 2 2 SER N N 2 118.867 118.867 115.682 3.185 18118 990 1 3 . 1 1 2 2 SER HA H 2 4.707 4.707 4.439 0.268 18118 991 1 3 . 1 1 2 2 SER CA C 2 55.678 55.678 58.407 -2.729 18118 992 1 3 . 1 1 2 2 SER CB C 2 61.009 61.009 63.670 -2.662 18118 993 1 3 . 1 1 2 2 SER H H 2 8.195 8.195 8.350 -0.155 18118 994 1 3 . 1 1 3 3 LYS N N 3 123.188 123.188 124.007 -0.819 18118 995 1 3 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.770 -3.062 18118 996 1 3 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.446 -2.072 18118 997 1 3 . 1 1 3 3 LYS H H 3 8.427 8.427 8.365 0.062 18118 998 1 3 . 1 1 4 4 LEU N N 4 123.342 123.342 121.270 2.072 18118 999 1 3 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.639 -0.435 18118 1000 1 3 . 1 1 4 4 LEU CA C 4 52.990 52.990 54.129 -1.139 18118 1001 1 3 . 1 1 4 4 LEU CB C 4 39.667 39.667 44.092 -4.425 18118 1002 1 3 . 1 1 4 4 LEU H H 4 8.311 8.311 7.824 0.487 18118 1003 1 3 . 1 1 5 5 GLU N N 5 120.431 120.431 118.802 1.629 18118 1004 1 3 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.491 -0.334 18118 1005 1 3 . 1 1 5 5 GLU CA C 5 54.230 54.230 55.475 -1.246 18118 1006 1 3 . 1 1 5 5 GLU CB C 5 27.847 27.847 29.638 -1.791 18118 1007 1 3 . 1 1 5 5 GLU H H 5 8.321 8.321 8.151 0.170 18118 1008 1 3 . 1 1 6 6 GLU N N 6 120.027 120.027 121.472 -1.445 18118 1009 1 3 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.182 0.009 18118 1010 1 3 . 1 1 6 6 GLU CA C 6 53.842 53.842 56.883 -3.041 18118 1011 1 3 . 1 1 6 6 GLU CB C 6 27.723 27.723 30.643 -2.920 18118 1012 1 3 . 1 1 6 6 GLU H H 6 8.177 8.177 8.331 -0.154 18118 1013 1 3 . 1 1 7 7 GLU N N 7 121.663 121.663 121.467 0.196 18118 1014 1 3 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.509 -0.318 18118 1015 1 3 . 1 1 7 7 GLU CA C 7 53.679 53.679 55.814 -2.135 18118 1016 1 3 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.955 -2.407 18118 1017 1 3 . 1 1 7 7 GLU H H 7 8.228 8.228 8.723 -0.495 18118 1018 1 3 . 1 1 8 8 VAL N N 8 120.733 120.733 117.370 3.363 18118 1019 1 3 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.431 -0.345 18118 1020 1 3 . 1 1 8 8 VAL CA C 8 59.139 59.139 61.137 -1.998 18118 1021 1 3 . 1 1 8 8 VAL CB C 8 30.700 30.700 32.749 -2.049 18118 1022 1 3 . 1 1 8 8 VAL H H 8 8.102 8.102 7.599 0.503 18118 1023 1 3 . 1 1 9 9 ASP N N 9 124.190 124.190 120.578 3.612 18118 1024 1 3 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.617 -0.060 18118 1025 1 3 . 1 1 9 9 ASP CA C 9 51.180 51.180 53.599 -2.419 18118 1026 1 3 . 1 1 9 9 ASP CB C 9 38.781 38.781 41.820 -3.039 18118 1027 1 3 . 1 1 9 9 ASP H H 9 8.313 8.313 8.317 -0.004 18118 1028 1 3 . 1 1 10 10 ASP N N 10 120.966 120.966 120.017 0.949 18118 1029 1 3 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.572 -0.193 18118 1030 1 3 . 1 1 10 10 ASP CA C 10 51.555 51.555 53.627 -2.072 18118 1031 1 3 . 1 1 10 10 ASP CB C 10 39.138 39.138 39.412 -0.274 18118 1032 1 3 . 1 1 10 10 ASP H H 10 8.106 8.106 8.398 -0.292 18118 1033 1 3 . 1 1 11 11 VAL N N 11 119.321 119.321 119.173 0.148 18118 1034 1 3 . 1 1 11 11 VAL HA H 11 3.919 3.919 3.619 0.300 18118 1035 1 3 . 1 1 11 11 VAL CA C 11 58.721 58.721 62.148 -3.427 18118 1036 1 3 . 1 1 11 11 VAL CB C 11 31.300 31.300 32.542 -1.242 18118 1037 1 3 . 1 1 11 11 VAL H H 11 7.528 7.528 7.356 0.172 18118 1038 1 3 . 1 1 12 12 PHE N N 12 125.723 125.723 121.486 4.237 18118 1039 1 3 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.822 -0.236 18118 1040 1 3 . 1 1 12 12 PHE CA C 12 53.764 53.764 56.233 -2.469 18118 1041 1 3 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.022 -0.324 18118 1042 1 3 . 1 1 12 12 PHE H H 12 8.573 8.573 8.154 0.419 18118 1043 1 3 . 1 1 13 13 LEU N N 13 123.923 123.923 122.043 1.880 18118 1044 1 3 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.433 -0.201 18118 1045 1 3 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.601 -2.240 18118 1046 1 3 . 1 1 13 13 LEU CB C 13 44.651 44.651 45.977 -1.326 18118 1047 1 3 . 1 1 13 13 LEU H H 13 8.794 8.794 8.020 0.774 18118 1048 1 3 . 1 1 14 14 ILE N N 14 114.563 114.563 115.674 -1.111 18118 1049 1 3 . 1 1 14 14 ILE HA H 14 4.891 4.891 5.074 -0.183 18118 1050 1 3 . 1 1 14 14 ILE CA C 14 55.381 55.381 59.020 -3.639 18118 1051 1 3 . 1 1 14 14 ILE CB C 14 39.318 39.318 43.024 -3.706 18118 1052 1 3 . 1 1 14 14 ILE H H 14 8.316 8.316 8.836 -0.520 18118 1053 1 3 . 1 1 15 15 ARG N N 15 122.555 122.555 121.548 1.007 18118 1054 1 3 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.344 -0.010 18118 1055 1 3 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.251 -2.958 18118 1056 1 3 . 1 1 15 15 ARG CB C 15 31.850 31.850 34.722 -2.872 18118 1057 1 3 . 1 1 15 15 ARG H H 15 9.231 9.231 9.024 0.207 18118 1058 1 3 . 1 1 16 16 ALA N N 16 127.755 127.755 130.708 -2.953 18118 1059 1 3 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.297 0.399 18118 1060 1 3 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.390 -3.615 18118 1061 1 3 . 1 1 16 16 ALA CB C 16 18.337 18.337 20.843 -2.506 18118 1062 1 3 . 1 1 16 16 ALA H H 16 9.005 9.005 8.692 0.313 18118 1063 1 3 . 1 1 17 17 GLN N N 17 121.076 121.076 124.906 -3.830 18118 1064 1 3 . 1 1 17 17 GLN HA H 17 5.135 5.135 4.544 0.591 18118 1065 1 3 . 1 1 17 17 GLN CA C 17 51.832 51.832 55.250 -3.418 18118 1066 1 3 . 1 1 17 17 GLN CB C 17 30.738 30.738 30.216 0.522 18118 1067 1 3 . 1 1 17 17 GLN H H 17 9.557 9.557 8.829 0.728 18118 1068 1 3 . 1 1 18 18 GLY N N 18 110.950 110.950 107.907 3.043 18118 1069 1 3 . 1 1 18 18 GLY CA C 18 42.822 42.822 44.908 -2.086 18118 1070 1 3 . 1 1 18 18 GLY H H 18 8.294 8.294 8.312 -0.018 18118 1071 1 3 . 1 1 19 19 LEU N N 19 118.809 118.809 122.630 -3.821 18118 1072 1 3 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.570 -0.538 18118 1073 1 3 . 1 1 19 19 LEU CA C 19 50.705 50.705 52.218 -1.513 18118 1074 1 3 . 1 1 19 19 LEU CB C 19 37.568 37.568 42.221 -4.653 18118 1075 1 3 . 1 1 19 19 LEU H H 19 8.292 8.292 7.678 0.614 18118 1076 1 3 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.220 0.072 18118 1077 1 3 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.265 -2.164 18118 1078 1 3 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.093 -2.894 18118 1079 1 3 . 1 1 21 21 TRP N N 21 124.383 124.383 118.625 5.758 18118 1080 1 3 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.545 0.145 18118 1081 1 3 . 1 1 21 21 TRP CA C 21 56.237 56.237 58.732 -2.495 18118 1082 1 3 . 1 1 21 21 TRP CB C 21 25.965 25.965 28.113 -2.148 18118 1083 1 3 . 1 1 21 21 TRP H H 21 8.527 8.527 7.878 0.649 18118 1084 1 3 . 1 1 22 22 SER N N 22 109.532 109.532 115.174 -5.642 18118 1085 1 3 . 1 1 22 22 SER HA H 22 4.099 4.099 4.588 -0.489 18118 1086 1 3 . 1 1 22 22 SER CA C 22 54.162 54.162 59.377 -5.215 18118 1087 1 3 . 1 1 22 22 SER CB C 22 60.334 60.334 63.983 -3.649 18118 1088 1 3 . 1 1 22 22 SER H H 22 7.436 7.436 7.925 -0.489 18118 1089 1 3 . 1 1 23 23 CYS N N 23 119.744 119.744 121.755 -2.011 18118 1090 1 3 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.333 0.133 18118 1091 1 3 . 1 1 23 23 CYS CA C 23 55.975 55.975 60.500 -4.525 18118 1092 1 3 . 1 1 23 23 CYS CB C 23 25.489 25.489 28.141 -2.652 18118 1093 1 3 . 1 1 23 23 CYS H H 23 7.221 7.221 7.537 -0.316 18118 1094 1 3 . 1 1 24 24 THR N N 24 115.371 115.371 117.016 -1.645 18118 1095 1 3 . 1 1 24 24 THR HA H 24 4.697 4.697 4.336 0.361 18118 1096 1 3 . 1 1 24 24 THR CA C 24 57.172 57.172 60.467 -3.295 18118 1097 1 3 . 1 1 24 24 THR CB C 24 56.222 56.222 70.832 -14.610 18118 1098 1 3 . 1 1 24 24 THR H H 24 9.082 9.082 7.879 1.203 18118 1099 1 3 . 1 1 25 25 MET N N 25 118.539 118.539 121.081 -2.542 18118 1100 1 3 . 1 1 25 25 MET HA H 25 4.161 4.161 4.257 -0.096 18118 1101 1 3 . 1 1 25 25 MET CA C 25 57.241 57.241 57.817 -0.576 18118 1102 1 3 . 1 1 25 25 MET CB C 25 29.452 29.452 32.032 -2.580 18118 1103 1 3 . 1 1 25 25 MET H H 25 8.794 8.794 8.692 0.102 18118 1104 1 3 . 1 1 26 26 GLU N N 26 118.967 118.967 118.381 0.586 18118 1105 1 3 . 1 1 26 26 GLU HA H 26 3.802 3.802 4.075 -0.273 18118 1106 1 3 . 1 1 26 26 GLU CA C 26 57.247 57.247 59.967 -2.720 18118 1107 1 3 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.843 -2.180 18118 1108 1 3 . 1 1 26 26 GLU H H 26 8.462 8.462 8.830 -0.368 18118 1109 1 3 . 1 1 27 27 ASP N N 27 118.711 118.711 120.385 -1.674 18118 1110 1 3 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.431 -0.132 18118 1111 1 3 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.246 -2.175 18118 1112 1 3 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.750 -2.094 18118 1113 1 3 . 1 1 27 27 ASP H H 27 7.812 7.812 7.786 0.026 18118 1114 1 3 . 1 1 28 28 VAL N N 28 120.825 120.825 120.347 0.478 18118 1115 1 3 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.724 -0.280 18118 1116 1 3 . 1 1 28 28 VAL CA C 28 64.841 64.841 65.699 -0.858 18118 1117 1 3 . 1 1 28 28 VAL CB C 28 29.052 29.052 31.649 -2.598 18118 1118 1 3 . 1 1 28 28 VAL H H 28 7.528 7.528 7.499 0.029 18118 1119 1 3 . 1 1 29 29 LEU N N 29 120.586 120.586 121.415 -0.829 18118 1120 1 3 . 1 1 29 29 LEU HA H 29 3.778 3.778 3.904 -0.126 18118 1121 1 3 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.427 -2.445 18118 1122 1 3 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.768 -2.814 18118 1123 1 3 . 1 1 29 29 LEU H H 29 8.399 8.399 8.201 0.198 18118 1124 1 3 . 1 1 30 30 ASN N N 30 114.059 114.059 116.613 -2.554 18118 1125 1 3 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.459 -0.061 18118 1126 1 3 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.231 -3.751 18118 1127 1 3 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.539 -2.407 18118 1128 1 3 . 1 1 30 30 ASN H H 30 8.156 8.156 8.123 0.033 18118 1129 1 3 . 1 1 31 31 PHE N N 31 123.816 123.816 122.484 1.332 18118 1130 1 3 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.084 0.043 18118 1131 1 3 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.904 -2.085 18118 1132 1 3 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.093 -1.917 18118 1133 1 3 . 1 1 31 31 PHE H H 31 8.033 8.033 7.997 0.036 18118 1134 1 3 . 1 1 32 32 PHE N N 32 115.681 115.681 114.364 1.317 18118 1135 1 3 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.688 -0.035 18118 1136 1 3 . 1 1 32 32 PHE CA C 32 54.039 54.039 55.897 -1.858 18118 1137 1 3 . 1 1 32 32 PHE CB C 32 35.047 35.047 37.804 -2.757 18118 1138 1 3 . 1 1 32 32 PHE H H 32 7.622 7.622 8.367 -0.745 18118 1139 1 3 . 1 1 33 33 SER N N 33 113.797 113.797 117.490 -3.693 18118 1140 1 3 . 1 1 33 33 SER HA H 33 4.111 4.111 4.231 -0.120 18118 1141 1 3 . 1 1 33 33 SER CA C 33 59.041 59.041 61.020 -1.980 18118 1142 1 3 . 1 1 33 33 SER CB C 33 60.339 60.339 63.137 -2.798 18118 1143 1 3 . 1 1 33 33 SER H H 33 6.834 6.834 7.550 -0.716 18118 1144 1 3 . 1 1 34 34 ASP N N 34 119.155 119.155 120.175 -1.020 18118 1145 1 3 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.676 -0.095 18118 1146 1 3 . 1 1 34 34 ASP CA C 34 51.606 51.606 56.027 -4.421 18118 1147 1 3 . 1 1 34 34 ASP CB C 34 37.727 37.727 41.316 -3.589 18118 1148 1 3 . 1 1 34 34 ASP H H 34 8.717 8.717 8.640 0.077 18118 1149 1 3 . 1 1 35 35 CYS N N 35 117.269 117.269 115.162 2.107 18118 1150 1 3 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.646 -0.138 18118 1151 1 3 . 1 1 35 35 CYS CA C 35 54.961 54.961 57.497 -2.536 18118 1152 1 3 . 1 1 35 35 CYS CB C 35 27.986 27.986 31.649 -3.663 18118 1153 1 3 . 1 1 35 35 CYS H H 35 8.009 8.009 7.803 0.206 18118 1154 1 3 . 1 1 36 36 ARG N N 36 123.980 123.980 121.773 2.207 18118 1155 1 3 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.691 -0.402 18118 1156 1 3 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.424 -1.696 18118 1157 1 3 . 1 1 36 36 ARG CB C 36 26.279 26.279 31.129 -4.850 18118 1158 1 3 . 1 1 36 36 ARG H H 36 8.666 8.666 8.313 0.353 18118 1159 1 3 . 1 1 37 37 ILE N N 37 128.014 128.014 124.345 3.669 18118 1160 1 3 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.413 -0.202 18118 1161 1 3 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.817 -3.238 18118 1162 1 3 . 1 1 37 37 ILE CB C 37 36.026 36.026 39.200 -3.174 18118 1163 1 3 . 1 1 37 37 ILE H H 37 8.084 8.084 8.538 -0.454 18118 1164 1 3 . 1 1 38 38 ARG N N 38 133.264 133.264 127.338 5.926 18118 1165 1 3 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.220 -0.375 18118 1166 1 3 . 1 1 38 38 ARG CA C 38 54.767 54.767 56.246 -1.479 18118 1167 1 3 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.834 -3.005 18118 1168 1 3 . 1 1 38 38 ARG H H 38 8.662 8.662 8.729 -0.067 18118 1169 1 3 . 1 1 39 39 ASN N N 39 117.723 117.723 120.405 -2.682 18118 1170 1 3 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.371 -0.189 18118 1171 1 3 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.607 -2.905 18118 1172 1 3 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.347 -2.502 18118 1173 1 3 . 1 1 39 39 ASN H H 39 8.992 8.992 9.351 -0.359 18118 1174 1 3 . 1 1 40 40 GLY N N 40 108.314 108.314 108.542 -0.228 18118 1175 1 3 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.905 -2.622 18118 1176 1 3 . 1 1 40 40 GLY H H 40 7.949 7.949 8.041 -0.092 18118 1177 1 3 . 1 1 41 41 GLU N N 41 124.398 124.398 121.617 2.781 18118 1178 1 3 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.556 -0.744 18118 1179 1 3 . 1 1 41 41 GLU CA C 41 56.741 56.741 56.023 0.718 18118 1180 1 3 . 1 1 41 41 GLU CB C 41 26.718 26.718 30.707 -3.989 18118 1181 1 3 . 1 1 41 41 GLU H H 41 9.235 9.235 8.129 1.106 18118 1182 1 3 . 1 1 42 42 ASN N N 42 113.155 113.155 118.461 -5.306 18118 1183 1 3 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.898 -0.391 18118 1184 1 3 . 1 1 42 42 ASN CA C 42 51.901 51.901 53.597 -1.696 18118 1185 1 3 . 1 1 42 42 ASN CB C 42 36.065 36.065 39.893 -3.828 18118 1186 1 3 . 1 1 42 42 ASN H H 42 7.523 7.523 7.872 -0.349 18118 1187 1 3 . 1 1 43 43 GLY N N 43 109.898 109.898 107.714 2.184 18118 1188 1 3 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.730 -2.169 18118 1189 1 3 . 1 1 43 43 GLY H H 43 8.131 8.131 8.161 -0.030 18118 1190 1 3 . 1 1 44 44 ILE N N 44 119.116 119.116 120.871 -1.755 18118 1191 1 3 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.540 -0.763 18118 1192 1 3 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.431 -4.151 18118 1193 1 3 . 1 1 44 44 ILE CB C 44 36.145 36.145 38.866 -2.721 18118 1194 1 3 . 1 1 44 44 ILE H H 44 6.715 6.715 7.682 -0.967 18118 1195 1 3 . 1 1 45 45 HIS N N 45 124.064 124.064 126.346 -2.282 18118 1196 1 3 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.840 0.043 18118 1197 1 3 . 1 1 45 45 HIS CA C 45 49.681 49.681 54.739 -5.058 18118 1198 1 3 . 1 1 45 45 HIS CB C 45 25.934 25.934 33.725 -7.791 18118 1199 1 3 . 1 1 45 45 HIS H H 45 8.493 8.493 9.156 -0.663 18118 1200 1 3 . 1 1 46 46 PHE N N 46 123.886 123.886 123.122 0.764 18118 1201 1 3 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.959 -0.396 18118 1202 1 3 . 1 1 46 46 PHE CA C 46 57.122 57.122 55.762 1.360 18118 1203 1 3 . 1 1 46 46 PHE CB C 46 36.299 36.299 39.659 -3.360 18118 1204 1 3 . 1 1 46 46 PHE H H 46 9.014 9.014 7.926 1.088 18118 1205 1 3 . 1 1 47 47 LEU N N 47 124.343 124.343 126.216 -1.873 18118 1206 1 3 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.187 0.317 18118 1207 1 3 . 1 1 47 47 LEU CA C 47 51.885 51.885 54.447 -2.562 18118 1208 1 3 . 1 1 47 47 LEU CB C 47 38.896 38.896 40.378 -1.482 18118 1209 1 3 . 1 1 47 47 LEU H H 47 8.066 8.066 8.604 -0.538 18118 1210 1 3 . 1 1 48 48 LEU N N 48 122.809 122.809 124.519 -1.710 18118 1211 1 3 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.616 0.209 18118 1212 1 3 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.617 -2.687 18118 1213 1 3 . 1 1 48 48 LEU CB C 48 41.655 41.655 45.351 -3.696 18118 1214 1 3 . 1 1 48 48 LEU H H 48 8.754 8.754 7.789 0.965 18118 1215 1 3 . 1 1 49 49 ASN N N 49 119.420 119.420 120.096 -0.676 18118 1216 1 3 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.787 0.004 18118 1217 1 3 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.622 -4.027 18118 1218 1 3 . 1 1 49 49 ASN CB C 49 36.735 36.735 38.873 -2.138 18118 1219 1 3 . 1 1 49 49 ASN H H 49 8.757 8.757 8.266 0.491 18118 1220 1 3 . 1 1 50 50 ARG N N 50 119.367 119.367 119.195 0.172 18118 1221 1 3 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.100 -0.074 18118 1222 1 3 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.642 -2.724 18118 1223 1 3 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.569 -2.375 18118 1224 1 3 . 1 1 50 50 ARG H H 50 8.618 8.618 8.699 -0.081 18118 1225 1 3 . 1 1 51 51 ASP N N 51 116.650 116.650 115.543 1.107 18118 1226 1 3 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.724 -0.139 18118 1227 1 3 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.718 -2.438 18118 1228 1 3 . 1 1 51 51 ASP CB C 51 38.544 38.544 41.816 -3.272 18118 1229 1 3 . 1 1 51 51 ASP H H 51 7.577 7.577 8.032 -0.455 18118 1230 1 3 . 1 1 52 52 GLY N N 52 107.719 107.719 109.099 -1.380 18118 1231 1 3 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.875 -2.534 18118 1232 1 3 . 1 1 52 52 GLY H H 52 8.171 8.171 7.879 0.292 18118 1233 1 3 . 1 1 53 53 LYS N N 53 119.174 119.174 117.419 1.755 18118 1234 1 3 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.551 -0.132 18118 1235 1 3 . 1 1 53 53 LYS CA C 53 51.788 51.788 54.717 -2.929 18118 1236 1 3 . 1 1 53 53 LYS CB C 53 30.976 30.976 31.742 -0.766 18118 1237 1 3 . 1 1 53 53 LYS H H 53 7.750 7.750 8.680 -0.930 18118 1238 1 3 . 1 1 54 54 ARG N N 54 121.126 121.126 120.927 0.199 18118 1239 1 3 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.230 -0.061 18118 1240 1 3 . 1 1 54 54 ARG CA C 54 54.949 54.949 57.768 -2.819 18118 1241 1 3 . 1 1 54 54 ARG CB C 54 28.054 28.054 30.812 -2.758 18118 1242 1 3 . 1 1 54 54 ARG H H 54 8.570 8.570 8.378 0.192 18118 1243 1 3 . 1 1 55 55 ARG N N 55 121.856 121.856 115.919 5.937 18118 1244 1 3 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.502 -0.461 18118 1245 1 3 . 1 1 55 55 ARG CA C 55 53.172 53.172 55.165 -1.993 18118 1246 1 3 . 1 1 55 55 ARG CB C 55 29.692 29.692 32.953 -3.260 18118 1247 1 3 . 1 1 55 55 ARG H H 55 8.352 8.352 8.055 0.297 18118 1248 1 3 . 1 1 56 56 GLY N N 56 108.554 108.554 107.861 0.693 18118 1249 1 3 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.676 -1.215 18118 1250 1 3 . 1 1 56 56 GLY H H 56 8.683 8.683 8.579 0.104 18118 1251 1 3 . 1 1 57 57 ASP N N 57 117.136 117.136 117.583 -0.447 18118 1252 1 3 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.534 0.223 18118 1253 1 3 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.690 -3.446 18118 1254 1 3 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.136 -2.871 18118 1255 1 3 . 1 1 57 57 ASP H H 57 8.018 8.018 7.588 0.430 18118 1256 1 3 . 1 1 58 58 ALA N N 58 122.425 122.425 119.717 2.708 18118 1257 1 3 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.949 0.156 18118 1258 1 3 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.054 -2.696 18118 1259 1 3 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.674 -3.231 18118 1260 1 3 . 1 1 58 58 ALA H H 58 9.137 9.137 8.049 1.088 18118 1261 1 3 . 1 1 59 59 LEU N N 59 121.454 121.454 120.417 1.037 18118 1262 1 3 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.355 -0.108 18118 1263 1 3 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.808 -3.450 18118 1264 1 3 . 1 1 59 59 LEU CB C 59 42.166 42.166 46.520 -4.354 18118 1265 1 3 . 1 1 59 59 LEU H H 59 8.604 8.604 8.891 -0.287 18118 1266 1 3 . 1 1 60 60 ILE N N 60 123.974 123.974 122.097 1.877 18118 1267 1 3 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.649 0.189 18118 1268 1 3 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.850 -1.466 18118 1269 1 3 . 1 1 60 60 ILE CB C 60 38.147 38.147 40.089 -1.942 18118 1270 1 3 . 1 1 60 60 ILE H H 60 9.081 9.081 9.010 0.071 18118 1271 1 3 . 1 1 61 61 GLU N N 61 126.177 126.177 127.422 -1.245 18118 1272 1 3 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.504 0.041 18118 1273 1 3 . 1 1 61 61 GLU CA C 61 52.464 52.464 56.255 -3.791 18118 1274 1 3 . 1 1 61 61 GLU CB C 61 29.517 29.517 30.331 -0.814 18118 1275 1 3 . 1 1 61 61 GLU H H 61 8.832 8.832 8.522 0.310 18118 1276 1 3 . 1 1 62 62 MET N N 62 121.191 121.191 126.881 -5.690 18118 1277 1 3 . 1 1 62 62 MET HA H 62 5.131 5.131 4.460 0.671 18118 1278 1 3 . 1 1 62 62 MET CA C 62 49.938 49.938 55.528 -5.590 18118 1279 1 3 . 1 1 62 62 MET CB C 62 30.874 30.874 33.604 -2.730 18118 1280 1 3 . 1 1 62 62 MET H H 62 8.854 8.854 8.543 0.311 18118 1281 1 3 . 1 1 63 63 GLU N N 63 117.598 117.598 123.538 -5.940 18118 1282 1 3 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.201 -0.130 18118 1283 1 3 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.907 -1.752 18118 1284 1 3 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.703 -2.623 18118 1285 1 3 . 1 1 63 63 GLU H H 63 8.092 8.092 8.720 -0.628 18118 1286 1 3 . 1 1 64 64 SER N N 64 109.627 109.627 110.463 -0.836 18118 1287 1 3 . 1 1 64 64 SER HA H 64 4.113 4.113 3.341 0.772 18118 1288 1 3 . 1 1 64 64 SER CA C 64 54.607 54.607 55.907 -1.300 18118 1289 1 3 . 1 1 64 64 SER CB C 64 65.273 65.273 66.438 -1.165 18118 1290 1 3 . 1 1 64 64 SER H H 64 7.710 7.710 7.457 0.253 18118 1291 1 3 . 1 1 65 65 GLU N N 65 121.394 121.394 122.093 -0.699 18118 1292 1 3 . 1 1 65 65 GLU HA H 65 3.485 3.485 4.012 -0.527 18118 1293 1 3 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.434 -4.334 18118 1294 1 3 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.680 -3.398 18118 1295 1 3 . 1 1 65 65 GLU H H 65 8.364 8.364 8.309 0.055 18118 1296 1 3 . 1 1 66 66 GLN N N 66 118.987 118.987 117.348 1.639 18118 1297 1 3 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.054 -0.152 18118 1298 1 3 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.087 -2.649 18118 1299 1 3 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.243 -2.849 18118 1300 1 3 . 1 1 66 66 GLN H H 66 7.979 7.979 8.579 -0.600 18118 1301 1 3 . 1 1 67 67 ASP N N 67 118.539 118.539 119.588 -1.049 18118 1302 1 3 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.473 -0.139 18118 1303 1 3 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.802 -1.075 18118 1304 1 3 . 1 1 67 67 ASP CB C 67 41.607 41.607 40.582 1.025 18118 1305 1 3 . 1 1 67 67 ASP H H 67 7.325 7.325 7.640 -0.315 18118 1306 1 3 . 1 1 68 68 VAL N N 68 119.502 119.502 121.341 -1.839 18118 1307 1 3 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.806 -0.631 18118 1308 1 3 . 1 1 68 68 VAL CA C 68 64.830 64.830 64.831 -0.001 18118 1309 1 3 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.685 -2.851 18118 1310 1 3 . 1 1 68 68 VAL H H 68 7.165 7.165 7.516 -0.351 18118 1311 1 3 . 1 1 69 69 GLN N N 69 115.899 115.899 119.127 -3.228 18118 1312 1 3 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.996 -0.262 18118 1313 1 3 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.870 -2.466 18118 1314 1 3 . 1 1 69 69 GLN CB C 69 25.212 25.212 28.185 -2.973 18118 1315 1 3 . 1 1 69 69 GLN H H 69 7.718 7.718 8.013 -0.295 18118 1316 1 3 . 1 1 70 70 LYS N N 70 118.403 118.403 119.525 -1.122 18118 1317 1 3 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.027 -0.099 18118 1318 1 3 . 1 1 70 70 LYS CA C 70 55.937 55.937 59.015 -3.078 18118 1319 1 3 . 1 1 70 70 LYS CB C 70 29.946 29.946 32.013 -2.067 18118 1320 1 3 . 1 1 70 70 LYS H H 70 7.767 7.767 7.495 0.272 18118 1321 1 3 . 1 1 71 71 ALA N N 71 124.650 124.650 122.746 1.904 18118 1322 1 3 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.322 -0.295 18118 1323 1 3 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.715 -1.972 18118 1324 1 3 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.501 -2.387 18118 1325 1 3 . 1 1 71 71 ALA H H 71 8.160 8.160 7.439 0.722 18118 1326 1 3 . 1 1 72 72 LEU N N 72 116.557 116.557 118.558 -2.001 18118 1327 1 3 . 1 1 72 72 LEU HA H 72 3.794 3.794 4.131 -0.337 18118 1328 1 3 . 1 1 72 72 LEU CA C 72 54.664 54.664 57.558 -2.894 18118 1329 1 3 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.368 -2.535 18118 1330 1 3 . 1 1 72 72 LEU H H 72 8.055 8.055 7.988 0.067 18118 1331 1 3 . 1 1 73 73 GLU N N 73 117.807 117.807 119.477 -1.670 18118 1332 1 3 . 1 1 73 73 GLU HA H 73 4.090 4.090 4.051 0.039 18118 1333 1 3 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.349 -3.888 18118 1334 1 3 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.158 -2.352 18118 1335 1 3 . 1 1 73 73 GLU H H 73 7.369 7.369 7.731 -0.362 18118 1336 1 3 . 1 1 74 74 LYS N N 74 116.715 116.715 116.778 -0.063 18118 1337 1 3 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.117 0.075 18118 1338 1 3 . 1 1 74 74 LYS CA C 74 51.741 51.741 55.744 -4.003 18118 1339 1 3 . 1 1 74 74 LYS CB C 74 28.464 28.464 30.852 -2.389 18118 1340 1 3 . 1 1 74 74 LYS H H 74 7.805 7.805 7.704 0.101 18118 1341 1 3 . 1 1 75 75 HIS N N 75 117.177 117.177 114.809 2.368 18118 1342 1 3 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.660 -0.332 18118 1343 1 3 . 1 1 75 75 HIS CA C 75 55.811 55.811 58.226 -2.415 18118 1344 1 3 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.164 0.419 18118 1345 1 3 . 1 1 75 75 HIS H H 75 7.184 7.184 7.655 -0.471 18118 1346 1 3 . 1 1 76 76 ARG N N 76 121.753 121.753 118.478 3.275 18118 1347 1 3 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.559 -0.253 18118 1348 1 3 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.174 0.545 18118 1349 1 3 . 1 1 76 76 ARG CB C 76 33.288 33.288 30.570 2.719 18118 1350 1 3 . 1 1 76 76 ARG H H 76 9.042 9.042 7.628 1.414 18118 1351 1 3 . 1 1 77 77 MET N N 77 117.206 117.206 118.539 -1.333 18118 1352 1 3 . 1 1 77 77 MET HA H 77 4.598 4.598 4.773 -0.175 18118 1353 1 3 . 1 1 77 77 MET CA C 77 52.590 52.590 54.610 -2.020 18118 1354 1 3 . 1 1 77 77 MET CB C 77 31.234 31.234 35.791 -4.557 18118 1355 1 3 . 1 1 77 77 MET H H 77 7.835 7.835 7.972 -0.137 18118 1356 1 3 . 1 1 78 78 TYR N N 78 117.960 117.960 119.334 -1.374 18118 1357 1 3 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.900 -0.298 18118 1358 1 3 . 1 1 78 78 TYR CA C 78 56.028 56.028 57.566 -1.538 18118 1359 1 3 . 1 1 78 78 TYR CB C 78 37.334 37.334 39.275 -1.941 18118 1360 1 3 . 1 1 78 78 TYR H H 78 8.359 8.359 8.533 -0.174 18118 1361 1 3 . 1 1 79 79 MET N N 79 124.673 124.673 125.631 -0.958 18118 1362 1 3 . 1 1 79 79 MET HA H 79 4.325 4.325 4.408 -0.083 18118 1363 1 3 . 1 1 79 79 MET CA C 79 52.338 52.338 55.783 -3.445 18118 1364 1 3 . 1 1 79 79 MET CB C 79 31.907 31.907 34.453 -2.546 18118 1365 1 3 . 1 1 79 79 MET H H 79 8.642 8.642 8.066 0.576 18118 1366 1 3 . 1 1 80 80 GLY N N 80 115.191 115.191 112.477 2.714 18118 1367 1 3 . 1 1 80 80 GLY CA C 80 44.426 44.426 47.298 -2.873 18118 1368 1 3 . 1 1 80 80 GLY H H 80 8.709 8.709 8.813 -0.104 18118 1369 1 3 . 1 1 81 81 GLN N N 81 121.981 121.981 120.163 1.818 18118 1370 1 3 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.484 -0.337 18118 1371 1 3 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.966 -2.409 18118 1372 1 3 . 1 1 81 81 GLN CB C 81 26.736 26.736 30.111 -3.376 18118 1373 1 3 . 1 1 81 81 GLN H H 81 8.598 8.598 8.440 0.158 18118 1374 1 3 . 1 1 82 82 ARG N N 82 118.652 118.652 118.644 0.008 18118 1375 1 3 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.482 0.018 18118 1376 1 3 . 1 1 82 82 ARG CA C 82 51.593 51.593 54.079 -2.486 18118 1377 1 3 . 1 1 82 82 ARG CB C 82 29.507 29.507 33.719 -4.212 18118 1378 1 3 . 1 1 82 82 ARG H H 82 7.660 7.660 7.675 -0.015 18118 1379 1 3 . 1 1 84 84 VAL N N 84 125.216 125.216 120.437 4.779 18118 1380 1 3 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.704 -0.386 18118 1381 1 3 . 1 1 84 84 VAL CA C 84 58.647 58.647 60.057 -1.410 18118 1382 1 3 . 1 1 84 84 VAL CB C 84 31.015 31.015 33.825 -2.810 18118 1383 1 3 . 1 1 84 84 VAL H H 84 8.222 8.222 8.084 0.138 18118 1384 1 3 . 1 1 86 86 VAL N N 86 120.000 120.000 123.348 -3.348 18118 1385 1 3 . 1 1 86 86 VAL HA H 86 4.807 4.807 5.343 -0.536 18118 1386 1 3 . 1 1 86 86 VAL CA C 86 58.928 58.928 60.687 -1.759 18118 1387 1 3 . 1 1 86 86 VAL CB C 86 33.201 33.201 34.527 -1.326 18118 1388 1 3 . 1 1 87 87 TYR N N 87 120.377 120.377 127.083 -6.706 18118 1389 1 3 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.898 -0.274 18118 1390 1 3 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.478 -3.034 18118 1391 1 3 . 1 1 87 87 TYR CB C 87 40.105 40.105 43.944 -3.839 18118 1392 1 3 . 1 1 87 87 TYR H H 87 8.731 8.731 8.797 -0.066 18118 1393 1 3 . 1 1 88 88 GLU N N 88 122.304 122.304 120.225 2.079 18118 1394 1 3 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.965 -0.615 18118 1395 1 3 . 1 1 88 88 GLU CA C 88 53.640 53.640 55.082 -1.442 18118 1396 1 3 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.951 -2.521 18118 1397 1 3 . 1 1 88 88 GLU H H 88 8.873 8.873 8.824 0.049 18118 1398 1 3 . 1 1 89 89 ILE N N 89 125.082 125.082 122.471 2.611 18118 1399 1 3 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.272 -0.014 18118 1400 1 3 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.384 -3.553 18118 1401 1 3 . 1 1 89 89 ILE CB C 89 34.985 34.985 37.728 -2.744 18118 1402 1 3 . 1 1 89 89 ILE H H 89 7.983 7.983 8.539 -0.556 18118 1403 1 3 . 1 1 90 90 ASN N N 90 126.142 126.142 124.596 1.546 18118 1404 1 3 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.887 -0.296 18118 1405 1 3 . 1 1 90 90 ASN CA C 90 50.615 50.615 52.471 -1.856 18118 1406 1 3 . 1 1 90 90 ASN CB C 90 36.638 36.638 39.733 -3.095 18118 1407 1 3 . 1 1 90 90 ASN H H 90 8.890 8.890 8.512 0.378 18118 1408 1 3 . 1 1 91 91 ASN N N 91 121.333 121.333 119.936 1.397 18118 1409 1 3 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.306 -0.010 18118 1410 1 3 . 1 1 91 91 ASN CA C 91 53.950 53.950 55.905 -1.955 18118 1411 1 3 . 1 1 91 91 ASN CB C 91 36.305 36.305 37.872 -1.567 18118 1412 1 3 . 1 1 91 91 ASN H H 91 8.867 8.867 8.785 0.082 18118 1413 1 3 . 1 1 92 92 GLU N N 92 117.848 117.848 116.905 0.943 18118 1414 1 3 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.125 -0.033 18118 1415 1 3 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.690 -3.139 18118 1416 1 3 . 1 1 92 92 GLU CB C 92 26.767 26.767 28.958 -2.191 18118 1417 1 3 . 1 1 92 92 GLU H H 92 8.869 8.869 8.661 0.208 18118 1418 1 3 . 1 1 93 93 ASP N N 93 118.819 118.819 117.239 1.580 18118 1419 1 3 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.871 -0.219 18118 1420 1 3 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.429 -2.292 18118 1421 1 3 . 1 1 93 93 ASP CB C 93 39.522 39.522 42.687 -3.165 18118 1422 1 3 . 1 1 93 93 ASP H H 93 7.965 7.965 8.262 -0.297 18118 1423 1 3 . 1 1 94 94 VAL N N 94 120.480 120.480 121.189 -0.709 18118 1424 1 3 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.551 -0.277 18118 1425 1 3 . 1 1 94 94 VAL CA C 94 64.179 64.179 66.855 -2.676 18118 1426 1 3 . 1 1 94 94 VAL CB C 94 29.477 29.477 31.961 -2.484 18118 1427 1 3 . 1 1 94 94 VAL H H 94 7.406 7.406 7.118 0.288 18118 1428 1 3 . 1 1 95 95 ASP N N 95 119.806 119.806 120.027 -0.221 18118 1429 1 3 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.218 -0.063 18118 1430 1 3 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.804 -2.588 18118 1431 1 3 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.381 -1.754 18118 1432 1 3 . 1 1 95 95 ASP H H 95 8.342 8.342 7.828 0.514 18118 1433 1 3 . 1 1 96 96 ALA N N 96 119.946 119.946 119.738 0.208 18118 1434 1 3 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.303 -0.377 18118 1435 1 3 . 1 1 96 96 ALA CA C 96 52.140 52.140 53.814 -1.674 18118 1436 1 3 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.596 -2.921 18118 1437 1 3 . 1 1 96 96 ALA H H 96 8.162 8.162 8.066 0.096 18118 1438 1 3 . 1 1 97 97 LEU N N 97 119.391 119.391 121.223 -1.832 18118 1439 1 3 . 1 1 97 97 LEU HA H 97 3.985 3.985 4.075 -0.090 18118 1440 1 3 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.571 -2.740 18118 1441 1 3 . 1 1 97 97 LEU CB C 97 39.438 39.438 41.992 -2.554 18118 1442 1 3 . 1 1 97 97 LEU H H 97 7.679 7.679 7.470 0.209 18118 1443 1 3 . 1 1 98 98 MET N N 98 118.055 118.055 116.602 1.453 18118 1444 1 3 . 1 1 98 98 MET HA H 98 4.128 4.128 4.100 0.028 18118 1445 1 3 . 1 1 98 98 MET CA C 98 54.606 54.606 57.779 -3.173 18118 1446 1 3 . 1 1 98 98 MET CB C 98 27.902 27.902 31.495 -3.594 18118 1447 1 3 . 1 1 98 98 MET H H 98 8.504 8.504 7.947 0.557 18118 1448 1 3 . 1 1 99 99 LYS N N 99 119.351 119.351 120.475 -1.124 18118 1449 1 3 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.078 -0.107 18118 1450 1 3 . 1 1 99 99 LYS CA C 99 56.301 56.301 58.670 -2.369 18118 1451 1 3 . 1 1 99 99 LYS CB C 99 29.692 29.692 31.570 -1.878 18118 1452 1 3 . 1 1 99 99 LYS H H 99 7.986 7.986 7.925 0.061 18118 1453 1 3 . 1 1 100 100 SER N N 100 114.964 114.964 115.135 -0.171 18118 1454 1 3 . 1 1 100 100 SER HA H 100 4.268 4.268 4.274 -0.006 18118 1455 1 3 . 1 1 100 100 SER CA C 100 57.764 57.764 61.177 -3.413 18118 1456 1 3 . 1 1 100 100 SER CB C 100 60.753 60.753 63.586 -2.833 18118 1457 1 3 . 1 1 100 100 SER H H 100 7.711 7.711 7.928 -0.217 18118 1458 1 3 . 1 1 101 101 LEU N N 101 120.679 120.679 118.448 2.231 18118 1459 1 3 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.451 -0.291 18118 1460 1 3 . 1 1 101 101 LEU CA C 101 52.893 52.893 54.338 -1.445 18118 1461 1 3 . 1 1 101 101 LEU CB C 101 39.541 39.541 42.831 -3.289 18118 1462 1 3 . 1 1 101 101 LEU H H 101 7.405 7.405 7.765 -0.360 18118 1463 1 3 . 1 1 102 102 GLN N N 102 117.646 117.646 120.562 -2.916 18118 1464 1 3 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.219 -0.024 18118 1465 1 3 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.633 -2.273 18118 1466 1 3 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.274 -0.794 18118 1467 1 3 . 1 1 102 102 GLN H H 102 7.588 7.588 8.261 -0.673 18118 1468 1 3 . 1 1 103 103 VAL N N 103 120.269 120.269 122.158 -1.889 18118 1469 1 3 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.004 0.011 18118 1470 1 3 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.670 -2.915 18118 1471 1 3 . 1 1 103 103 VAL CB C 103 30.579 30.579 30.009 0.570 18118 1472 1 3 . 1 1 103 103 VAL H H 103 7.839 7.839 7.531 0.308 18118 1473 1 3 . 1 1 104 104 LYS N N 104 125.201 125.201 126.074 -0.873 18118 1474 1 3 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.554 -0.211 18118 1475 1 3 . 1 1 104 104 LYS CA C 104 53.348 53.348 56.430 -3.082 18118 1476 1 3 . 1 1 104 104 LYS CB C 104 30.634 30.634 32.557 -1.923 18118 1477 1 3 . 1 1 104 104 LYS H H 104 8.364 8.364 8.074 0.290 18118 1478 1 3 . 1 1 105 105 SER N N 105 117.664 117.664 116.649 1.015 18118 1479 1 3 . 1 1 105 105 SER HA H 105 4.401 4.401 4.768 -0.367 18118 1480 1 3 . 1 1 105 105 SER CA C 105 55.611 55.611 57.827 -2.216 18118 1481 1 3 . 1 1 105 105 SER CB C 105 61.286 61.286 64.264 -2.978 18118 1482 1 3 . 1 1 105 105 SER H H 105 8.354 8.354 8.117 0.237 18118 1483 1 4 . 1 1 2 2 SER N N 2 118.867 118.867 117.140 1.727 18118 1484 1 4 . 1 1 2 2 SER HA H 2 4.707 4.707 4.863 -0.156 18118 1485 1 4 . 1 1 2 2 SER CA C 2 55.678 55.678 57.667 -1.989 18118 1486 1 4 . 1 1 2 2 SER CB C 2 61.009 61.009 64.112 -3.103 18118 1487 1 4 . 1 1 2 2 SER H H 2 8.195 8.195 8.306 -0.111 18118 1488 1 4 . 1 1 3 3 LYS N N 3 123.188 123.188 119.279 3.909 18118 1489 1 4 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.191 -2.483 18118 1490 1 4 . 1 1 3 3 LYS CB C 3 30.374 30.374 31.991 -1.617 18118 1491 1 4 . 1 1 3 3 LYS H H 3 8.427 8.427 8.542 -0.115 18118 1492 1 4 . 1 1 4 4 LEU N N 4 123.342 123.342 123.625 -0.283 18118 1493 1 4 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.420 -0.216 18118 1494 1 4 . 1 1 4 4 LEU CA C 4 52.990 52.990 55.092 -2.102 18118 1495 1 4 . 1 1 4 4 LEU CB C 4 39.667 39.667 42.791 -3.124 18118 1496 1 4 . 1 1 4 4 LEU H H 4 8.311 8.311 7.822 0.489 18118 1497 1 4 . 1 1 5 5 GLU N N 5 120.431 120.431 122.765 -2.334 18118 1498 1 4 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.529 -0.372 18118 1499 1 4 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.050 -1.820 18118 1500 1 4 . 1 1 5 5 GLU CB C 5 27.847 27.847 28.927 -1.079 18118 1501 1 4 . 1 1 5 5 GLU H H 5 8.321 8.321 8.736 -0.415 18118 1502 1 4 . 1 1 6 6 GLU N N 6 120.027 120.027 119.203 0.824 18118 1503 1 4 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.412 -0.221 18118 1504 1 4 . 1 1 6 6 GLU CA C 6 53.842 53.842 55.665 -1.823 18118 1505 1 4 . 1 1 6 6 GLU CB C 6 27.723 27.723 30.742 -3.019 18118 1506 1 4 . 1 1 6 6 GLU H H 6 8.177 8.177 7.778 0.399 18118 1507 1 4 . 1 1 7 7 GLU N N 7 121.663 121.663 119.298 2.365 18118 1508 1 4 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.552 -0.361 18118 1509 1 4 . 1 1 7 7 GLU CA C 7 53.679 53.679 55.956 -2.277 18118 1510 1 4 . 1 1 7 7 GLU CB C 7 27.548 27.548 30.413 -2.865 18118 1511 1 4 . 1 1 7 7 GLU H H 7 8.228 8.228 8.694 -0.466 18118 1512 1 4 . 1 1 8 8 VAL N N 8 120.733 120.733 118.735 1.998 18118 1513 1 4 . 1 1 8 8 VAL HA H 8 4.086 4.086 3.919 0.167 18118 1514 1 4 . 1 1 8 8 VAL CA C 8 59.139 59.139 62.591 -3.452 18118 1515 1 4 . 1 1 8 8 VAL CB C 8 30.700 30.700 31.720 -1.020 18118 1516 1 4 . 1 1 8 8 VAL H H 8 8.102 8.102 7.721 0.381 18118 1517 1 4 . 1 1 9 9 ASP N N 9 124.190 124.190 125.866 -1.676 18118 1518 1 4 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.622 -0.065 18118 1519 1 4 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.006 -2.826 18118 1520 1 4 . 1 1 9 9 ASP CB C 9 38.781 38.781 42.139 -3.358 18118 1521 1 4 . 1 1 9 9 ASP H H 9 8.313 8.313 8.195 0.118 18118 1522 1 4 . 1 1 10 10 ASP N N 10 120.966 120.966 120.178 0.788 18118 1523 1 4 . 1 1 10 10 ASP HA H 10 4.379 4.379 5.102 -0.723 18118 1524 1 4 . 1 1 10 10 ASP CA C 10 51.555 51.555 53.048 -1.493 18118 1525 1 4 . 1 1 10 10 ASP CB C 10 39.138 39.138 40.572 -1.434 18118 1526 1 4 . 1 1 10 10 ASP H H 10 8.106 8.106 8.408 -0.302 18118 1527 1 4 . 1 1 11 11 VAL N N 11 119.321 119.321 120.064 -0.743 18118 1528 1 4 . 1 1 11 11 VAL HA H 11 3.919 3.919 3.888 0.031 18118 1529 1 4 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.278 -2.557 18118 1530 1 4 . 1 1 11 11 VAL CB C 11 31.300 31.300 33.650 -2.350 18118 1531 1 4 . 1 1 11 11 VAL H H 11 7.528 7.528 7.315 0.213 18118 1532 1 4 . 1 1 12 12 PHE N N 12 125.723 125.723 122.736 2.987 18118 1533 1 4 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.702 -0.116 18118 1534 1 4 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.478 -1.714 18118 1535 1 4 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.305 -0.607 18118 1536 1 4 . 1 1 12 12 PHE H H 12 8.573 8.573 8.373 0.200 18118 1537 1 4 . 1 1 13 13 LEU N N 13 123.923 123.923 121.350 2.573 18118 1538 1 4 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.323 -0.091 18118 1539 1 4 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.411 -2.050 18118 1540 1 4 . 1 1 13 13 LEU CB C 13 44.651 44.651 45.787 -1.136 18118 1541 1 4 . 1 1 13 13 LEU H H 13 8.794 8.794 7.542 1.252 18118 1542 1 4 . 1 1 14 14 ILE N N 14 114.563 114.563 118.166 -3.603 18118 1543 1 4 . 1 1 14 14 ILE HA H 14 4.891 4.891 4.673 0.218 18118 1544 1 4 . 1 1 14 14 ILE CA C 14 55.381 55.381 59.487 -4.106 18118 1545 1 4 . 1 1 14 14 ILE CB C 14 39.318 39.318 41.653 -2.335 18118 1546 1 4 . 1 1 14 14 ILE H H 14 8.316 8.316 8.487 -0.171 18118 1547 1 4 . 1 1 15 15 ARG N N 15 122.555 122.555 119.753 2.802 18118 1548 1 4 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.002 0.332 18118 1549 1 4 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.569 -3.276 18118 1550 1 4 . 1 1 15 15 ARG CB C 15 31.850 31.850 34.762 -2.912 18118 1551 1 4 . 1 1 15 15 ARG H H 15 9.231 9.231 8.884 0.347 18118 1552 1 4 . 1 1 16 16 ALA N N 16 127.755 127.755 123.343 4.412 18118 1553 1 4 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.095 0.601 18118 1554 1 4 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.740 -3.965 18118 1555 1 4 . 1 1 16 16 ALA CB C 16 18.337 18.337 23.073 -4.736 18118 1556 1 4 . 1 1 16 16 ALA H H 16 9.005 9.005 9.112 -0.107 18118 1557 1 4 . 1 1 17 17 GLN N N 17 121.076 121.076 117.680 3.396 18118 1558 1 4 . 1 1 17 17 GLN HA H 17 5.135 5.135 4.754 0.381 18118 1559 1 4 . 1 1 17 17 GLN CA C 17 51.832 51.832 55.402 -3.570 18118 1560 1 4 . 1 1 17 17 GLN CB C 17 30.738 30.738 29.352 1.386 18118 1561 1 4 . 1 1 17 17 GLN H H 17 9.557 9.557 8.918 0.639 18118 1562 1 4 . 1 1 18 18 GLY N N 18 110.950 110.950 106.926 4.024 18118 1563 1 4 . 1 1 18 18 GLY CA C 18 42.822 42.822 44.599 -1.777 18118 1564 1 4 . 1 1 18 18 GLY H H 18 8.294 8.294 8.053 0.241 18118 1565 1 4 . 1 1 19 19 LEU N N 19 118.809 118.809 123.001 -4.192 18118 1566 1 4 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.277 -0.244 18118 1567 1 4 . 1 1 19 19 LEU CA C 19 50.705 50.705 53.583 -2.878 18118 1568 1 4 . 1 1 19 19 LEU CB C 19 37.568 37.568 41.550 -3.982 18118 1569 1 4 . 1 1 19 19 LEU H H 19 8.292 8.292 7.279 1.013 18118 1570 1 4 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.328 -0.036 18118 1571 1 4 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.438 -2.337 18118 1572 1 4 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.709 -3.510 18118 1573 1 4 . 1 1 21 21 TRP N N 21 124.383 124.383 121.033 3.350 18118 1574 1 4 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.370 0.320 18118 1575 1 4 . 1 1 21 21 TRP CA C 21 56.237 56.237 60.084 -3.847 18118 1576 1 4 . 1 1 21 21 TRP CB C 21 25.965 25.965 29.271 -3.306 18118 1577 1 4 . 1 1 21 21 TRP H H 21 8.527 8.527 8.408 0.119 18118 1578 1 4 . 1 1 22 22 SER N N 22 109.532 109.532 117.079 -7.547 18118 1579 1 4 . 1 1 22 22 SER HA H 22 4.099 4.099 4.638 -0.539 18118 1580 1 4 . 1 1 22 22 SER CA C 22 54.162 54.162 57.060 -2.898 18118 1581 1 4 . 1 1 22 22 SER CB C 22 60.334 60.334 61.759 -1.425 18118 1582 1 4 . 1 1 22 22 SER H H 22 7.436 7.436 8.279 -0.843 18118 1583 1 4 . 1 1 23 23 CYS N N 23 119.744 119.744 122.847 -3.103 18118 1584 1 4 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.377 0.089 18118 1585 1 4 . 1 1 23 23 CYS CA C 23 55.975 55.975 59.032 -3.057 18118 1586 1 4 . 1 1 23 23 CYS CB C 23 25.489 25.489 27.213 -1.724 18118 1587 1 4 . 1 1 23 23 CYS H H 23 7.221 7.221 8.069 -0.848 18118 1588 1 4 . 1 1 24 24 THR N N 24 115.371 115.371 119.287 -3.916 18118 1589 1 4 . 1 1 24 24 THR HA H 24 4.697 4.697 4.537 0.160 18118 1590 1 4 . 1 1 24 24 THR CA C 24 57.172 57.172 59.742 -2.570 18118 1591 1 4 . 1 1 24 24 THR CB C 24 56.222 56.222 71.845 -15.623 18118 1592 1 4 . 1 1 24 24 THR H H 24 9.082 9.082 7.893 1.189 18118 1593 1 4 . 1 1 25 25 MET N N 25 118.539 118.539 121.637 -3.098 18118 1594 1 4 . 1 1 25 25 MET HA H 25 4.161 4.161 4.217 -0.056 18118 1595 1 4 . 1 1 25 25 MET CA C 25 57.241 57.241 59.404 -2.163 18118 1596 1 4 . 1 1 25 25 MET CB C 25 29.452 29.452 32.664 -3.212 18118 1597 1 4 . 1 1 25 25 MET H H 25 8.794 8.794 8.693 0.101 18118 1598 1 4 . 1 1 26 26 GLU N N 26 118.967 118.967 118.949 0.018 18118 1599 1 4 . 1 1 26 26 GLU HA H 26 3.802 3.802 4.007 -0.205 18118 1600 1 4 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.183 -2.936 18118 1601 1 4 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.622 -1.959 18118 1602 1 4 . 1 1 26 26 GLU H H 26 8.462 8.462 8.624 -0.162 18118 1603 1 4 . 1 1 27 27 ASP N N 27 118.711 118.711 116.909 1.802 18118 1604 1 4 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.449 -0.150 18118 1605 1 4 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.044 -1.973 18118 1606 1 4 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.521 -1.865 18118 1607 1 4 . 1 1 27 27 ASP H H 27 7.812 7.812 8.141 -0.329 18118 1608 1 4 . 1 1 28 28 VAL N N 28 120.825 120.825 117.972 2.853 18118 1609 1 4 . 1 1 28 28 VAL HA H 28 3.444 3.444 4.012 -0.568 18118 1610 1 4 . 1 1 28 28 VAL CA C 28 64.841 64.841 64.774 0.067 18118 1611 1 4 . 1 1 28 28 VAL CB C 28 29.052 29.052 32.268 -3.216 18118 1612 1 4 . 1 1 28 28 VAL H H 28 7.528 7.528 7.830 -0.302 18118 1613 1 4 . 1 1 29 29 LEU N N 29 120.586 120.586 120.975 -0.389 18118 1614 1 4 . 1 1 29 29 LEU HA H 29 3.778 3.778 4.031 -0.253 18118 1615 1 4 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.194 -2.212 18118 1616 1 4 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.601 -2.647 18118 1617 1 4 . 1 1 29 29 LEU H H 29 8.399 8.399 8.213 0.186 18118 1618 1 4 . 1 1 30 30 ASN N N 30 114.059 114.059 116.355 -2.296 18118 1619 1 4 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.457 -0.059 18118 1620 1 4 . 1 1 30 30 ASN CA C 30 52.480 52.480 55.673 -3.193 18118 1621 1 4 . 1 1 30 30 ASN CB C 30 36.132 36.132 37.916 -1.784 18118 1622 1 4 . 1 1 30 30 ASN H H 30 8.156 8.156 7.995 0.161 18118 1623 1 4 . 1 1 31 31 PHE N N 31 123.816 123.816 120.821 2.995 18118 1624 1 4 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.127 0.000 18118 1625 1 4 . 1 1 31 31 PHE CA C 31 58.819 58.819 59.891 -1.072 18118 1626 1 4 . 1 1 31 31 PHE CB C 31 37.176 37.176 38.804 -1.629 18118 1627 1 4 . 1 1 31 31 PHE H H 31 8.033 8.033 7.804 0.229 18118 1628 1 4 . 1 1 32 32 PHE N N 32 115.681 115.681 113.891 1.790 18118 1629 1 4 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.451 0.202 18118 1630 1 4 . 1 1 32 32 PHE CA C 32 54.039 54.039 55.046 -1.007 18118 1631 1 4 . 1 1 32 32 PHE CB C 32 35.047 35.047 37.661 -2.614 18118 1632 1 4 . 1 1 32 32 PHE H H 32 7.622 7.622 7.692 -0.070 18118 1633 1 4 . 1 1 33 33 SER N N 33 113.797 113.797 117.015 -3.218 18118 1634 1 4 . 1 1 33 33 SER HA H 33 4.111 4.111 4.181 -0.070 18118 1635 1 4 . 1 1 33 33 SER CA C 33 59.041 59.041 61.622 -2.581 18118 1636 1 4 . 1 1 33 33 SER CB C 33 60.339 60.339 63.337 -2.998 18118 1637 1 4 . 1 1 33 33 SER H H 33 6.834 6.834 7.748 -0.914 18118 1638 1 4 . 1 1 34 34 ASP N N 34 119.155 119.155 121.442 -2.287 18118 1639 1 4 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.803 -0.222 18118 1640 1 4 . 1 1 34 34 ASP CA C 34 51.606 51.606 53.431 -1.825 18118 1641 1 4 . 1 1 34 34 ASP CB C 34 37.727 37.727 40.549 -2.822 18118 1642 1 4 . 1 1 34 34 ASP H H 34 8.717 8.717 8.586 0.131 18118 1643 1 4 . 1 1 35 35 CYS N N 35 117.269 117.269 116.693 0.576 18118 1644 1 4 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.656 -0.148 18118 1645 1 4 . 1 1 35 35 CYS CA C 35 54.961 54.961 57.196 -2.235 18118 1646 1 4 . 1 1 35 35 CYS CB C 35 27.986 27.986 30.867 -2.881 18118 1647 1 4 . 1 1 35 35 CYS H H 35 8.009 8.009 7.793 0.216 18118 1648 1 4 . 1 1 36 36 ARG N N 36 123.980 123.980 120.920 3.060 18118 1649 1 4 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.619 -0.330 18118 1650 1 4 . 1 1 36 36 ARG CA C 36 52.728 52.728 55.130 -2.402 18118 1651 1 4 . 1 1 36 36 ARG CB C 36 26.279 26.279 32.937 -6.658 18118 1652 1 4 . 1 1 36 36 ARG H H 36 8.666 8.666 8.496 0.170 18118 1653 1 4 . 1 1 37 37 ILE N N 37 128.014 128.014 124.169 3.845 18118 1654 1 4 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.167 0.044 18118 1655 1 4 . 1 1 37 37 ILE CA C 37 58.579 58.579 60.786 -2.207 18118 1656 1 4 . 1 1 37 37 ILE CB C 37 36.026 36.026 39.574 -3.548 18118 1657 1 4 . 1 1 37 37 ILE H H 37 8.084 8.084 8.521 -0.437 18118 1658 1 4 . 1 1 38 38 ARG N N 38 133.264 133.264 124.028 9.236 18118 1659 1 4 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.138 -0.293 18118 1660 1 4 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.235 -2.468 18118 1661 1 4 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.253 -2.424 18118 1662 1 4 . 1 1 38 38 ARG H H 38 8.662 8.662 8.567 0.095 18118 1663 1 4 . 1 1 39 39 ASN N N 39 117.723 117.723 122.847 -5.124 18118 1664 1 4 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.401 -0.219 18118 1665 1 4 . 1 1 39 39 ASN CA C 39 51.702 51.702 55.907 -4.205 18118 1666 1 4 . 1 1 39 39 ASN CB C 39 34.846 34.846 38.595 -3.749 18118 1667 1 4 . 1 1 39 39 ASN H H 39 8.992 8.992 8.748 0.244 18118 1668 1 4 . 1 1 40 40 GLY N N 40 108.314 108.314 109.010 -0.696 18118 1669 1 4 . 1 1 40 40 GLY CA C 40 44.283 44.283 45.090 -0.807 18118 1670 1 4 . 1 1 40 40 GLY H H 40 7.949 7.949 7.686 0.263 18118 1671 1 4 . 1 1 41 41 GLU N N 41 124.398 124.398 118.748 5.650 18118 1672 1 4 . 1 1 41 41 GLU HA H 41 3.812 3.812 3.829 -0.017 18118 1673 1 4 . 1 1 41 41 GLU CA C 41 56.741 56.741 57.933 -1.192 18118 1674 1 4 . 1 1 41 41 GLU CB C 41 26.718 26.718 27.913 -1.196 18118 1675 1 4 . 1 1 41 41 GLU H H 41 9.235 9.235 8.574 0.661 18118 1676 1 4 . 1 1 42 42 ASN N N 42 113.155 113.155 115.765 -2.610 18118 1677 1 4 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.855 -0.348 18118 1678 1 4 . 1 1 42 42 ASN CA C 42 51.901 51.901 53.209 -1.308 18118 1679 1 4 . 1 1 42 42 ASN CB C 42 36.065 36.065 40.103 -4.038 18118 1680 1 4 . 1 1 42 42 ASN H H 42 7.523 7.523 8.167 -0.644 18118 1681 1 4 . 1 1 43 43 GLY N N 43 109.898 109.898 107.364 2.534 18118 1682 1 4 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.882 -2.321 18118 1683 1 4 . 1 1 43 43 GLY H H 43 8.131 8.131 8.054 0.077 18118 1684 1 4 . 1 1 44 44 ILE N N 44 119.116 119.116 122.382 -3.266 18118 1685 1 4 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.487 -0.710 18118 1686 1 4 . 1 1 44 44 ILE CA C 44 58.280 58.280 60.323 -2.043 18118 1687 1 4 . 1 1 44 44 ILE CB C 44 36.145 36.145 37.343 -1.198 18118 1688 1 4 . 1 1 44 44 ILE H H 44 6.715 6.715 7.512 -0.797 18118 1689 1 4 . 1 1 45 45 HIS N N 45 124.064 124.064 128.420 -4.356 18118 1690 1 4 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.149 0.734 18118 1691 1 4 . 1 1 45 45 HIS CA C 45 49.681 49.681 54.726 -5.045 18118 1692 1 4 . 1 1 45 45 HIS CB C 45 25.934 25.934 28.854 -2.920 18118 1693 1 4 . 1 1 45 45 HIS H H 45 8.493 8.493 8.509 -0.016 18118 1694 1 4 . 1 1 46 46 PHE N N 46 123.886 123.886 123.471 0.415 18118 1695 1 4 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.563 0.000 18118 1696 1 4 . 1 1 46 46 PHE CA C 46 57.122 57.122 57.182 -0.060 18118 1697 1 4 . 1 1 46 46 PHE CB C 46 36.299 36.299 38.979 -2.680 18118 1698 1 4 . 1 1 46 46 PHE H H 46 9.014 9.014 7.087 1.927 18118 1699 1 4 . 1 1 47 47 LEU N N 47 124.343 124.343 120.835 3.508 18118 1700 1 4 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.641 -0.137 18118 1701 1 4 . 1 1 47 47 LEU CA C 47 51.885 51.885 53.864 -1.979 18118 1702 1 4 . 1 1 47 47 LEU CB C 47 38.896 38.896 44.101 -5.205 18118 1703 1 4 . 1 1 47 47 LEU H H 47 8.066 8.066 8.401 -0.335 18118 1704 1 4 . 1 1 48 48 LEU N N 48 122.809 122.809 117.389 5.420 18118 1705 1 4 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.439 0.386 18118 1706 1 4 . 1 1 48 48 LEU CA C 48 50.930 50.930 54.206 -3.276 18118 1707 1 4 . 1 1 48 48 LEU CB C 48 41.655 41.655 44.467 -2.812 18118 1708 1 4 . 1 1 48 48 LEU H H 48 8.754 8.754 8.119 0.635 18118 1709 1 4 . 1 1 49 49 ASN N N 49 119.420 119.420 117.972 1.448 18118 1710 1 4 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.937 -0.146 18118 1711 1 4 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.846 -4.251 18118 1712 1 4 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.615 -2.880 18118 1713 1 4 . 1 1 49 49 ASN H H 49 8.757 8.757 8.316 0.441 18118 1714 1 4 . 1 1 50 50 ARG N N 50 119.367 119.367 119.759 -0.392 18118 1715 1 4 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.127 -0.101 18118 1716 1 4 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.381 -2.463 18118 1717 1 4 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.999 -2.805 18118 1718 1 4 . 1 1 50 50 ARG H H 50 8.618 8.618 8.728 -0.110 18118 1719 1 4 . 1 1 51 51 ASP N N 51 116.650 116.650 116.053 0.597 18118 1720 1 4 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.735 -0.150 18118 1721 1 4 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.290 -2.010 18118 1722 1 4 . 1 1 51 51 ASP CB C 51 38.544 38.544 40.891 -2.347 18118 1723 1 4 . 1 1 51 51 ASP H H 51 7.577 7.577 7.750 -0.173 18118 1724 1 4 . 1 1 52 52 GLY N N 52 107.719 107.719 107.824 -0.105 18118 1725 1 4 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.698 -2.357 18118 1726 1 4 . 1 1 52 52 GLY H H 52 8.171 8.171 8.059 0.112 18118 1727 1 4 . 1 1 53 53 LYS N N 53 119.174 119.174 119.435 -0.261 18118 1728 1 4 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.294 0.125 18118 1729 1 4 . 1 1 53 53 LYS CA C 53 51.788 51.788 56.005 -4.216 18118 1730 1 4 . 1 1 53 53 LYS CB C 53 30.976 30.976 30.157 0.819 18118 1731 1 4 . 1 1 53 53 LYS H H 53 7.750 7.750 8.401 -0.651 18118 1732 1 4 . 1 1 54 54 ARG N N 54 121.126 121.126 119.936 1.190 18118 1733 1 4 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.469 -0.300 18118 1734 1 4 . 1 1 54 54 ARG CA C 54 54.949 54.949 55.819 -0.870 18118 1735 1 4 . 1 1 54 54 ARG CB C 54 28.054 28.054 32.693 -4.638 18118 1736 1 4 . 1 1 54 54 ARG H H 54 8.570 8.570 8.467 0.103 18118 1737 1 4 . 1 1 55 55 ARG N N 55 121.856 121.856 119.676 2.180 18118 1738 1 4 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.352 -0.311 18118 1739 1 4 . 1 1 55 55 ARG CA C 55 53.172 53.172 55.317 -2.145 18118 1740 1 4 . 1 1 55 55 ARG CB C 55 29.692 29.692 30.700 -1.008 18118 1741 1 4 . 1 1 55 55 ARG H H 55 8.352 8.352 8.212 0.140 18118 1742 1 4 . 1 1 56 56 GLY N N 56 108.554 108.554 107.860 0.694 18118 1743 1 4 . 1 1 56 56 GLY CA C 56 43.461 43.461 45.551 -2.090 18118 1744 1 4 . 1 1 56 56 GLY H H 56 8.683 8.683 8.916 -0.233 18118 1745 1 4 . 1 1 57 57 ASP N N 57 117.136 117.136 116.721 0.415 18118 1746 1 4 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.241 0.516 18118 1747 1 4 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.567 -3.323 18118 1748 1 4 . 1 1 57 57 ASP CB C 57 41.265 41.265 43.074 -1.809 18118 1749 1 4 . 1 1 57 57 ASP H H 57 8.018 8.018 7.647 0.371 18118 1750 1 4 . 1 1 58 58 ALA N N 58 122.425 122.425 123.109 -0.684 18118 1751 1 4 . 1 1 58 58 ALA HA H 58 5.105 5.105 5.051 0.054 18118 1752 1 4 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.700 -3.342 18118 1753 1 4 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.807 -3.363 18118 1754 1 4 . 1 1 58 58 ALA H H 58 9.137 9.137 8.771 0.366 18118 1755 1 4 . 1 1 59 59 LEU N N 59 121.454 121.454 119.274 2.180 18118 1756 1 4 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.229 0.018 18118 1757 1 4 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.784 -3.426 18118 1758 1 4 . 1 1 59 59 LEU CB C 59 42.166 42.166 46.690 -4.524 18118 1759 1 4 . 1 1 59 59 LEU H H 59 8.604 8.604 8.672 -0.068 18118 1760 1 4 . 1 1 60 60 ILE N N 60 123.974 123.974 120.204 3.770 18118 1761 1 4 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.713 0.125 18118 1762 1 4 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.977 -1.593 18118 1763 1 4 . 1 1 60 60 ILE CB C 60 38.147 38.147 39.475 -1.328 18118 1764 1 4 . 1 1 60 60 ILE H H 60 9.081 9.081 9.150 -0.069 18118 1765 1 4 . 1 1 61 61 GLU N N 61 126.177 126.177 127.820 -1.643 18118 1766 1 4 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.413 0.132 18118 1767 1 4 . 1 1 61 61 GLU CA C 61 52.464 52.464 56.434 -3.970 18118 1768 1 4 . 1 1 61 61 GLU CB C 61 29.517 29.517 29.619 -0.102 18118 1769 1 4 . 1 1 61 61 GLU H H 61 8.832 8.832 8.876 -0.044 18118 1770 1 4 . 1 1 62 62 MET N N 62 121.191 121.191 126.196 -5.005 18118 1771 1 4 . 1 1 62 62 MET HA H 62 5.131 5.131 4.451 0.680 18118 1772 1 4 . 1 1 62 62 MET CA C 62 49.938 49.938 55.276 -5.338 18118 1773 1 4 . 1 1 62 62 MET CB C 62 30.874 30.874 33.761 -2.887 18118 1774 1 4 . 1 1 62 62 MET H H 62 8.854 8.854 7.916 0.938 18118 1775 1 4 . 1 1 63 63 GLU N N 63 117.598 117.598 120.606 -3.008 18118 1776 1 4 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.178 -0.107 18118 1777 1 4 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.582 -1.427 18118 1778 1 4 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.614 -2.534 18118 1779 1 4 . 1 1 63 63 GLU H H 63 8.092 8.092 8.408 -0.316 18118 1780 1 4 . 1 1 64 64 SER N N 64 109.627 109.627 110.582 -0.955 18118 1781 1 4 . 1 1 64 64 SER HA H 64 4.113 4.113 3.515 0.598 18118 1782 1 4 . 1 1 64 64 SER CA C 64 54.607 54.607 56.242 -1.635 18118 1783 1 4 . 1 1 64 64 SER CB C 64 65.273 65.273 65.608 -0.335 18118 1784 1 4 . 1 1 64 64 SER H H 64 7.710 7.710 7.449 0.261 18118 1785 1 4 . 1 1 65 65 GLU N N 65 121.394 121.394 122.639 -1.245 18118 1786 1 4 . 1 1 65 65 GLU HA H 65 3.485 3.485 3.988 -0.503 18118 1787 1 4 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.340 -4.240 18118 1788 1 4 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.811 -3.530 18118 1789 1 4 . 1 1 65 65 GLU H H 65 8.364 8.364 8.336 0.028 18118 1790 1 4 . 1 1 66 66 GLN N N 66 118.987 118.987 117.339 1.648 18118 1791 1 4 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.019 -0.117 18118 1792 1 4 . 1 1 66 66 GLN CA C 66 56.438 56.438 58.925 -2.487 18118 1793 1 4 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.232 -2.838 18118 1794 1 4 . 1 1 66 66 GLN H H 66 7.979 7.979 8.463 -0.484 18118 1795 1 4 . 1 1 67 67 ASP N N 67 118.539 118.539 118.498 0.041 18118 1796 1 4 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.550 -0.216 18118 1797 1 4 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.315 -0.588 18118 1798 1 4 . 1 1 67 67 ASP CB C 67 41.607 41.607 40.931 0.676 18118 1799 1 4 . 1 1 67 67 ASP H H 67 7.325 7.325 7.804 -0.479 18118 1800 1 4 . 1 1 68 68 VAL N N 68 119.502 119.502 121.407 -1.905 18118 1801 1 4 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.438 -0.263 18118 1802 1 4 . 1 1 68 68 VAL CA C 68 64.830 64.830 66.588 -1.758 18118 1803 1 4 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.924 -3.090 18118 1804 1 4 . 1 1 68 68 VAL H H 68 7.165 7.165 7.076 0.089 18118 1805 1 4 . 1 1 69 69 GLN N N 69 115.899 115.899 117.955 -2.056 18118 1806 1 4 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.995 -0.261 18118 1807 1 4 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.759 -2.355 18118 1808 1 4 . 1 1 69 69 GLN CB C 69 25.212 25.212 28.048 -2.836 18118 1809 1 4 . 1 1 69 69 GLN H H 69 7.718 7.718 8.420 -0.702 18118 1810 1 4 . 1 1 70 70 LYS N N 70 118.403 118.403 116.544 1.859 18118 1811 1 4 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.078 -0.150 18118 1812 1 4 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.678 -2.741 18118 1813 1 4 . 1 1 70 70 LYS CB C 70 29.946 29.946 32.186 -2.240 18118 1814 1 4 . 1 1 70 70 LYS H H 70 7.767 7.767 7.501 0.266 18118 1815 1 4 . 1 1 71 71 ALA N N 71 124.650 124.650 119.868 4.782 18118 1816 1 4 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.236 -0.209 18118 1817 1 4 . 1 1 71 71 ALA CA C 71 52.743 52.743 53.847 -1.104 18118 1818 1 4 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.701 -2.587 18118 1819 1 4 . 1 1 71 71 ALA H H 71 8.160 8.160 7.419 0.741 18118 1820 1 4 . 1 1 72 72 LEU N N 72 116.557 116.557 119.607 -3.050 18118 1821 1 4 . 1 1 72 72 LEU HA H 72 3.794 3.794 4.165 -0.371 18118 1822 1 4 . 1 1 72 72 LEU CA C 72 54.664 54.664 56.999 -2.335 18118 1823 1 4 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.527 -2.694 18118 1824 1 4 . 1 1 72 72 LEU H H 72 8.055 8.055 8.165 -0.110 18118 1825 1 4 . 1 1 73 73 GLU N N 73 117.807 117.807 118.895 -1.088 18118 1826 1 4 . 1 1 73 73 GLU HA H 73 4.090 4.090 4.049 0.041 18118 1827 1 4 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.519 -4.057 18118 1828 1 4 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.224 -2.418 18118 1829 1 4 . 1 1 73 73 GLU H H 73 7.369 7.369 8.083 -0.714 18118 1830 1 4 . 1 1 74 74 LYS N N 74 116.715 116.715 116.876 -0.161 18118 1831 1 4 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.440 -0.248 18118 1832 1 4 . 1 1 74 74 LYS CA C 74 51.741 51.741 55.578 -3.837 18118 1833 1 4 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.510 -3.046 18118 1834 1 4 . 1 1 74 74 LYS H H 74 7.805 7.805 7.543 0.262 18118 1835 1 4 . 1 1 75 75 HIS N N 75 117.177 117.177 118.577 -1.400 18118 1836 1 4 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.287 0.041 18118 1837 1 4 . 1 1 75 75 HIS CA C 75 55.811 55.811 59.189 -3.378 18118 1838 1 4 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.326 0.257 18118 1839 1 4 . 1 1 75 75 HIS H H 75 7.184 7.184 8.072 -0.888 18118 1840 1 4 . 1 1 76 76 ARG N N 76 121.753 121.753 117.544 4.209 18118 1841 1 4 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.431 -0.125 18118 1842 1 4 . 1 1 76 76 ARG CA C 76 55.719 55.719 56.006 -0.287 18118 1843 1 4 . 1 1 76 76 ARG CB C 76 33.288 33.288 30.794 2.494 18118 1844 1 4 . 1 1 76 76 ARG H H 76 9.042 9.042 7.792 1.250 18118 1845 1 4 . 1 1 77 77 MET N N 77 117.206 117.206 119.414 -2.208 18118 1846 1 4 . 1 1 77 77 MET HA H 77 4.598 4.598 4.697 -0.099 18118 1847 1 4 . 1 1 77 77 MET CA C 77 52.590 52.590 54.882 -2.292 18118 1848 1 4 . 1 1 77 77 MET CB C 77 31.234 31.234 34.479 -3.245 18118 1849 1 4 . 1 1 77 77 MET H H 77 7.835 7.835 8.124 -0.289 18118 1850 1 4 . 1 1 78 78 TYR N N 78 117.960 117.960 116.227 1.733 18118 1851 1 4 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.802 -0.200 18118 1852 1 4 . 1 1 78 78 TYR CA C 78 56.028 56.028 56.132 -0.104 18118 1853 1 4 . 1 1 78 78 TYR CB C 78 37.334 37.334 40.604 -3.270 18118 1854 1 4 . 1 1 78 78 TYR H H 78 8.359 8.359 8.199 0.160 18118 1855 1 4 . 1 1 79 79 MET N N 79 124.673 124.673 121.588 3.085 18118 1856 1 4 . 1 1 79 79 MET HA H 79 4.325 4.325 4.404 -0.079 18118 1857 1 4 . 1 1 79 79 MET CA C 79 52.338 52.338 55.431 -3.093 18118 1858 1 4 . 1 1 79 79 MET CB C 79 31.907 31.907 35.975 -4.068 18118 1859 1 4 . 1 1 79 79 MET H H 79 8.642 8.642 8.382 0.260 18118 1860 1 4 . 1 1 80 80 GLY N N 80 115.191 115.191 115.047 0.144 18118 1861 1 4 . 1 1 80 80 GLY CA C 80 44.426 44.426 45.954 -1.528 18118 1862 1 4 . 1 1 80 80 GLY H H 80 8.709 8.709 8.437 0.272 18118 1863 1 4 . 1 1 81 81 GLN N N 81 121.981 121.981 121.894 0.087 18118 1864 1 4 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.241 -0.094 18118 1865 1 4 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.276 -1.719 18118 1866 1 4 . 1 1 81 81 GLN CB C 81 26.736 26.736 29.929 -3.193 18118 1867 1 4 . 1 1 81 81 GLN H H 81 8.598 8.598 8.324 0.274 18118 1868 1 4 . 1 1 82 82 ARG N N 82 118.652 118.652 119.206 -0.554 18118 1869 1 4 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.621 -0.121 18118 1870 1 4 . 1 1 82 82 ARG CA C 82 51.593 51.593 54.740 -3.147 18118 1871 1 4 . 1 1 82 82 ARG CB C 82 29.507 29.507 33.826 -4.319 18118 1872 1 4 . 1 1 82 82 ARG H H 82 7.660 7.660 7.522 0.138 18118 1873 1 4 . 1 1 84 84 VAL N N 84 125.216 125.216 122.271 2.945 18118 1874 1 4 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.518 -0.200 18118 1875 1 4 . 1 1 84 84 VAL CA C 84 58.647 58.647 59.872 -1.225 18118 1876 1 4 . 1 1 84 84 VAL CB C 84 31.015 31.015 33.397 -2.382 18118 1877 1 4 . 1 1 84 84 VAL H H 84 8.222 8.222 8.820 -0.598 18118 1878 1 4 . 1 1 86 86 VAL N N 86 120.000 120.000 124.376 -4.376 18118 1879 1 4 . 1 1 86 86 VAL HA H 86 4.807 4.807 4.280 0.527 18118 1880 1 4 . 1 1 86 86 VAL CA C 86 58.928 58.928 61.644 -2.716 18118 1881 1 4 . 1 1 86 86 VAL CB C 86 33.201 33.201 32.261 0.940 18118 1882 1 4 . 1 1 87 87 TYR N N 87 120.377 120.377 126.715 -6.338 18118 1883 1 4 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.780 -0.156 18118 1884 1 4 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.473 -3.029 18118 1885 1 4 . 1 1 87 87 TYR CB C 87 40.105 40.105 43.054 -2.950 18118 1886 1 4 . 1 1 87 87 TYR H H 87 8.731 8.731 8.360 0.371 18118 1887 1 4 . 1 1 88 88 GLU N N 88 122.304 122.304 120.817 1.487 18118 1888 1 4 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.441 -0.091 18118 1889 1 4 . 1 1 88 88 GLU CA C 88 53.640 53.640 55.608 -1.968 18118 1890 1 4 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.480 -2.050 18118 1891 1 4 . 1 1 88 88 GLU H H 88 8.873 8.873 8.679 0.194 18118 1892 1 4 . 1 1 89 89 ILE N N 89 125.082 125.082 119.965 5.117 18118 1893 1 4 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.326 -0.068 18118 1894 1 4 . 1 1 89 89 ILE CA C 89 55.831 55.831 58.947 -3.116 18118 1895 1 4 . 1 1 89 89 ILE CB C 89 34.985 34.985 37.420 -2.435 18118 1896 1 4 . 1 1 89 89 ILE H H 89 7.983 7.983 8.028 -0.045 18118 1897 1 4 . 1 1 90 90 ASN N N 90 126.142 126.142 125.488 0.654 18118 1898 1 4 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.735 -0.144 18118 1899 1 4 . 1 1 90 90 ASN CA C 90 50.615 50.615 53.257 -2.642 18118 1900 1 4 . 1 1 90 90 ASN CB C 90 36.638 36.638 40.339 -3.701 18118 1901 1 4 . 1 1 90 90 ASN H H 90 8.890 8.890 8.731 0.159 18118 1902 1 4 . 1 1 91 91 ASN N N 91 121.333 121.333 120.974 0.359 18118 1903 1 4 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.319 -0.023 18118 1904 1 4 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.721 -2.772 18118 1905 1 4 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.301 -1.996 18118 1906 1 4 . 1 1 91 91 ASN H H 91 8.867 8.867 8.991 -0.124 18118 1907 1 4 . 1 1 92 92 GLU N N 92 117.848 117.848 116.588 1.260 18118 1908 1 4 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.061 0.031 18118 1909 1 4 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.771 -3.220 18118 1910 1 4 . 1 1 92 92 GLU CB C 92 26.767 26.767 29.174 -2.407 18118 1911 1 4 . 1 1 92 92 GLU H H 92 8.869 8.869 8.696 0.173 18118 1912 1 4 . 1 1 93 93 ASP N N 93 118.819 118.819 115.754 3.065 18118 1913 1 4 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.843 -0.191 18118 1914 1 4 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.069 -1.932 18118 1915 1 4 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.368 -1.846 18118 1916 1 4 . 1 1 93 93 ASP H H 93 7.965 7.965 8.304 -0.339 18118 1917 1 4 . 1 1 94 94 VAL N N 94 120.480 120.480 121.311 -0.831 18118 1918 1 4 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.693 -0.419 18118 1919 1 4 . 1 1 94 94 VAL CA C 94 64.179 64.179 66.486 -2.307 18118 1920 1 4 . 1 1 94 94 VAL CB C 94 29.477 29.477 31.752 -2.275 18118 1921 1 4 . 1 1 94 94 VAL H H 94 7.406 7.406 7.690 -0.284 18118 1922 1 4 . 1 1 95 95 ASP N N 95 119.806 119.806 120.027 -0.221 18118 1923 1 4 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.325 -0.170 18118 1924 1 4 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.319 -2.103 18118 1925 1 4 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.405 -1.778 18118 1926 1 4 . 1 1 95 95 ASP H H 95 8.342 8.342 7.599 0.743 18118 1927 1 4 . 1 1 96 96 ALA N N 96 119.946 119.946 121.320 -1.374 18118 1928 1 4 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.158 -0.232 18118 1929 1 4 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.390 -2.250 18118 1930 1 4 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.490 -2.814 18118 1931 1 4 . 1 1 96 96 ALA H H 96 8.162 8.162 8.271 -0.109 18118 1932 1 4 . 1 1 97 97 LEU N N 97 119.391 119.391 120.281 -0.890 18118 1933 1 4 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.898 0.087 18118 1934 1 4 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.494 -2.663 18118 1935 1 4 . 1 1 97 97 LEU CB C 97 39.438 39.438 41.935 -2.497 18118 1936 1 4 . 1 1 97 97 LEU H H 97 7.679 7.679 7.225 0.454 18118 1937 1 4 . 1 1 98 98 MET N N 98 118.055 118.055 115.246 2.809 18118 1938 1 4 . 1 1 98 98 MET HA H 98 4.128 4.128 4.073 0.055 18118 1939 1 4 . 1 1 98 98 MET CA C 98 54.606 54.606 57.925 -3.319 18118 1940 1 4 . 1 1 98 98 MET CB C 98 27.902 27.902 31.469 -3.567 18118 1941 1 4 . 1 1 98 98 MET H H 98 8.504 8.504 7.992 0.512 18118 1942 1 4 . 1 1 99 99 LYS N N 99 119.351 119.351 119.373 -0.022 18118 1943 1 4 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.109 -0.138 18118 1944 1 4 . 1 1 99 99 LYS CA C 99 56.301 56.301 58.160 -1.859 18118 1945 1 4 . 1 1 99 99 LYS CB C 99 29.692 29.692 31.561 -1.869 18118 1946 1 4 . 1 1 99 99 LYS H H 99 7.986 7.986 7.707 0.279 18118 1947 1 4 . 1 1 100 100 SER N N 100 114.964 114.964 113.957 1.007 18118 1948 1 4 . 1 1 100 100 SER HA H 100 4.268 4.268 4.275 -0.007 18118 1949 1 4 . 1 1 100 100 SER CA C 100 57.764 57.764 60.218 -2.454 18118 1950 1 4 . 1 1 100 100 SER CB C 100 60.753 60.753 62.835 -2.082 18118 1951 1 4 . 1 1 100 100 SER H H 100 7.711 7.711 7.948 -0.237 18118 1952 1 4 . 1 1 101 101 LEU N N 101 120.679 120.679 120.002 0.677 18118 1953 1 4 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.707 -0.547 18118 1954 1 4 . 1 1 101 101 LEU CA C 101 52.893 52.893 53.597 -0.704 18118 1955 1 4 . 1 1 101 101 LEU CB C 101 39.541 39.541 41.484 -1.943 18118 1956 1 4 . 1 1 101 101 LEU H H 101 7.405 7.405 7.275 0.130 18118 1957 1 4 . 1 1 102 102 GLN N N 102 117.646 117.646 121.475 -3.829 18118 1958 1 4 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.349 -0.154 18118 1959 1 4 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.771 -2.411 18118 1960 1 4 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.708 -1.228 18118 1961 1 4 . 1 1 102 102 GLN H H 102 7.588 7.588 8.152 -0.564 18118 1962 1 4 . 1 1 103 103 VAL N N 103 120.269 120.269 119.043 1.226 18118 1963 1 4 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.244 -0.229 18118 1964 1 4 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.843 -3.088 18118 1965 1 4 . 1 1 103 103 VAL CB C 103 30.579 30.579 31.917 -1.338 18118 1966 1 4 . 1 1 103 103 VAL H H 103 7.839 7.839 7.525 0.314 18118 1967 1 4 . 1 1 104 104 LYS N N 104 125.201 125.201 124.899 0.302 18118 1968 1 4 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.573 -0.230 18118 1969 1 4 . 1 1 104 104 LYS CA C 104 53.348 53.348 55.665 -2.317 18118 1970 1 4 . 1 1 104 104 LYS CB C 104 30.634 30.634 34.656 -4.022 18118 1971 1 4 . 1 1 104 104 LYS H H 104 8.364 8.364 7.994 0.370 18118 1972 1 4 . 1 1 105 105 SER N N 105 117.664 117.664 118.822 -1.158 18118 1973 1 4 . 1 1 105 105 SER HA H 105 4.401 4.401 4.623 -0.222 18118 1974 1 4 . 1 1 105 105 SER CA C 105 55.611 55.611 58.948 -3.337 18118 1975 1 4 . 1 1 105 105 SER CB C 105 61.286 61.286 63.329 -2.043 18118 1976 1 4 . 1 1 105 105 SER H H 105 8.354 8.354 8.503 -0.149 18118 1977 1 5 . 1 1 2 2 SER N N 2 118.867 118.867 115.043 3.824 18118 1978 1 5 . 1 1 2 2 SER HA H 2 4.707 4.707 4.361 0.346 18118 1979 1 5 . 1 1 2 2 SER CA C 2 55.678 55.678 58.940 -3.261 18118 1980 1 5 . 1 1 2 2 SER CB C 2 61.009 61.009 63.854 -2.845 18118 1981 1 5 . 1 1 2 2 SER H H 2 8.195 8.195 8.617 -0.422 18118 1982 1 5 . 1 1 3 3 LYS N N 3 123.188 123.188 122.635 0.553 18118 1983 1 5 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.313 -2.605 18118 1984 1 5 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.862 -2.489 18118 1985 1 5 . 1 1 3 3 LYS H H 3 8.427 8.427 8.621 -0.194 18118 1986 1 5 . 1 1 4 4 LEU N N 4 123.342 123.342 123.560 -0.218 18118 1987 1 5 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.890 -0.686 18118 1988 1 5 . 1 1 4 4 LEU CA C 4 52.990 52.990 54.020 -1.030 18118 1989 1 5 . 1 1 4 4 LEU CB C 4 39.667 39.667 45.079 -5.412 18118 1990 1 5 . 1 1 4 4 LEU H H 4 8.311 8.311 8.420 -0.109 18118 1991 1 5 . 1 1 5 5 GLU N N 5 120.431 120.431 119.974 0.457 18118 1992 1 5 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.541 -0.384 18118 1993 1 5 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.007 -1.776 18118 1994 1 5 . 1 1 5 5 GLU CB C 5 27.847 27.847 29.625 -1.778 18118 1995 1 5 . 1 1 5 5 GLU H H 5 8.321 8.321 8.650 -0.329 18118 1996 1 5 . 1 1 6 6 GLU N N 6 120.027 120.027 122.246 -2.219 18118 1997 1 5 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.401 -0.210 18118 1998 1 5 . 1 1 6 6 GLU CA C 6 53.842 53.842 56.049 -2.207 18118 1999 1 5 . 1 1 6 6 GLU CB C 6 27.723 27.723 30.930 -3.207 18118 2000 1 5 . 1 1 6 6 GLU H H 6 8.177 8.177 8.332 -0.155 18118 2001 1 5 . 1 1 7 7 GLU N N 7 121.663 121.663 123.809 -2.146 18118 2002 1 5 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.599 -0.408 18118 2003 1 5 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.102 -2.423 18118 2004 1 5 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.369 -1.821 18118 2005 1 5 . 1 1 7 7 GLU H H 7 8.228 8.228 8.568 -0.340 18118 2006 1 5 . 1 1 8 8 VAL N N 8 120.733 120.733 118.589 2.144 18118 2007 1 5 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.288 -0.202 18118 2008 1 5 . 1 1 8 8 VAL CA C 8 59.139 59.139 61.197 -2.058 18118 2009 1 5 . 1 1 8 8 VAL CB C 8 30.700 30.700 33.009 -2.309 18118 2010 1 5 . 1 1 8 8 VAL H H 8 8.102 8.102 7.757 0.345 18118 2011 1 5 . 1 1 9 9 ASP N N 9 124.190 124.190 119.088 5.102 18118 2012 1 5 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.586 -0.029 18118 2013 1 5 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.383 -3.203 18118 2014 1 5 . 1 1 9 9 ASP CB C 9 38.781 38.781 42.034 -3.253 18118 2015 1 5 . 1 1 9 9 ASP H H 9 8.313 8.313 8.199 0.114 18118 2016 1 5 . 1 1 10 10 ASP N N 10 120.966 120.966 119.748 1.218 18118 2017 1 5 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.309 0.070 18118 2018 1 5 . 1 1 10 10 ASP CA C 10 51.555 51.555 54.227 -2.672 18118 2019 1 5 . 1 1 10 10 ASP CB C 10 39.138 39.138 39.812 -0.674 18118 2020 1 5 . 1 1 10 10 ASP H H 10 8.106 8.106 8.418 -0.312 18118 2021 1 5 . 1 1 11 11 VAL N N 11 119.321 119.321 120.645 -1.324 18118 2022 1 5 . 1 1 11 11 VAL HA H 11 3.919 3.919 3.974 -0.055 18118 2023 1 5 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.277 -2.556 18118 2024 1 5 . 1 1 11 11 VAL CB C 11 31.300 31.300 33.264 -1.964 18118 2025 1 5 . 1 1 11 11 VAL H H 11 7.528 7.528 7.073 0.455 18118 2026 1 5 . 1 1 12 12 PHE N N 12 125.723 125.723 127.102 -1.379 18118 2027 1 5 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.758 -0.172 18118 2028 1 5 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.652 -1.888 18118 2029 1 5 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.844 -1.147 18118 2030 1 5 . 1 1 12 12 PHE H H 12 8.573 8.573 8.285 0.288 18118 2031 1 5 . 1 1 13 13 LEU N N 13 123.923 123.923 120.847 3.076 18118 2032 1 5 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.231 0.001 18118 2033 1 5 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.596 -2.235 18118 2034 1 5 . 1 1 13 13 LEU CB C 13 44.651 44.651 46.134 -1.483 18118 2035 1 5 . 1 1 13 13 LEU H H 13 8.794 8.794 7.626 1.168 18118 2036 1 5 . 1 1 14 14 ILE N N 14 114.563 114.563 114.514 0.049 18118 2037 1 5 . 1 1 14 14 ILE HA H 14 4.891 4.891 5.161 -0.270 18118 2038 1 5 . 1 1 14 14 ILE CA C 14 55.381 55.381 58.801 -3.420 18118 2039 1 5 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.448 -3.130 18118 2040 1 5 . 1 1 14 14 ILE H H 14 8.316 8.316 8.364 -0.048 18118 2041 1 5 . 1 1 15 15 ARG N N 15 122.555 122.555 121.655 0.900 18118 2042 1 5 . 1 1 15 15 ARG HA H 15 5.334 5.334 4.911 0.423 18118 2043 1 5 . 1 1 15 15 ARG CA C 15 51.293 51.293 55.108 -3.815 18118 2044 1 5 . 1 1 15 15 ARG CB C 15 31.850 31.850 33.545 -1.695 18118 2045 1 5 . 1 1 15 15 ARG H H 15 9.231 9.231 8.931 0.300 18118 2046 1 5 . 1 1 16 16 ALA N N 16 127.755 127.755 126.228 1.527 18118 2047 1 5 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.465 0.231 18118 2048 1 5 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.998 -4.223 18118 2049 1 5 . 1 1 16 16 ALA CB C 16 18.337 18.337 20.949 -2.612 18118 2050 1 5 . 1 1 16 16 ALA H H 16 9.005 9.005 8.881 0.124 18118 2051 1 5 . 1 1 17 17 GLN N N 17 121.076 121.076 124.521 -3.445 18118 2052 1 5 . 1 1 17 17 GLN HA H 17 5.135 5.135 4.504 0.631 18118 2053 1 5 . 1 1 17 17 GLN CA C 17 51.832 51.832 55.381 -3.549 18118 2054 1 5 . 1 1 17 17 GLN CB C 17 30.738 30.738 30.123 0.615 18118 2055 1 5 . 1 1 17 17 GLN H H 17 9.557 9.557 8.138 1.419 18118 2056 1 5 . 1 1 18 18 GLY N N 18 110.950 110.950 108.946 2.004 18118 2057 1 5 . 1 1 18 18 GLY CA C 18 42.822 42.822 44.549 -1.727 18118 2058 1 5 . 1 1 18 18 GLY H H 18 8.294 8.294 8.379 -0.085 18118 2059 1 5 . 1 1 19 19 LEU N N 19 118.809 118.809 122.285 -3.476 18118 2060 1 5 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.350 -0.318 18118 2061 1 5 . 1 1 19 19 LEU CA C 19 50.705 50.705 53.531 -2.826 18118 2062 1 5 . 1 1 19 19 LEU CB C 19 37.568 37.568 41.708 -4.140 18118 2063 1 5 . 1 1 19 19 LEU H H 19 8.292 8.292 7.524 0.768 18118 2064 1 5 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.552 -0.260 18118 2065 1 5 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.320 -2.219 18118 2066 1 5 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.711 -3.512 18118 2067 1 5 . 1 1 21 21 TRP N N 21 124.383 124.383 122.131 2.252 18118 2068 1 5 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.404 0.286 18118 2069 1 5 . 1 1 21 21 TRP CA C 21 56.237 56.237 59.537 -3.300 18118 2070 1 5 . 1 1 21 21 TRP CB C 21 25.965 25.965 29.730 -3.764 18118 2071 1 5 . 1 1 21 21 TRP H H 21 8.527 8.527 8.575 -0.048 18118 2072 1 5 . 1 1 22 22 SER N N 22 109.532 109.532 116.416 -6.884 18118 2073 1 5 . 1 1 22 22 SER HA H 22 4.099 4.099 4.694 -0.595 18118 2074 1 5 . 1 1 22 22 SER CA C 22 54.162 54.162 57.462 -3.300 18118 2075 1 5 . 1 1 22 22 SER CB C 22 60.334 60.334 62.362 -2.028 18118 2076 1 5 . 1 1 22 22 SER H H 22 7.436 7.436 7.936 -0.500 18118 2077 1 5 . 1 1 23 23 CYS N N 23 119.744 119.744 123.180 -3.436 18118 2078 1 5 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.452 0.014 18118 2079 1 5 . 1 1 23 23 CYS CA C 23 55.975 55.975 58.786 -2.811 18118 2080 1 5 . 1 1 23 23 CYS CB C 23 25.489 25.489 28.287 -2.798 18118 2081 1 5 . 1 1 23 23 CYS H H 23 7.221 7.221 8.148 -0.927 18118 2082 1 5 . 1 1 24 24 THR N N 24 115.371 115.371 117.034 -1.663 18118 2083 1 5 . 1 1 24 24 THR HA H 24 4.697 4.697 4.472 0.225 18118 2084 1 5 . 1 1 24 24 THR CA C 24 57.172 57.172 61.461 -4.289 18118 2085 1 5 . 1 1 24 24 THR CB C 24 56.222 56.222 71.347 -15.125 18118 2086 1 5 . 1 1 24 24 THR H H 24 9.082 9.082 7.977 1.105 18118 2087 1 5 . 1 1 25 25 MET N N 25 118.539 118.539 122.104 -3.565 18118 2088 1 5 . 1 1 25 25 MET HA H 25 4.161 4.161 4.156 0.005 18118 2089 1 5 . 1 1 25 25 MET CA C 25 57.241 57.241 59.790 -2.549 18118 2090 1 5 . 1 1 25 25 MET CB C 25 29.452 29.452 32.599 -3.147 18118 2091 1 5 . 1 1 25 25 MET H H 25 8.794 8.794 8.900 -0.106 18118 2092 1 5 . 1 1 26 26 GLU N N 26 118.967 118.967 120.412 -1.445 18118 2093 1 5 . 1 1 26 26 GLU HA H 26 3.802 3.802 4.063 -0.261 18118 2094 1 5 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.309 -3.062 18118 2095 1 5 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.813 -2.150 18118 2096 1 5 . 1 1 26 26 GLU H H 26 8.462 8.462 8.619 -0.157 18118 2097 1 5 . 1 1 27 27 ASP N N 27 118.711 118.711 118.074 0.637 18118 2098 1 5 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.406 -0.107 18118 2099 1 5 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.190 -2.119 18118 2100 1 5 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.318 -1.662 18118 2101 1 5 . 1 1 27 27 ASP H H 27 7.812 7.812 8.451 -0.639 18118 2102 1 5 . 1 1 28 28 VAL N N 28 120.825 120.825 120.644 0.181 18118 2103 1 5 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.942 -0.498 18118 2104 1 5 . 1 1 28 28 VAL CA C 28 64.841 64.841 65.145 -0.304 18118 2105 1 5 . 1 1 28 28 VAL CB C 28 29.052 29.052 32.155 -3.103 18118 2106 1 5 . 1 1 28 28 VAL H H 28 7.528 7.528 7.360 0.168 18118 2107 1 5 . 1 1 29 29 LEU N N 29 120.586 120.586 120.682 -0.096 18118 2108 1 5 . 1 1 29 29 LEU HA H 29 3.778 3.778 3.962 -0.184 18118 2109 1 5 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.204 -2.222 18118 2110 1 5 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.455 -2.501 18118 2111 1 5 . 1 1 29 29 LEU H H 29 8.399 8.399 8.463 -0.064 18118 2112 1 5 . 1 1 30 30 ASN N N 30 114.059 114.059 116.894 -2.835 18118 2113 1 5 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.546 -0.148 18118 2114 1 5 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.192 -3.712 18118 2115 1 5 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.773 -2.641 18118 2116 1 5 . 1 1 30 30 ASN H H 30 8.156 8.156 7.876 0.280 18118 2117 1 5 . 1 1 31 31 PHE N N 31 123.816 123.816 123.085 0.731 18118 2118 1 5 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.100 0.027 18118 2119 1 5 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.831 -2.012 18118 2120 1 5 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.019 -1.843 18118 2121 1 5 . 1 1 31 31 PHE H H 31 8.033 8.033 8.194 -0.161 18118 2122 1 5 . 1 1 32 32 PHE N N 32 115.681 115.681 116.768 -1.087 18118 2123 1 5 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.421 0.232 18118 2124 1 5 . 1 1 32 32 PHE CA C 32 54.039 54.039 56.641 -2.602 18118 2125 1 5 . 1 1 32 32 PHE CB C 32 35.047 35.047 36.563 -1.516 18118 2126 1 5 . 1 1 32 32 PHE H H 32 7.622 7.622 8.643 -1.021 18118 2127 1 5 . 1 1 33 33 SER N N 33 113.797 113.797 118.052 -4.255 18118 2128 1 5 . 1 1 33 33 SER HA H 33 4.111 4.111 4.138 -0.027 18118 2129 1 5 . 1 1 33 33 SER CA C 33 59.041 59.041 61.822 -2.781 18118 2130 1 5 . 1 1 33 33 SER CB C 33 60.339 60.339 63.307 -2.968 18118 2131 1 5 . 1 1 33 33 SER H H 33 6.834 6.834 7.687 -0.853 18118 2132 1 5 . 1 1 34 34 ASP N N 34 119.155 119.155 120.374 -1.219 18118 2133 1 5 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.745 -0.164 18118 2134 1 5 . 1 1 34 34 ASP CA C 34 51.606 51.606 54.952 -3.346 18118 2135 1 5 . 1 1 34 34 ASP CB C 34 37.727 37.727 40.743 -3.016 18118 2136 1 5 . 1 1 34 34 ASP H H 34 8.717 8.717 8.609 0.108 18118 2137 1 5 . 1 1 35 35 CYS N N 35 117.269 117.269 116.677 0.592 18118 2138 1 5 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.630 -0.122 18118 2139 1 5 . 1 1 35 35 CYS CA C 35 54.961 54.961 57.218 -2.257 18118 2140 1 5 . 1 1 35 35 CYS CB C 35 27.986 27.986 30.910 -2.924 18118 2141 1 5 . 1 1 35 35 CYS H H 35 8.009 8.009 7.683 0.326 18118 2142 1 5 . 1 1 36 36 ARG N N 36 123.980 123.980 123.712 0.268 18118 2143 1 5 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.581 -0.292 18118 2144 1 5 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.035 -1.307 18118 2145 1 5 . 1 1 36 36 ARG CB C 36 26.279 26.279 29.492 -3.213 18118 2146 1 5 . 1 1 36 36 ARG H H 36 8.666 8.666 8.738 -0.072 18118 2147 1 5 . 1 1 37 37 ILE N N 37 128.014 128.014 124.804 3.210 18118 2148 1 5 . 1 1 37 37 ILE HA H 37 4.211 4.211 3.875 0.336 18118 2149 1 5 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.716 -3.137 18118 2150 1 5 . 1 1 37 37 ILE CB C 37 36.026 36.026 38.681 -2.655 18118 2151 1 5 . 1 1 37 37 ILE H H 37 8.084 8.084 8.557 -0.473 18118 2152 1 5 . 1 1 38 38 ARG N N 38 133.264 133.264 125.998 7.266 18118 2153 1 5 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.066 -0.221 18118 2154 1 5 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.474 -2.707 18118 2155 1 5 . 1 1 38 38 ARG CB C 38 27.829 27.829 31.002 -3.173 18118 2156 1 5 . 1 1 38 38 ARG H H 38 8.662 8.662 8.449 0.213 18118 2157 1 5 . 1 1 39 39 ASN N N 39 117.723 117.723 122.932 -5.209 18118 2158 1 5 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.285 -0.103 18118 2159 1 5 . 1 1 39 39 ASN CA C 39 51.702 51.702 56.439 -4.737 18118 2160 1 5 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.847 -3.001 18118 2161 1 5 . 1 1 39 39 ASN H H 39 8.992 8.992 9.289 -0.297 18118 2162 1 5 . 1 1 40 40 GLY N N 40 108.314 108.314 107.143 1.171 18118 2163 1 5 . 1 1 40 40 GLY CA C 40 44.283 44.283 45.239 -0.956 18118 2164 1 5 . 1 1 40 40 GLY H H 40 7.949 7.949 8.289 -0.340 18118 2165 1 5 . 1 1 41 41 GLU N N 41 124.398 124.398 121.048 3.350 18118 2166 1 5 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.275 -0.463 18118 2167 1 5 . 1 1 41 41 GLU CA C 41 56.741 56.741 57.634 -0.893 18118 2168 1 5 . 1 1 41 41 GLU CB C 41 26.718 26.718 30.006 -3.288 18118 2169 1 5 . 1 1 41 41 GLU H H 41 9.235 9.235 8.459 0.776 18118 2170 1 5 . 1 1 42 42 ASN N N 42 113.155 113.155 119.025 -5.870 18118 2171 1 5 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.649 -0.142 18118 2172 1 5 . 1 1 42 42 ASN CA C 42 51.901 51.901 55.871 -3.970 18118 2173 1 5 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.364 -2.299 18118 2174 1 5 . 1 1 42 42 ASN H H 42 7.523 7.523 8.457 -0.934 18118 2175 1 5 . 1 1 43 43 GLY N N 43 109.898 109.898 107.018 2.880 18118 2176 1 5 . 1 1 43 43 GLY CA C 43 42.561 42.561 45.546 -2.985 18118 2177 1 5 . 1 1 43 43 GLY H H 43 8.131 8.131 7.729 0.402 18118 2178 1 5 . 1 1 44 44 ILE N N 44 119.116 119.116 122.797 -3.681 18118 2179 1 5 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.299 -0.522 18118 2180 1 5 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.087 -3.807 18118 2181 1 5 . 1 1 44 44 ILE CB C 44 36.145 36.145 37.267 -1.122 18118 2182 1 5 . 1 1 44 44 ILE H H 44 6.715 6.715 7.259 -0.544 18118 2183 1 5 . 1 1 45 45 HIS N N 45 124.064 124.064 126.760 -2.696 18118 2184 1 5 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.374 0.509 18118 2185 1 5 . 1 1 45 45 HIS CA C 45 49.681 49.681 54.196 -4.515 18118 2186 1 5 . 1 1 45 45 HIS CB C 45 25.934 25.934 30.929 -4.995 18118 2187 1 5 . 1 1 45 45 HIS H H 45 8.493 8.493 9.034 -0.541 18118 2188 1 5 . 1 1 46 46 PHE N N 46 123.886 123.886 116.548 7.338 18118 2189 1 5 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.918 -0.355 18118 2190 1 5 . 1 1 46 46 PHE CA C 46 57.122 57.122 56.537 0.585 18118 2191 1 5 . 1 1 46 46 PHE CB C 46 36.299 36.299 39.127 -2.828 18118 2192 1 5 . 1 1 46 46 PHE H H 46 9.014 9.014 7.674 1.340 18118 2193 1 5 . 1 1 47 47 LEU N N 47 124.343 124.343 123.663 0.680 18118 2194 1 5 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.198 0.306 18118 2195 1 5 . 1 1 47 47 LEU CA C 47 51.885 51.885 55.042 -3.157 18118 2196 1 5 . 1 1 47 47 LEU CB C 47 38.896 38.896 41.818 -2.922 18118 2197 1 5 . 1 1 47 47 LEU H H 47 8.066 8.066 7.933 0.133 18118 2198 1 5 . 1 1 48 48 LEU N N 48 122.809 122.809 123.341 -0.532 18118 2199 1 5 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.595 0.230 18118 2200 1 5 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.248 -2.318 18118 2201 1 5 . 1 1 48 48 LEU CB C 48 41.655 41.655 44.873 -3.217 18118 2202 1 5 . 1 1 48 48 LEU H H 48 8.754 8.754 7.944 0.810 18118 2203 1 5 . 1 1 49 49 ASN N N 49 119.420 119.420 118.265 1.155 18118 2204 1 5 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.743 0.048 18118 2205 1 5 . 1 1 49 49 ASN CA C 49 48.595 48.595 53.167 -4.572 18118 2206 1 5 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.430 -2.695 18118 2207 1 5 . 1 1 49 49 ASN H H 49 8.757 8.757 8.297 0.460 18118 2208 1 5 . 1 1 50 50 ARG N N 50 119.367 119.367 121.149 -1.782 18118 2209 1 5 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.135 -0.109 18118 2210 1 5 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.568 -2.650 18118 2211 1 5 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.950 -2.756 18118 2212 1 5 . 1 1 50 50 ARG H H 50 8.618 8.618 8.753 -0.135 18118 2213 1 5 . 1 1 51 51 ASP N N 51 116.650 116.650 115.165 1.485 18118 2214 1 5 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.729 -0.144 18118 2215 1 5 . 1 1 51 51 ASP CA C 51 51.280 51.280 52.862 -1.582 18118 2216 1 5 . 1 1 51 51 ASP CB C 51 38.544 38.544 40.997 -2.453 18118 2217 1 5 . 1 1 51 51 ASP H H 51 7.577 7.577 7.875 -0.298 18118 2218 1 5 . 1 1 52 52 GLY N N 52 107.719 107.719 108.265 -0.546 18118 2219 1 5 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.733 -2.392 18118 2220 1 5 . 1 1 52 52 GLY H H 52 8.171 8.171 7.757 0.414 18118 2221 1 5 . 1 1 53 53 LYS N N 53 119.174 119.174 116.995 2.179 18118 2222 1 5 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.628 -0.209 18118 2223 1 5 . 1 1 53 53 LYS CA C 53 51.788 51.788 54.775 -2.987 18118 2224 1 5 . 1 1 53 53 LYS CB C 53 30.976 30.976 34.081 -3.105 18118 2225 1 5 . 1 1 53 53 LYS H H 53 7.750 7.750 8.124 -0.374 18118 2226 1 5 . 1 1 54 54 ARG N N 54 121.126 121.126 121.743 -0.617 18118 2227 1 5 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.260 -0.091 18118 2228 1 5 . 1 1 54 54 ARG CA C 54 54.949 54.949 57.099 -2.150 18118 2229 1 5 . 1 1 54 54 ARG CB C 54 28.054 28.054 31.252 -3.198 18118 2230 1 5 . 1 1 54 54 ARG H H 54 8.570 8.570 8.208 0.362 18118 2231 1 5 . 1 1 55 55 ARG N N 55 121.856 121.856 118.679 3.177 18118 2232 1 5 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.501 -0.460 18118 2233 1 5 . 1 1 55 55 ARG CA C 55 53.172 53.172 54.913 -1.740 18118 2234 1 5 . 1 1 55 55 ARG CB C 55 29.692 29.692 31.640 -1.948 18118 2235 1 5 . 1 1 55 55 ARG H H 55 8.352 8.352 8.120 0.232 18118 2236 1 5 . 1 1 56 56 GLY N N 56 108.554 108.554 110.499 -1.945 18118 2237 1 5 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.703 -1.242 18118 2238 1 5 . 1 1 56 56 GLY H H 56 8.683 8.683 8.631 0.052 18118 2239 1 5 . 1 1 57 57 ASP N N 57 117.136 117.136 120.960 -3.824 18118 2240 1 5 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.467 0.290 18118 2241 1 5 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.471 -3.227 18118 2242 1 5 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.227 -2.962 18118 2243 1 5 . 1 1 57 57 ASP H H 57 8.018 8.018 7.568 0.450 18118 2244 1 5 . 1 1 58 58 ALA N N 58 122.425 122.425 120.081 2.344 18118 2245 1 5 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.840 0.265 18118 2246 1 5 . 1 1 58 58 ALA CA C 58 48.358 48.358 50.344 -1.986 18118 2247 1 5 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.576 -3.132 18118 2248 1 5 . 1 1 58 58 ALA H H 58 9.137 9.137 8.182 0.955 18118 2249 1 5 . 1 1 59 59 LEU N N 59 121.454 121.454 119.294 2.160 18118 2250 1 5 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.367 -0.120 18118 2251 1 5 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.251 -2.893 18118 2252 1 5 . 1 1 59 59 LEU CB C 59 42.166 42.166 46.056 -3.890 18118 2253 1 5 . 1 1 59 59 LEU H H 59 8.604 8.604 7.933 0.671 18118 2254 1 5 . 1 1 60 60 ILE N N 60 123.974 123.974 121.373 2.601 18118 2255 1 5 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.749 0.089 18118 2256 1 5 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.118 -0.734 18118 2257 1 5 . 1 1 60 60 ILE CB C 60 38.147 38.147 40.103 -1.956 18118 2258 1 5 . 1 1 60 60 ILE H H 60 9.081 9.081 9.032 0.049 18118 2259 1 5 . 1 1 61 61 GLU N N 61 126.177 126.177 125.427 0.750 18118 2260 1 5 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.515 0.030 18118 2261 1 5 . 1 1 61 61 GLU CA C 61 52.464 52.464 55.518 -3.054 18118 2262 1 5 . 1 1 61 61 GLU CB C 61 29.517 29.517 30.941 -1.424 18118 2263 1 5 . 1 1 61 61 GLU H H 61 8.832 8.832 8.497 0.335 18118 2264 1 5 . 1 1 62 62 MET N N 62 121.191 121.191 126.144 -4.953 18118 2265 1 5 . 1 1 62 62 MET HA H 62 5.131 5.131 4.515 0.616 18118 2266 1 5 . 1 1 62 62 MET CA C 62 49.938 49.938 53.970 -4.032 18118 2267 1 5 . 1 1 62 62 MET CB C 62 30.874 30.874 34.430 -3.556 18118 2268 1 5 . 1 1 62 62 MET H H 62 8.854 8.854 8.320 0.534 18118 2269 1 5 . 1 1 63 63 GLU N N 63 117.598 117.598 123.314 -5.716 18118 2270 1 5 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.117 -0.046 18118 2271 1 5 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.800 -1.645 18118 2272 1 5 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.516 -2.436 18118 2273 1 5 . 1 1 63 63 GLU H H 63 8.092 8.092 8.624 -0.532 18118 2274 1 5 . 1 1 64 64 SER N N 64 109.627 109.627 108.985 0.642 18118 2275 1 5 . 1 1 64 64 SER HA H 64 4.113 4.113 3.765 0.348 18118 2276 1 5 . 1 1 64 64 SER CA C 64 54.607 54.607 56.962 -2.355 18118 2277 1 5 . 1 1 64 64 SER CB C 64 65.273 65.273 65.696 -0.423 18118 2278 1 5 . 1 1 64 64 SER H H 64 7.710 7.710 7.598 0.112 18118 2279 1 5 . 1 1 65 65 GLU N N 65 121.394 121.394 122.006 -0.612 18118 2280 1 5 . 1 1 65 65 GLU HA H 65 3.485 3.485 3.960 -0.475 18118 2281 1 5 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.752 -4.652 18118 2282 1 5 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.717 -3.435 18118 2283 1 5 . 1 1 65 65 GLU H H 65 8.364 8.364 8.456 -0.092 18118 2284 1 5 . 1 1 66 66 GLN N N 66 118.987 118.987 117.501 1.486 18118 2285 1 5 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.000 -0.098 18118 2286 1 5 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.178 -2.740 18118 2287 1 5 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.120 -2.726 18118 2288 1 5 . 1 1 66 66 GLN H H 66 7.979 7.979 8.432 -0.453 18118 2289 1 5 . 1 1 67 67 ASP N N 67 118.539 118.539 117.648 0.891 18118 2290 1 5 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.485 -0.151 18118 2291 1 5 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.666 -0.939 18118 2292 1 5 . 1 1 67 67 ASP CB C 67 41.607 41.607 41.172 0.435 18118 2293 1 5 . 1 1 67 67 ASP H H 67 7.325 7.325 7.851 -0.526 18118 2294 1 5 . 1 1 68 68 VAL N N 68 119.502 119.502 120.805 -1.303 18118 2295 1 5 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.597 -0.422 18118 2296 1 5 . 1 1 68 68 VAL CA C 68 64.830 64.830 66.099 -1.269 18118 2297 1 5 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.689 -2.855 18118 2298 1 5 . 1 1 68 68 VAL H H 68 7.165 7.165 7.497 -0.332 18118 2299 1 5 . 1 1 69 69 GLN N N 69 115.899 115.899 116.844 -0.945 18118 2300 1 5 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.929 -0.195 18118 2301 1 5 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.017 -1.613 18118 2302 1 5 . 1 1 69 69 GLN CB C 69 25.212 25.212 27.920 -2.708 18118 2303 1 5 . 1 1 69 69 GLN H H 69 7.718 7.718 7.982 -0.264 18118 2304 1 5 . 1 1 70 70 LYS N N 70 118.403 118.403 119.072 -0.669 18118 2305 1 5 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.192 -0.264 18118 2306 1 5 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.572 -2.635 18118 2307 1 5 . 1 1 70 70 LYS CB C 70 29.946 29.946 31.497 -1.551 18118 2308 1 5 . 1 1 70 70 LYS H H 70 7.767 7.767 7.512 0.255 18118 2309 1 5 . 1 1 71 71 ALA N N 71 124.650 124.650 122.421 2.229 18118 2310 1 5 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.217 -0.190 18118 2311 1 5 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.794 -2.051 18118 2312 1 5 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.401 -2.287 18118 2313 1 5 . 1 1 71 71 ALA H H 71 8.160 8.160 7.605 0.555 18118 2314 1 5 . 1 1 72 72 LEU N N 72 116.557 116.557 117.108 -0.551 18118 2315 1 5 . 1 1 72 72 LEU HA H 72 3.794 3.794 3.984 -0.190 18118 2316 1 5 . 1 1 72 72 LEU CA C 72 54.664 54.664 56.265 -1.601 18118 2317 1 5 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.222 -2.389 18118 2318 1 5 . 1 1 72 72 LEU H H 72 8.055 8.055 7.553 0.502 18118 2319 1 5 . 1 1 73 73 GLU N N 73 117.807 117.807 118.803 -0.996 18118 2320 1 5 . 1 1 73 73 GLU HA H 73 4.090 4.090 4.052 0.038 18118 2321 1 5 . 1 1 73 73 GLU CA C 73 55.462 55.462 58.349 -2.887 18118 2322 1 5 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.344 -2.538 18118 2323 1 5 . 1 1 73 73 GLU H H 73 7.369 7.369 7.700 -0.331 18118 2324 1 5 . 1 1 74 74 LYS N N 74 116.715 116.715 116.239 0.476 18118 2325 1 5 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.683 -0.491 18118 2326 1 5 . 1 1 74 74 LYS CA C 74 51.741 51.741 55.224 -3.483 18118 2327 1 5 . 1 1 74 74 LYS CB C 74 28.464 28.464 32.130 -3.666 18118 2328 1 5 . 1 1 74 74 LYS H H 74 7.805 7.805 7.681 0.124 18118 2329 1 5 . 1 1 75 75 HIS N N 75 117.177 117.177 116.426 0.751 18118 2330 1 5 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.582 -0.254 18118 2331 1 5 . 1 1 75 75 HIS CA C 75 55.811 55.811 57.066 -1.255 18118 2332 1 5 . 1 1 75 75 HIS CB C 75 29.583 29.583 28.912 0.671 18118 2333 1 5 . 1 1 75 75 HIS H H 75 7.184 7.184 8.168 -0.984 18118 2334 1 5 . 1 1 76 76 ARG N N 76 121.753 121.753 119.119 2.634 18118 2335 1 5 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.440 -0.134 18118 2336 1 5 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.805 -0.086 18118 2337 1 5 . 1 1 76 76 ARG CB C 76 33.288 33.288 32.143 1.145 18118 2338 1 5 . 1 1 76 76 ARG H H 76 9.042 9.042 8.089 0.953 18118 2339 1 5 . 1 1 77 77 MET N N 77 117.206 117.206 119.121 -1.915 18118 2340 1 5 . 1 1 77 77 MET HA H 77 4.598 4.598 4.854 -0.256 18118 2341 1 5 . 1 1 77 77 MET CA C 77 52.590 52.590 54.519 -1.929 18118 2342 1 5 . 1 1 77 77 MET CB C 77 31.234 31.234 35.047 -3.813 18118 2343 1 5 . 1 1 77 77 MET H H 77 7.835 7.835 8.218 -0.383 18118 2344 1 5 . 1 1 78 78 TYR N N 78 117.960 117.960 117.762 0.198 18118 2345 1 5 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.954 -0.351 18118 2346 1 5 . 1 1 78 78 TYR CA C 78 56.028 56.028 54.951 1.077 18118 2347 1 5 . 1 1 78 78 TYR CB C 78 37.334 37.334 40.655 -3.321 18118 2348 1 5 . 1 1 78 78 TYR H H 78 8.359 8.359 8.479 -0.120 18118 2349 1 5 . 1 1 79 79 MET N N 79 124.673 124.673 120.270 4.403 18118 2350 1 5 . 1 1 79 79 MET HA H 79 4.325 4.325 4.456 -0.131 18118 2351 1 5 . 1 1 79 79 MET CA C 79 52.338 52.338 55.177 -2.839 18118 2352 1 5 . 1 1 79 79 MET CB C 79 31.907 31.907 34.853 -2.946 18118 2353 1 5 . 1 1 79 79 MET H H 79 8.642 8.642 8.177 0.465 18118 2354 1 5 . 1 1 80 80 GLY N N 80 115.191 115.191 114.336 0.855 18118 2355 1 5 . 1 1 80 80 GLY CA C 80 44.426 44.426 46.279 -1.853 18118 2356 1 5 . 1 1 80 80 GLY H H 80 8.709 8.709 8.481 0.228 18118 2357 1 5 . 1 1 81 81 GLN N N 81 121.981 121.981 121.900 0.081 18118 2358 1 5 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.472 -0.325 18118 2359 1 5 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.469 -1.913 18118 2360 1 5 . 1 1 81 81 GLN CB C 81 26.736 26.736 30.950 -4.214 18118 2361 1 5 . 1 1 81 81 GLN H H 81 8.598 8.598 8.289 0.309 18118 2362 1 5 . 1 1 82 82 ARG N N 82 118.652 118.652 119.026 -0.374 18118 2363 1 5 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.768 -0.268 18118 2364 1 5 . 1 1 82 82 ARG CA C 82 51.593 51.593 55.043 -3.450 18118 2365 1 5 . 1 1 82 82 ARG CB C 82 29.507 29.507 34.552 -5.045 18118 2366 1 5 . 1 1 82 82 ARG H H 82 7.660 7.660 7.571 0.089 18118 2367 1 5 . 1 1 84 84 VAL N N 84 125.216 125.216 119.854 5.362 18118 2368 1 5 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.966 -0.648 18118 2369 1 5 . 1 1 84 84 VAL CA C 84 58.647 58.647 59.793 -1.146 18118 2370 1 5 . 1 1 84 84 VAL CB C 84 31.015 31.015 35.754 -4.739 18118 2371 1 5 . 1 1 84 84 VAL H H 84 8.222 8.222 8.583 -0.361 18118 2372 1 5 . 1 1 86 86 VAL N N 86 120.000 120.000 126.336 -6.336 18118 2373 1 5 . 1 1 86 86 VAL HA H 86 4.807 4.807 4.937 -0.130 18118 2374 1 5 . 1 1 86 86 VAL CA C 86 58.928 58.928 61.160 -2.232 18118 2375 1 5 . 1 1 86 86 VAL CB C 86 33.201 33.201 33.266 -0.064 18118 2376 1 5 . 1 1 87 87 TYR N N 87 120.377 120.377 126.951 -6.574 18118 2377 1 5 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.876 -0.252 18118 2378 1 5 . 1 1 87 87 TYR CA C 87 53.444 53.444 57.059 -3.615 18118 2379 1 5 . 1 1 87 87 TYR CB C 87 40.105 40.105 43.350 -3.245 18118 2380 1 5 . 1 1 87 87 TYR H H 87 8.731 8.731 8.301 0.430 18118 2381 1 5 . 1 1 88 88 GLU N N 88 122.304 122.304 126.940 -4.636 18118 2382 1 5 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.448 -0.098 18118 2383 1 5 . 1 1 88 88 GLU CA C 88 53.640 53.640 55.992 -2.352 18118 2384 1 5 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.425 -1.995 18118 2385 1 5 . 1 1 88 88 GLU H H 88 8.873 8.873 8.351 0.522 18118 2386 1 5 . 1 1 89 89 ILE N N 89 125.082 125.082 126.720 -1.638 18118 2387 1 5 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.152 0.106 18118 2388 1 5 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.999 -4.168 18118 2389 1 5 . 1 1 89 89 ILE CB C 89 34.985 34.985 38.242 -3.257 18118 2390 1 5 . 1 1 89 89 ILE H H 89 7.983 7.983 8.254 -0.271 18118 2391 1 5 . 1 1 90 90 ASN N N 90 126.142 126.142 121.131 5.011 18118 2392 1 5 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.828 -0.237 18118 2393 1 5 . 1 1 90 90 ASN CA C 90 50.615 50.615 52.376 -1.761 18118 2394 1 5 . 1 1 90 90 ASN CB C 90 36.638 36.638 39.664 -3.026 18118 2395 1 5 . 1 1 90 90 ASN H H 90 8.890 8.890 8.473 0.417 18118 2396 1 5 . 1 1 91 91 ASN N N 91 121.333 121.333 123.846 -2.513 18118 2397 1 5 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.290 0.005 18118 2398 1 5 . 1 1 91 91 ASN CA C 91 53.950 53.950 55.984 -2.034 18118 2399 1 5 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.173 -1.868 18118 2400 1 5 . 1 1 91 91 ASN H H 91 8.867 8.867 8.966 -0.099 18118 2401 1 5 . 1 1 92 92 GLU N N 92 117.848 117.848 117.219 0.629 18118 2402 1 5 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.047 0.045 18118 2403 1 5 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.773 -3.221 18118 2404 1 5 . 1 1 92 92 GLU CB C 92 26.767 26.767 28.823 -2.056 18118 2405 1 5 . 1 1 92 92 GLU H H 92 8.869 8.869 8.560 0.309 18118 2406 1 5 . 1 1 93 93 ASP N N 93 118.819 118.819 118.323 0.496 18118 2407 1 5 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.816 -0.164 18118 2408 1 5 . 1 1 93 93 ASP CA C 93 52.137 52.137 55.506 -3.369 18118 2409 1 5 . 1 1 93 93 ASP CB C 93 39.522 39.522 42.873 -3.352 18118 2410 1 5 . 1 1 93 93 ASP H H 93 7.965 7.965 7.944 0.021 18118 2411 1 5 . 1 1 94 94 VAL N N 94 120.480 120.480 121.196 -0.716 18118 2412 1 5 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.684 -0.410 18118 2413 1 5 . 1 1 94 94 VAL CA C 94 64.179 64.179 66.403 -2.224 18118 2414 1 5 . 1 1 94 94 VAL CB C 94 29.477 29.477 32.159 -2.682 18118 2415 1 5 . 1 1 94 94 VAL H H 94 7.406 7.406 7.903 -0.497 18118 2416 1 5 . 1 1 95 95 ASP N N 95 119.806 119.806 119.995 -0.189 18118 2417 1 5 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.248 -0.093 18118 2418 1 5 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.821 -2.605 18118 2419 1 5 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.418 -1.791 18118 2420 1 5 . 1 1 95 95 ASP H H 95 8.342 8.342 7.805 0.537 18118 2421 1 5 . 1 1 96 96 ALA N N 96 119.946 119.946 121.335 -1.389 18118 2422 1 5 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.184 -0.258 18118 2423 1 5 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.394 -2.254 18118 2424 1 5 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.616 -2.940 18118 2425 1 5 . 1 1 96 96 ALA H H 96 8.162 8.162 8.028 0.134 18118 2426 1 5 . 1 1 97 97 LEU N N 97 119.391 119.391 119.198 0.193 18118 2427 1 5 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.881 0.104 18118 2428 1 5 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.541 -2.710 18118 2429 1 5 . 1 1 97 97 LEU CB C 97 39.438 39.438 42.002 -2.564 18118 2430 1 5 . 1 1 97 97 LEU H H 97 7.679 7.679 7.770 -0.091 18118 2431 1 5 . 1 1 98 98 MET N N 98 118.055 118.055 116.645 1.410 18118 2432 1 5 . 1 1 98 98 MET HA H 98 4.128 4.128 4.101 0.027 18118 2433 1 5 . 1 1 98 98 MET CA C 98 54.606 54.606 58.283 -3.677 18118 2434 1 5 . 1 1 98 98 MET CB C 98 27.902 27.902 31.922 -4.021 18118 2435 1 5 . 1 1 98 98 MET H H 98 8.504 8.504 8.530 -0.026 18118 2436 1 5 . 1 1 99 99 LYS N N 99 119.351 119.351 118.175 1.176 18118 2437 1 5 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.040 -0.069 18118 2438 1 5 . 1 1 99 99 LYS CA C 99 56.301 56.301 58.476 -2.175 18118 2439 1 5 . 1 1 99 99 LYS CB C 99 29.692 29.692 31.875 -2.183 18118 2440 1 5 . 1 1 99 99 LYS H H 99 7.986 7.986 7.444 0.542 18118 2441 1 5 . 1 1 100 100 SER N N 100 114.964 114.964 113.859 1.105 18118 2442 1 5 . 1 1 100 100 SER HA H 100 4.268 4.268 4.190 0.078 18118 2443 1 5 . 1 1 100 100 SER CA C 100 57.764 57.764 60.728 -2.964 18118 2444 1 5 . 1 1 100 100 SER CB C 100 60.753 60.753 63.235 -2.482 18118 2445 1 5 . 1 1 100 100 SER H H 100 7.711 7.711 7.659 0.052 18118 2446 1 5 . 1 1 101 101 LEU N N 101 120.679 120.679 119.553 1.126 18118 2447 1 5 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.237 -0.077 18118 2448 1 5 . 1 1 101 101 LEU CA C 101 52.893 52.893 55.633 -2.740 18118 2449 1 5 . 1 1 101 101 LEU CB C 101 39.541 39.541 41.889 -2.348 18118 2450 1 5 . 1 1 101 101 LEU H H 101 7.405 7.405 7.439 -0.034 18118 2451 1 5 . 1 1 102 102 GLN N N 102 117.646 117.646 119.025 -1.379 18118 2452 1 5 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.228 -0.033 18118 2453 1 5 . 1 1 102 102 GLN CA C 102 53.360 53.360 56.173 -2.813 18118 2454 1 5 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.164 -0.684 18118 2455 1 5 . 1 1 102 102 GLN H H 102 7.588 7.588 7.646 -0.058 18118 2456 1 5 . 1 1 103 103 VAL N N 103 120.269 120.269 121.368 -1.099 18118 2457 1 5 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.229 -0.214 18118 2458 1 5 . 1 1 103 103 VAL CA C 103 59.755 59.755 61.458 -1.703 18118 2459 1 5 . 1 1 103 103 VAL CB C 103 30.579 30.579 32.563 -1.984 18118 2460 1 5 . 1 1 103 103 VAL H H 103 7.839 7.839 7.835 0.004 18118 2461 1 5 . 1 1 104 104 LYS N N 104 125.201 125.201 127.830 -2.629 18118 2462 1 5 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.446 -0.103 18118 2463 1 5 . 1 1 104 104 LYS CA C 104 53.348 53.348 56.112 -2.764 18118 2464 1 5 . 1 1 104 104 LYS CB C 104 30.634 30.634 32.852 -2.219 18118 2465 1 5 . 1 1 104 104 LYS H H 104 8.364 8.364 8.103 0.261 18118 2466 1 5 . 1 1 105 105 SER N N 105 117.664 117.664 116.112 1.552 18118 2467 1 5 . 1 1 105 105 SER HA H 105 4.401 4.401 4.679 -0.278 18118 2468 1 5 . 1 1 105 105 SER CA C 105 55.611 55.611 57.680 -2.069 18118 2469 1 5 . 1 1 105 105 SER CB C 105 61.286 61.286 62.999 -1.713 18118 2470 1 5 . 1 1 105 105 SER H H 105 8.354 8.354 8.448 -0.094 18118 2471 1 6 . 1 1 2 2 SER N N 2 118.867 118.867 117.710 1.157 18118 2472 1 6 . 1 1 2 2 SER HA H 2 4.707 4.707 4.467 0.240 18118 2473 1 6 . 1 1 2 2 SER CA C 2 55.678 55.678 58.893 -3.215 18118 2474 1 6 . 1 1 2 2 SER CB C 2 61.009 61.009 63.485 -2.476 18118 2475 1 6 . 1 1 2 2 SER H H 2 8.195 8.195 8.463 -0.268 18118 2476 1 6 . 1 1 3 3 LYS N N 3 123.188 123.188 121.545 1.643 18118 2477 1 6 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.426 -2.719 18118 2478 1 6 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.439 -2.065 18118 2479 1 6 . 1 1 3 3 LYS H H 3 8.427 8.427 8.208 0.219 18118 2480 1 6 . 1 1 4 4 LEU N N 4 123.342 123.342 123.413 -0.071 18118 2481 1 6 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.874 -0.670 18118 2482 1 6 . 1 1 4 4 LEU CA C 4 52.990 52.990 54.309 -1.319 18118 2483 1 6 . 1 1 4 4 LEU CB C 4 39.667 39.667 44.271 -4.604 18118 2484 1 6 . 1 1 4 4 LEU H H 4 8.311 8.311 8.675 -0.364 18118 2485 1 6 . 1 1 5 5 GLU N N 5 120.431 120.431 118.148 2.283 18118 2486 1 6 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.592 -0.435 18118 2487 1 6 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.270 -2.040 18118 2488 1 6 . 1 1 5 5 GLU CB C 5 27.847 27.847 30.690 -2.843 18118 2489 1 6 . 1 1 5 5 GLU H H 5 8.321 8.321 8.687 -0.366 18118 2490 1 6 . 1 1 6 6 GLU N N 6 120.027 120.027 119.687 0.340 18118 2491 1 6 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.528 -0.337 18118 2492 1 6 . 1 1 6 6 GLU CA C 6 53.842 53.842 55.667 -1.825 18118 2493 1 6 . 1 1 6 6 GLU CB C 6 27.723 27.723 32.120 -4.397 18118 2494 1 6 . 1 1 6 6 GLU H H 6 8.177 8.177 7.735 0.442 18118 2495 1 6 . 1 1 7 7 GLU N N 7 121.663 121.663 120.646 1.017 18118 2496 1 6 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.460 -0.269 18118 2497 1 6 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.700 -3.021 18118 2498 1 6 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.772 -2.224 18118 2499 1 6 . 1 1 7 7 GLU H H 7 8.228 8.228 8.763 -0.535 18118 2500 1 6 . 1 1 8 8 VAL N N 8 120.733 120.733 117.601 3.132 18118 2501 1 6 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.395 -0.309 18118 2502 1 6 . 1 1 8 8 VAL CA C 8 59.139 59.139 60.359 -1.220 18118 2503 1 6 . 1 1 8 8 VAL CB C 8 30.700 30.700 33.328 -2.628 18118 2504 1 6 . 1 1 8 8 VAL H H 8 8.102 8.102 7.538 0.564 18118 2505 1 6 . 1 1 9 9 ASP N N 9 124.190 124.190 120.075 4.115 18118 2506 1 6 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.624 -0.067 18118 2507 1 6 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.233 -3.054 18118 2508 1 6 . 1 1 9 9 ASP CB C 9 38.781 38.781 42.363 -3.582 18118 2509 1 6 . 1 1 9 9 ASP H H 9 8.313 8.313 8.351 -0.038 18118 2510 1 6 . 1 1 10 10 ASP N N 10 120.966 120.966 120.171 0.795 18118 2511 1 6 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.615 -0.236 18118 2512 1 6 . 1 1 10 10 ASP CA C 10 51.555 51.555 54.349 -2.794 18118 2513 1 6 . 1 1 10 10 ASP CB C 10 39.138 39.138 39.855 -0.717 18118 2514 1 6 . 1 1 10 10 ASP H H 10 8.106 8.106 8.516 -0.410 18118 2515 1 6 . 1 1 11 11 VAL N N 11 119.321 119.321 120.384 -1.063 18118 2516 1 6 . 1 1 11 11 VAL HA H 11 3.919 3.919 4.012 -0.093 18118 2517 1 6 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.949 -3.228 18118 2518 1 6 . 1 1 11 11 VAL CB C 11 31.300 31.300 33.059 -1.760 18118 2519 1 6 . 1 1 11 11 VAL H H 11 7.528 7.528 7.544 -0.016 18118 2520 1 6 . 1 1 12 12 PHE N N 12 125.723 125.723 126.743 -1.020 18118 2521 1 6 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.715 -0.129 18118 2522 1 6 . 1 1 12 12 PHE CA C 12 53.764 53.764 54.815 -1.051 18118 2523 1 6 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.270 -0.572 18118 2524 1 6 . 1 1 12 12 PHE H H 12 8.573 8.573 8.499 0.074 18118 2525 1 6 . 1 1 13 13 LEU N N 13 123.923 123.923 120.642 3.281 18118 2526 1 6 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.274 -0.042 18118 2527 1 6 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.219 -1.858 18118 2528 1 6 . 1 1 13 13 LEU CB C 13 44.651 44.651 45.870 -1.219 18118 2529 1 6 . 1 1 13 13 LEU H H 13 8.794 8.794 7.517 1.277 18118 2530 1 6 . 1 1 14 14 ILE N N 14 114.563 114.563 115.062 -0.499 18118 2531 1 6 . 1 1 14 14 ILE HA H 14 4.891 4.891 5.082 -0.191 18118 2532 1 6 . 1 1 14 14 ILE CA C 14 55.381 55.381 58.973 -3.592 18118 2533 1 6 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.611 -3.293 18118 2534 1 6 . 1 1 14 14 ILE H H 14 8.316 8.316 8.779 -0.463 18118 2535 1 6 . 1 1 15 15 ARG N N 15 122.555 122.555 121.645 0.910 18118 2536 1 6 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.312 0.022 18118 2537 1 6 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.204 -2.911 18118 2538 1 6 . 1 1 15 15 ARG CB C 15 31.850 31.850 34.866 -3.016 18118 2539 1 6 . 1 1 15 15 ARG H H 15 9.231 9.231 9.158 0.073 18118 2540 1 6 . 1 1 16 16 ALA N N 16 127.755 127.755 127.447 0.308 18118 2541 1 6 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.277 0.419 18118 2542 1 6 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.574 -3.799 18118 2543 1 6 . 1 1 16 16 ALA CB C 16 18.337 18.337 21.122 -2.785 18118 2544 1 6 . 1 1 16 16 ALA H H 16 9.005 9.005 8.765 0.240 18118 2545 1 6 . 1 1 17 17 GLN N N 17 121.076 121.076 125.078 -4.002 18118 2546 1 6 . 1 1 17 17 GLN HA H 17 5.135 5.135 4.981 0.154 18118 2547 1 6 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.205 -2.373 18118 2548 1 6 . 1 1 17 17 GLN CB C 17 30.738 30.738 31.546 -0.808 18118 2549 1 6 . 1 1 17 17 GLN H H 17 9.557 9.557 8.305 1.252 18118 2550 1 6 . 1 1 18 18 GLY N N 18 110.950 110.950 108.178 2.772 18118 2551 1 6 . 1 1 18 18 GLY CA C 18 42.822 42.822 44.863 -2.041 18118 2552 1 6 . 1 1 18 18 GLY H H 18 8.294 8.294 8.480 -0.186 18118 2553 1 6 . 1 1 19 19 LEU N N 19 118.809 118.809 121.743 -2.934 18118 2554 1 6 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.267 -0.235 18118 2555 1 6 . 1 1 19 19 LEU CA C 19 50.705 50.705 52.985 -2.280 18118 2556 1 6 . 1 1 19 19 LEU CB C 19 37.568 37.568 41.129 -3.561 18118 2557 1 6 . 1 1 19 19 LEU H H 19 8.292 8.292 7.501 0.791 18118 2558 1 6 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.319 -0.027 18118 2559 1 6 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.828 -2.728 18118 2560 1 6 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.287 -3.088 18118 2561 1 6 . 1 1 21 21 TRP N N 21 124.383 124.383 117.112 7.271 18118 2562 1 6 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.801 -0.111 18118 2563 1 6 . 1 1 21 21 TRP CA C 21 56.237 56.237 58.652 -2.415 18118 2564 1 6 . 1 1 21 21 TRP CB C 21 25.965 25.965 29.008 -3.043 18118 2565 1 6 . 1 1 21 21 TRP H H 21 8.527 8.527 7.557 0.970 18118 2566 1 6 . 1 1 22 22 SER N N 22 109.532 109.532 118.031 -8.499 18118 2567 1 6 . 1 1 22 22 SER HA H 22 4.099 4.099 4.522 -0.423 18118 2568 1 6 . 1 1 22 22 SER CA C 22 54.162 54.162 57.592 -3.430 18118 2569 1 6 . 1 1 22 22 SER CB C 22 60.334 60.334 61.492 -1.158 18118 2570 1 6 . 1 1 22 22 SER H H 22 7.436 7.436 7.309 0.127 18118 2571 1 6 . 1 1 23 23 CYS N N 23 119.744 119.744 123.246 -3.502 18118 2572 1 6 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.204 0.262 18118 2573 1 6 . 1 1 23 23 CYS CA C 23 55.975 55.975 60.724 -4.749 18118 2574 1 6 . 1 1 23 23 CYS CB C 23 25.489 25.489 28.762 -3.273 18118 2575 1 6 . 1 1 23 23 CYS H H 23 7.221 7.221 7.985 -0.764 18118 2576 1 6 . 1 1 24 24 THR N N 24 115.371 115.371 115.303 0.068 18118 2577 1 6 . 1 1 24 24 THR HA H 24 4.697 4.697 4.474 0.223 18118 2578 1 6 . 1 1 24 24 THR CA C 24 57.172 57.172 61.236 -4.064 18118 2579 1 6 . 1 1 24 24 THR CB C 24 56.222 56.222 72.163 -15.941 18118 2580 1 6 . 1 1 24 24 THR H H 24 9.082 9.082 7.979 1.103 18118 2581 1 6 . 1 1 25 25 MET N N 25 118.539 118.539 122.972 -4.433 18118 2582 1 6 . 1 1 25 25 MET HA H 25 4.161 4.161 4.009 0.152 18118 2583 1 6 . 1 1 25 25 MET CA C 25 57.241 57.241 59.093 -1.852 18118 2584 1 6 . 1 1 25 25 MET CB C 25 29.452 29.452 32.240 -2.788 18118 2585 1 6 . 1 1 25 25 MET H H 25 8.794 8.794 8.591 0.203 18118 2586 1 6 . 1 1 26 26 GLU N N 26 118.967 118.967 119.844 -0.877 18118 2587 1 6 . 1 1 26 26 GLU HA H 26 3.802 3.802 3.871 -0.069 18118 2588 1 6 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.345 -3.098 18118 2589 1 6 . 1 1 26 26 GLU CB C 26 26.663 26.663 29.018 -2.355 18118 2590 1 6 . 1 1 26 26 GLU H H 26 8.462 8.462 8.906 -0.444 18118 2591 1 6 . 1 1 27 27 ASP N N 27 118.711 118.711 118.930 -0.219 18118 2592 1 6 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.363 -0.064 18118 2593 1 6 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.136 -2.065 18118 2594 1 6 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.194 -1.538 18118 2595 1 6 . 1 1 27 27 ASP H H 27 7.812 7.812 8.385 -0.573 18118 2596 1 6 . 1 1 28 28 VAL N N 28 120.825 120.825 120.766 0.059 18118 2597 1 6 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.724 -0.280 18118 2598 1 6 . 1 1 28 28 VAL CA C 28 64.841 64.841 65.489 -0.648 18118 2599 1 6 . 1 1 28 28 VAL CB C 28 29.052 29.052 31.785 -2.733 18118 2600 1 6 . 1 1 28 28 VAL H H 28 7.528 7.528 7.719 -0.191 18118 2601 1 6 . 1 1 29 29 LEU N N 29 120.586 120.586 120.973 -0.387 18118 2602 1 6 . 1 1 29 29 LEU HA H 29 3.778 3.778 3.949 -0.171 18118 2603 1 6 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.271 -2.289 18118 2604 1 6 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.642 -2.688 18118 2605 1 6 . 1 1 29 29 LEU H H 29 8.399 8.399 8.474 -0.075 18118 2606 1 6 . 1 1 30 30 ASN N N 30 114.059 114.059 117.203 -3.144 18118 2607 1 6 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.418 -0.020 18118 2608 1 6 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.435 -3.955 18118 2609 1 6 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.515 -2.383 18118 2610 1 6 . 1 1 30 30 ASN H H 30 8.156 8.156 8.054 0.102 18118 2611 1 6 . 1 1 31 31 PHE N N 31 123.816 123.816 121.456 2.360 18118 2612 1 6 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.054 0.073 18118 2613 1 6 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.619 -1.800 18118 2614 1 6 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.206 -2.030 18118 2615 1 6 . 1 1 31 31 PHE H H 31 8.033 8.033 8.007 0.026 18118 2616 1 6 . 1 1 32 32 PHE N N 32 115.681 115.681 115.387 0.294 18118 2617 1 6 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.680 -0.027 18118 2618 1 6 . 1 1 32 32 PHE CA C 32 54.039 54.039 55.571 -1.532 18118 2619 1 6 . 1 1 32 32 PHE CB C 32 35.047 35.047 37.630 -2.583 18118 2620 1 6 . 1 1 32 32 PHE H H 32 7.622 7.622 8.198 -0.576 18118 2621 1 6 . 1 1 33 33 SER N N 33 113.797 113.797 116.262 -2.465 18118 2622 1 6 . 1 1 33 33 SER HA H 33 4.111 4.111 4.383 -0.272 18118 2623 1 6 . 1 1 33 33 SER CA C 33 59.041 59.041 60.723 -1.682 18118 2624 1 6 . 1 1 33 33 SER CB C 33 60.339 60.339 63.572 -3.233 18118 2625 1 6 . 1 1 33 33 SER H H 33 6.834 6.834 7.525 -0.691 18118 2626 1 6 . 1 1 34 34 ASP N N 34 119.155 119.155 120.879 -1.724 18118 2627 1 6 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.840 -0.259 18118 2628 1 6 . 1 1 34 34 ASP CA C 34 51.606 51.606 52.649 -1.043 18118 2629 1 6 . 1 1 34 34 ASP CB C 34 37.727 37.727 40.273 -2.546 18118 2630 1 6 . 1 1 34 34 ASP H H 34 8.717 8.717 8.204 0.513 18118 2631 1 6 . 1 1 35 35 CYS N N 35 117.269 117.269 116.479 0.790 18118 2632 1 6 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.738 -0.230 18118 2633 1 6 . 1 1 35 35 CYS CA C 35 54.961 54.961 56.058 -1.097 18118 2634 1 6 . 1 1 35 35 CYS CB C 35 27.986 27.986 30.811 -2.825 18118 2635 1 6 . 1 1 35 35 CYS H H 35 8.009 8.009 7.541 0.468 18118 2636 1 6 . 1 1 36 36 ARG N N 36 123.980 123.980 121.835 2.145 18118 2637 1 6 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.665 -0.376 18118 2638 1 6 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.991 -2.263 18118 2639 1 6 . 1 1 36 36 ARG CB C 36 26.279 26.279 31.394 -5.115 18118 2640 1 6 . 1 1 36 36 ARG H H 36 8.666 8.666 8.144 0.522 18118 2641 1 6 . 1 1 37 37 ILE N N 37 128.014 128.014 124.022 3.992 18118 2642 1 6 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.242 -0.031 18118 2643 1 6 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.933 -3.354 18118 2644 1 6 . 1 1 37 37 ILE CB C 37 36.026 36.026 38.791 -2.765 18118 2645 1 6 . 1 1 37 37 ILE H H 37 8.084 8.084 8.635 -0.551 18118 2646 1 6 . 1 1 38 38 ARG N N 38 133.264 133.264 128.056 5.208 18118 2647 1 6 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.133 -0.288 18118 2648 1 6 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.657 -2.890 18118 2649 1 6 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.627 -2.798 18118 2650 1 6 . 1 1 38 38 ARG H H 38 8.662 8.662 8.157 0.505 18118 2651 1 6 . 1 1 39 39 ASN N N 39 117.723 117.723 119.511 -1.788 18118 2652 1 6 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.390 -0.208 18118 2653 1 6 . 1 1 39 39 ASN CA C 39 51.702 51.702 53.733 -2.030 18118 2654 1 6 . 1 1 39 39 ASN CB C 39 34.846 34.846 38.488 -3.642 18118 2655 1 6 . 1 1 39 39 ASN H H 39 8.992 8.992 8.954 0.038 18118 2656 1 6 . 1 1 40 40 GLY N N 40 108.314 108.314 108.770 -0.456 18118 2657 1 6 . 1 1 40 40 GLY CA C 40 44.283 44.283 44.861 -0.578 18118 2658 1 6 . 1 1 40 40 GLY H H 40 7.949 7.949 7.485 0.464 18118 2659 1 6 . 1 1 41 41 GLU N N 41 124.398 124.398 120.322 4.076 18118 2660 1 6 . 1 1 41 41 GLU HA H 41 3.812 3.812 3.718 0.094 18118 2661 1 6 . 1 1 41 41 GLU CA C 41 56.741 56.741 58.937 -2.196 18118 2662 1 6 . 1 1 41 41 GLU CB C 41 26.718 26.718 27.895 -1.177 18118 2663 1 6 . 1 1 41 41 GLU H H 41 9.235 9.235 8.691 0.544 18118 2664 1 6 . 1 1 42 42 ASN N N 42 113.155 113.155 118.608 -5.453 18118 2665 1 6 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.626 -0.119 18118 2666 1 6 . 1 1 42 42 ASN CA C 42 51.901 51.901 54.367 -2.466 18118 2667 1 6 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.602 -2.537 18118 2668 1 6 . 1 1 42 42 ASN H H 42 7.523 7.523 8.244 -0.721 18118 2669 1 6 . 1 1 43 43 GLY N N 43 109.898 109.898 105.737 4.161 18118 2670 1 6 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.621 -2.061 18118 2671 1 6 . 1 1 43 43 GLY H H 43 8.131 8.131 7.794 0.337 18118 2672 1 6 . 1 1 44 44 ILE N N 44 119.116 119.116 122.446 -3.330 18118 2673 1 6 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.120 -0.343 18118 2674 1 6 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.187 -3.907 18118 2675 1 6 . 1 1 44 44 ILE CB C 44 36.145 36.145 37.472 -1.327 18118 2676 1 6 . 1 1 44 44 ILE H H 44 6.715 6.715 7.370 -0.655 18118 2677 1 6 . 1 1 45 45 HIS N N 45 124.064 124.064 129.574 -5.510 18118 2678 1 6 . 1 1 45 45 HIS HA H 45 4.883 4.883 5.119 -0.236 18118 2679 1 6 . 1 1 45 45 HIS CA C 45 49.681 49.681 54.775 -5.094 18118 2680 1 6 . 1 1 45 45 HIS CB C 45 25.934 25.934 32.713 -6.779 18118 2681 1 6 . 1 1 45 45 HIS H H 45 8.493 8.493 9.392 -0.899 18118 2682 1 6 . 1 1 46 46 PHE N N 46 123.886 123.886 124.579 -0.693 18118 2683 1 6 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.867 -0.304 18118 2684 1 6 . 1 1 46 46 PHE CA C 46 57.122 57.122 56.080 1.042 18118 2685 1 6 . 1 1 46 46 PHE CB C 46 36.299 36.299 39.670 -3.371 18118 2686 1 6 . 1 1 46 46 PHE H H 46 9.014 9.014 8.558 0.456 18118 2687 1 6 . 1 1 47 47 LEU N N 47 124.343 124.343 127.765 -3.422 18118 2688 1 6 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.429 0.075 18118 2689 1 6 . 1 1 47 47 LEU CA C 47 51.885 51.885 53.955 -2.070 18118 2690 1 6 . 1 1 47 47 LEU CB C 47 38.896 38.896 40.736 -1.840 18118 2691 1 6 . 1 1 47 47 LEU H H 47 8.066 8.066 8.683 -0.617 18118 2692 1 6 . 1 1 48 48 LEU N N 48 122.809 122.809 122.169 0.640 18118 2693 1 6 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.503 0.322 18118 2694 1 6 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.168 -2.238 18118 2695 1 6 . 1 1 48 48 LEU CB C 48 41.655 41.655 45.561 -3.906 18118 2696 1 6 . 1 1 48 48 LEU H H 48 8.754 8.754 7.372 1.382 18118 2697 1 6 . 1 1 49 49 ASN N N 49 119.420 119.420 118.225 1.195 18118 2698 1 6 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.777 0.014 18118 2699 1 6 . 1 1 49 49 ASN CA C 49 48.595 48.595 53.524 -4.929 18118 2700 1 6 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.723 -2.988 18118 2701 1 6 . 1 1 49 49 ASN H H 49 8.757 8.757 8.437 0.320 18118 2702 1 6 . 1 1 50 50 ARG N N 50 119.367 119.367 120.484 -1.117 18118 2703 1 6 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.092 -0.066 18118 2704 1 6 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.601 -2.683 18118 2705 1 6 . 1 1 50 50 ARG CB C 50 27.194 27.194 30.193 -2.999 18118 2706 1 6 . 1 1 50 50 ARG H H 50 8.618 8.618 8.755 -0.137 18118 2707 1 6 . 1 1 51 51 ASP N N 51 116.650 116.650 114.589 2.061 18118 2708 1 6 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.769 -0.184 18118 2709 1 6 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.203 -1.923 18118 2710 1 6 . 1 1 51 51 ASP CB C 51 38.544 38.544 41.189 -2.645 18118 2711 1 6 . 1 1 51 51 ASP H H 51 7.577 7.577 7.758 -0.181 18118 2712 1 6 . 1 1 52 52 GLY N N 52 107.719 107.719 107.735 -0.016 18118 2713 1 6 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.901 -2.560 18118 2714 1 6 . 1 1 52 52 GLY H H 52 8.171 8.171 8.052 0.119 18118 2715 1 6 . 1 1 53 53 LYS N N 53 119.174 119.174 118.890 0.284 18118 2716 1 6 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.484 -0.065 18118 2717 1 6 . 1 1 53 53 LYS CA C 53 51.788 51.788 55.235 -3.447 18118 2718 1 6 . 1 1 53 53 LYS CB C 53 30.976 30.976 30.384 0.592 18118 2719 1 6 . 1 1 53 53 LYS H H 53 7.750 7.750 8.396 -0.646 18118 2720 1 6 . 1 1 54 54 ARG N N 54 121.126 121.126 120.403 0.723 18118 2721 1 6 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.379 -0.210 18118 2722 1 6 . 1 1 54 54 ARG CA C 54 54.949 54.949 56.517 -1.568 18118 2723 1 6 . 1 1 54 54 ARG CB C 54 28.054 28.054 32.114 -4.060 18118 2724 1 6 . 1 1 54 54 ARG H H 54 8.570 8.570 8.301 0.269 18118 2725 1 6 . 1 1 55 55 ARG N N 55 121.856 121.856 116.921 4.935 18118 2726 1 6 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.729 -0.688 18118 2727 1 6 . 1 1 55 55 ARG CA C 55 53.172 53.172 54.907 -1.735 18118 2728 1 6 . 1 1 55 55 ARG CB C 55 29.692 29.692 33.104 -3.412 18118 2729 1 6 . 1 1 55 55 ARG H H 55 8.352 8.352 8.185 0.167 18118 2730 1 6 . 1 1 56 56 GLY N N 56 108.554 108.554 107.809 0.745 18118 2731 1 6 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.794 -1.333 18118 2732 1 6 . 1 1 56 56 GLY H H 56 8.683 8.683 8.527 0.156 18118 2733 1 6 . 1 1 57 57 ASP N N 57 117.136 117.136 118.952 -1.816 18118 2734 1 6 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.688 0.069 18118 2735 1 6 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.836 -3.592 18118 2736 1 6 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.539 -3.274 18118 2737 1 6 . 1 1 57 57 ASP H H 57 8.018 8.018 7.705 0.313 18118 2738 1 6 . 1 1 58 58 ALA N N 58 122.425 122.425 119.618 2.807 18118 2739 1 6 . 1 1 58 58 ALA HA H 58 5.105 5.105 5.042 0.063 18118 2740 1 6 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.236 -2.878 18118 2741 1 6 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.713 -3.269 18118 2742 1 6 . 1 1 58 58 ALA H H 58 9.137 9.137 8.375 0.762 18118 2743 1 6 . 1 1 59 59 LEU N N 59 121.454 121.454 120.467 0.987 18118 2744 1 6 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.229 0.018 18118 2745 1 6 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.878 -3.520 18118 2746 1 6 . 1 1 59 59 LEU CB C 59 42.166 42.166 44.782 -2.615 18118 2747 1 6 . 1 1 59 59 LEU H H 59 8.604 8.604 9.060 -0.456 18118 2748 1 6 . 1 1 60 60 ILE N N 60 123.974 123.974 121.488 2.486 18118 2749 1 6 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.591 0.247 18118 2750 1 6 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.817 -1.433 18118 2751 1 6 . 1 1 60 60 ILE CB C 60 38.147 38.147 41.349 -3.202 18118 2752 1 6 . 1 1 60 60 ILE H H 60 9.081 9.081 9.088 -0.007 18118 2753 1 6 . 1 1 61 61 GLU N N 61 126.177 126.177 125.796 0.381 18118 2754 1 6 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.619 -0.074 18118 2755 1 6 . 1 1 61 61 GLU CA C 61 52.464 52.464 55.462 -2.998 18118 2756 1 6 . 1 1 61 61 GLU CB C 61 29.517 29.517 31.488 -1.971 18118 2757 1 6 . 1 1 61 61 GLU H H 61 8.832 8.832 8.824 0.008 18118 2758 1 6 . 1 1 62 62 MET N N 62 121.191 121.191 125.957 -4.766 18118 2759 1 6 . 1 1 62 62 MET HA H 62 5.131 5.131 4.819 0.312 18118 2760 1 6 . 1 1 62 62 MET CA C 62 49.938 49.938 54.163 -4.225 18118 2761 1 6 . 1 1 62 62 MET CB C 62 30.874 30.874 35.061 -4.187 18118 2762 1 6 . 1 1 62 62 MET H H 62 8.854 8.854 8.301 0.553 18118 2763 1 6 . 1 1 63 63 GLU N N 63 117.598 117.598 122.829 -5.231 18118 2764 1 6 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.304 -0.233 18118 2765 1 6 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.705 -1.550 18118 2766 1 6 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.677 -2.598 18118 2767 1 6 . 1 1 63 63 GLU H H 63 8.092 8.092 8.729 -0.637 18118 2768 1 6 . 1 1 64 64 SER N N 64 109.627 109.627 112.539 -2.912 18118 2769 1 6 . 1 1 64 64 SER HA H 64 4.113 4.113 4.120 -0.007 18118 2770 1 6 . 1 1 64 64 SER CA C 64 54.607 54.607 56.185 -1.578 18118 2771 1 6 . 1 1 64 64 SER CB C 64 65.273 65.273 65.337 -0.064 18118 2772 1 6 . 1 1 64 64 SER H H 64 7.710 7.710 7.951 -0.241 18118 2773 1 6 . 1 1 65 65 GLU N N 65 121.394 121.394 121.216 0.178 18118 2774 1 6 . 1 1 65 65 GLU HA H 65 3.485 3.485 3.652 -0.167 18118 2775 1 6 . 1 1 65 65 GLU CA C 65 56.100 56.100 59.596 -3.495 18118 2776 1 6 . 1 1 65 65 GLU CB C 65 26.282 26.282 28.915 -2.633 18118 2777 1 6 . 1 1 65 65 GLU H H 65 8.364 8.364 7.864 0.500 18118 2778 1 6 . 1 1 66 66 GLN N N 66 118.987 118.987 118.283 0.704 18118 2779 1 6 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.014 -0.112 18118 2780 1 6 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.091 -2.653 18118 2781 1 6 . 1 1 66 66 GLN CB C 66 25.394 25.394 27.954 -2.560 18118 2782 1 6 . 1 1 66 66 GLN H H 66 7.979 7.979 8.538 -0.559 18118 2783 1 6 . 1 1 67 67 ASP N N 67 118.539 118.539 120.093 -1.554 18118 2784 1 6 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.389 -0.055 18118 2785 1 6 . 1 1 67 67 ASP CA C 67 55.727 55.727 57.158 -1.431 18118 2786 1 6 . 1 1 67 67 ASP CB C 67 41.607 41.607 40.594 1.013 18118 2787 1 6 . 1 1 67 67 ASP H H 67 7.325 7.325 7.578 -0.253 18118 2788 1 6 . 1 1 68 68 VAL N N 68 119.502 119.502 121.023 -1.521 18118 2789 1 6 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.718 -0.543 18118 2790 1 6 . 1 1 68 68 VAL CA C 68 64.830 64.830 64.769 0.061 18118 2791 1 6 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.559 -2.725 18118 2792 1 6 . 1 1 68 68 VAL H H 68 7.165 7.165 7.251 -0.086 18118 2793 1 6 . 1 1 69 69 GLN N N 69 115.899 115.899 118.746 -2.847 18118 2794 1 6 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.947 -0.213 18118 2795 1 6 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.799 -2.395 18118 2796 1 6 . 1 1 69 69 GLN CB C 69 25.212 25.212 28.017 -2.805 18118 2797 1 6 . 1 1 69 69 GLN H H 69 7.718 7.718 8.090 -0.372 18118 2798 1 6 . 1 1 70 70 LYS N N 70 118.403 118.403 119.600 -1.197 18118 2799 1 6 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.039 -0.111 18118 2800 1 6 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.777 -2.840 18118 2801 1 6 . 1 1 70 70 LYS CB C 70 29.946 29.946 31.941 -1.995 18118 2802 1 6 . 1 1 70 70 LYS H H 70 7.767 7.767 7.488 0.279 18118 2803 1 6 . 1 1 71 71 ALA N N 71 124.650 124.650 122.733 1.917 18118 2804 1 6 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.107 -0.080 18118 2805 1 6 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.698 -1.955 18118 2806 1 6 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.117 -2.003 18118 2807 1 6 . 1 1 71 71 ALA H H 71 8.160 8.160 7.380 0.780 18118 2808 1 6 . 1 1 72 72 LEU N N 72 116.557 116.557 118.389 -1.832 18118 2809 1 6 . 1 1 72 72 LEU HA H 72 3.794 3.794 3.991 -0.197 18118 2810 1 6 . 1 1 72 72 LEU CA C 72 54.664 54.664 57.351 -2.687 18118 2811 1 6 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.370 -2.537 18118 2812 1 6 . 1 1 72 72 LEU H H 72 8.055 8.055 7.955 0.100 18118 2813 1 6 . 1 1 73 73 GLU N N 73 117.807 117.807 119.006 -1.199 18118 2814 1 6 . 1 1 73 73 GLU HA H 73 4.090 4.090 3.803 0.287 18118 2815 1 6 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.406 -3.944 18118 2816 1 6 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.148 -2.342 18118 2817 1 6 . 1 1 73 73 GLU H H 73 7.369 7.369 7.715 -0.346 18118 2818 1 6 . 1 1 74 74 LYS N N 74 116.715 116.715 116.999 -0.284 18118 2819 1 6 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.157 0.035 18118 2820 1 6 . 1 1 74 74 LYS CA C 74 51.741 51.741 57.135 -5.394 18118 2821 1 6 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.494 -3.030 18118 2822 1 6 . 1 1 74 74 LYS H H 74 7.805 7.805 7.609 0.196 18118 2823 1 6 . 1 1 75 75 HIS N N 75 117.177 117.177 115.193 1.984 18118 2824 1 6 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.480 -0.152 18118 2825 1 6 . 1 1 75 75 HIS CA C 75 55.811 55.811 57.838 -2.027 18118 2826 1 6 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.230 0.353 18118 2827 1 6 . 1 1 75 75 HIS H H 75 7.184 7.184 8.201 -1.017 18118 2828 1 6 . 1 1 76 76 ARG N N 76 121.753 121.753 117.311 4.442 18118 2829 1 6 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.466 -0.160 18118 2830 1 6 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.440 0.279 18118 2831 1 6 . 1 1 76 76 ARG CB C 76 33.288 33.288 30.812 2.476 18118 2832 1 6 . 1 1 76 76 ARG H H 76 9.042 9.042 7.916 1.126 18118 2833 1 6 . 1 1 77 77 MET N N 77 117.206 117.206 120.849 -3.643 18118 2834 1 6 . 1 1 77 77 MET HA H 77 4.598 4.598 4.696 -0.098 18118 2835 1 6 . 1 1 77 77 MET CA C 77 52.590 52.590 54.672 -2.082 18118 2836 1 6 . 1 1 77 77 MET CB C 77 31.234 31.234 33.075 -1.841 18118 2837 1 6 . 1 1 77 77 MET H H 77 7.835 7.835 8.285 -0.450 18118 2838 1 6 . 1 1 78 78 TYR N N 78 117.960 117.960 115.320 2.640 18118 2839 1 6 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.797 -0.195 18118 2840 1 6 . 1 1 78 78 TYR CA C 78 56.028 56.028 55.973 0.055 18118 2841 1 6 . 1 1 78 78 TYR CB C 78 37.334 37.334 41.091 -3.757 18118 2842 1 6 . 1 1 78 78 TYR H H 78 8.359 8.359 8.378 -0.019 18118 2843 1 6 . 1 1 79 79 MET N N 79 124.673 124.673 117.441 7.232 18118 2844 1 6 . 1 1 79 79 MET HA H 79 4.325 4.325 4.643 -0.318 18118 2845 1 6 . 1 1 79 79 MET CA C 79 52.338 52.338 54.748 -2.410 18118 2846 1 6 . 1 1 79 79 MET CB C 79 31.907 31.907 35.767 -3.860 18118 2847 1 6 . 1 1 79 79 MET H H 79 8.642 8.642 8.200 0.442 18118 2848 1 6 . 1 1 80 80 GLY N N 80 115.191 115.191 110.866 4.325 18118 2849 1 6 . 1 1 80 80 GLY CA C 80 44.426 44.426 46.391 -1.965 18118 2850 1 6 . 1 1 80 80 GLY H H 80 8.709 8.709 8.501 0.208 18118 2851 1 6 . 1 1 81 81 GLN N N 81 121.981 121.981 122.100 -0.119 18118 2852 1 6 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.280 -0.133 18118 2853 1 6 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.244 -1.687 18118 2854 1 6 . 1 1 81 81 GLN CB C 81 26.736 26.736 29.473 -2.736 18118 2855 1 6 . 1 1 81 81 GLN H H 81 8.598 8.598 8.292 0.306 18118 2856 1 6 . 1 1 82 82 ARG N N 82 118.652 118.652 119.414 -0.762 18118 2857 1 6 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.621 -0.121 18118 2858 1 6 . 1 1 82 82 ARG CA C 82 51.593 51.593 54.625 -3.032 18118 2859 1 6 . 1 1 82 82 ARG CB C 82 29.507 29.507 34.134 -4.627 18118 2860 1 6 . 1 1 82 82 ARG H H 82 7.660 7.660 7.613 0.047 18118 2861 1 6 . 1 1 84 84 VAL N N 84 125.216 125.216 124.208 1.008 18118 2862 1 6 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.573 -0.255 18118 2863 1 6 . 1 1 84 84 VAL CA C 84 58.647 58.647 61.260 -2.613 18118 2864 1 6 . 1 1 84 84 VAL CB C 84 31.015 31.015 34.132 -3.116 18118 2865 1 6 . 1 1 84 84 VAL H H 84 8.222 8.222 8.254 -0.032 18118 2866 1 6 . 1 1 86 86 VAL N N 86 120.000 120.000 118.478 1.522 18118 2867 1 6 . 1 1 86 86 VAL HA H 86 4.807 4.807 5.099 -0.292 18118 2868 1 6 . 1 1 86 86 VAL CA C 86 58.928 58.928 60.973 -2.045 18118 2869 1 6 . 1 1 86 86 VAL CB C 86 33.201 33.201 35.382 -2.180 18118 2870 1 6 . 1 1 87 87 TYR N N 87 120.377 120.377 121.760 -1.383 18118 2871 1 6 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.922 -0.298 18118 2872 1 6 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.676 -3.232 18118 2873 1 6 . 1 1 87 87 TYR CB C 87 40.105 40.105 43.453 -3.348 18118 2874 1 6 . 1 1 87 87 TYR H H 87 8.731 8.731 8.671 0.060 18118 2875 1 6 . 1 1 88 88 GLU N N 88 122.304 122.304 121.185 1.119 18118 2876 1 6 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.590 -0.240 18118 2877 1 6 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.385 -2.745 18118 2878 1 6 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.435 -2.005 18118 2879 1 6 . 1 1 88 88 GLU H H 88 8.873 8.873 8.748 0.125 18118 2880 1 6 . 1 1 89 89 ILE N N 89 125.082 125.082 120.320 4.762 18118 2881 1 6 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.306 -0.048 18118 2882 1 6 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.612 -3.781 18118 2883 1 6 . 1 1 89 89 ILE CB C 89 34.985 34.985 39.099 -4.114 18118 2884 1 6 . 1 1 89 89 ILE H H 89 7.983 7.983 8.293 -0.310 18118 2885 1 6 . 1 1 90 90 ASN N N 90 126.142 126.142 119.710 6.432 18118 2886 1 6 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.965 -0.374 18118 2887 1 6 . 1 1 90 90 ASN CA C 90 50.615 50.615 51.734 -1.119 18118 2888 1 6 . 1 1 90 90 ASN CB C 90 36.638 36.638 41.150 -4.512 18118 2889 1 6 . 1 1 90 90 ASN H H 90 8.890 8.890 8.403 0.487 18118 2890 1 6 . 1 1 91 91 ASN N N 91 121.333 121.333 119.655 1.678 18118 2891 1 6 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.361 -0.065 18118 2892 1 6 . 1 1 91 91 ASN CA C 91 53.950 53.950 55.962 -2.012 18118 2893 1 6 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.256 -1.951 18118 2894 1 6 . 1 1 91 91 ASN H H 91 8.867 8.867 8.847 0.020 18118 2895 1 6 . 1 1 92 92 GLU N N 92 117.848 117.848 118.238 -0.390 18118 2896 1 6 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.037 0.055 18118 2897 1 6 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.837 -3.286 18118 2898 1 6 . 1 1 92 92 GLU CB C 92 26.767 26.767 28.970 -2.203 18118 2899 1 6 . 1 1 92 92 GLU H H 92 8.869 8.869 8.539 0.330 18118 2900 1 6 . 1 1 93 93 ASP N N 93 118.819 118.819 117.148 1.671 18118 2901 1 6 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.928 -0.276 18118 2902 1 6 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.105 -1.968 18118 2903 1 6 . 1 1 93 93 ASP CB C 93 39.522 39.522 42.385 -2.862 18118 2904 1 6 . 1 1 93 93 ASP H H 93 7.965 7.965 7.776 0.189 18118 2905 1 6 . 1 1 94 94 VAL N N 94 120.480 120.480 121.313 -0.833 18118 2906 1 6 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.561 -0.287 18118 2907 1 6 . 1 1 94 94 VAL CA C 94 64.179 64.179 67.076 -2.897 18118 2908 1 6 . 1 1 94 94 VAL CB C 94 29.477 29.477 31.970 -2.493 18118 2909 1 6 . 1 1 94 94 VAL H H 94 7.406 7.406 7.600 -0.194 18118 2910 1 6 . 1 1 95 95 ASP N N 95 119.806 119.806 119.231 0.575 18118 2911 1 6 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.316 -0.161 18118 2912 1 6 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.736 -2.520 18118 2913 1 6 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.657 -2.030 18118 2914 1 6 . 1 1 95 95 ASP H H 95 8.342 8.342 7.841 0.501 18118 2915 1 6 . 1 1 96 96 ALA N N 96 119.946 119.946 121.594 -1.648 18118 2916 1 6 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.340 -0.414 18118 2917 1 6 . 1 1 96 96 ALA CA C 96 52.140 52.140 53.630 -1.490 18118 2918 1 6 . 1 1 96 96 ALA CB C 96 15.676 15.676 19.047 -3.371 18118 2919 1 6 . 1 1 96 96 ALA H H 96 8.162 8.162 7.818 0.344 18118 2920 1 6 . 1 1 97 97 LEU N N 97 119.391 119.391 121.010 -1.619 18118 2921 1 6 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.638 0.347 18118 2922 1 6 . 1 1 97 97 LEU CA C 97 54.831 54.831 58.310 -3.479 18118 2923 1 6 . 1 1 97 97 LEU CB C 97 39.438 39.438 41.998 -2.560 18118 2924 1 6 . 1 1 97 97 LEU H H 97 7.679 7.679 8.322 -0.643 18118 2925 1 6 . 1 1 98 98 MET N N 98 118.055 118.055 114.370 3.685 18118 2926 1 6 . 1 1 98 98 MET HA H 98 4.128 4.128 4.126 0.002 18118 2927 1 6 . 1 1 98 98 MET CA C 98 54.606 54.606 58.386 -3.780 18118 2928 1 6 . 1 1 98 98 MET CB C 98 27.902 27.902 32.147 -4.245 18118 2929 1 6 . 1 1 98 98 MET H H 98 8.504 8.504 7.946 0.558 18118 2930 1 6 . 1 1 99 99 LYS N N 99 119.351 119.351 116.139 3.212 18118 2931 1 6 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.263 -0.292 18118 2932 1 6 . 1 1 99 99 LYS CA C 99 56.301 56.301 57.658 -1.357 18118 2933 1 6 . 1 1 99 99 LYS CB C 99 29.692 29.692 32.191 -2.499 18118 2934 1 6 . 1 1 99 99 LYS H H 99 7.986 7.986 7.574 0.412 18118 2935 1 6 . 1 1 100 100 SER N N 100 114.964 114.964 116.276 -1.312 18118 2936 1 6 . 1 1 100 100 SER HA H 100 4.268 4.268 4.349 -0.081 18118 2937 1 6 . 1 1 100 100 SER CA C 100 57.764 57.764 61.289 -3.525 18118 2938 1 6 . 1 1 100 100 SER CB C 100 60.753 60.753 63.575 -2.822 18118 2939 1 6 . 1 1 100 100 SER H H 100 7.711 7.711 7.698 0.013 18118 2940 1 6 . 1 1 101 101 LEU N N 101 120.679 120.679 119.840 0.839 18118 2941 1 6 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.286 -0.126 18118 2942 1 6 . 1 1 101 101 LEU CA C 101 52.893 52.893 55.458 -2.565 18118 2943 1 6 . 1 1 101 101 LEU CB C 101 39.541 39.541 41.740 -2.199 18118 2944 1 6 . 1 1 101 101 LEU H H 101 7.405 7.405 7.691 -0.286 18118 2945 1 6 . 1 1 102 102 GLN N N 102 117.646 117.646 118.898 -1.252 18118 2946 1 6 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.256 -0.061 18118 2947 1 6 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.731 -2.371 18118 2948 1 6 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.392 -0.912 18118 2949 1 6 . 1 1 102 102 GLN H H 102 7.588 7.588 8.145 -0.557 18118 2950 1 6 . 1 1 103 103 VAL N N 103 120.269 120.269 120.882 -0.613 18118 2951 1 6 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.234 -0.219 18118 2952 1 6 . 1 1 103 103 VAL CA C 103 59.755 59.755 61.260 -1.505 18118 2953 1 6 . 1 1 103 103 VAL CB C 103 30.579 30.579 32.712 -2.133 18118 2954 1 6 . 1 1 103 103 VAL H H 103 7.839 7.839 7.349 0.490 18118 2955 1 6 . 1 1 104 104 LYS N N 104 125.201 125.201 127.286 -2.085 18118 2956 1 6 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.452 -0.109 18118 2957 1 6 . 1 1 104 104 LYS CA C 104 53.348 53.348 55.683 -2.335 18118 2958 1 6 . 1 1 104 104 LYS CB C 104 30.634 30.634 32.746 -2.112 18118 2959 1 6 . 1 1 104 104 LYS H H 104 8.364 8.364 8.294 0.070 18118 2960 1 6 . 1 1 105 105 SER N N 105 117.664 117.664 115.366 2.298 18118 2961 1 6 . 1 1 105 105 SER HA H 105 4.401 4.401 4.600 -0.199 18118 2962 1 6 . 1 1 105 105 SER CA C 105 55.611 55.611 57.875 -2.264 18118 2963 1 6 . 1 1 105 105 SER CB C 105 61.286 61.286 64.121 -2.835 18118 2964 1 6 . 1 1 105 105 SER H H 105 8.354 8.354 8.296 0.058 18118 2965 1 7 . 1 1 2 2 SER N N 2 118.867 118.867 117.044 1.823 18118 2966 1 7 . 1 1 2 2 SER HA H 2 4.707 4.707 4.646 0.061 18118 2967 1 7 . 1 1 2 2 SER CA C 2 55.678 55.678 58.552 -2.874 18118 2968 1 7 . 1 1 2 2 SER CB C 2 61.009 61.009 63.732 -2.723 18118 2969 1 7 . 1 1 2 2 SER H H 2 8.195 8.195 8.360 -0.165 18118 2970 1 7 . 1 1 3 3 LYS N N 3 123.188 123.188 118.496 4.692 18118 2971 1 7 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.142 -2.434 18118 2972 1 7 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.685 -2.312 18118 2973 1 7 . 1 1 3 3 LYS H H 3 8.427 8.427 8.439 -0.012 18118 2974 1 7 . 1 1 4 4 LEU N N 4 123.342 123.342 124.120 -0.778 18118 2975 1 7 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.468 -0.264 18118 2976 1 7 . 1 1 4 4 LEU CA C 4 52.990 52.990 54.503 -1.513 18118 2977 1 7 . 1 1 4 4 LEU CB C 4 39.667 39.667 42.486 -2.819 18118 2978 1 7 . 1 1 4 4 LEU H H 4 8.311 8.311 8.354 -0.043 18118 2979 1 7 . 1 1 5 5 GLU N N 5 120.431 120.431 117.909 2.522 18118 2980 1 7 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.450 -0.293 18118 2981 1 7 . 1 1 5 5 GLU CA C 5 54.230 54.230 55.806 -1.576 18118 2982 1 7 . 1 1 5 5 GLU CB C 5 27.847 27.847 30.362 -2.515 18118 2983 1 7 . 1 1 5 5 GLU H H 5 8.321 8.321 8.484 -0.163 18118 2984 1 7 . 1 1 6 6 GLU N N 6 120.027 120.027 120.643 -0.616 18118 2985 1 7 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.334 -0.143 18118 2986 1 7 . 1 1 6 6 GLU CA C 6 53.842 53.842 56.498 -2.656 18118 2987 1 7 . 1 1 6 6 GLU CB C 6 27.723 27.723 29.958 -2.235 18118 2988 1 7 . 1 1 6 6 GLU H H 6 8.177 8.177 7.880 0.297 18118 2989 1 7 . 1 1 7 7 GLU N N 7 121.663 121.663 123.953 -2.290 18118 2990 1 7 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.464 -0.273 18118 2991 1 7 . 1 1 7 7 GLU CA C 7 53.679 53.679 55.375 -1.696 18118 2992 1 7 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.808 -2.260 18118 2993 1 7 . 1 1 7 7 GLU H H 7 8.228 8.228 8.603 -0.375 18118 2994 1 7 . 1 1 8 8 VAL N N 8 120.733 120.733 119.374 1.359 18118 2995 1 7 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.246 -0.160 18118 2996 1 7 . 1 1 8 8 VAL CA C 8 59.139 59.139 61.828 -2.689 18118 2997 1 7 . 1 1 8 8 VAL CB C 8 30.700 30.700 33.024 -2.324 18118 2998 1 7 . 1 1 8 8 VAL H H 8 8.102 8.102 7.690 0.412 18118 2999 1 7 . 1 1 9 9 ASP N N 9 124.190 124.190 128.806 -4.616 18118 3000 1 7 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.595 -0.038 18118 3001 1 7 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.850 -3.670 18118 3002 1 7 . 1 1 9 9 ASP CB C 9 38.781 38.781 40.376 -1.595 18118 3003 1 7 . 1 1 9 9 ASP H H 9 8.313 8.313 8.807 -0.494 18118 3004 1 7 . 1 1 10 10 ASP N N 10 120.966 120.966 122.603 -1.637 18118 3005 1 7 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.709 -0.330 18118 3006 1 7 . 1 1 10 10 ASP CA C 10 51.555 51.555 53.320 -1.765 18118 3007 1 7 . 1 1 10 10 ASP CB C 10 39.138 39.138 41.772 -2.634 18118 3008 1 7 . 1 1 10 10 ASP H H 10 8.106 8.106 7.954 0.152 18118 3009 1 7 . 1 1 11 11 VAL N N 11 119.321 119.321 120.666 -1.345 18118 3010 1 7 . 1 1 11 11 VAL HA H 11 3.919 3.919 3.828 0.091 18118 3011 1 7 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.051 -2.330 18118 3012 1 7 . 1 1 11 11 VAL CB C 11 31.300 31.300 33.104 -1.804 18118 3013 1 7 . 1 1 11 11 VAL H H 11 7.528 7.528 7.356 0.172 18118 3014 1 7 . 1 1 12 12 PHE N N 12 125.723 125.723 122.646 3.077 18118 3015 1 7 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.729 -0.143 18118 3016 1 7 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.688 -1.924 18118 3017 1 7 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.713 -1.015 18118 3018 1 7 . 1 1 12 12 PHE H H 12 8.573 8.573 8.406 0.167 18118 3019 1 7 . 1 1 13 13 LEU N N 13 123.923 123.923 120.519 3.404 18118 3020 1 7 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.402 -0.170 18118 3021 1 7 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.800 -2.439 18118 3022 1 7 . 1 1 13 13 LEU CB C 13 44.651 44.651 46.255 -1.603 18118 3023 1 7 . 1 1 13 13 LEU H H 13 8.794 8.794 7.582 1.212 18118 3024 1 7 . 1 1 14 14 ILE N N 14 114.563 114.563 115.245 -0.682 18118 3025 1 7 . 1 1 14 14 ILE HA H 14 4.891 4.891 5.011 -0.120 18118 3026 1 7 . 1 1 14 14 ILE CA C 14 55.381 55.381 58.866 -3.485 18118 3027 1 7 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.760 -3.442 18118 3028 1 7 . 1 1 14 14 ILE H H 14 8.316 8.316 8.951 -0.635 18118 3029 1 7 . 1 1 15 15 ARG N N 15 122.555 122.555 121.129 1.426 18118 3030 1 7 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.469 -0.135 18118 3031 1 7 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.405 -3.112 18118 3032 1 7 . 1 1 15 15 ARG CB C 15 31.850 31.850 33.734 -1.884 18118 3033 1 7 . 1 1 15 15 ARG H H 15 9.231 9.231 9.013 0.218 18118 3034 1 7 . 1 1 16 16 ALA N N 16 127.755 127.755 129.471 -1.716 18118 3035 1 7 . 1 1 16 16 ALA HA H 16 5.696 5.696 4.750 0.947 18118 3036 1 7 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.922 -4.147 18118 3037 1 7 . 1 1 16 16 ALA CB C 16 18.337 18.337 21.275 -2.938 18118 3038 1 7 . 1 1 16 16 ALA H H 16 9.005 9.005 8.440 0.565 18118 3039 1 7 . 1 1 17 17 GLN N N 17 121.076 121.076 117.944 3.132 18118 3040 1 7 . 1 1 17 17 GLN HA H 17 5.135 5.135 4.639 0.496 18118 3041 1 7 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.809 -2.977 18118 3042 1 7 . 1 1 17 17 GLN CB C 17 30.738 30.738 32.072 -1.334 18118 3043 1 7 . 1 1 17 17 GLN H H 17 9.557 9.557 8.621 0.936 18118 3044 1 7 . 1 1 18 18 GLY N N 18 110.950 110.950 107.620 3.330 18118 3045 1 7 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.592 -2.770 18118 3046 1 7 . 1 1 18 18 GLY H H 18 8.294 8.294 8.527 -0.233 18118 3047 1 7 . 1 1 19 19 LEU N N 19 118.809 118.809 120.507 -1.698 18118 3048 1 7 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.609 -0.577 18118 3049 1 7 . 1 1 19 19 LEU CA C 19 50.705 50.705 51.286 -0.581 18118 3050 1 7 . 1 1 19 19 LEU CB C 19 37.568 37.568 44.774 -7.206 18118 3051 1 7 . 1 1 19 19 LEU H H 19 8.292 8.292 7.794 0.498 18118 3052 1 7 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.798 -0.506 18118 3053 1 7 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.130 -2.029 18118 3054 1 7 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.791 -3.592 18118 3055 1 7 . 1 1 21 21 TRP N N 21 124.383 124.383 119.441 4.942 18118 3056 1 7 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.641 0.049 18118 3057 1 7 . 1 1 21 21 TRP CA C 21 56.237 56.237 58.235 -1.998 18118 3058 1 7 . 1 1 21 21 TRP CB C 21 25.965 25.965 29.283 -3.318 18118 3059 1 7 . 1 1 21 21 TRP H H 21 8.527 8.527 8.470 0.057 18118 3060 1 7 . 1 1 22 22 SER N N 22 109.532 109.532 112.886 -3.354 18118 3061 1 7 . 1 1 22 22 SER HA H 22 4.099 4.099 4.636 -0.537 18118 3062 1 7 . 1 1 22 22 SER CA C 22 54.162 54.162 57.483 -3.321 18118 3063 1 7 . 1 1 22 22 SER CB C 22 60.334 60.334 62.666 -2.332 18118 3064 1 7 . 1 1 22 22 SER H H 22 7.436 7.436 7.828 -0.392 18118 3065 1 7 . 1 1 23 23 CYS N N 23 119.744 119.744 123.286 -3.542 18118 3066 1 7 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.393 0.073 18118 3067 1 7 . 1 1 23 23 CYS CA C 23 55.975 55.975 59.093 -3.118 18118 3068 1 7 . 1 1 23 23 CYS CB C 23 25.489 25.489 28.445 -2.956 18118 3069 1 7 . 1 1 23 23 CYS H H 23 7.221 7.221 8.202 -0.981 18118 3070 1 7 . 1 1 24 24 THR N N 24 115.371 115.371 116.917 -1.546 18118 3071 1 7 . 1 1 24 24 THR HA H 24 4.697 4.697 4.269 0.428 18118 3072 1 7 . 1 1 24 24 THR CA C 24 57.172 57.172 59.983 -2.811 18118 3073 1 7 . 1 1 24 24 THR CB C 24 56.222 56.222 71.265 -15.043 18118 3074 1 7 . 1 1 24 24 THR H H 24 9.082 9.082 8.227 0.855 18118 3075 1 7 . 1 1 25 25 MET N N 25 118.539 118.539 120.660 -2.121 18118 3076 1 7 . 1 1 25 25 MET HA H 25 4.161 4.161 4.148 0.013 18118 3077 1 7 . 1 1 25 25 MET CA C 25 57.241 57.241 58.405 -1.164 18118 3078 1 7 . 1 1 25 25 MET CB C 25 29.452 29.452 32.096 -2.644 18118 3079 1 7 . 1 1 25 25 MET H H 25 8.794 8.794 8.795 -0.001 18118 3080 1 7 . 1 1 26 26 GLU N N 26 118.967 118.967 119.786 -0.819 18118 3081 1 7 . 1 1 26 26 GLU HA H 26 3.802 3.802 3.984 -0.182 18118 3082 1 7 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.429 -3.182 18118 3083 1 7 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.933 -2.270 18118 3084 1 7 . 1 1 26 26 GLU H H 26 8.462 8.462 8.700 -0.238 18118 3085 1 7 . 1 1 27 27 ASP N N 27 118.711 118.711 118.923 -0.212 18118 3086 1 7 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.358 -0.059 18118 3087 1 7 . 1 1 27 27 ASP CA C 27 55.071 55.071 56.986 -1.915 18118 3088 1 7 . 1 1 27 27 ASP CB C 27 38.656 38.656 39.900 -1.244 18118 3089 1 7 . 1 1 27 27 ASP H H 27 7.812 7.812 8.458 -0.646 18118 3090 1 7 . 1 1 28 28 VAL N N 28 120.825 120.825 120.371 0.454 18118 3091 1 7 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.855 -0.411 18118 3092 1 7 . 1 1 28 28 VAL CA C 28 64.841 64.841 64.800 0.041 18118 3093 1 7 . 1 1 28 28 VAL CB C 28 29.052 29.052 31.610 -2.558 18118 3094 1 7 . 1 1 28 28 VAL H H 28 7.528 7.528 7.188 0.340 18118 3095 1 7 . 1 1 29 29 LEU N N 29 120.586 120.586 121.155 -0.569 18118 3096 1 7 . 1 1 29 29 LEU HA H 29 3.778 3.778 3.983 -0.205 18118 3097 1 7 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.105 -2.123 18118 3098 1 7 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.560 -2.606 18118 3099 1 7 . 1 1 29 29 LEU H H 29 8.399 8.399 8.211 0.188 18118 3100 1 7 . 1 1 30 30 ASN N N 30 114.059 114.059 117.400 -3.341 18118 3101 1 7 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.419 -0.021 18118 3102 1 7 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.419 -3.939 18118 3103 1 7 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.249 -2.118 18118 3104 1 7 . 1 1 30 30 ASN H H 30 8.156 8.156 8.021 0.135 18118 3105 1 7 . 1 1 31 31 PHE N N 31 123.816 123.816 120.604 3.212 18118 3106 1 7 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.131 -0.004 18118 3107 1 7 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.512 -1.693 18118 3108 1 7 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.019 -1.843 18118 3109 1 7 . 1 1 31 31 PHE H H 31 8.033 8.033 8.055 -0.022 18118 3110 1 7 . 1 1 32 32 PHE N N 32 115.681 115.681 115.256 0.425 18118 3111 1 7 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.711 -0.058 18118 3112 1 7 . 1 1 32 32 PHE CA C 32 54.039 54.039 55.605 -1.566 18118 3113 1 7 . 1 1 32 32 PHE CB C 32 35.047 35.047 37.199 -2.152 18118 3114 1 7 . 1 1 32 32 PHE H H 32 7.622 7.622 8.197 -0.575 18118 3115 1 7 . 1 1 33 33 SER N N 33 113.797 113.797 116.547 -2.750 18118 3116 1 7 . 1 1 33 33 SER HA H 33 4.111 4.111 4.304 -0.193 18118 3117 1 7 . 1 1 33 33 SER CA C 33 59.041 59.041 60.992 -1.952 18118 3118 1 7 . 1 1 33 33 SER CB C 33 60.339 60.339 63.350 -3.011 18118 3119 1 7 . 1 1 33 33 SER H H 33 6.834 6.834 7.810 -0.976 18118 3120 1 7 . 1 1 34 34 ASP N N 34 119.155 119.155 120.422 -1.267 18118 3121 1 7 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.762 -0.181 18118 3122 1 7 . 1 1 34 34 ASP CA C 34 51.606 51.606 54.193 -2.587 18118 3123 1 7 . 1 1 34 34 ASP CB C 34 37.727 37.727 41.081 -3.354 18118 3124 1 7 . 1 1 34 34 ASP H H 34 8.717 8.717 8.670 0.047 18118 3125 1 7 . 1 1 35 35 CYS N N 35 117.269 117.269 116.836 0.433 18118 3126 1 7 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.509 -0.001 18118 3127 1 7 . 1 1 35 35 CYS CA C 35 54.961 54.961 57.924 -2.963 18118 3128 1 7 . 1 1 35 35 CYS CB C 35 27.986 27.986 29.433 -1.447 18118 3129 1 7 . 1 1 35 35 CYS H H 35 8.009 8.009 7.809 0.200 18118 3130 1 7 . 1 1 36 36 ARG N N 36 123.980 123.980 122.515 1.465 18118 3131 1 7 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.604 -0.315 18118 3132 1 7 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.095 -1.367 18118 3133 1 7 . 1 1 36 36 ARG CB C 36 26.279 26.279 30.079 -3.800 18118 3134 1 7 . 1 1 36 36 ARG H H 36 8.666 8.666 8.593 0.073 18118 3135 1 7 . 1 1 37 37 ILE N N 37 128.014 128.014 125.836 2.178 18118 3136 1 7 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.124 0.087 18118 3137 1 7 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.789 -3.210 18118 3138 1 7 . 1 1 37 37 ILE CB C 37 36.026 36.026 38.638 -2.612 18118 3139 1 7 . 1 1 37 37 ILE H H 37 8.084 8.084 8.729 -0.645 18118 3140 1 7 . 1 1 38 38 ARG N N 38 133.264 133.264 127.801 5.463 18118 3141 1 7 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.119 -0.274 18118 3142 1 7 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.649 -2.882 18118 3143 1 7 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.741 -2.912 18118 3144 1 7 . 1 1 38 38 ARG H H 38 8.662 8.662 8.599 0.063 18118 3145 1 7 . 1 1 39 39 ASN N N 39 117.723 117.723 121.059 -3.336 18118 3146 1 7 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.375 -0.193 18118 3147 1 7 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.914 -3.212 18118 3148 1 7 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.058 -2.212 18118 3149 1 7 . 1 1 39 39 ASN H H 39 8.992 8.992 9.102 -0.110 18118 3150 1 7 . 1 1 40 40 GLY N N 40 108.314 108.314 107.418 0.896 18118 3151 1 7 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.763 -2.480 18118 3152 1 7 . 1 1 40 40 GLY H H 40 7.949 7.949 8.472 -0.523 18118 3153 1 7 . 1 1 41 41 GLU N N 41 124.398 124.398 120.199 4.199 18118 3154 1 7 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.497 -0.685 18118 3155 1 7 . 1 1 41 41 GLU CA C 41 56.741 56.741 56.349 0.392 18118 3156 1 7 . 1 1 41 41 GLU CB C 41 26.718 26.718 31.301 -4.583 18118 3157 1 7 . 1 1 41 41 GLU H H 41 9.235 9.235 8.177 1.058 18118 3158 1 7 . 1 1 42 42 ASN N N 42 113.155 113.155 120.225 -7.070 18118 3159 1 7 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.649 -0.142 18118 3160 1 7 . 1 1 42 42 ASN CA C 42 51.901 51.901 55.587 -3.686 18118 3161 1 7 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.985 -2.920 18118 3162 1 7 . 1 1 42 42 ASN H H 42 7.523 7.523 8.119 -0.596 18118 3163 1 7 . 1 1 43 43 GLY N N 43 109.898 109.898 106.100 3.798 18118 3164 1 7 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.635 -2.074 18118 3165 1 7 . 1 1 43 43 GLY H H 43 8.131 8.131 7.615 0.516 18118 3166 1 7 . 1 1 44 44 ILE N N 44 119.116 119.116 121.920 -2.804 18118 3167 1 7 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.390 -0.613 18118 3168 1 7 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.140 -3.860 18118 3169 1 7 . 1 1 44 44 ILE CB C 44 36.145 36.145 38.549 -2.404 18118 3170 1 7 . 1 1 44 44 ILE H H 44 6.715 6.715 7.518 -0.803 18118 3171 1 7 . 1 1 45 45 HIS N N 45 124.064 124.064 129.628 -5.564 18118 3172 1 7 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.870 0.013 18118 3173 1 7 . 1 1 45 45 HIS CA C 45 49.681 49.681 53.903 -4.222 18118 3174 1 7 . 1 1 45 45 HIS CB C 45 25.934 25.934 30.049 -4.115 18118 3175 1 7 . 1 1 45 45 HIS H H 45 8.493 8.493 9.127 -0.634 18118 3176 1 7 . 1 1 46 46 PHE N N 46 123.886 123.886 121.262 2.624 18118 3177 1 7 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.765 -0.202 18118 3178 1 7 . 1 1 46 46 PHE CA C 46 57.122 57.122 57.445 -0.323 18118 3179 1 7 . 1 1 46 46 PHE CB C 46 36.299 36.299 39.055 -2.756 18118 3180 1 7 . 1 1 46 46 PHE H H 46 9.014 9.014 8.019 0.995 18118 3181 1 7 . 1 1 47 47 LEU N N 47 124.343 124.343 124.873 -0.530 18118 3182 1 7 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.617 -0.113 18118 3183 1 7 . 1 1 47 47 LEU CA C 47 51.885 51.885 53.769 -1.884 18118 3184 1 7 . 1 1 47 47 LEU CB C 47 38.896 38.896 44.480 -5.585 18118 3185 1 7 . 1 1 47 47 LEU H H 47 8.066 8.066 8.458 -0.392 18118 3186 1 7 . 1 1 48 48 LEU N N 48 122.809 122.809 119.403 3.406 18118 3187 1 7 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.592 0.233 18118 3188 1 7 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.592 -2.662 18118 3189 1 7 . 1 1 48 48 LEU CB C 48 41.655 41.655 45.351 -3.696 18118 3190 1 7 . 1 1 48 48 LEU H H 48 8.754 8.754 8.010 0.744 18118 3191 1 7 . 1 1 49 49 ASN N N 49 119.420 119.420 118.467 0.953 18118 3192 1 7 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.823 -0.032 18118 3193 1 7 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.361 -3.765 18118 3194 1 7 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.424 -2.689 18118 3195 1 7 . 1 1 49 49 ASN H H 49 8.757 8.757 8.439 0.318 18118 3196 1 7 . 1 1 50 50 ARG N N 50 119.367 119.367 120.041 -0.674 18118 3197 1 7 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.067 -0.041 18118 3198 1 7 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.503 -2.585 18118 3199 1 7 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.797 -2.603 18118 3200 1 7 . 1 1 50 50 ARG H H 50 8.618 8.618 8.611 0.007 18118 3201 1 7 . 1 1 51 51 ASP N N 51 116.650 116.650 116.899 -0.249 18118 3202 1 7 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.790 -0.205 18118 3203 1 7 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.518 -2.238 18118 3204 1 7 . 1 1 51 51 ASP CB C 51 38.544 38.544 40.709 -2.165 18118 3205 1 7 . 1 1 51 51 ASP H H 51 7.577 7.577 7.803 -0.226 18118 3206 1 7 . 1 1 52 52 GLY N N 52 107.719 107.719 107.694 0.025 18118 3207 1 7 . 1 1 52 52 GLY CA C 52 43.341 43.341 46.106 -2.765 18118 3208 1 7 . 1 1 52 52 GLY H H 52 8.171 8.171 8.008 0.163 18118 3209 1 7 . 1 1 53 53 LYS N N 53 119.174 119.174 115.885 3.289 18118 3210 1 7 . 1 1 53 53 LYS HA H 53 4.419 4.419 3.752 0.667 18118 3211 1 7 . 1 1 53 53 LYS CA C 53 51.788 51.788 54.928 -3.140 18118 3212 1 7 . 1 1 53 53 LYS CB C 53 30.976 30.976 31.522 -0.546 18118 3213 1 7 . 1 1 53 53 LYS H H 53 7.750 7.750 7.697 0.053 18118 3214 1 7 . 1 1 54 54 ARG N N 54 121.126 121.126 118.636 2.490 18118 3215 1 7 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.084 0.085 18118 3216 1 7 . 1 1 54 54 ARG CA C 54 54.949 54.949 57.659 -2.710 18118 3217 1 7 . 1 1 54 54 ARG CB C 54 28.054 28.054 30.449 -2.395 18118 3218 1 7 . 1 1 54 54 ARG H H 54 8.570 8.570 8.160 0.410 18118 3219 1 7 . 1 1 55 55 ARG N N 55 121.856 121.856 118.497 3.359 18118 3220 1 7 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.354 -0.313 18118 3221 1 7 . 1 1 55 55 ARG CA C 55 53.172 53.172 54.999 -1.827 18118 3222 1 7 . 1 1 55 55 ARG CB C 55 29.692 29.692 30.983 -1.291 18118 3223 1 7 . 1 1 55 55 ARG H H 55 8.352 8.352 7.694 0.658 18118 3224 1 7 . 1 1 56 56 GLY N N 56 108.554 108.554 108.831 -0.277 18118 3225 1 7 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.900 -1.439 18118 3226 1 7 . 1 1 56 56 GLY H H 56 8.683 8.683 8.511 0.172 18118 3227 1 7 . 1 1 57 57 ASP N N 57 117.136 117.136 122.698 -5.562 18118 3228 1 7 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.003 0.754 18118 3229 1 7 . 1 1 57 57 ASP CA C 57 49.244 49.244 53.478 -4.234 18118 3230 1 7 . 1 1 57 57 ASP CB C 57 41.265 41.265 43.043 -1.778 18118 3231 1 7 . 1 1 57 57 ASP H H 57 8.018 8.018 7.774 0.244 18118 3232 1 7 . 1 1 58 58 ALA N N 58 122.425 122.425 119.184 3.241 18118 3233 1 7 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.792 0.313 18118 3234 1 7 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.085 -2.727 18118 3235 1 7 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.902 -3.458 18118 3236 1 7 . 1 1 58 58 ALA H H 58 9.137 9.137 8.176 0.961 18118 3237 1 7 . 1 1 59 59 LEU N N 59 121.454 121.454 121.371 0.083 18118 3238 1 7 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.270 -0.023 18118 3239 1 7 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.910 -3.552 18118 3240 1 7 . 1 1 59 59 LEU CB C 59 42.166 42.166 44.648 -2.482 18118 3241 1 7 . 1 1 59 59 LEU H H 59 8.604 8.604 8.040 0.564 18118 3242 1 7 . 1 1 60 60 ILE N N 60 123.974 123.974 122.984 0.990 18118 3243 1 7 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.776 0.062 18118 3244 1 7 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.847 -1.463 18118 3245 1 7 . 1 1 60 60 ILE CB C 60 38.147 38.147 39.546 -1.399 18118 3246 1 7 . 1 1 60 60 ILE H H 60 9.081 9.081 9.009 0.072 18118 3247 1 7 . 1 1 61 61 GLU N N 61 126.177 126.177 126.690 -0.513 18118 3248 1 7 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.650 -0.105 18118 3249 1 7 . 1 1 61 61 GLU CA C 61 52.464 52.464 56.322 -3.858 18118 3250 1 7 . 1 1 61 61 GLU CB C 61 29.517 29.517 31.750 -2.233 18118 3251 1 7 . 1 1 61 61 GLU H H 61 8.832 8.832 9.013 -0.181 18118 3252 1 7 . 1 1 62 62 MET N N 62 121.191 121.191 123.544 -2.353 18118 3253 1 7 . 1 1 62 62 MET HA H 62 5.131 5.131 5.050 0.081 18118 3254 1 7 . 1 1 62 62 MET CA C 62 49.938 49.938 53.709 -3.772 18118 3255 1 7 . 1 1 62 62 MET CB C 62 30.874 30.874 36.698 -5.824 18118 3256 1 7 . 1 1 62 62 MET H H 62 8.854 8.854 8.763 0.091 18118 3257 1 7 . 1 1 63 63 GLU N N 63 117.598 117.598 121.947 -4.349 18118 3258 1 7 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.157 -0.086 18118 3259 1 7 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.264 -1.109 18118 3260 1 7 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.841 -2.761 18118 3261 1 7 . 1 1 63 63 GLU H H 63 8.092 8.092 8.516 -0.424 18118 3262 1 7 . 1 1 64 64 SER N N 64 109.627 109.627 111.372 -1.745 18118 3263 1 7 . 1 1 64 64 SER HA H 64 4.113 4.113 3.424 0.689 18118 3264 1 7 . 1 1 64 64 SER CA C 64 54.607 54.607 56.839 -2.232 18118 3265 1 7 . 1 1 64 64 SER CB C 64 65.273 65.273 66.410 -1.137 18118 3266 1 7 . 1 1 64 64 SER H H 64 7.710 7.710 7.436 0.274 18118 3267 1 7 . 1 1 65 65 GLU N N 65 121.394 121.394 123.014 -1.620 18118 3268 1 7 . 1 1 65 65 GLU HA H 65 3.485 3.485 4.050 -0.565 18118 3269 1 7 . 1 1 65 65 GLU CA C 65 56.100 56.100 59.732 -3.632 18118 3270 1 7 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.766 -3.484 18118 3271 1 7 . 1 1 65 65 GLU H H 65 8.364 8.364 8.776 -0.412 18118 3272 1 7 . 1 1 66 66 GLN N N 66 118.987 118.987 118.716 0.271 18118 3273 1 7 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.016 -0.114 18118 3274 1 7 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.196 -2.757 18118 3275 1 7 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.216 -2.822 18118 3276 1 7 . 1 1 66 66 GLN H H 66 7.979 7.979 8.239 -0.260 18118 3277 1 7 . 1 1 67 67 ASP N N 67 118.539 118.539 118.084 0.455 18118 3278 1 7 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.509 -0.175 18118 3279 1 7 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.777 -1.050 18118 3280 1 7 . 1 1 67 67 ASP CB C 67 41.607 41.607 40.678 0.929 18118 3281 1 7 . 1 1 67 67 ASP H H 67 7.325 7.325 8.164 -0.839 18118 3282 1 7 . 1 1 68 68 VAL N N 68 119.502 119.502 119.274 0.228 18118 3283 1 7 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.831 -0.656 18118 3284 1 7 . 1 1 68 68 VAL CA C 68 64.830 64.830 64.317 0.513 18118 3285 1 7 . 1 1 68 68 VAL CB C 68 28.834 28.834 32.235 -3.401 18118 3286 1 7 . 1 1 68 68 VAL H H 68 7.165 7.165 7.345 -0.180 18118 3287 1 7 . 1 1 69 69 GLN N N 69 115.899 115.899 119.955 -4.056 18118 3288 1 7 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.993 -0.259 18118 3289 1 7 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.653 -2.249 18118 3290 1 7 . 1 1 69 69 GLN CB C 69 25.212 25.212 27.993 -2.781 18118 3291 1 7 . 1 1 69 69 GLN H H 69 7.718 7.718 7.745 -0.027 18118 3292 1 7 . 1 1 70 70 LYS N N 70 118.403 118.403 118.613 -0.210 18118 3293 1 7 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.044 -0.116 18118 3294 1 7 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.566 -2.629 18118 3295 1 7 . 1 1 70 70 LYS CB C 70 29.946 29.946 31.568 -1.622 18118 3296 1 7 . 1 1 70 70 LYS H H 70 7.767 7.767 7.708 0.059 18118 3297 1 7 . 1 1 71 71 ALA N N 71 124.650 124.650 120.891 3.759 18118 3298 1 7 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.426 -0.399 18118 3299 1 7 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.551 -1.808 18118 3300 1 7 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.340 -2.226 18118 3301 1 7 . 1 1 71 71 ALA H H 71 8.160 8.160 7.116 1.044 18118 3302 1 7 . 1 1 72 72 LEU N N 72 116.557 116.557 119.962 -3.405 18118 3303 1 7 . 1 1 72 72 LEU HA H 72 3.794 3.794 4.075 -0.281 18118 3304 1 7 . 1 1 72 72 LEU CA C 72 54.664 54.664 57.739 -3.075 18118 3305 1 7 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.547 -2.714 18118 3306 1 7 . 1 1 72 72 LEU H H 72 8.055 8.055 7.817 0.238 18118 3307 1 7 . 1 1 73 73 GLU N N 73 117.807 117.807 118.558 -0.751 18118 3308 1 7 . 1 1 73 73 GLU HA H 73 4.090 4.090 3.906 0.184 18118 3309 1 7 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.408 -3.946 18118 3310 1 7 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.287 -2.481 18118 3311 1 7 . 1 1 73 73 GLU H H 73 7.369 7.369 8.057 -0.688 18118 3312 1 7 . 1 1 74 74 LYS N N 74 116.715 116.715 117.138 -0.423 18118 3313 1 7 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.260 -0.068 18118 3314 1 7 . 1 1 74 74 LYS CA C 74 51.741 51.741 56.272 -4.531 18118 3315 1 7 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.120 -2.656 18118 3316 1 7 . 1 1 74 74 LYS H H 74 7.805 7.805 7.652 0.153 18118 3317 1 7 . 1 1 75 75 HIS N N 75 117.177 117.177 115.990 1.187 18118 3318 1 7 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.600 -0.272 18118 3319 1 7 . 1 1 75 75 HIS CA C 75 55.811 55.811 57.486 -1.675 18118 3320 1 7 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.171 0.412 18118 3321 1 7 . 1 1 75 75 HIS H H 75 7.184 7.184 8.088 -0.904 18118 3322 1 7 . 1 1 76 76 ARG N N 76 121.753 121.753 118.822 2.931 18118 3323 1 7 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.239 0.067 18118 3324 1 7 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.800 -0.081 18118 3325 1 7 . 1 1 76 76 ARG CB C 76 33.288 33.288 30.818 2.470 18118 3326 1 7 . 1 1 76 76 ARG H H 76 9.042 9.042 8.138 0.904 18118 3327 1 7 . 1 1 77 77 MET N N 77 117.206 117.206 118.875 -1.669 18118 3328 1 7 . 1 1 77 77 MET HA H 77 4.598 4.598 4.617 -0.019 18118 3329 1 7 . 1 1 77 77 MET CA C 77 52.590 52.590 55.688 -3.098 18118 3330 1 7 . 1 1 77 77 MET CB C 77 31.234 31.234 33.614 -2.380 18118 3331 1 7 . 1 1 77 77 MET H H 77 7.835 7.835 8.319 -0.484 18118 3332 1 7 . 1 1 78 78 TYR N N 78 117.960 117.960 115.615 2.345 18118 3333 1 7 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.734 -0.132 18118 3334 1 7 . 1 1 78 78 TYR CA C 78 56.028 56.028 56.888 -0.860 18118 3335 1 7 . 1 1 78 78 TYR CB C 78 37.334 37.334 40.179 -2.845 18118 3336 1 7 . 1 1 78 78 TYR H H 78 8.359 8.359 8.472 -0.113 18118 3337 1 7 . 1 1 79 79 MET N N 79 124.673 124.673 116.890 7.783 18118 3338 1 7 . 1 1 79 79 MET HA H 79 4.325 4.325 4.362 -0.037 18118 3339 1 7 . 1 1 79 79 MET CA C 79 52.338 52.338 54.790 -2.452 18118 3340 1 7 . 1 1 79 79 MET CB C 79 31.907 31.907 34.026 -2.119 18118 3341 1 7 . 1 1 79 79 MET H H 79 8.642 8.642 8.611 0.031 18118 3342 1 7 . 1 1 80 80 GLY N N 80 115.191 115.191 110.783 4.408 18118 3343 1 7 . 1 1 80 80 GLY CA C 80 44.426 44.426 46.071 -1.645 18118 3344 1 7 . 1 1 80 80 GLY H H 80 8.709 8.709 7.978 0.731 18118 3345 1 7 . 1 1 81 81 GLN N N 81 121.981 121.981 124.014 -2.033 18118 3346 1 7 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.673 -0.526 18118 3347 1 7 . 1 1 81 81 GLN CA C 81 53.557 53.557 53.623 -0.066 18118 3348 1 7 . 1 1 81 81 GLN CB C 81 26.736 26.736 28.781 -2.045 18118 3349 1 7 . 1 1 81 81 GLN H H 81 8.598 8.598 7.955 0.643 18118 3350 1 7 . 1 1 82 82 ARG N N 82 118.652 118.652 124.160 -5.508 18118 3351 1 7 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.215 0.285 18118 3352 1 7 . 1 1 82 82 ARG CA C 82 51.593 51.593 57.141 -5.548 18118 3353 1 7 . 1 1 82 82 ARG CB C 82 29.507 29.507 27.992 1.515 18118 3354 1 7 . 1 1 82 82 ARG H H 82 7.660 7.660 8.475 -0.815 18118 3355 1 7 . 1 1 84 84 VAL N N 84 125.216 125.216 122.327 2.889 18118 3356 1 7 . 1 1 84 84 VAL HA H 84 4.318 4.318 3.930 0.388 18118 3357 1 7 . 1 1 84 84 VAL CA C 84 58.647 58.647 62.441 -3.794 18118 3358 1 7 . 1 1 84 84 VAL CB C 84 31.015 31.015 29.296 1.719 18118 3359 1 7 . 1 1 84 84 VAL H H 84 8.222 8.222 8.331 -0.109 18118 3360 1 7 . 1 1 86 86 VAL N N 86 120.000 120.000 126.001 -6.001 18118 3361 1 7 . 1 1 86 86 VAL HA H 86 4.807 4.807 4.744 0.063 18118 3362 1 7 . 1 1 86 86 VAL CA C 86 58.928 58.928 60.607 -1.679 18118 3363 1 7 . 1 1 86 86 VAL CB C 86 33.201 33.201 33.672 -0.471 18118 3364 1 7 . 1 1 87 87 TYR N N 87 120.377 120.377 127.052 -6.675 18118 3365 1 7 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.873 -0.249 18118 3366 1 7 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.574 -3.130 18118 3367 1 7 . 1 1 87 87 TYR CB C 87 40.105 40.105 42.928 -2.823 18118 3368 1 7 . 1 1 87 87 TYR H H 87 8.731 8.731 8.631 0.100 18118 3369 1 7 . 1 1 88 88 GLU N N 88 122.304 122.304 120.836 1.468 18118 3370 1 7 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.526 -0.176 18118 3371 1 7 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.481 -2.841 18118 3372 1 7 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.907 -2.477 18118 3373 1 7 . 1 1 88 88 GLU H H 88 8.873 8.873 8.619 0.254 18118 3374 1 7 . 1 1 89 89 ILE N N 89 125.082 125.082 123.411 1.671 18118 3375 1 7 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.223 0.035 18118 3376 1 7 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.715 -3.884 18118 3377 1 7 . 1 1 89 89 ILE CB C 89 34.985 34.985 38.184 -3.199 18118 3378 1 7 . 1 1 89 89 ILE H H 89 7.983 7.983 8.228 -0.245 18118 3379 1 7 . 1 1 90 90 ASN N N 90 126.142 126.142 121.085 5.057 18118 3380 1 7 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.892 -0.301 18118 3381 1 7 . 1 1 90 90 ASN CA C 90 50.615 50.615 51.767 -1.152 18118 3382 1 7 . 1 1 90 90 ASN CB C 90 36.638 36.638 40.829 -4.191 18118 3383 1 7 . 1 1 90 90 ASN H H 90 8.890 8.890 8.373 0.517 18118 3384 1 7 . 1 1 91 91 ASN N N 91 121.333 121.333 121.756 -0.423 18118 3385 1 7 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.255 0.041 18118 3386 1 7 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.681 -2.731 18118 3387 1 7 . 1 1 91 91 ASN CB C 91 36.305 36.305 37.942 -1.637 18118 3388 1 7 . 1 1 91 91 ASN H H 91 8.867 8.867 9.157 -0.290 18118 3389 1 7 . 1 1 92 92 GLU N N 92 117.848 117.848 118.135 -0.287 18118 3390 1 7 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.071 0.021 18118 3391 1 7 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.375 -2.824 18118 3392 1 7 . 1 1 92 92 GLU CB C 92 26.767 26.767 28.958 -2.191 18118 3393 1 7 . 1 1 92 92 GLU H H 92 8.869 8.869 8.704 0.165 18118 3394 1 7 . 1 1 93 93 ASP N N 93 118.819 118.819 117.938 0.881 18118 3395 1 7 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.840 -0.188 18118 3396 1 7 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.161 -2.024 18118 3397 1 7 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.771 -2.249 18118 3398 1 7 . 1 1 93 93 ASP H H 93 7.965 7.965 8.092 -0.127 18118 3399 1 7 . 1 1 94 94 VAL N N 94 120.480 120.480 119.229 1.251 18118 3400 1 7 . 1 1 94 94 VAL HA H 94 3.274 3.274 4.018 -0.744 18118 3401 1 7 . 1 1 94 94 VAL CA C 94 64.179 64.179 64.720 -0.541 18118 3402 1 7 . 1 1 94 94 VAL CB C 94 29.477 29.477 33.105 -3.628 18118 3403 1 7 . 1 1 94 94 VAL H H 94 7.406 7.406 7.500 -0.094 18118 3404 1 7 . 1 1 95 95 ASP N N 95 119.806 119.806 120.816 -1.010 18118 3405 1 7 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.313 -0.158 18118 3406 1 7 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.884 -2.668 18118 3407 1 7 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.487 -1.860 18118 3408 1 7 . 1 1 95 95 ASP H H 95 8.342 8.342 7.778 0.564 18118 3409 1 7 . 1 1 96 96 ALA N N 96 119.946 119.946 122.118 -2.172 18118 3410 1 7 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.165 -0.239 18118 3411 1 7 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.375 -2.235 18118 3412 1 7 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.293 -2.617 18118 3413 1 7 . 1 1 96 96 ALA H H 96 8.162 8.162 8.398 -0.236 18118 3414 1 7 . 1 1 97 97 LEU N N 97 119.391 119.391 119.337 0.054 18118 3415 1 7 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.942 0.043 18118 3416 1 7 . 1 1 97 97 LEU CA C 97 54.831 54.831 58.093 -3.262 18118 3417 1 7 . 1 1 97 97 LEU CB C 97 39.438 39.438 41.239 -1.801 18118 3418 1 7 . 1 1 97 97 LEU H H 97 7.679 7.679 7.730 -0.051 18118 3419 1 7 . 1 1 98 98 MET N N 98 118.055 118.055 116.577 1.478 18118 3420 1 7 . 1 1 98 98 MET HA H 98 4.128 4.128 4.037 0.091 18118 3421 1 7 . 1 1 98 98 MET CA C 98 54.606 54.606 58.831 -4.225 18118 3422 1 7 . 1 1 98 98 MET CB C 98 27.902 27.902 31.946 -4.044 18118 3423 1 7 . 1 1 98 98 MET H H 98 8.504 8.504 7.671 0.833 18118 3424 1 7 . 1 1 99 99 LYS N N 99 119.351 119.351 119.236 0.115 18118 3425 1 7 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.034 -0.063 18118 3426 1 7 . 1 1 99 99 LYS CA C 99 56.301 56.301 59.099 -2.799 18118 3427 1 7 . 1 1 99 99 LYS CB C 99 29.692 29.692 31.726 -2.034 18118 3428 1 7 . 1 1 99 99 LYS H H 99 7.986 7.986 7.948 0.038 18118 3429 1 7 . 1 1 100 100 SER N N 100 114.964 114.964 117.422 -2.458 18118 3430 1 7 . 1 1 100 100 SER HA H 100 4.268 4.268 4.239 0.029 18118 3431 1 7 . 1 1 100 100 SER CA C 100 57.764 57.764 61.209 -3.445 18118 3432 1 7 . 1 1 100 100 SER CB C 100 60.753 60.753 63.094 -2.341 18118 3433 1 7 . 1 1 100 100 SER H H 100 7.711 7.711 7.829 -0.118 18118 3434 1 7 . 1 1 101 101 LEU N N 101 120.679 120.679 119.441 1.238 18118 3435 1 7 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.393 -0.233 18118 3436 1 7 . 1 1 101 101 LEU CA C 101 52.893 52.893 54.132 -1.239 18118 3437 1 7 . 1 1 101 101 LEU CB C 101 39.541 39.541 41.344 -1.803 18118 3438 1 7 . 1 1 101 101 LEU H H 101 7.405 7.405 7.434 -0.029 18118 3439 1 7 . 1 1 102 102 GLN N N 102 117.646 117.646 121.462 -3.816 18118 3440 1 7 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.294 -0.099 18118 3441 1 7 . 1 1 102 102 GLN CA C 102 53.360 53.360 56.494 -3.134 18118 3442 1 7 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.439 -0.959 18118 3443 1 7 . 1 1 102 102 GLN H H 102 7.588 7.588 7.767 -0.179 18118 3444 1 7 . 1 1 103 103 VAL N N 103 120.269 120.269 117.910 2.359 18118 3445 1 7 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.285 -0.270 18118 3446 1 7 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.154 -2.399 18118 3447 1 7 . 1 1 103 103 VAL CB C 103 30.579 30.579 32.423 -1.844 18118 3448 1 7 . 1 1 103 103 VAL H H 103 7.839 7.839 7.593 0.246 18118 3449 1 7 . 1 1 104 104 LYS N N 104 125.201 125.201 125.491 -0.290 18118 3450 1 7 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.513 -0.170 18118 3451 1 7 . 1 1 104 104 LYS CA C 104 53.348 53.348 55.905 -2.557 18118 3452 1 7 . 1 1 104 104 LYS CB C 104 30.634 30.634 34.426 -3.792 18118 3453 1 7 . 1 1 104 104 LYS H H 104 8.364 8.364 8.081 0.283 18118 3454 1 7 . 1 1 105 105 SER N N 105 117.664 117.664 118.971 -1.307 18118 3455 1 7 . 1 1 105 105 SER HA H 105 4.401 4.401 4.678 -0.277 18118 3456 1 7 . 1 1 105 105 SER CA C 105 55.611 55.611 58.832 -3.221 18118 3457 1 7 . 1 1 105 105 SER CB C 105 61.286 61.286 63.700 -2.414 18118 3458 1 7 . 1 1 105 105 SER H H 105 8.354 8.354 8.442 -0.088 18118 3459 1 8 . 1 1 2 2 SER N N 2 118.867 118.867 115.359 3.508 18118 3460 1 8 . 1 1 2 2 SER HA H 2 4.707 4.707 4.660 0.047 18118 3461 1 8 . 1 1 2 2 SER CA C 2 55.678 55.678 57.715 -2.037 18118 3462 1 8 . 1 1 2 2 SER CB C 2 61.009 61.009 64.256 -3.247 18118 3463 1 8 . 1 1 2 2 SER H H 2 8.195 8.195 8.290 -0.095 18118 3464 1 8 . 1 1 3 3 LYS N N 3 123.188 123.188 124.541 -1.353 18118 3465 1 8 . 1 1 3 3 LYS CA C 3 53.708 53.708 57.432 -3.724 18118 3466 1 8 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.902 -2.528 18118 3467 1 8 . 1 1 3 3 LYS H H 3 8.427 8.427 8.586 -0.159 18118 3468 1 8 . 1 1 4 4 LEU N N 4 123.342 123.342 123.581 -0.239 18118 3469 1 8 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.791 -0.587 18118 3470 1 8 . 1 1 4 4 LEU CA C 4 52.990 52.990 54.200 -1.210 18118 3471 1 8 . 1 1 4 4 LEU CB C 4 39.667 39.667 43.717 -4.050 18118 3472 1 8 . 1 1 4 4 LEU H H 4 8.311 8.311 8.009 0.302 18118 3473 1 8 . 1 1 5 5 GLU N N 5 120.431 120.431 119.831 0.600 18118 3474 1 8 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.472 -0.315 18118 3475 1 8 . 1 1 5 5 GLU CA C 5 54.230 54.230 55.886 -1.655 18118 3476 1 8 . 1 1 5 5 GLU CB C 5 27.847 27.847 29.832 -1.985 18118 3477 1 8 . 1 1 5 5 GLU H H 5 8.321 8.321 8.680 -0.359 18118 3478 1 8 . 1 1 6 6 GLU N N 6 120.027 120.027 121.538 -1.511 18118 3479 1 8 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.221 -0.030 18118 3480 1 8 . 1 1 6 6 GLU CA C 6 53.842 53.842 56.606 -2.764 18118 3481 1 8 . 1 1 6 6 GLU CB C 6 27.723 27.723 30.226 -2.503 18118 3482 1 8 . 1 1 6 6 GLU H H 6 8.177 8.177 8.017 0.160 18118 3483 1 8 . 1 1 7 7 GLU N N 7 121.663 121.663 120.895 0.768 18118 3484 1 8 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.433 -0.242 18118 3485 1 8 . 1 1 7 7 GLU CA C 7 53.679 53.679 55.855 -2.176 18118 3486 1 8 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.582 -2.034 18118 3487 1 8 . 1 1 7 7 GLU H H 7 8.228 8.228 8.577 -0.349 18118 3488 1 8 . 1 1 8 8 VAL N N 8 120.733 120.733 117.720 3.013 18118 3489 1 8 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.155 -0.069 18118 3490 1 8 . 1 1 8 8 VAL CA C 8 59.139 59.139 62.075 -2.936 18118 3491 1 8 . 1 1 8 8 VAL CB C 8 30.700 30.700 32.302 -1.602 18118 3492 1 8 . 1 1 8 8 VAL H H 8 8.102 8.102 7.682 0.420 18118 3493 1 8 . 1 1 9 9 ASP N N 9 124.190 124.190 120.227 3.963 18118 3494 1 8 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.543 0.014 18118 3495 1 8 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.603 -3.423 18118 3496 1 8 . 1 1 9 9 ASP CB C 9 38.781 38.781 42.047 -3.267 18118 3497 1 8 . 1 1 9 9 ASP H H 9 8.313 8.313 8.305 0.008 18118 3498 1 8 . 1 1 10 10 ASP N N 10 120.966 120.966 119.307 1.659 18118 3499 1 8 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.450 -0.071 18118 3500 1 8 . 1 1 10 10 ASP CA C 10 51.555 51.555 54.303 -2.748 18118 3501 1 8 . 1 1 10 10 ASP CB C 10 39.138 39.138 39.666 -0.528 18118 3502 1 8 . 1 1 10 10 ASP H H 10 8.106 8.106 8.440 -0.334 18118 3503 1 8 . 1 1 11 11 VAL N N 11 119.321 119.321 118.589 0.732 18118 3504 1 8 . 1 1 11 11 VAL HA H 11 3.919 3.919 3.881 0.038 18118 3505 1 8 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.351 -2.630 18118 3506 1 8 . 1 1 11 11 VAL CB C 11 31.300 31.300 33.175 -1.875 18118 3507 1 8 . 1 1 11 11 VAL H H 11 7.528 7.528 7.459 0.069 18118 3508 1 8 . 1 1 12 12 PHE N N 12 125.723 125.723 124.399 1.324 18118 3509 1 8 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.780 -0.194 18118 3510 1 8 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.170 -1.406 18118 3511 1 8 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.264 -0.566 18118 3512 1 8 . 1 1 12 12 PHE H H 12 8.573 8.573 8.480 0.093 18118 3513 1 8 . 1 1 13 13 LEU N N 13 123.923 123.923 120.512 3.411 18118 3514 1 8 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.337 -0.105 18118 3515 1 8 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.657 -2.296 18118 3516 1 8 . 1 1 13 13 LEU CB C 13 44.651 44.651 46.660 -2.009 18118 3517 1 8 . 1 1 13 13 LEU H H 13 8.794 8.794 7.585 1.209 18118 3518 1 8 . 1 1 14 14 ILE N N 14 114.563 114.563 113.219 1.344 18118 3519 1 8 . 1 1 14 14 ILE HA H 14 4.891 4.891 4.875 0.016 18118 3520 1 8 . 1 1 14 14 ILE CA C 14 55.381 55.381 59.252 -3.871 18118 3521 1 8 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.476 -3.158 18118 3522 1 8 . 1 1 14 14 ILE H H 14 8.316 8.316 8.877 -0.561 18118 3523 1 8 . 1 1 15 15 ARG N N 15 122.555 122.555 122.708 -0.153 18118 3524 1 8 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.300 0.034 18118 3525 1 8 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.664 -3.371 18118 3526 1 8 . 1 1 15 15 ARG CB C 15 31.850 31.850 33.438 -1.588 18118 3527 1 8 . 1 1 15 15 ARG H H 15 9.231 9.231 8.983 0.248 18118 3528 1 8 . 1 1 16 16 ALA N N 16 127.755 127.755 128.329 -0.574 18118 3529 1 8 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.417 0.279 18118 3530 1 8 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.027 -3.252 18118 3531 1 8 . 1 1 16 16 ALA CB C 16 18.337 18.337 22.320 -3.983 18118 3532 1 8 . 1 1 16 16 ALA H H 16 9.005 9.005 8.856 0.149 18118 3533 1 8 . 1 1 17 17 GLN N N 17 121.076 121.076 123.583 -2.507 18118 3534 1 8 . 1 1 17 17 GLN HA H 17 5.135 5.135 4.762 0.373 18118 3535 1 8 . 1 1 17 17 GLN CA C 17 51.832 51.832 55.322 -3.490 18118 3536 1 8 . 1 1 17 17 GLN CB C 17 30.738 30.738 29.805 0.933 18118 3537 1 8 . 1 1 17 17 GLN H H 17 9.557 9.557 8.257 1.300 18118 3538 1 8 . 1 1 18 18 GLY N N 18 110.950 110.950 107.887 3.063 18118 3539 1 8 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.010 -2.188 18118 3540 1 8 . 1 1 18 18 GLY H H 18 8.294 8.294 8.360 -0.066 18118 3541 1 8 . 1 1 19 19 LEU N N 19 118.809 118.809 123.871 -5.062 18118 3542 1 8 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.623 -0.591 18118 3543 1 8 . 1 1 19 19 LEU CA C 19 50.705 50.705 52.022 -1.317 18118 3544 1 8 . 1 1 19 19 LEU CB C 19 37.568 37.568 43.042 -5.474 18118 3545 1 8 . 1 1 19 19 LEU H H 19 8.292 8.292 7.888 0.404 18118 3546 1 8 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.246 0.046 18118 3547 1 8 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.309 -2.208 18118 3548 1 8 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.803 -3.604 18118 3549 1 8 . 1 1 21 21 TRP N N 21 124.383 124.383 119.739 4.644 18118 3550 1 8 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.472 0.218 18118 3551 1 8 . 1 1 21 21 TRP CA C 21 56.237 56.237 59.725 -3.488 18118 3552 1 8 . 1 1 21 21 TRP CB C 21 25.965 25.965 29.089 -3.124 18118 3553 1 8 . 1 1 21 21 TRP H H 21 8.527 8.527 8.440 0.087 18118 3554 1 8 . 1 1 22 22 SER N N 22 109.532 109.532 115.985 -6.453 18118 3555 1 8 . 1 1 22 22 SER HA H 22 4.099 4.099 4.581 -0.482 18118 3556 1 8 . 1 1 22 22 SER CA C 22 54.162 54.162 58.078 -3.916 18118 3557 1 8 . 1 1 22 22 SER CB C 22 60.334 60.334 60.865 -0.531 18118 3558 1 8 . 1 1 22 22 SER H H 22 7.436 7.436 8.257 -0.821 18118 3559 1 8 . 1 1 23 23 CYS N N 23 119.744 119.744 121.461 -1.717 18118 3560 1 8 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.618 -0.152 18118 3561 1 8 . 1 1 23 23 CYS CA C 23 55.975 55.975 57.530 -1.555 18118 3562 1 8 . 1 1 23 23 CYS CB C 23 25.489 25.489 29.823 -4.334 18118 3563 1 8 . 1 1 23 23 CYS H H 23 7.221 7.221 8.092 -0.871 18118 3564 1 8 . 1 1 24 24 THR N N 24 115.371 115.371 116.987 -1.616 18118 3565 1 8 . 1 1 24 24 THR HA H 24 4.697 4.697 4.237 0.460 18118 3566 1 8 . 1 1 24 24 THR CA C 24 57.172 57.172 60.356 -3.184 18118 3567 1 8 . 1 1 24 24 THR CB C 24 56.222 56.222 70.935 -14.713 18118 3568 1 8 . 1 1 24 24 THR H H 24 9.082 9.082 7.649 1.433 18118 3569 1 8 . 1 1 25 25 MET N N 25 118.539 118.539 119.599 -1.060 18118 3570 1 8 . 1 1 25 25 MET HA H 25 4.161 4.161 4.033 0.128 18118 3571 1 8 . 1 1 25 25 MET CA C 25 57.241 57.241 60.113 -2.872 18118 3572 1 8 . 1 1 25 25 MET CB C 25 29.452 29.452 32.246 -2.794 18118 3573 1 8 . 1 1 25 25 MET H H 25 8.794 8.794 8.642 0.152 18118 3574 1 8 . 1 1 26 26 GLU N N 26 118.967 118.967 120.481 -1.514 18118 3575 1 8 . 1 1 26 26 GLU HA H 26 3.802 3.802 4.061 -0.259 18118 3576 1 8 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.163 -2.916 18118 3577 1 8 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.625 -1.962 18118 3578 1 8 . 1 1 26 26 GLU H H 26 8.462 8.462 8.633 -0.171 18118 3579 1 8 . 1 1 27 27 ASP N N 27 118.711 118.711 116.161 2.550 18118 3580 1 8 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.387 -0.088 18118 3581 1 8 . 1 1 27 27 ASP CA C 27 55.071 55.071 56.872 -1.801 18118 3582 1 8 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.292 -1.636 18118 3583 1 8 . 1 1 27 27 ASP H H 27 7.812 7.812 8.823 -1.011 18118 3584 1 8 . 1 1 28 28 VAL N N 28 120.825 120.825 117.165 3.660 18118 3585 1 8 . 1 1 28 28 VAL HA H 28 3.444 3.444 4.039 -0.595 18118 3586 1 8 . 1 1 28 28 VAL CA C 28 64.841 64.841 63.084 1.758 18118 3587 1 8 . 1 1 28 28 VAL CB C 28 29.052 29.052 33.108 -4.056 18118 3588 1 8 . 1 1 28 28 VAL H H 28 7.528 7.528 7.211 0.317 18118 3589 1 8 . 1 1 29 29 LEU N N 29 120.586 120.586 122.051 -1.465 18118 3590 1 8 . 1 1 29 29 LEU HA H 29 3.778 3.778 4.018 -0.240 18118 3591 1 8 . 1 1 29 29 LEU CA C 29 55.982 55.982 59.054 -3.072 18118 3592 1 8 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.955 -3.001 18118 3593 1 8 . 1 1 29 29 LEU H H 29 8.399 8.399 8.577 -0.178 18118 3594 1 8 . 1 1 30 30 ASN N N 30 114.059 114.059 115.692 -1.633 18118 3595 1 8 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.498 -0.100 18118 3596 1 8 . 1 1 30 30 ASN CA C 30 52.480 52.480 55.784 -3.304 18118 3597 1 8 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.285 -2.153 18118 3598 1 8 . 1 1 30 30 ASN H H 30 8.156 8.156 7.872 0.284 18118 3599 1 8 . 1 1 31 31 PHE N N 31 123.816 123.816 121.033 2.783 18118 3600 1 8 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.080 0.047 18118 3601 1 8 . 1 1 31 31 PHE CA C 31 58.819 58.819 59.919 -1.100 18118 3602 1 8 . 1 1 31 31 PHE CB C 31 37.176 37.176 38.816 -1.640 18118 3603 1 8 . 1 1 31 31 PHE H H 31 8.033 8.033 7.949 0.084 18118 3604 1 8 . 1 1 32 32 PHE N N 32 115.681 115.681 115.572 0.109 18118 3605 1 8 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.631 0.022 18118 3606 1 8 . 1 1 32 32 PHE CA C 32 54.039 54.039 56.080 -2.041 18118 3607 1 8 . 1 1 32 32 PHE CB C 32 35.047 35.047 36.767 -1.720 18118 3608 1 8 . 1 1 32 32 PHE H H 32 7.622 7.622 8.161 -0.539 18118 3609 1 8 . 1 1 33 33 SER N N 33 113.797 113.797 117.399 -3.602 18118 3610 1 8 . 1 1 33 33 SER HA H 33 4.111 4.111 4.235 -0.124 18118 3611 1 8 . 1 1 33 33 SER CA C 33 59.041 59.041 61.123 -2.082 18118 3612 1 8 . 1 1 33 33 SER CB C 33 60.339 60.339 63.388 -3.049 18118 3613 1 8 . 1 1 33 33 SER H H 33 6.834 6.834 7.885 -1.051 18118 3614 1 8 . 1 1 34 34 ASP N N 34 119.155 119.155 119.269 -0.114 18118 3615 1 8 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.879 -0.298 18118 3616 1 8 . 1 1 34 34 ASP CA C 34 51.606 51.606 53.387 -1.781 18118 3617 1 8 . 1 1 34 34 ASP CB C 34 37.727 37.727 41.353 -3.626 18118 3618 1 8 . 1 1 34 34 ASP H H 34 8.717 8.717 8.642 0.075 18118 3619 1 8 . 1 1 35 35 CYS N N 35 117.269 117.269 116.087 1.182 18118 3620 1 8 . 1 1 35 35 CYS HA H 35 4.508 4.508 5.205 -0.697 18118 3621 1 8 . 1 1 35 35 CYS CA C 35 54.961 54.961 56.293 -1.332 18118 3622 1 8 . 1 1 35 35 CYS CB C 35 27.986 27.986 31.413 -3.426 18118 3623 1 8 . 1 1 35 35 CYS H H 35 8.009 8.009 7.649 0.360 18118 3624 1 8 . 1 1 36 36 ARG N N 36 123.980 123.980 122.276 1.704 18118 3625 1 8 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.607 -0.318 18118 3626 1 8 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.712 -1.984 18118 3627 1 8 . 1 1 36 36 ARG CB C 36 26.279 26.279 29.521 -3.242 18118 3628 1 8 . 1 1 36 36 ARG H H 36 8.666 8.666 8.710 -0.044 18118 3629 1 8 . 1 1 37 37 ILE N N 37 128.014 128.014 124.734 3.280 18118 3630 1 8 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.126 0.085 18118 3631 1 8 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.506 -2.927 18118 3632 1 8 . 1 1 37 37 ILE CB C 37 36.026 36.026 38.860 -2.834 18118 3633 1 8 . 1 1 37 37 ILE H H 37 8.084 8.084 8.681 -0.597 18118 3634 1 8 . 1 1 38 38 ARG N N 38 133.264 133.264 127.853 5.411 18118 3635 1 8 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.169 -0.324 18118 3636 1 8 . 1 1 38 38 ARG CA C 38 54.767 54.767 56.962 -2.195 18118 3637 1 8 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.486 -2.657 18118 3638 1 8 . 1 1 38 38 ARG H H 38 8.662 8.662 8.854 -0.192 18118 3639 1 8 . 1 1 39 39 ASN N N 39 117.723 117.723 119.692 -1.969 18118 3640 1 8 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.377 -0.195 18118 3641 1 8 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.444 -2.743 18118 3642 1 8 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.751 -2.905 18118 3643 1 8 . 1 1 39 39 ASN H H 39 8.992 8.992 9.093 -0.101 18118 3644 1 8 . 1 1 40 40 GLY N N 40 108.314 108.314 107.813 0.501 18118 3645 1 8 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.826 -2.543 18118 3646 1 8 . 1 1 40 40 GLY H H 40 7.949 7.949 7.938 0.011 18118 3647 1 8 . 1 1 41 41 GLU N N 41 124.398 124.398 124.507 -0.109 18118 3648 1 8 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.042 -0.230 18118 3649 1 8 . 1 1 41 41 GLU CA C 41 56.741 56.741 58.590 -1.849 18118 3650 1 8 . 1 1 41 41 GLU CB C 41 26.718 26.718 29.420 -2.702 18118 3651 1 8 . 1 1 41 41 GLU H H 41 9.235 9.235 8.198 1.037 18118 3652 1 8 . 1 1 42 42 ASN N N 42 113.155 113.155 118.523 -5.368 18118 3653 1 8 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.697 -0.190 18118 3654 1 8 . 1 1 42 42 ASN CA C 42 51.901 51.901 54.173 -2.272 18118 3655 1 8 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.627 -2.562 18118 3656 1 8 . 1 1 42 42 ASN H H 42 7.523 7.523 8.338 -0.815 18118 3657 1 8 . 1 1 43 43 GLY N N 43 109.898 109.898 107.752 2.146 18118 3658 1 8 . 1 1 43 43 GLY CA C 43 42.561 42.561 45.375 -2.814 18118 3659 1 8 . 1 1 43 43 GLY H H 43 8.131 8.131 7.658 0.473 18118 3660 1 8 . 1 1 44 44 ILE N N 44 119.116 119.116 122.406 -3.290 18118 3661 1 8 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.559 -0.782 18118 3662 1 8 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.129 -3.849 18118 3663 1 8 . 1 1 44 44 ILE CB C 44 36.145 36.145 38.633 -2.488 18118 3664 1 8 . 1 1 44 44 ILE H H 44 6.715 6.715 7.525 -0.810 18118 3665 1 8 . 1 1 45 45 HIS N N 45 124.064 124.064 127.667 -3.603 18118 3666 1 8 . 1 1 45 45 HIS HA H 45 4.883 4.883 5.050 -0.167 18118 3667 1 8 . 1 1 45 45 HIS CA C 45 49.681 49.681 55.234 -5.553 18118 3668 1 8 . 1 1 45 45 HIS CB C 45 25.934 25.934 32.577 -6.643 18118 3669 1 8 . 1 1 45 45 HIS H H 45 8.493 8.493 9.416 -0.923 18118 3670 1 8 . 1 1 46 46 PHE N N 46 123.886 123.886 125.878 -1.992 18118 3671 1 8 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.886 -0.323 18118 3672 1 8 . 1 1 46 46 PHE CA C 46 57.122 57.122 55.887 1.235 18118 3673 1 8 . 1 1 46 46 PHE CB C 46 36.299 36.299 39.316 -3.018 18118 3674 1 8 . 1 1 46 46 PHE H H 46 9.014 9.014 8.386 0.628 18118 3675 1 8 . 1 1 47 47 LEU N N 47 124.343 124.343 127.316 -2.973 18118 3676 1 8 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.452 0.052 18118 3677 1 8 . 1 1 47 47 LEU CA C 47 51.885 51.885 54.029 -2.144 18118 3678 1 8 . 1 1 47 47 LEU CB C 47 38.896 38.896 41.109 -2.213 18118 3679 1 8 . 1 1 47 47 LEU H H 47 8.066 8.066 8.654 -0.588 18118 3680 1 8 . 1 1 48 48 LEU N N 48 122.809 122.809 122.536 0.273 18118 3681 1 8 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.502 0.323 18118 3682 1 8 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.442 -2.512 18118 3683 1 8 . 1 1 48 48 LEU CB C 48 41.655 41.655 44.674 -3.019 18118 3684 1 8 . 1 1 48 48 LEU H H 48 8.754 8.754 7.904 0.850 18118 3685 1 8 . 1 1 49 49 ASN N N 49 119.420 119.420 117.871 1.549 18118 3686 1 8 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.749 0.042 18118 3687 1 8 . 1 1 49 49 ASN CA C 49 48.595 48.595 53.077 -4.481 18118 3688 1 8 . 1 1 49 49 ASN CB C 49 36.735 36.735 40.528 -3.792 18118 3689 1 8 . 1 1 49 49 ASN H H 49 8.757 8.757 8.329 0.428 18118 3690 1 8 . 1 1 50 50 ARG N N 50 119.367 119.367 120.369 -1.002 18118 3691 1 8 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.185 -0.159 18118 3692 1 8 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.330 -2.412 18118 3693 1 8 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.912 -2.717 18118 3694 1 8 . 1 1 50 50 ARG H H 50 8.618 8.618 8.730 -0.112 18118 3695 1 8 . 1 1 51 51 ASP N N 51 116.650 116.650 116.879 -0.229 18118 3696 1 8 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.906 -0.321 18118 3697 1 8 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.344 -2.064 18118 3698 1 8 . 1 1 51 51 ASP CB C 51 38.544 38.544 41.156 -2.612 18118 3699 1 8 . 1 1 51 51 ASP H H 51 7.577 7.577 7.834 -0.257 18118 3700 1 8 . 1 1 52 52 GLY N N 52 107.719 107.719 108.962 -1.243 18118 3701 1 8 . 1 1 52 52 GLY CA C 52 43.341 43.341 46.111 -2.770 18118 3702 1 8 . 1 1 52 52 GLY H H 52 8.171 8.171 8.484 -0.313 18118 3703 1 8 . 1 1 53 53 LYS N N 53 119.174 119.174 120.864 -1.690 18118 3704 1 8 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.225 0.194 18118 3705 1 8 . 1 1 53 53 LYS CA C 53 51.788 51.788 56.104 -4.316 18118 3706 1 8 . 1 1 53 53 LYS CB C 53 30.976 30.976 30.481 0.495 18118 3707 1 8 . 1 1 53 53 LYS H H 53 7.750 7.750 8.559 -0.809 18118 3708 1 8 . 1 1 54 54 ARG N N 54 121.126 121.126 120.790 0.336 18118 3709 1 8 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.219 -0.050 18118 3710 1 8 . 1 1 54 54 ARG CA C 54 54.949 54.949 56.986 -2.037 18118 3711 1 8 . 1 1 54 54 ARG CB C 54 28.054 28.054 31.223 -3.169 18118 3712 1 8 . 1 1 54 54 ARG H H 54 8.570 8.570 8.361 0.209 18118 3713 1 8 . 1 1 55 55 ARG N N 55 121.856 121.856 116.300 5.556 18118 3714 1 8 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.492 -0.451 18118 3715 1 8 . 1 1 55 55 ARG CA C 55 53.172 53.172 54.803 -1.631 18118 3716 1 8 . 1 1 55 55 ARG CB C 55 29.692 29.692 32.947 -3.255 18118 3717 1 8 . 1 1 55 55 ARG H H 55 8.352 8.352 8.188 0.164 18118 3718 1 8 . 1 1 56 56 GLY N N 56 108.554 108.554 106.047 2.507 18118 3719 1 8 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.814 -1.353 18118 3720 1 8 . 1 1 56 56 GLY H H 56 8.683 8.683 8.445 0.238 18118 3721 1 8 . 1 1 57 57 ASP N N 57 117.136 117.136 117.319 -0.183 18118 3722 1 8 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.556 0.201 18118 3723 1 8 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.523 -3.279 18118 3724 1 8 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.333 -3.068 18118 3725 1 8 . 1 1 57 57 ASP H H 57 8.018 8.018 7.430 0.588 18118 3726 1 8 . 1 1 58 58 ALA N N 58 122.425 122.425 121.214 1.211 18118 3727 1 8 . 1 1 58 58 ALA HA H 58 5.105 5.105 5.174 -0.069 18118 3728 1 8 . 1 1 58 58 ALA CA C 58 48.358 48.358 49.889 -1.531 18118 3729 1 8 . 1 1 58 58 ALA CB C 58 19.444 19.444 23.081 -3.638 18118 3730 1 8 . 1 1 58 58 ALA H H 58 9.137 9.137 9.004 0.133 18118 3731 1 8 . 1 1 59 59 LEU N N 59 121.454 121.454 120.650 0.804 18118 3732 1 8 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.289 -0.042 18118 3733 1 8 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.456 -3.098 18118 3734 1 8 . 1 1 59 59 LEU CB C 59 42.166 42.166 45.642 -3.476 18118 3735 1 8 . 1 1 59 59 LEU H H 59 8.604 8.604 8.775 -0.171 18118 3736 1 8 . 1 1 60 60 ILE N N 60 123.974 123.974 123.470 0.504 18118 3737 1 8 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.867 -0.029 18118 3738 1 8 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.298 -0.915 18118 3739 1 8 . 1 1 60 60 ILE CB C 60 38.147 38.147 39.913 -1.766 18118 3740 1 8 . 1 1 60 60 ILE H H 60 9.081 9.081 9.166 -0.085 18118 3741 1 8 . 1 1 61 61 GLU N N 61 126.177 126.177 127.233 -1.056 18118 3742 1 8 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.590 -0.045 18118 3743 1 8 . 1 1 61 61 GLU CA C 61 52.464 52.464 55.492 -3.028 18118 3744 1 8 . 1 1 61 61 GLU CB C 61 29.517 29.517 30.236 -0.719 18118 3745 1 8 . 1 1 61 61 GLU H H 61 8.832 8.832 8.730 0.102 18118 3746 1 8 . 1 1 62 62 MET N N 62 121.191 121.191 125.655 -4.464 18118 3747 1 8 . 1 1 62 62 MET HA H 62 5.131 5.131 4.326 0.805 18118 3748 1 8 . 1 1 62 62 MET CA C 62 49.938 49.938 54.638 -4.700 18118 3749 1 8 . 1 1 62 62 MET CB C 62 30.874 30.874 33.861 -2.987 18118 3750 1 8 . 1 1 62 62 MET H H 62 8.854 8.854 8.899 -0.045 18118 3751 1 8 . 1 1 63 63 GLU N N 63 117.598 117.598 120.590 -2.992 18118 3752 1 8 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.197 -0.126 18118 3753 1 8 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.622 -1.467 18118 3754 1 8 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.427 -2.347 18118 3755 1 8 . 1 1 63 63 GLU H H 63 8.092 8.092 8.809 -0.717 18118 3756 1 8 . 1 1 64 64 SER N N 64 109.627 109.627 109.699 -0.072 18118 3757 1 8 . 1 1 64 64 SER HA H 64 4.113 4.113 3.838 0.275 18118 3758 1 8 . 1 1 64 64 SER CA C 64 54.607 54.607 56.969 -2.362 18118 3759 1 8 . 1 1 64 64 SER CB C 64 65.273 65.273 65.764 -0.491 18118 3760 1 8 . 1 1 64 64 SER H H 64 7.710 7.710 7.504 0.206 18118 3761 1 8 . 1 1 65 65 GLU N N 65 121.394 121.394 122.591 -1.197 18118 3762 1 8 . 1 1 65 65 GLU HA H 65 3.485 3.485 4.053 -0.568 18118 3763 1 8 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.355 -4.255 18118 3764 1 8 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.742 -3.460 18118 3765 1 8 . 1 1 65 65 GLU H H 65 8.364 8.364 8.673 -0.309 18118 3766 1 8 . 1 1 66 66 GLN N N 66 118.987 118.987 116.515 2.472 18118 3767 1 8 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.060 -0.158 18118 3768 1 8 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.055 -2.617 18118 3769 1 8 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.228 -2.834 18118 3770 1 8 . 1 1 66 66 GLN H H 66 7.979 7.979 8.558 -0.579 18118 3771 1 8 . 1 1 67 67 ASP N N 67 118.539 118.539 117.857 0.682 18118 3772 1 8 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.638 -0.304 18118 3773 1 8 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.654 -0.927 18118 3774 1 8 . 1 1 67 67 ASP CB C 67 41.607 41.607 41.051 0.556 18118 3775 1 8 . 1 1 67 67 ASP H H 67 7.325 7.325 7.845 -0.520 18118 3776 1 8 . 1 1 68 68 VAL N N 68 119.502 119.502 121.727 -2.225 18118 3777 1 8 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.656 -0.481 18118 3778 1 8 . 1 1 68 68 VAL CA C 68 64.830 64.830 66.548 -1.718 18118 3779 1 8 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.750 -2.916 18118 3780 1 8 . 1 1 68 68 VAL H H 68 7.165 7.165 7.152 0.013 18118 3781 1 8 . 1 1 69 69 GLN N N 69 115.899 115.899 117.545 -1.646 18118 3782 1 8 . 1 1 69 69 GLN HA H 69 3.734 3.734 4.087 -0.353 18118 3783 1 8 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.249 -1.845 18118 3784 1 8 . 1 1 69 69 GLN CB C 69 25.212 25.212 27.965 -2.753 18118 3785 1 8 . 1 1 69 69 GLN H H 69 7.718 7.718 8.327 -0.609 18118 3786 1 8 . 1 1 70 70 LYS N N 70 118.403 118.403 119.292 -0.889 18118 3787 1 8 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.102 -0.174 18118 3788 1 8 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.780 -2.843 18118 3789 1 8 . 1 1 70 70 LYS CB C 70 29.946 29.946 32.157 -2.211 18118 3790 1 8 . 1 1 70 70 LYS H H 70 7.767 7.767 7.550 0.217 18118 3791 1 8 . 1 1 71 71 ALA N N 71 124.650 124.650 122.178 2.472 18118 3792 1 8 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.333 -0.306 18118 3793 1 8 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.804 -2.061 18118 3794 1 8 . 1 1 71 71 ALA CB C 71 16.114 16.114 19.255 -3.141 18118 3795 1 8 . 1 1 71 71 ALA H H 71 8.160 8.160 7.706 0.454 18118 3796 1 8 . 1 1 72 72 LEU N N 72 116.557 116.557 119.530 -2.973 18118 3797 1 8 . 1 1 72 72 LEU HA H 72 3.794 3.794 4.061 -0.267 18118 3798 1 8 . 1 1 72 72 LEU CA C 72 54.664 54.664 57.724 -3.060 18118 3799 1 8 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.641 -2.808 18118 3800 1 8 . 1 1 72 72 LEU H H 72 8.055 8.055 8.551 -0.496 18118 3801 1 8 . 1 1 73 73 GLU N N 73 117.807 117.807 118.784 -0.977 18118 3802 1 8 . 1 1 73 73 GLU HA H 73 4.090 4.090 4.065 0.025 18118 3803 1 8 . 1 1 73 73 GLU CA C 73 55.462 55.462 58.932 -3.470 18118 3804 1 8 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.092 -2.286 18118 3805 1 8 . 1 1 73 73 GLU H H 73 7.369 7.369 7.884 -0.515 18118 3806 1 8 . 1 1 74 74 LYS N N 74 116.715 116.715 116.030 0.685 18118 3807 1 8 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.505 -0.313 18118 3808 1 8 . 1 1 74 74 LYS CA C 74 51.741 51.741 55.028 -3.287 18118 3809 1 8 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.671 -3.207 18118 3810 1 8 . 1 1 74 74 LYS H H 74 7.805 7.805 7.833 -0.028 18118 3811 1 8 . 1 1 75 75 HIS N N 75 117.177 117.177 119.885 -2.708 18118 3812 1 8 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.324 0.004 18118 3813 1 8 . 1 1 75 75 HIS CA C 75 55.811 55.811 59.381 -3.570 18118 3814 1 8 . 1 1 75 75 HIS CB C 75 29.583 29.583 30.313 -0.730 18118 3815 1 8 . 1 1 75 75 HIS H H 75 7.184 7.184 7.896 -0.712 18118 3816 1 8 . 1 1 76 76 ARG N N 76 121.753 121.753 116.725 5.028 18118 3817 1 8 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.259 0.047 18118 3818 1 8 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.106 0.613 18118 3819 1 8 . 1 1 76 76 ARG CB C 76 33.288 33.288 29.987 3.301 18118 3820 1 8 . 1 1 76 76 ARG H H 76 9.042 9.042 8.330 0.712 18118 3821 1 8 . 1 1 77 77 MET N N 77 117.206 117.206 118.110 -0.904 18118 3822 1 8 . 1 1 77 77 MET HA H 77 4.598 4.598 4.954 -0.356 18118 3823 1 8 . 1 1 77 77 MET CA C 77 52.590 52.590 54.485 -1.895 18118 3824 1 8 . 1 1 77 77 MET CB C 77 31.234 31.234 35.121 -3.887 18118 3825 1 8 . 1 1 77 77 MET H H 77 7.835 7.835 7.812 0.023 18118 3826 1 8 . 1 1 78 78 TYR N N 78 117.960 117.960 116.977 0.983 18118 3827 1 8 . 1 1 78 78 TYR HA H 78 4.602 4.602 5.205 -0.603 18118 3828 1 8 . 1 1 78 78 TYR CA C 78 56.028 56.028 56.135 -0.107 18118 3829 1 8 . 1 1 78 78 TYR CB C 78 37.334 37.334 41.901 -4.567 18118 3830 1 8 . 1 1 78 78 TYR H H 78 8.359 8.359 8.305 0.054 18118 3831 1 8 . 1 1 79 79 MET N N 79 124.673 124.673 121.396 3.277 18118 3832 1 8 . 1 1 79 79 MET HA H 79 4.325 4.325 4.603 -0.278 18118 3833 1 8 . 1 1 79 79 MET CA C 79 52.338 52.338 54.511 -2.172 18118 3834 1 8 . 1 1 79 79 MET CB C 79 31.907 31.907 36.851 -4.944 18118 3835 1 8 . 1 1 79 79 MET H H 79 8.642 8.642 8.625 0.017 18118 3836 1 8 . 1 1 80 80 GLY N N 80 115.191 115.191 113.407 1.784 18118 3837 1 8 . 1 1 80 80 GLY CA C 80 44.426 44.426 47.010 -2.583 18118 3838 1 8 . 1 1 80 80 GLY H H 80 8.709 8.709 8.595 0.114 18118 3839 1 8 . 1 1 81 81 GLN N N 81 121.981 121.981 121.128 0.853 18118 3840 1 8 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.417 -0.270 18118 3841 1 8 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.230 -1.673 18118 3842 1 8 . 1 1 81 81 GLN CB C 81 26.736 26.736 30.166 -3.430 18118 3843 1 8 . 1 1 81 81 GLN H H 81 8.598 8.598 7.908 0.690 18118 3844 1 8 . 1 1 82 82 ARG N N 82 118.652 118.652 118.978 -0.326 18118 3845 1 8 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.494 0.006 18118 3846 1 8 . 1 1 82 82 ARG CA C 82 51.593 51.593 54.419 -2.826 18118 3847 1 8 . 1 1 82 82 ARG CB C 82 29.507 29.507 34.110 -4.603 18118 3848 1 8 . 1 1 82 82 ARG H H 82 7.660 7.660 8.004 -0.344 18118 3849 1 8 . 1 1 84 84 VAL N N 84 125.216 125.216 119.193 6.023 18118 3850 1 8 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.589 -0.271 18118 3851 1 8 . 1 1 84 84 VAL CA C 84 58.647 58.647 60.681 -2.034 18118 3852 1 8 . 1 1 84 84 VAL CB C 84 31.015 31.015 33.244 -2.229 18118 3853 1 8 . 1 1 84 84 VAL H H 84 8.222 8.222 8.591 -0.368 18118 3854 1 8 . 1 1 86 86 VAL N N 86 120.000 120.000 127.011 -7.011 18118 3855 1 8 . 1 1 86 86 VAL HA H 86 4.807 4.807 4.607 0.200 18118 3856 1 8 . 1 1 86 86 VAL CA C 86 58.928 58.928 61.983 -3.054 18118 3857 1 8 . 1 1 86 86 VAL CB C 86 33.201 33.201 31.954 1.247 18118 3858 1 8 . 1 1 87 87 TYR N N 87 120.377 120.377 130.656 -10.279 18118 3859 1 8 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.686 -0.062 18118 3860 1 8 . 1 1 87 87 TYR CA C 87 53.444 53.444 57.426 -3.982 18118 3861 1 8 . 1 1 87 87 TYR CB C 87 40.105 40.105 42.015 -1.910 18118 3862 1 8 . 1 1 87 87 TYR H H 87 8.731 8.731 8.589 0.142 18118 3863 1 8 . 1 1 88 88 GLU N N 88 122.304 122.304 124.118 -1.814 18118 3864 1 8 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.332 0.018 18118 3865 1 8 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.150 -2.510 18118 3866 1 8 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.690 -2.260 18118 3867 1 8 . 1 1 88 88 GLU H H 88 8.873 8.873 8.475 0.398 18118 3868 1 8 . 1 1 89 89 ILE N N 89 125.082 125.082 120.005 5.077 18118 3869 1 8 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.399 -0.141 18118 3870 1 8 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.593 -3.761 18118 3871 1 8 . 1 1 89 89 ILE CB C 89 34.985 34.985 39.155 -4.170 18118 3872 1 8 . 1 1 89 89 ILE H H 89 7.983 7.983 8.094 -0.111 18118 3873 1 8 . 1 1 90 90 ASN N N 90 126.142 126.142 121.944 4.198 18118 3874 1 8 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.958 -0.367 18118 3875 1 8 . 1 1 90 90 ASN CA C 90 50.615 50.615 51.517 -0.902 18118 3876 1 8 . 1 1 90 90 ASN CB C 90 36.638 36.638 40.299 -3.661 18118 3877 1 8 . 1 1 90 90 ASN H H 90 8.890 8.890 8.433 0.457 18118 3878 1 8 . 1 1 91 91 ASN N N 91 121.333 121.333 119.837 1.496 18118 3879 1 8 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.354 -0.058 18118 3880 1 8 . 1 1 91 91 ASN CA C 91 53.950 53.950 55.827 -1.877 18118 3881 1 8 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.232 -1.927 18118 3882 1 8 . 1 1 91 91 ASN H H 91 8.867 8.867 8.832 0.035 18118 3883 1 8 . 1 1 92 92 GLU N N 92 117.848 117.848 118.877 -1.029 18118 3884 1 8 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.054 0.038 18118 3885 1 8 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.864 -3.313 18118 3886 1 8 . 1 1 92 92 GLU CB C 92 26.767 26.767 28.771 -2.004 18118 3887 1 8 . 1 1 92 92 GLU H H 92 8.869 8.869 8.696 0.173 18118 3888 1 8 . 1 1 93 93 ASP N N 93 118.819 118.819 117.141 1.678 18118 3889 1 8 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.877 -0.225 18118 3890 1 8 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.150 -2.013 18118 3891 1 8 . 1 1 93 93 ASP CB C 93 39.522 39.522 42.652 -3.130 18118 3892 1 8 . 1 1 93 93 ASP H H 93 7.965 7.965 7.768 0.197 18118 3893 1 8 . 1 1 94 94 VAL N N 94 120.480 120.480 121.383 -0.903 18118 3894 1 8 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.638 -0.364 18118 3895 1 8 . 1 1 94 94 VAL CA C 94 64.179 64.179 66.945 -2.767 18118 3896 1 8 . 1 1 94 94 VAL CB C 94 29.477 29.477 31.970 -2.493 18118 3897 1 8 . 1 1 94 94 VAL H H 94 7.406 7.406 7.684 -0.278 18118 3898 1 8 . 1 1 95 95 ASP N N 95 119.806 119.806 120.292 -0.486 18118 3899 1 8 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.242 -0.087 18118 3900 1 8 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.591 -2.375 18118 3901 1 8 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.194 -1.567 18118 3902 1 8 . 1 1 95 95 ASP H H 95 8.342 8.342 7.853 0.489 18118 3903 1 8 . 1 1 96 96 ALA N N 96 119.946 119.946 121.076 -1.130 18118 3904 1 8 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.225 -0.299 18118 3905 1 8 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.416 -2.276 18118 3906 1 8 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.544 -2.868 18118 3907 1 8 . 1 1 96 96 ALA H H 96 8.162 8.162 8.183 -0.021 18118 3908 1 8 . 1 1 97 97 LEU N N 97 119.391 119.391 120.658 -1.267 18118 3909 1 8 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.840 0.145 18118 3910 1 8 . 1 1 97 97 LEU CA C 97 54.831 54.831 58.112 -3.281 18118 3911 1 8 . 1 1 97 97 LEU CB C 97 39.438 39.438 42.093 -2.655 18118 3912 1 8 . 1 1 97 97 LEU H H 97 7.679 7.679 8.057 -0.378 18118 3913 1 8 . 1 1 98 98 MET N N 98 118.055 118.055 116.036 2.019 18118 3914 1 8 . 1 1 98 98 MET HA H 98 4.128 4.128 4.030 0.098 18118 3915 1 8 . 1 1 98 98 MET CA C 98 54.606 54.606 58.196 -3.590 18118 3916 1 8 . 1 1 98 98 MET CB C 98 27.902 27.902 31.716 -3.814 18118 3917 1 8 . 1 1 98 98 MET H H 98 8.504 8.504 8.178 0.326 18118 3918 1 8 . 1 1 99 99 LYS N N 99 119.351 119.351 119.272 0.079 18118 3919 1 8 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.101 -0.130 18118 3920 1 8 . 1 1 99 99 LYS CA C 99 56.301 56.301 58.866 -2.565 18118 3921 1 8 . 1 1 99 99 LYS CB C 99 29.692 29.692 31.822 -2.130 18118 3922 1 8 . 1 1 99 99 LYS H H 99 7.986 7.986 8.415 -0.429 18118 3923 1 8 . 1 1 100 100 SER N N 100 114.964 114.964 114.743 0.221 18118 3924 1 8 . 1 1 100 100 SER HA H 100 4.268 4.268 4.325 -0.057 18118 3925 1 8 . 1 1 100 100 SER CA C 100 57.764 57.764 60.808 -3.044 18118 3926 1 8 . 1 1 100 100 SER CB C 100 60.753 60.753 63.129 -2.376 18118 3927 1 8 . 1 1 100 100 SER H H 100 7.711 7.711 7.842 -0.131 18118 3928 1 8 . 1 1 101 101 LEU N N 101 120.679 120.679 118.581 2.098 18118 3929 1 8 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.562 -0.402 18118 3930 1 8 . 1 1 101 101 LEU CA C 101 52.893 52.893 54.060 -1.167 18118 3931 1 8 . 1 1 101 101 LEU CB C 101 39.541 39.541 42.224 -2.683 18118 3932 1 8 . 1 1 101 101 LEU H H 101 7.405 7.405 7.309 0.096 18118 3933 1 8 . 1 1 102 102 GLN N N 102 117.646 117.646 120.394 -2.748 18118 3934 1 8 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.309 -0.114 18118 3935 1 8 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.947 -2.587 18118 3936 1 8 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.199 -0.719 18118 3937 1 8 . 1 1 102 102 GLN H H 102 7.588 7.588 7.830 -0.242 18118 3938 1 8 . 1 1 103 103 VAL N N 103 120.269 120.269 121.208 -0.939 18118 3939 1 8 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.274 -0.259 18118 3940 1 8 . 1 1 103 103 VAL CA C 103 59.755 59.755 61.912 -2.157 18118 3941 1 8 . 1 1 103 103 VAL CB C 103 30.579 30.579 32.310 -1.731 18118 3942 1 8 . 1 1 103 103 VAL H H 103 7.839 7.839 7.803 0.036 18118 3943 1 8 . 1 1 104 104 LYS N N 104 125.201 125.201 126.160 -0.959 18118 3944 1 8 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.457 -0.114 18118 3945 1 8 . 1 1 104 104 LYS CA C 104 53.348 53.348 55.550 -2.202 18118 3946 1 8 . 1 1 104 104 LYS CB C 104 30.634 30.634 32.998 -2.364 18118 3947 1 8 . 1 1 104 104 LYS H H 104 8.364 8.364 8.027 0.337 18118 3948 1 8 . 1 1 105 105 SER N N 105 117.664 117.664 116.264 1.400 18118 3949 1 8 . 1 1 105 105 SER HA H 105 4.401 4.401 4.505 -0.104 18118 3950 1 8 . 1 1 105 105 SER CA C 105 55.611 55.611 59.315 -3.704 18118 3951 1 8 . 1 1 105 105 SER CB C 105 61.286 61.286 63.717 -2.430 18118 3952 1 8 . 1 1 105 105 SER H H 105 8.354 8.354 8.472 -0.118 18118 3953 1 9 . 1 1 2 2 SER N N 2 118.867 118.867 115.688 3.179 18118 3954 1 9 . 1 1 2 2 SER HA H 2 4.707 4.707 4.633 0.074 18118 3955 1 9 . 1 1 2 2 SER CA C 2 55.678 55.678 58.117 -2.439 18118 3956 1 9 . 1 1 2 2 SER CB C 2 61.009 61.009 65.262 -4.253 18118 3957 1 9 . 1 1 2 2 SER H H 2 8.195 8.195 8.267 -0.072 18118 3958 1 9 . 1 1 3 3 LYS N N 3 123.188 123.188 122.145 1.043 18118 3959 1 9 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.211 -2.502 18118 3960 1 9 . 1 1 3 3 LYS CB C 3 30.374 30.374 33.557 -3.183 18118 3961 1 9 . 1 1 3 3 LYS H H 3 8.427 8.427 8.639 -0.212 18118 3962 1 9 . 1 1 4 4 LEU N N 4 123.342 123.342 121.166 2.176 18118 3963 1 9 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.317 -0.114 18118 3964 1 9 . 1 1 4 4 LEU CA C 4 52.990 52.990 55.455 -2.465 18118 3965 1 9 . 1 1 4 4 LEU CB C 4 39.667 39.667 42.285 -2.618 18118 3966 1 9 . 1 1 4 4 LEU H H 4 8.311 8.311 7.729 0.582 18118 3967 1 9 . 1 1 5 5 GLU N N 5 120.431 120.431 119.962 0.469 18118 3968 1 9 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.429 -0.272 18118 3969 1 9 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.357 -2.127 18118 3970 1 9 . 1 1 5 5 GLU CB C 5 27.847 27.847 30.253 -2.406 18118 3971 1 9 . 1 1 5 5 GLU H H 5 8.321 8.321 8.876 -0.555 18118 3972 1 9 . 1 1 6 6 GLU N N 6 120.027 120.027 119.277 0.750 18118 3973 1 9 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.497 -0.306 18118 3974 1 9 . 1 1 6 6 GLU CA C 6 53.842 53.842 56.094 -2.252 18118 3975 1 9 . 1 1 6 6 GLU CB C 6 27.723 27.723 32.379 -4.656 18118 3976 1 9 . 1 1 6 6 GLU H H 6 8.177 8.177 7.733 0.444 18118 3977 1 9 . 1 1 7 7 GLU N N 7 121.663 121.663 120.758 0.905 18118 3978 1 9 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.405 -0.214 18118 3979 1 9 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.264 -2.586 18118 3980 1 9 . 1 1 7 7 GLU CB C 7 27.548 27.548 30.048 -2.500 18118 3981 1 9 . 1 1 7 7 GLU H H 7 8.228 8.228 8.734 -0.506 18118 3982 1 9 . 1 1 8 8 VAL N N 8 120.733 120.733 119.554 1.179 18118 3983 1 9 . 1 1 8 8 VAL HA H 8 4.086 4.086 3.889 0.197 18118 3984 1 9 . 1 1 8 8 VAL CA C 8 59.139 59.139 62.860 -3.721 18118 3985 1 9 . 1 1 8 8 VAL CB C 8 30.700 30.700 32.397 -1.697 18118 3986 1 9 . 1 1 8 8 VAL H H 8 8.102 8.102 7.737 0.365 18118 3987 1 9 . 1 1 9 9 ASP N N 9 124.190 124.190 121.198 2.992 18118 3988 1 9 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.885 -0.328 18118 3989 1 9 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.076 -2.896 18118 3990 1 9 . 1 1 9 9 ASP CB C 9 38.781 38.781 41.456 -2.675 18118 3991 1 9 . 1 1 9 9 ASP H H 9 8.313 8.313 8.409 -0.096 18118 3992 1 9 . 1 1 10 10 ASP N N 10 120.966 120.966 119.961 1.005 18118 3993 1 9 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.943 -0.564 18118 3994 1 9 . 1 1 10 10 ASP CA C 10 51.555 51.555 53.770 -2.215 18118 3995 1 9 . 1 1 10 10 ASP CB C 10 39.138 39.138 41.596 -2.458 18118 3996 1 9 . 1 1 10 10 ASP H H 10 8.106 8.106 8.133 -0.027 18118 3997 1 9 . 1 1 11 11 VAL N N 11 119.321 119.321 120.375 -1.054 18118 3998 1 9 . 1 1 11 11 VAL HA H 11 3.919 3.919 3.930 -0.011 18118 3999 1 9 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.113 -2.392 18118 4000 1 9 . 1 1 11 11 VAL CB C 11 31.300 31.300 32.572 -1.272 18118 4001 1 9 . 1 1 11 11 VAL H H 11 7.528 7.528 7.567 -0.039 18118 4002 1 9 . 1 1 12 12 PHE N N 12 125.723 125.723 123.801 1.922 18118 4003 1 9 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.906 -0.320 18118 4004 1 9 . 1 1 12 12 PHE CA C 12 53.764 53.764 56.014 -2.251 18118 4005 1 9 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.806 -1.108 18118 4006 1 9 . 1 1 12 12 PHE H H 12 8.573 8.573 7.571 1.002 18118 4007 1 9 . 1 1 13 13 LEU N N 13 123.923 123.923 122.055 1.868 18118 4008 1 9 . 1 1 13 13 LEU HA H 13 5.232 5.232 4.857 0.375 18118 4009 1 9 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.529 -2.168 18118 4010 1 9 . 1 1 13 13 LEU CB C 13 44.651 44.651 46.917 -2.266 18118 4011 1 9 . 1 1 13 13 LEU H H 13 8.794 8.794 8.037 0.757 18118 4012 1 9 . 1 1 14 14 ILE N N 14 114.563 114.563 114.279 0.284 18118 4013 1 9 . 1 1 14 14 ILE HA H 14 4.891 4.891 5.115 -0.224 18118 4014 1 9 . 1 1 14 14 ILE CA C 14 55.381 55.381 59.239 -3.858 18118 4015 1 9 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.746 -3.428 18118 4016 1 9 . 1 1 14 14 ILE H H 14 8.316 8.316 8.150 0.166 18118 4017 1 9 . 1 1 15 15 ARG N N 15 122.555 122.555 122.573 -0.018 18118 4018 1 9 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.533 -0.199 18118 4019 1 9 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.092 -2.799 18118 4020 1 9 . 1 1 15 15 ARG CB C 15 31.850 31.850 33.789 -1.939 18118 4021 1 9 . 1 1 15 15 ARG H H 15 9.231 9.231 8.999 0.232 18118 4022 1 9 . 1 1 16 16 ALA N N 16 127.755 127.755 129.307 -1.552 18118 4023 1 9 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.449 0.247 18118 4024 1 9 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.035 -3.260 18118 4025 1 9 . 1 1 16 16 ALA CB C 16 18.337 18.337 22.171 -3.834 18118 4026 1 9 . 1 1 16 16 ALA H H 16 9.005 9.005 8.982 0.024 18118 4027 1 9 . 1 1 17 17 GLN N N 17 121.076 121.076 118.360 2.716 18118 4028 1 9 . 1 1 17 17 GLN HA H 17 5.135 5.135 5.206 -0.071 18118 4029 1 9 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.351 -2.519 18118 4030 1 9 . 1 1 17 17 GLN CB C 17 30.738 30.738 33.222 -2.484 18118 4031 1 9 . 1 1 17 17 GLN H H 17 9.557 9.557 8.246 1.311 18118 4032 1 9 . 1 1 18 18 GLY N N 18 110.950 110.950 106.408 4.542 18118 4033 1 9 . 1 1 18 18 GLY CA C 18 42.822 42.822 44.977 -2.155 18118 4034 1 9 . 1 1 18 18 GLY H H 18 8.294 8.294 9.033 -0.739 18118 4035 1 9 . 1 1 19 19 LEU N N 19 118.809 118.809 123.436 -4.627 18118 4036 1 9 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.203 -0.171 18118 4037 1 9 . 1 1 19 19 LEU CA C 19 50.705 50.705 54.493 -3.788 18118 4038 1 9 . 1 1 19 19 LEU CB C 19 37.568 37.568 40.747 -3.179 18118 4039 1 9 . 1 1 19 19 LEU H H 19 8.292 8.292 7.734 0.558 18118 4040 1 9 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.389 -0.097 18118 4041 1 9 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.367 -2.266 18118 4042 1 9 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.649 -3.450 18118 4043 1 9 . 1 1 21 21 TRP N N 21 124.383 124.383 121.465 2.918 18118 4044 1 9 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.368 0.322 18118 4045 1 9 . 1 1 21 21 TRP CA C 21 56.237 56.237 60.267 -4.030 18118 4046 1 9 . 1 1 21 21 TRP CB C 21 25.965 25.965 29.322 -3.357 18118 4047 1 9 . 1 1 21 21 TRP H H 21 8.527 8.527 8.523 0.004 18118 4048 1 9 . 1 1 22 22 SER N N 22 109.532 109.532 114.769 -5.237 18118 4049 1 9 . 1 1 22 22 SER HA H 22 4.099 4.099 4.375 -0.276 18118 4050 1 9 . 1 1 22 22 SER CA C 22 54.162 54.162 58.820 -4.658 18118 4051 1 9 . 1 1 22 22 SER CB C 22 60.334 60.334 61.435 -1.101 18118 4052 1 9 . 1 1 22 22 SER H H 22 7.436 7.436 8.332 -0.896 18118 4053 1 9 . 1 1 23 23 CYS N N 23 119.744 119.744 120.772 -1.028 18118 4054 1 9 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.339 0.127 18118 4055 1 9 . 1 1 23 23 CYS CA C 23 55.975 55.975 60.468 -4.494 18118 4056 1 9 . 1 1 23 23 CYS CB C 23 25.489 25.489 27.187 -1.698 18118 4057 1 9 . 1 1 23 23 CYS H H 23 7.221 7.221 7.458 -0.237 18118 4058 1 9 . 1 1 24 24 THR N N 24 115.371 115.371 121.535 -6.164 18118 4059 1 9 . 1 1 24 24 THR HA H 24 4.697 4.697 4.364 0.333 18118 4060 1 9 . 1 1 24 24 THR CA C 24 57.172 57.172 61.053 -3.881 18118 4061 1 9 . 1 1 24 24 THR CB C 24 56.222 56.222 70.770 -14.548 18118 4062 1 9 . 1 1 24 24 THR H H 24 9.082 9.082 7.672 1.410 18118 4063 1 9 . 1 1 25 25 MET N N 25 118.539 118.539 122.092 -3.553 18118 4064 1 9 . 1 1 25 25 MET HA H 25 4.161 4.161 4.099 0.062 18118 4065 1 9 . 1 1 25 25 MET CA C 25 57.241 57.241 58.880 -1.639 18118 4066 1 9 . 1 1 25 25 MET CB C 25 29.452 29.452 32.378 -2.926 18118 4067 1 9 . 1 1 25 25 MET H H 25 8.794 8.794 8.697 0.097 18118 4068 1 9 . 1 1 26 26 GLU N N 26 118.967 118.967 119.208 -0.241 18118 4069 1 9 . 1 1 26 26 GLU HA H 26 3.802 3.802 3.959 -0.157 18118 4070 1 9 . 1 1 26 26 GLU CA C 26 57.247 57.247 59.723 -2.476 18118 4071 1 9 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.595 -1.932 18118 4072 1 9 . 1 1 26 26 GLU H H 26 8.462 8.462 8.658 -0.196 18118 4073 1 9 . 1 1 27 27 ASP N N 27 118.711 118.711 118.124 0.587 18118 4074 1 9 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.434 -0.135 18118 4075 1 9 . 1 1 27 27 ASP CA C 27 55.071 55.071 56.398 -1.327 18118 4076 1 9 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.721 -2.065 18118 4077 1 9 . 1 1 27 27 ASP H H 27 7.812 7.812 7.781 0.031 18118 4078 1 9 . 1 1 28 28 VAL N N 28 120.825 120.825 117.549 3.276 18118 4079 1 9 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.701 -0.257 18118 4080 1 9 . 1 1 28 28 VAL CA C 28 64.841 64.841 64.903 -0.062 18118 4081 1 9 . 1 1 28 28 VAL CB C 28 29.052 29.052 32.308 -3.256 18118 4082 1 9 . 1 1 28 28 VAL H H 28 7.528 7.528 7.678 -0.150 18118 4083 1 9 . 1 1 29 29 LEU N N 29 120.586 120.586 120.754 -0.168 18118 4084 1 9 . 1 1 29 29 LEU HA H 29 3.778 3.778 3.988 -0.210 18118 4085 1 9 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.253 -2.271 18118 4086 1 9 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.638 -2.684 18118 4087 1 9 . 1 1 29 29 LEU H H 29 8.399 8.399 8.004 0.395 18118 4088 1 9 . 1 1 30 30 ASN N N 30 114.059 114.059 116.725 -2.666 18118 4089 1 9 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.461 -0.063 18118 4090 1 9 . 1 1 30 30 ASN CA C 30 52.480 52.480 55.893 -3.413 18118 4091 1 9 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.199 -2.067 18118 4092 1 9 . 1 1 30 30 ASN H H 30 8.156 8.156 7.966 0.190 18118 4093 1 9 . 1 1 31 31 PHE N N 31 123.816 123.816 119.870 3.946 18118 4094 1 9 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.110 0.017 18118 4095 1 9 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.198 -1.379 18118 4096 1 9 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.068 -1.892 18118 4097 1 9 . 1 1 31 31 PHE H H 31 8.033 8.033 7.832 0.201 18118 4098 1 9 . 1 1 32 32 PHE N N 32 115.681 115.681 112.926 2.755 18118 4099 1 9 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.704 -0.051 18118 4100 1 9 . 1 1 32 32 PHE CA C 32 54.039 54.039 54.823 -0.784 18118 4101 1 9 . 1 1 32 32 PHE CB C 32 35.047 35.047 37.802 -2.755 18118 4102 1 9 . 1 1 32 32 PHE H H 32 7.622 7.622 7.728 -0.106 18118 4103 1 9 . 1 1 33 33 SER N N 33 113.797 113.797 117.211 -3.414 18118 4104 1 9 . 1 1 33 33 SER HA H 33 4.111 4.111 4.267 -0.156 18118 4105 1 9 . 1 1 33 33 SER CA C 33 59.041 59.041 60.821 -1.780 18118 4106 1 9 . 1 1 33 33 SER CB C 33 60.339 60.339 63.210 -2.871 18118 4107 1 9 . 1 1 33 33 SER H H 33 6.834 6.834 7.712 -0.878 18118 4108 1 9 . 1 1 34 34 ASP N N 34 119.155 119.155 120.569 -1.414 18118 4109 1 9 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.769 -0.188 18118 4110 1 9 . 1 1 34 34 ASP CA C 34 51.606 51.606 53.604 -1.998 18118 4111 1 9 . 1 1 34 34 ASP CB C 34 37.727 37.727 41.026 -3.299 18118 4112 1 9 . 1 1 34 34 ASP H H 34 8.717 8.717 8.574 0.143 18118 4113 1 9 . 1 1 35 35 CYS N N 35 117.269 117.269 115.907 1.362 18118 4114 1 9 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.700 -0.192 18118 4115 1 9 . 1 1 35 35 CYS CA C 35 54.961 54.961 57.125 -2.164 18118 4116 1 9 . 1 1 35 35 CYS CB C 35 27.986 27.986 31.213 -3.227 18118 4117 1 9 . 1 1 35 35 CYS H H 35 8.009 8.009 7.852 0.157 18118 4118 1 9 . 1 1 36 36 ARG N N 36 123.980 123.980 122.060 1.920 18118 4119 1 9 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.638 -0.349 18118 4120 1 9 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.731 -2.003 18118 4121 1 9 . 1 1 36 36 ARG CB C 36 26.279 26.279 30.937 -4.658 18118 4122 1 9 . 1 1 36 36 ARG H H 36 8.666 8.666 8.602 0.064 18118 4123 1 9 . 1 1 37 37 ILE N N 37 128.014 128.014 126.005 2.009 18118 4124 1 9 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.132 0.079 18118 4125 1 9 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.144 -2.565 18118 4126 1 9 . 1 1 37 37 ILE CB C 37 36.026 36.026 38.986 -2.960 18118 4127 1 9 . 1 1 37 37 ILE H H 37 8.084 8.084 8.852 -0.768 18118 4128 1 9 . 1 1 38 38 ARG N N 38 133.264 133.264 127.101 6.163 18118 4129 1 9 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.312 -0.467 18118 4130 1 9 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.298 -2.531 18118 4131 1 9 . 1 1 38 38 ARG CB C 38 27.829 27.829 31.113 -3.284 18118 4132 1 9 . 1 1 38 38 ARG H H 38 8.662 8.662 8.812 -0.150 18118 4133 1 9 . 1 1 39 39 ASN N N 39 117.723 117.723 120.588 -2.865 18118 4134 1 9 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.304 -0.122 18118 4135 1 9 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.318 -2.616 18118 4136 1 9 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.429 -2.583 18118 4137 1 9 . 1 1 39 39 ASN H H 39 8.992 8.992 9.167 -0.175 18118 4138 1 9 . 1 1 40 40 GLY N N 40 108.314 108.314 108.369 -0.055 18118 4139 1 9 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.761 -2.478 18118 4140 1 9 . 1 1 40 40 GLY H H 40 7.949 7.949 7.998 -0.049 18118 4141 1 9 . 1 1 41 41 GLU N N 41 124.398 124.398 124.337 0.061 18118 4142 1 9 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.135 -0.323 18118 4143 1 9 . 1 1 41 41 GLU CA C 41 56.741 56.741 58.076 -1.335 18118 4144 1 9 . 1 1 41 41 GLU CB C 41 26.718 26.718 29.527 -2.809 18118 4145 1 9 . 1 1 41 41 GLU H H 41 9.235 9.235 8.331 0.904 18118 4146 1 9 . 1 1 42 42 ASN N N 42 113.155 113.155 119.110 -5.955 18118 4147 1 9 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.552 -0.045 18118 4148 1 9 . 1 1 42 42 ASN CA C 42 51.901 51.901 55.600 -3.699 18118 4149 1 9 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.750 -2.685 18118 4150 1 9 . 1 1 42 42 ASN H H 42 7.523 7.523 8.258 -0.735 18118 4151 1 9 . 1 1 43 43 GLY N N 43 109.898 109.898 107.158 2.740 18118 4152 1 9 . 1 1 43 43 GLY CA C 43 42.561 42.561 45.406 -2.845 18118 4153 1 9 . 1 1 43 43 GLY H H 43 8.131 8.131 7.540 0.591 18118 4154 1 9 . 1 1 44 44 ILE N N 44 119.116 119.116 122.793 -3.677 18118 4155 1 9 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.270 -0.493 18118 4156 1 9 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.328 -4.048 18118 4157 1 9 . 1 1 44 44 ILE CB C 44 36.145 36.145 37.143 -0.998 18118 4158 1 9 . 1 1 44 44 ILE H H 44 6.715 6.715 7.534 -0.819 18118 4159 1 9 . 1 1 45 45 HIS N N 45 124.064 124.064 128.616 -4.552 18118 4160 1 9 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.659 0.224 18118 4161 1 9 . 1 1 45 45 HIS CA C 45 49.681 49.681 56.032 -6.351 18118 4162 1 9 . 1 1 45 45 HIS CB C 45 25.934 25.934 31.738 -5.804 18118 4163 1 9 . 1 1 45 45 HIS H H 45 8.493 8.493 9.458 -0.965 18118 4164 1 9 . 1 1 46 46 PHE N N 46 123.886 123.886 119.393 4.493 18118 4165 1 9 . 1 1 46 46 PHE HA H 46 4.563 4.563 5.008 -0.445 18118 4166 1 9 . 1 1 46 46 PHE CA C 46 57.122 57.122 56.390 0.732 18118 4167 1 9 . 1 1 46 46 PHE CB C 46 36.299 36.299 39.798 -3.499 18118 4168 1 9 . 1 1 46 46 PHE H H 46 9.014 9.014 8.122 0.892 18118 4169 1 9 . 1 1 47 47 LEU N N 47 124.343 124.343 127.788 -3.445 18118 4170 1 9 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.488 0.016 18118 4171 1 9 . 1 1 47 47 LEU CA C 47 51.885 51.885 54.177 -2.292 18118 4172 1 9 . 1 1 47 47 LEU CB C 47 38.896 38.896 40.042 -1.146 18118 4173 1 9 . 1 1 47 47 LEU H H 47 8.066 8.066 8.870 -0.804 18118 4174 1 9 . 1 1 48 48 LEU N N 48 122.809 122.809 120.601 2.208 18118 4175 1 9 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.790 0.035 18118 4176 1 9 . 1 1 48 48 LEU CA C 48 50.930 50.930 51.946 -1.016 18118 4177 1 9 . 1 1 48 48 LEU CB C 48 41.655 41.655 43.770 -2.115 18118 4178 1 9 . 1 1 48 48 LEU H H 48 8.754 8.754 7.670 1.084 18118 4179 1 9 . 1 1 49 49 ASN N N 49 119.420 119.420 119.183 0.237 18118 4180 1 9 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.835 -0.044 18118 4181 1 9 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.719 -4.124 18118 4182 1 9 . 1 1 49 49 ASN CB C 49 36.735 36.735 40.330 -3.595 18118 4183 1 9 . 1 1 49 49 ASN H H 49 8.757 8.757 8.915 -0.158 18118 4184 1 9 . 1 1 50 50 ARG N N 50 119.367 119.367 116.444 2.923 18118 4185 1 9 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.139 -0.113 18118 4186 1 9 . 1 1 50 50 ARG CA C 50 55.918 55.918 57.606 -1.688 18118 4187 1 9 . 1 1 50 50 ARG CB C 50 27.194 27.194 28.306 -1.112 18118 4188 1 9 . 1 1 50 50 ARG H H 50 8.618 8.618 8.810 -0.192 18118 4189 1 9 . 1 1 51 51 ASP N N 51 116.650 116.650 118.676 -2.026 18118 4190 1 9 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.710 -0.125 18118 4191 1 9 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.615 -2.335 18118 4192 1 9 . 1 1 51 51 ASP CB C 51 38.544 38.544 43.130 -4.586 18118 4193 1 9 . 1 1 51 51 ASP H H 51 7.577 7.577 7.832 -0.255 18118 4194 1 9 . 1 1 52 52 GLY N N 52 107.719 107.719 108.762 -1.043 18118 4195 1 9 . 1 1 52 52 GLY CA C 52 43.341 43.341 46.221 -2.880 18118 4196 1 9 . 1 1 52 52 GLY H H 52 8.171 8.171 8.209 -0.038 18118 4197 1 9 . 1 1 53 53 LYS N N 53 119.174 119.174 119.057 0.117 18118 4198 1 9 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.769 -0.350 18118 4199 1 9 . 1 1 53 53 LYS CA C 53 51.788 51.788 53.407 -1.619 18118 4200 1 9 . 1 1 53 53 LYS CB C 53 30.976 30.976 34.227 -3.251 18118 4201 1 9 . 1 1 53 53 LYS H H 53 7.750 7.750 7.100 0.650 18118 4202 1 9 . 1 1 54 54 ARG N N 54 121.126 121.126 118.555 2.571 18118 4203 1 9 . 1 1 54 54 ARG HA H 54 4.169 4.169 3.969 0.200 18118 4204 1 9 . 1 1 54 54 ARG CA C 54 54.949 54.949 58.282 -3.333 18118 4205 1 9 . 1 1 54 54 ARG CB C 54 28.054 28.054 29.245 -1.191 18118 4206 1 9 . 1 1 54 54 ARG H H 54 8.570 8.570 8.834 -0.264 18118 4207 1 9 . 1 1 55 55 ARG N N 55 121.856 121.856 115.537 6.319 18118 4208 1 9 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.532 -0.491 18118 4209 1 9 . 1 1 55 55 ARG CA C 55 53.172 53.172 55.672 -2.500 18118 4210 1 9 . 1 1 55 55 ARG CB C 55 29.692 29.692 33.335 -3.643 18118 4211 1 9 . 1 1 55 55 ARG H H 55 8.352 8.352 7.859 0.493 18118 4212 1 9 . 1 1 56 56 GLY N N 56 108.554 108.554 106.173 2.381 18118 4213 1 9 . 1 1 56 56 GLY CA C 56 43.461 43.461 45.549 -2.088 18118 4214 1 9 . 1 1 56 56 GLY H H 56 8.683 8.683 8.591 0.092 18118 4215 1 9 . 1 1 57 57 ASP N N 57 117.136 117.136 117.632 -0.496 18118 4216 1 9 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.454 0.303 18118 4217 1 9 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.608 -3.364 18118 4218 1 9 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.303 -3.038 18118 4219 1 9 . 1 1 57 57 ASP H H 57 8.018 8.018 7.499 0.519 18118 4220 1 9 . 1 1 58 58 ALA N N 58 122.425 122.425 122.002 0.423 18118 4221 1 9 . 1 1 58 58 ALA HA H 58 5.105 5.105 5.172 -0.067 18118 4222 1 9 . 1 1 58 58 ALA CA C 58 48.358 48.358 50.008 -1.649 18118 4223 1 9 . 1 1 58 58 ALA CB C 58 19.444 19.444 23.199 -3.755 18118 4224 1 9 . 1 1 58 58 ALA H H 58 9.137 9.137 8.852 0.285 18118 4225 1 9 . 1 1 59 59 LEU N N 59 121.454 121.454 122.418 -0.964 18118 4226 1 9 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.304 -0.057 18118 4227 1 9 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.404 -3.046 18118 4228 1 9 . 1 1 59 59 LEU CB C 59 42.166 42.166 44.890 -2.724 18118 4229 1 9 . 1 1 59 59 LEU H H 59 8.604 8.604 8.670 -0.066 18118 4230 1 9 . 1 1 60 60 ILE N N 60 123.974 123.974 125.835 -1.861 18118 4231 1 9 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.821 0.017 18118 4232 1 9 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.079 -0.695 18118 4233 1 9 . 1 1 60 60 ILE CB C 60 38.147 38.147 37.997 0.150 18118 4234 1 9 . 1 1 60 60 ILE H H 60 9.081 9.081 9.033 0.048 18118 4235 1 9 . 1 1 61 61 GLU N N 61 126.177 126.177 129.147 -2.970 18118 4236 1 9 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.398 0.147 18118 4237 1 9 . 1 1 61 61 GLU CA C 61 52.464 52.464 55.662 -3.198 18118 4238 1 9 . 1 1 61 61 GLU CB C 61 29.517 29.517 29.172 0.345 18118 4239 1 9 . 1 1 61 61 GLU H H 61 8.832 8.832 8.826 0.006 18118 4240 1 9 . 1 1 62 62 MET N N 62 121.191 121.191 125.612 -4.421 18118 4241 1 9 . 1 1 62 62 MET HA H 62 5.131 5.131 4.325 0.806 18118 4242 1 9 . 1 1 62 62 MET CA C 62 49.938 49.938 55.824 -5.886 18118 4243 1 9 . 1 1 62 62 MET CB C 62 30.874 30.874 33.448 -2.574 18118 4244 1 9 . 1 1 62 62 MET H H 62 8.854 8.854 8.024 0.830 18118 4245 1 9 . 1 1 63 63 GLU N N 63 117.598 117.598 123.431 -5.833 18118 4246 1 9 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.407 -0.336 18118 4247 1 9 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.201 -1.046 18118 4248 1 9 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.636 -2.556 18118 4249 1 9 . 1 1 63 63 GLU H H 63 8.092 8.092 8.520 -0.428 18118 4250 1 9 . 1 1 64 64 SER N N 64 109.627 109.627 114.418 -4.791 18118 4251 1 9 . 1 1 64 64 SER HA H 64 4.113 4.113 4.417 -0.304 18118 4252 1 9 . 1 1 64 64 SER CA C 64 54.607 54.607 56.572 -1.965 18118 4253 1 9 . 1 1 64 64 SER CB C 64 65.273 65.273 64.705 0.568 18118 4254 1 9 . 1 1 64 64 SER H H 64 7.710 7.710 8.555 -0.845 18118 4255 1 9 . 1 1 65 65 GLU N N 65 121.394 121.394 121.542 -0.148 18118 4256 1 9 . 1 1 65 65 GLU HA H 65 3.485 3.485 3.833 -0.348 18118 4257 1 9 . 1 1 65 65 GLU CA C 65 56.100 56.100 59.564 -3.464 18118 4258 1 9 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.145 -2.863 18118 4259 1 9 . 1 1 65 65 GLU H H 65 8.364 8.364 8.329 0.035 18118 4260 1 9 . 1 1 66 66 GLN N N 66 118.987 118.987 118.269 0.718 18118 4261 1 9 . 1 1 66 66 GLN HA H 66 3.902 3.902 3.988 -0.086 18118 4262 1 9 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.014 -2.576 18118 4263 1 9 . 1 1 66 66 GLN CB C 66 25.394 25.394 27.985 -2.591 18118 4264 1 9 . 1 1 66 66 GLN H H 66 7.979 7.979 8.554 -0.575 18118 4265 1 9 . 1 1 67 67 ASP N N 67 118.539 118.539 118.374 0.165 18118 4266 1 9 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.418 -0.084 18118 4267 1 9 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.807 -1.080 18118 4268 1 9 . 1 1 67 67 ASP CB C 67 41.607 41.607 40.477 1.130 18118 4269 1 9 . 1 1 67 67 ASP H H 67 7.325 7.325 7.691 -0.366 18118 4270 1 9 . 1 1 68 68 VAL N N 68 119.502 119.502 120.605 -1.103 18118 4271 1 9 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.540 -0.365 18118 4272 1 9 . 1 1 68 68 VAL CA C 68 64.830 64.830 65.983 -1.153 18118 4273 1 9 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.703 -2.869 18118 4274 1 9 . 1 1 68 68 VAL H H 68 7.165 7.165 7.038 0.127 18118 4275 1 9 . 1 1 69 69 GLN N N 69 115.899 115.899 117.756 -1.857 18118 4276 1 9 . 1 1 69 69 GLN HA H 69 3.734 3.734 4.000 -0.266 18118 4277 1 9 . 1 1 69 69 GLN CA C 69 56.404 56.404 57.965 -1.560 18118 4278 1 9 . 1 1 69 69 GLN CB C 69 25.212 25.212 27.876 -2.664 18118 4279 1 9 . 1 1 69 69 GLN H H 69 7.718 7.718 7.745 -0.028 18118 4280 1 9 . 1 1 70 70 LYS N N 70 118.403 118.403 119.009 -0.606 18118 4281 1 9 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.068 -0.140 18118 4282 1 9 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.397 -2.460 18118 4283 1 9 . 1 1 70 70 LYS CB C 70 29.946 29.946 31.537 -1.591 18118 4284 1 9 . 1 1 70 70 LYS H H 70 7.767 7.767 7.564 0.203 18118 4285 1 9 . 1 1 71 71 ALA N N 71 124.650 124.650 123.021 1.629 18118 4286 1 9 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.105 -0.078 18118 4287 1 9 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.560 -1.817 18118 4288 1 9 . 1 1 71 71 ALA CB C 71 16.114 16.114 17.753 -1.639 18118 4289 1 9 . 1 1 71 71 ALA H H 71 8.160 8.160 7.448 0.712 18118 4290 1 9 . 1 1 72 72 LEU N N 72 116.557 116.557 116.781 -0.224 18118 4291 1 9 . 1 1 72 72 LEU HA H 72 3.794 3.794 3.997 -0.203 18118 4292 1 9 . 1 1 72 72 LEU CA C 72 54.664 54.664 56.820 -2.156 18118 4293 1 9 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.192 -2.359 18118 4294 1 9 . 1 1 72 72 LEU H H 72 8.055 8.055 7.914 0.141 18118 4295 1 9 . 1 1 73 73 GLU N N 73 117.807 117.807 119.911 -2.104 18118 4296 1 9 . 1 1 73 73 GLU HA H 73 4.090 4.090 4.038 0.052 18118 4297 1 9 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.142 -3.680 18118 4298 1 9 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.089 -2.283 18118 4299 1 9 . 1 1 73 73 GLU H H 73 7.369 7.369 7.767 -0.398 18118 4300 1 9 . 1 1 74 74 LYS N N 74 116.715 116.715 117.223 -0.508 18118 4301 1 9 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.246 -0.054 18118 4302 1 9 . 1 1 74 74 LYS CA C 74 51.741 51.741 56.621 -4.880 18118 4303 1 9 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.436 -2.972 18118 4304 1 9 . 1 1 74 74 LYS H H 74 7.805 7.805 7.730 0.075 18118 4305 1 9 . 1 1 75 75 HIS N N 75 117.177 117.177 116.627 0.550 18118 4306 1 9 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.526 -0.198 18118 4307 1 9 . 1 1 75 75 HIS CA C 75 55.811 55.811 58.511 -2.700 18118 4308 1 9 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.263 0.320 18118 4309 1 9 . 1 1 75 75 HIS H H 75 7.184 7.184 8.226 -1.042 18118 4310 1 9 . 1 1 76 76 ARG N N 76 121.753 121.753 117.861 3.892 18118 4311 1 9 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.470 -0.164 18118 4312 1 9 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.232 0.487 18118 4313 1 9 . 1 1 76 76 ARG CB C 76 33.288 33.288 30.404 2.884 18118 4314 1 9 . 1 1 76 76 ARG H H 76 9.042 9.042 8.023 1.019 18118 4315 1 9 . 1 1 77 77 MET N N 77 117.206 117.206 119.562 -2.356 18118 4316 1 9 . 1 1 77 77 MET HA H 77 4.598 4.598 4.825 -0.227 18118 4317 1 9 . 1 1 77 77 MET CA C 77 52.590 52.590 55.375 -2.785 18118 4318 1 9 . 1 1 77 77 MET CB C 77 31.234 31.234 33.668 -2.434 18118 4319 1 9 . 1 1 77 77 MET H H 77 7.835 7.835 8.136 -0.301 18118 4320 1 9 . 1 1 78 78 TYR N N 78 117.960 117.960 115.917 2.043 18118 4321 1 9 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.868 -0.266 18118 4322 1 9 . 1 1 78 78 TYR CA C 78 56.028 56.028 56.025 0.003 18118 4323 1 9 . 1 1 78 78 TYR CB C 78 37.334 37.334 40.290 -2.956 18118 4324 1 9 . 1 1 78 78 TYR H H 78 8.359 8.359 8.221 0.138 18118 4325 1 9 . 1 1 79 79 MET N N 79 124.673 124.673 120.239 4.434 18118 4326 1 9 . 1 1 79 79 MET HA H 79 4.325 4.325 4.551 -0.227 18118 4327 1 9 . 1 1 79 79 MET CA C 79 52.338 52.338 54.756 -2.418 18118 4328 1 9 . 1 1 79 79 MET CB C 79 31.907 31.907 35.264 -3.357 18118 4329 1 9 . 1 1 79 79 MET H H 79 8.642 8.642 8.493 0.149 18118 4330 1 9 . 1 1 80 80 GLY N N 80 115.191 115.191 107.437 7.754 18118 4331 1 9 . 1 1 80 80 GLY CA C 80 44.426 44.426 47.052 -2.626 18118 4332 1 9 . 1 1 80 80 GLY H H 80 8.709 8.709 8.619 0.090 18118 4333 1 9 . 1 1 81 81 GLN N N 81 121.981 121.981 114.246 7.735 18118 4334 1 9 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.404 -0.257 18118 4335 1 9 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.295 -1.738 18118 4336 1 9 . 1 1 81 81 GLN CB C 81 26.736 26.736 29.940 -3.204 18118 4337 1 9 . 1 1 81 81 GLN H H 81 8.598 8.598 7.753 0.845 18118 4338 1 9 . 1 1 82 82 ARG N N 82 118.652 118.652 119.960 -1.308 18118 4339 1 9 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.755 -0.255 18118 4340 1 9 . 1 1 82 82 ARG CA C 82 51.593 51.593 55.524 -3.931 18118 4341 1 9 . 1 1 82 82 ARG CB C 82 29.507 29.507 33.329 -3.822 18118 4342 1 9 . 1 1 82 82 ARG H H 82 7.660 7.660 7.166 0.494 18118 4343 1 9 . 1 1 84 84 VAL N N 84 125.216 125.216 118.993 6.223 18118 4344 1 9 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.415 -0.097 18118 4345 1 9 . 1 1 84 84 VAL CA C 84 58.647 58.647 60.355 -1.708 18118 4346 1 9 . 1 1 84 84 VAL CB C 84 31.015 31.015 35.755 -4.740 18118 4347 1 9 . 1 1 84 84 VAL H H 84 8.222 8.222 8.503 -0.281 18118 4348 1 9 . 1 1 86 86 VAL N N 86 120.000 120.000 121.926 -1.926 18118 4349 1 9 . 1 1 86 86 VAL HA H 86 4.807 4.807 5.196 -0.389 18118 4350 1 9 . 1 1 86 86 VAL CA C 86 58.928 58.928 60.269 -1.341 18118 4351 1 9 . 1 1 86 86 VAL CB C 86 33.201 33.201 35.304 -2.103 18118 4352 1 9 . 1 1 87 87 TYR N N 87 120.377 120.377 126.672 -6.295 18118 4353 1 9 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.919 -0.295 18118 4354 1 9 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.903 -3.459 18118 4355 1 9 . 1 1 87 87 TYR CB C 87 40.105 40.105 43.479 -3.374 18118 4356 1 9 . 1 1 87 87 TYR H H 87 8.731 8.731 9.112 -0.381 18118 4357 1 9 . 1 1 88 88 GLU N N 88 122.304 122.304 123.615 -1.311 18118 4358 1 9 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.695 -0.345 18118 4359 1 9 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.130 -2.490 18118 4360 1 9 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.681 -2.251 18118 4361 1 9 . 1 1 88 88 GLU H H 88 8.873 8.873 8.882 -0.009 18118 4362 1 9 . 1 1 89 89 ILE N N 89 125.082 125.082 124.313 0.769 18118 4363 1 9 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.245 0.013 18118 4364 1 9 . 1 1 89 89 ILE CA C 89 55.831 55.831 60.242 -4.411 18118 4365 1 9 . 1 1 89 89 ILE CB C 89 34.985 34.985 38.089 -3.104 18118 4366 1 9 . 1 1 89 89 ILE H H 89 7.983 7.983 8.185 -0.202 18118 4367 1 9 . 1 1 90 90 ASN N N 90 126.142 126.142 121.302 4.840 18118 4368 1 9 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.916 -0.325 18118 4369 1 9 . 1 1 90 90 ASN CA C 90 50.615 50.615 52.376 -1.760 18118 4370 1 9 . 1 1 90 90 ASN CB C 90 36.638 36.638 41.412 -4.774 18118 4371 1 9 . 1 1 90 90 ASN H H 90 8.890 8.890 8.597 0.293 18118 4372 1 9 . 1 1 91 91 ASN N N 91 121.333 121.333 121.561 -0.228 18118 4373 1 9 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.300 -0.004 18118 4374 1 9 . 1 1 91 91 ASN CA C 91 53.950 53.950 55.725 -1.775 18118 4375 1 9 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.311 -2.006 18118 4376 1 9 . 1 1 91 91 ASN H H 91 8.867 8.867 8.861 0.006 18118 4377 1 9 . 1 1 92 92 GLU N N 92 117.848 117.848 116.537 1.311 18118 4378 1 9 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.136 -0.044 18118 4379 1 9 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.037 -2.486 18118 4380 1 9 . 1 1 92 92 GLU CB C 92 26.767 26.767 29.110 -2.343 18118 4381 1 9 . 1 1 92 92 GLU H H 92 8.869 8.869 8.484 0.385 18118 4382 1 9 . 1 1 93 93 ASP N N 93 118.819 118.819 119.324 -0.505 18118 4383 1 9 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.829 -0.177 18118 4384 1 9 . 1 1 93 93 ASP CA C 93 52.137 52.137 53.727 -1.590 18118 4385 1 9 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.869 -2.347 18118 4386 1 9 . 1 1 93 93 ASP H H 93 7.965 7.965 8.039 -0.074 18118 4387 1 9 . 1 1 94 94 VAL N N 94 120.480 120.480 119.793 0.687 18118 4388 1 9 . 1 1 94 94 VAL HA H 94 3.274 3.274 4.108 -0.834 18118 4389 1 9 . 1 1 94 94 VAL CA C 94 64.179 64.179 63.601 0.578 18118 4390 1 9 . 1 1 94 94 VAL CB C 94 29.477 29.477 33.677 -4.200 18118 4391 1 9 . 1 1 94 94 VAL H H 94 7.406 7.406 7.640 -0.234 18118 4392 1 9 . 1 1 95 95 ASP N N 95 119.806 119.806 121.491 -1.685 18118 4393 1 9 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.202 -0.047 18118 4394 1 9 . 1 1 95 95 ASP CA C 95 55.216 55.216 58.139 -2.924 18118 4395 1 9 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.803 -2.176 18118 4396 1 9 . 1 1 95 95 ASP H H 95 8.342 8.342 8.143 0.199 18118 4397 1 9 . 1 1 96 96 ALA N N 96 119.946 119.946 121.661 -1.715 18118 4398 1 9 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.111 -0.185 18118 4399 1 9 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.867 -2.727 18118 4400 1 9 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.119 -2.443 18118 4401 1 9 . 1 1 96 96 ALA H H 96 8.162 8.162 8.436 -0.274 18118 4402 1 9 . 1 1 97 97 LEU N N 97 119.391 119.391 119.290 0.101 18118 4403 1 9 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.954 0.031 18118 4404 1 9 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.457 -2.626 18118 4405 1 9 . 1 1 97 97 LEU CB C 97 39.438 39.438 42.010 -2.572 18118 4406 1 9 . 1 1 97 97 LEU H H 97 7.679 7.679 7.680 -0.001 18118 4407 1 9 . 1 1 98 98 MET N N 98 118.055 118.055 115.776 2.279 18118 4408 1 9 . 1 1 98 98 MET HA H 98 4.128 4.128 3.983 0.145 18118 4409 1 9 . 1 1 98 98 MET CA C 98 54.606 54.606 58.217 -3.611 18118 4410 1 9 . 1 1 98 98 MET CB C 98 27.902 27.902 31.971 -4.069 18118 4411 1 9 . 1 1 98 98 MET H H 98 8.504 8.504 8.402 0.102 18118 4412 1 9 . 1 1 99 99 LYS N N 99 119.351 119.351 116.163 3.188 18118 4413 1 9 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.212 -0.241 18118 4414 1 9 . 1 1 99 99 LYS CA C 99 56.301 56.301 57.450 -1.149 18118 4415 1 9 . 1 1 99 99 LYS CB C 99 29.692 29.692 32.322 -2.630 18118 4416 1 9 . 1 1 99 99 LYS H H 99 7.986 7.986 7.527 0.459 18118 4417 1 9 . 1 1 100 100 SER N N 100 114.964 114.964 114.165 0.799 18118 4418 1 9 . 1 1 100 100 SER HA H 100 4.268 4.268 4.370 -0.102 18118 4419 1 9 . 1 1 100 100 SER CA C 100 57.764 57.764 60.810 -3.046 18118 4420 1 9 . 1 1 100 100 SER CB C 100 60.753 60.753 63.906 -3.153 18118 4421 1 9 . 1 1 100 100 SER H H 100 7.711 7.711 7.778 -0.067 18118 4422 1 9 . 1 1 101 101 LEU N N 101 120.679 120.679 119.115 1.564 18118 4423 1 9 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.533 -0.373 18118 4424 1 9 . 1 1 101 101 LEU CA C 101 52.893 52.893 54.417 -1.524 18118 4425 1 9 . 1 1 101 101 LEU CB C 101 39.541 39.541 41.700 -2.159 18118 4426 1 9 . 1 1 101 101 LEU H H 101 7.405 7.405 7.645 -0.240 18118 4427 1 9 . 1 1 102 102 GLN N N 102 117.646 117.646 119.655 -2.009 18118 4428 1 9 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.251 -0.056 18118 4429 1 9 . 1 1 102 102 GLN CA C 102 53.360 53.360 56.075 -2.715 18118 4430 1 9 . 1 1 102 102 GLN CB C 102 26.480 26.480 26.408 0.072 18118 4431 1 9 . 1 1 102 102 GLN H H 102 7.588 7.588 8.363 -0.775 18118 4432 1 9 . 1 1 103 103 VAL N N 103 120.269 120.269 119.087 1.182 18118 4433 1 9 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.290 -0.275 18118 4434 1 9 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.380 -2.625 18118 4435 1 9 . 1 1 103 103 VAL CB C 103 30.579 30.579 31.561 -0.983 18118 4436 1 9 . 1 1 103 103 VAL H H 103 7.839 7.839 7.690 0.149 18118 4437 1 9 . 1 1 104 104 LYS N N 104 125.201 125.201 125.939 -0.738 18118 4438 1 9 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.537 -0.194 18118 4439 1 9 . 1 1 104 104 LYS CA C 104 53.348 53.348 56.156 -2.808 18118 4440 1 9 . 1 1 104 104 LYS CB C 104 30.634 30.634 34.201 -3.567 18118 4441 1 9 . 1 1 104 104 LYS H H 104 8.364 8.364 8.285 0.079 18118 4442 1 9 . 1 1 105 105 SER N N 105 117.664 117.664 120.369 -2.705 18118 4443 1 9 . 1 1 105 105 SER HA H 105 4.401 4.401 4.588 -0.187 18118 4444 1 9 . 1 1 105 105 SER CA C 105 55.611 55.611 58.442 -2.831 18118 4445 1 9 . 1 1 105 105 SER CB C 105 61.286 61.286 63.900 -2.614 18118 4446 1 9 . 1 1 105 105 SER H H 105 8.354 8.354 8.679 -0.325 18118 4447 1 10 . 1 1 2 2 SER N N 2 118.867 118.867 117.441 1.426 18118 4448 1 10 . 1 1 2 2 SER HA H 2 4.707 4.707 4.684 0.023 18118 4449 1 10 . 1 1 2 2 SER CA C 2 55.678 55.678 58.195 -2.517 18118 4450 1 10 . 1 1 2 2 SER CB C 2 61.009 61.009 63.939 -2.930 18118 4451 1 10 . 1 1 2 2 SER H H 2 8.195 8.195 8.404 -0.209 18118 4452 1 10 . 1 1 3 3 LYS N N 3 123.188 123.188 124.415 -1.227 18118 4453 1 10 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.270 -2.562 18118 4454 1 10 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.516 -2.142 18118 4455 1 10 . 1 1 3 3 LYS H H 3 8.427 8.427 8.335 0.092 18118 4456 1 10 . 1 1 4 4 LEU N N 4 123.342 123.342 122.409 0.933 18118 4457 1 10 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.435 -0.231 18118 4458 1 10 . 1 1 4 4 LEU CA C 4 52.990 52.990 55.410 -2.420 18118 4459 1 10 . 1 1 4 4 LEU CB C 4 39.667 39.667 42.705 -3.038 18118 4460 1 10 . 1 1 4 4 LEU H H 4 8.311 8.311 8.329 -0.018 18118 4461 1 10 . 1 1 5 5 GLU N N 5 120.431 120.431 119.180 1.251 18118 4462 1 10 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.518 -0.361 18118 4463 1 10 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.500 -2.270 18118 4464 1 10 . 1 1 5 5 GLU CB C 5 27.847 27.847 31.450 -3.603 18118 4465 1 10 . 1 1 5 5 GLU H H 5 8.321 8.321 8.686 -0.365 18118 4466 1 10 . 1 1 6 6 GLU N N 6 120.027 120.027 119.449 0.578 18118 4467 1 10 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.470 -0.279 18118 4468 1 10 . 1 1 6 6 GLU CA C 6 53.842 53.842 56.525 -2.683 18118 4469 1 10 . 1 1 6 6 GLU CB C 6 27.723 27.723 31.309 -3.586 18118 4470 1 10 . 1 1 6 6 GLU H H 6 8.177 8.177 7.856 0.321 18118 4471 1 10 . 1 1 7 7 GLU N N 7 121.663 121.663 121.164 0.499 18118 4472 1 10 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.432 -0.241 18118 4473 1 10 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.840 -3.161 18118 4474 1 10 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.248 -1.700 18118 4475 1 10 . 1 1 7 7 GLU H H 7 8.228 8.228 8.707 -0.479 18118 4476 1 10 . 1 1 8 8 VAL N N 8 120.733 120.733 116.151 4.582 18118 4477 1 10 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.533 -0.447 18118 4478 1 10 . 1 1 8 8 VAL CA C 8 59.139 59.139 60.233 -1.094 18118 4479 1 10 . 1 1 8 8 VAL CB C 8 30.700 30.700 33.689 -2.989 18118 4480 1 10 . 1 1 8 8 VAL H H 8 8.102 8.102 7.503 0.599 18118 4481 1 10 . 1 1 9 9 ASP N N 9 124.190 124.190 120.428 3.762 18118 4482 1 10 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.586 -0.029 18118 4483 1 10 . 1 1 9 9 ASP CA C 9 51.180 51.180 53.511 -2.331 18118 4484 1 10 . 1 1 9 9 ASP CB C 9 38.781 38.781 42.271 -3.490 18118 4485 1 10 . 1 1 9 9 ASP H H 9 8.313 8.313 8.122 0.191 18118 4486 1 10 . 1 1 10 10 ASP N N 10 120.966 120.966 120.641 0.325 18118 4487 1 10 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.362 0.017 18118 4488 1 10 . 1 1 10 10 ASP CA C 10 51.555 51.555 54.453 -2.898 18118 4489 1 10 . 1 1 10 10 ASP CB C 10 39.138 39.138 39.634 -0.496 18118 4490 1 10 . 1 1 10 10 ASP H H 10 8.106 8.106 8.405 -0.299 18118 4491 1 10 . 1 1 11 11 VAL N N 11 119.321 119.321 119.832 -0.511 18118 4492 1 10 . 1 1 11 11 VAL HA H 11 3.919 3.919 3.943 -0.024 18118 4493 1 10 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.068 -2.347 18118 4494 1 10 . 1 1 11 11 VAL CB C 11 31.300 31.300 32.923 -1.623 18118 4495 1 10 . 1 1 11 11 VAL H H 11 7.528 7.528 7.257 0.271 18118 4496 1 10 . 1 1 12 12 PHE N N 12 125.723 125.723 125.924 -0.201 18118 4497 1 10 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.780 -0.194 18118 4498 1 10 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.790 -2.026 18118 4499 1 10 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.439 -0.741 18118 4500 1 10 . 1 1 12 12 PHE H H 12 8.573 8.573 8.271 0.302 18118 4501 1 10 . 1 1 13 13 LEU N N 13 123.923 123.923 121.359 2.564 18118 4502 1 10 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.173 0.059 18118 4503 1 10 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.616 -2.255 18118 4504 1 10 . 1 1 13 13 LEU CB C 13 44.651 44.651 45.950 -1.299 18118 4505 1 10 . 1 1 13 13 LEU H H 13 8.794 8.794 7.731 1.063 18118 4506 1 10 . 1 1 14 14 ILE N N 14 114.563 114.563 116.120 -1.557 18118 4507 1 10 . 1 1 14 14 ILE HA H 14 4.891 4.891 5.093 -0.202 18118 4508 1 10 . 1 1 14 14 ILE CA C 14 55.381 55.381 58.867 -3.486 18118 4509 1 10 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.846 -3.528 18118 4510 1 10 . 1 1 14 14 ILE H H 14 8.316 8.316 8.780 -0.464 18118 4511 1 10 . 1 1 15 15 ARG N N 15 122.555 122.555 121.802 0.753 18118 4512 1 10 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.210 0.124 18118 4513 1 10 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.352 -3.059 18118 4514 1 10 . 1 1 15 15 ARG CB C 15 31.850 31.850 33.751 -1.901 18118 4515 1 10 . 1 1 15 15 ARG H H 15 9.231 9.231 9.048 0.183 18118 4516 1 10 . 1 1 16 16 ALA N N 16 127.755 127.755 130.554 -2.799 18118 4517 1 10 . 1 1 16 16 ALA HA H 16 5.696 5.696 4.910 0.786 18118 4518 1 10 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.788 -4.013 18118 4519 1 10 . 1 1 16 16 ALA CB C 16 18.337 18.337 20.223 -1.886 18118 4520 1 10 . 1 1 16 16 ALA H H 16 9.005 9.005 9.127 -0.122 18118 4521 1 10 . 1 1 17 17 GLN N N 17 121.076 121.076 124.666 -3.590 18118 4522 1 10 . 1 1 17 17 GLN HA H 17 5.135 5.135 4.691 0.444 18118 4523 1 10 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.463 -2.631 18118 4524 1 10 . 1 1 17 17 GLN CB C 17 30.738 30.738 31.130 -0.392 18118 4525 1 10 . 1 1 17 17 GLN H H 17 9.557 9.557 8.961 0.596 18118 4526 1 10 . 1 1 18 18 GLY N N 18 110.950 110.950 108.593 2.357 18118 4527 1 10 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.247 -2.425 18118 4528 1 10 . 1 1 18 18 GLY H H 18 8.294 8.294 8.418 -0.124 18118 4529 1 10 . 1 1 19 19 LEU N N 19 118.809 118.809 121.300 -2.491 18118 4530 1 10 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.720 -0.688 18118 4531 1 10 . 1 1 19 19 LEU CA C 19 50.705 50.705 51.384 -0.679 18118 4532 1 10 . 1 1 19 19 LEU CB C 19 37.568 37.568 44.063 -6.495 18118 4533 1 10 . 1 1 19 19 LEU H H 19 8.292 8.292 7.905 0.387 18118 4534 1 10 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.581 -0.289 18118 4535 1 10 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.427 -2.326 18118 4536 1 10 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.623 -3.424 18118 4537 1 10 . 1 1 21 21 TRP N N 21 124.383 124.383 117.702 6.681 18118 4538 1 10 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.468 0.222 18118 4539 1 10 . 1 1 21 21 TRP CA C 21 56.237 56.237 57.992 -1.756 18118 4540 1 10 . 1 1 21 21 TRP CB C 21 25.965 25.965 28.903 -2.938 18118 4541 1 10 . 1 1 21 21 TRP H H 21 8.527 8.527 8.574 -0.047 18118 4542 1 10 . 1 1 22 22 SER N N 22 109.532 109.532 115.730 -6.198 18118 4543 1 10 . 1 1 22 22 SER HA H 22 4.099 4.099 4.301 -0.202 18118 4544 1 10 . 1 1 22 22 SER CA C 22 54.162 54.162 57.047 -2.885 18118 4545 1 10 . 1 1 22 22 SER CB C 22 60.334 60.334 62.772 -2.438 18118 4546 1 10 . 1 1 22 22 SER H H 22 7.436 7.436 7.580 -0.144 18118 4547 1 10 . 1 1 23 23 CYS N N 23 119.744 119.744 122.637 -2.893 18118 4548 1 10 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.212 0.254 18118 4549 1 10 . 1 1 23 23 CYS CA C 23 55.975 55.975 58.745 -2.770 18118 4550 1 10 . 1 1 23 23 CYS CB C 23 25.489 25.489 27.933 -2.444 18118 4551 1 10 . 1 1 23 23 CYS H H 23 7.221 7.221 8.045 -0.824 18118 4552 1 10 . 1 1 24 24 THR N N 24 115.371 115.371 115.150 0.221 18118 4553 1 10 . 1 1 24 24 THR HA H 24 4.697 4.697 4.379 0.318 18118 4554 1 10 . 1 1 24 24 THR CA C 24 57.172 57.172 61.380 -4.208 18118 4555 1 10 . 1 1 24 24 THR CB C 24 56.222 56.222 70.803 -14.581 18118 4556 1 10 . 1 1 24 24 THR H H 24 9.082 9.082 7.749 1.333 18118 4557 1 10 . 1 1 25 25 MET N N 25 118.539 118.539 122.367 -3.828 18118 4558 1 10 . 1 1 25 25 MET HA H 25 4.161 4.161 4.096 0.065 18118 4559 1 10 . 1 1 25 25 MET CA C 25 57.241 57.241 59.414 -2.173 18118 4560 1 10 . 1 1 25 25 MET CB C 25 29.452 29.452 32.275 -2.823 18118 4561 1 10 . 1 1 25 25 MET H H 25 8.794 8.794 8.847 -0.053 18118 4562 1 10 . 1 1 26 26 GLU N N 26 118.967 118.967 118.710 0.257 18118 4563 1 10 . 1 1 26 26 GLU HA H 26 3.802 3.802 3.994 -0.192 18118 4564 1 10 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.093 -2.846 18118 4565 1 10 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.710 -2.047 18118 4566 1 10 . 1 1 26 26 GLU H H 26 8.462 8.462 8.766 -0.304 18118 4567 1 10 . 1 1 27 27 ASP N N 27 118.711 118.711 118.807 -0.096 18118 4568 1 10 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.394 -0.095 18118 4569 1 10 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.426 -2.355 18118 4570 1 10 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.302 -1.646 18118 4571 1 10 . 1 1 27 27 ASP H H 27 7.812 7.812 7.827 -0.015 18118 4572 1 10 . 1 1 28 28 VAL N N 28 120.825 120.825 119.879 0.946 18118 4573 1 10 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.806 -0.362 18118 4574 1 10 . 1 1 28 28 VAL CA C 28 64.841 64.841 66.009 -1.168 18118 4575 1 10 . 1 1 28 28 VAL CB C 28 29.052 29.052 31.664 -2.612 18118 4576 1 10 . 1 1 28 28 VAL H H 28 7.528 7.528 7.893 -0.365 18118 4577 1 10 . 1 1 29 29 LEU N N 29 120.586 120.586 120.795 -0.209 18118 4578 1 10 . 1 1 29 29 LEU HA H 29 3.778 3.778 4.024 -0.246 18118 4579 1 10 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.367 -2.385 18118 4580 1 10 . 1 1 29 29 LEU CB C 29 38.954 38.954 40.712 -1.758 18118 4581 1 10 . 1 1 29 29 LEU H H 29 8.399 8.399 8.237 0.162 18118 4582 1 10 . 1 1 30 30 ASN N N 30 114.059 114.059 117.049 -2.990 18118 4583 1 10 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.438 -0.040 18118 4584 1 10 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.640 -4.160 18118 4585 1 10 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.552 -2.420 18118 4586 1 10 . 1 1 30 30 ASN H H 30 8.156 8.156 8.014 0.142 18118 4587 1 10 . 1 1 31 31 PHE N N 31 123.816 123.816 122.156 1.660 18118 4588 1 10 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.067 0.060 18118 4589 1 10 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.958 -2.139 18118 4590 1 10 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.174 -1.998 18118 4591 1 10 . 1 1 31 31 PHE H H 31 8.033 8.033 7.609 0.424 18118 4592 1 10 . 1 1 32 32 PHE N N 32 115.681 115.681 113.155 2.526 18118 4593 1 10 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.607 0.046 18118 4594 1 10 . 1 1 32 32 PHE CA C 32 54.039 54.039 56.262 -2.223 18118 4595 1 10 . 1 1 32 32 PHE CB C 32 35.047 35.047 37.424 -2.377 18118 4596 1 10 . 1 1 32 32 PHE H H 32 7.622 7.622 8.364 -0.742 18118 4597 1 10 . 1 1 33 33 SER N N 33 113.797 113.797 116.330 -2.533 18118 4598 1 10 . 1 1 33 33 SER HA H 33 4.111 4.111 4.327 -0.216 18118 4599 1 10 . 1 1 33 33 SER CA C 33 59.041 59.041 60.557 -1.516 18118 4600 1 10 . 1 1 33 33 SER CB C 33 60.339 60.339 63.598 -3.259 18118 4601 1 10 . 1 1 33 33 SER H H 33 6.834 6.834 7.546 -0.712 18118 4602 1 10 . 1 1 34 34 ASP N N 34 119.155 119.155 120.852 -1.697 18118 4603 1 10 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.810 -0.229 18118 4604 1 10 . 1 1 34 34 ASP CA C 34 51.606 51.606 52.879 -1.273 18118 4605 1 10 . 1 1 34 34 ASP CB C 34 37.727 37.727 40.331 -2.604 18118 4606 1 10 . 1 1 34 34 ASP H H 34 8.717 8.717 8.540 0.177 18118 4607 1 10 . 1 1 35 35 CYS N N 35 117.269 117.269 117.679 -0.410 18118 4608 1 10 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.793 -0.285 18118 4609 1 10 . 1 1 35 35 CYS CA C 35 54.961 54.961 56.621 -1.661 18118 4610 1 10 . 1 1 35 35 CYS CB C 35 27.986 27.986 31.819 -3.833 18118 4611 1 10 . 1 1 35 35 CYS H H 35 8.009 8.009 7.736 0.273 18118 4612 1 10 . 1 1 36 36 ARG N N 36 123.980 123.980 122.737 1.243 18118 4613 1 10 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.628 -0.339 18118 4614 1 10 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.409 -1.681 18118 4615 1 10 . 1 1 36 36 ARG CB C 36 26.279 26.279 31.127 -4.848 18118 4616 1 10 . 1 1 36 36 ARG H H 36 8.666 8.666 8.282 0.384 18118 4617 1 10 . 1 1 37 37 ILE N N 37 128.014 128.014 125.101 2.913 18118 4618 1 10 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.129 0.082 18118 4619 1 10 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.543 -2.964 18118 4620 1 10 . 1 1 37 37 ILE CB C 37 36.026 36.026 38.928 -2.902 18118 4621 1 10 . 1 1 37 37 ILE H H 37 8.084 8.084 8.568 -0.484 18118 4622 1 10 . 1 1 38 38 ARG N N 38 133.264 133.264 128.312 4.952 18118 4623 1 10 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.155 -0.310 18118 4624 1 10 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.474 -2.707 18118 4625 1 10 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.323 -2.494 18118 4626 1 10 . 1 1 38 38 ARG H H 38 8.662 8.662 8.746 -0.084 18118 4627 1 10 . 1 1 39 39 ASN N N 39 117.723 117.723 121.621 -3.898 18118 4628 1 10 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.380 -0.198 18118 4629 1 10 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.509 -2.807 18118 4630 1 10 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.294 -2.448 18118 4631 1 10 . 1 1 39 39 ASN H H 39 8.992 8.992 8.730 0.262 18118 4632 1 10 . 1 1 40 40 GLY N N 40 108.314 108.314 107.054 1.260 18118 4633 1 10 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.915 -2.632 18118 4634 1 10 . 1 1 40 40 GLY H H 40 7.949 7.949 8.446 -0.497 18118 4635 1 10 . 1 1 41 41 GLU N N 41 124.398 124.398 121.283 3.115 18118 4636 1 10 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.473 -0.661 18118 4637 1 10 . 1 1 41 41 GLU CA C 41 56.741 56.741 56.977 -0.236 18118 4638 1 10 . 1 1 41 41 GLU CB C 41 26.718 26.718 30.683 -3.965 18118 4639 1 10 . 1 1 41 41 GLU H H 41 9.235 9.235 7.956 1.279 18118 4640 1 10 . 1 1 42 42 ASN N N 42 113.155 113.155 119.362 -6.207 18118 4641 1 10 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.617 -0.110 18118 4642 1 10 . 1 1 42 42 ASN CA C 42 51.901 51.901 54.999 -3.098 18118 4643 1 10 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.783 -2.718 18118 4644 1 10 . 1 1 42 42 ASN H H 42 7.523 7.523 8.192 -0.669 18118 4645 1 10 . 1 1 43 43 GLY N N 43 109.898 109.898 106.971 2.927 18118 4646 1 10 . 1 1 43 43 GLY CA C 43 42.561 42.561 45.058 -2.497 18118 4647 1 10 . 1 1 43 43 GLY H H 43 8.131 8.131 7.525 0.606 18118 4648 1 10 . 1 1 44 44 ILE N N 44 119.116 119.116 122.636 -3.520 18118 4649 1 10 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.121 -0.344 18118 4650 1 10 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.307 -4.027 18118 4651 1 10 . 1 1 44 44 ILE CB C 44 36.145 36.145 36.888 -0.743 18118 4652 1 10 . 1 1 44 44 ILE H H 44 6.715 6.715 7.672 -0.957 18118 4653 1 10 . 1 1 45 45 HIS N N 45 124.064 124.064 128.664 -4.600 18118 4654 1 10 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.651 0.232 18118 4655 1 10 . 1 1 45 45 HIS CA C 45 49.681 49.681 55.546 -5.865 18118 4656 1 10 . 1 1 45 45 HIS CB C 45 25.934 25.934 33.215 -7.282 18118 4657 1 10 . 1 1 45 45 HIS H H 45 8.493 8.493 9.184 -0.691 18118 4658 1 10 . 1 1 46 46 PHE N N 46 123.886 123.886 119.741 4.145 18118 4659 1 10 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.881 -0.318 18118 4660 1 10 . 1 1 46 46 PHE CA C 46 57.122 57.122 56.213 0.909 18118 4661 1 10 . 1 1 46 46 PHE CB C 46 36.299 36.299 41.072 -4.774 18118 4662 1 10 . 1 1 46 46 PHE H H 46 9.014 9.014 7.538 1.476 18118 4663 1 10 . 1 1 47 47 LEU N N 47 124.343 124.343 124.422 -0.079 18118 4664 1 10 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.740 -0.236 18118 4665 1 10 . 1 1 47 47 LEU CA C 47 51.885 51.885 54.111 -2.226 18118 4666 1 10 . 1 1 47 47 LEU CB C 47 38.896 38.896 41.671 -2.775 18118 4667 1 10 . 1 1 47 47 LEU H H 47 8.066 8.066 9.136 -1.070 18118 4668 1 10 . 1 1 48 48 LEU N N 48 122.809 122.809 123.051 -0.242 18118 4669 1 10 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.589 0.236 18118 4670 1 10 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.655 -2.725 18118 4671 1 10 . 1 1 48 48 LEU CB C 48 41.655 41.655 44.533 -2.878 18118 4672 1 10 . 1 1 48 48 LEU H H 48 8.754 8.754 8.120 0.634 18118 4673 1 10 . 1 1 49 49 ASN N N 49 119.420 119.420 118.422 0.998 18118 4674 1 10 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.835 -0.044 18118 4675 1 10 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.682 -4.087 18118 4676 1 10 . 1 1 49 49 ASN CB C 49 36.735 36.735 40.087 -3.352 18118 4677 1 10 . 1 1 49 49 ASN H H 49 8.757 8.757 8.343 0.414 18118 4678 1 10 . 1 1 50 50 ARG N N 50 119.367 119.367 118.766 0.601 18118 4679 1 10 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.171 -0.145 18118 4680 1 10 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.056 -2.138 18118 4681 1 10 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.770 -2.576 18118 4682 1 10 . 1 1 50 50 ARG H H 50 8.618 8.618 8.753 -0.135 18118 4683 1 10 . 1 1 51 51 ASP N N 51 116.650 116.650 116.394 0.256 18118 4684 1 10 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.693 -0.108 18118 4685 1 10 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.915 -2.635 18118 4686 1 10 . 1 1 51 51 ASP CB C 51 38.544 38.544 41.620 -3.076 18118 4687 1 10 . 1 1 51 51 ASP H H 51 7.577 7.577 8.091 -0.514 18118 4688 1 10 . 1 1 52 52 GLY N N 52 107.719 107.719 108.719 -1.000 18118 4689 1 10 . 1 1 52 52 GLY CA C 52 43.341 43.341 46.112 -2.771 18118 4690 1 10 . 1 1 52 52 GLY H H 52 8.171 8.171 8.269 -0.098 18118 4691 1 10 . 1 1 53 53 LYS N N 53 119.174 119.174 116.366 2.808 18118 4692 1 10 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.654 -0.235 18118 4693 1 10 . 1 1 53 53 LYS CA C 53 51.788 51.788 54.354 -2.566 18118 4694 1 10 . 1 1 53 53 LYS CB C 53 30.976 30.976 31.693 -0.717 18118 4695 1 10 . 1 1 53 53 LYS H H 53 7.750 7.750 8.036 -0.286 18118 4696 1 10 . 1 1 54 54 ARG N N 54 121.126 121.126 120.291 0.835 18118 4697 1 10 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.230 -0.061 18118 4698 1 10 . 1 1 54 54 ARG CA C 54 54.949 54.949 57.717 -2.768 18118 4699 1 10 . 1 1 54 54 ARG CB C 54 28.054 28.054 30.704 -2.650 18118 4700 1 10 . 1 1 54 54 ARG H H 54 8.570 8.570 8.510 0.060 18118 4701 1 10 . 1 1 55 55 ARG N N 55 121.856 121.856 115.234 6.622 18118 4702 1 10 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.641 -0.600 18118 4703 1 10 . 1 1 55 55 ARG CA C 55 53.172 53.172 55.171 -1.999 18118 4704 1 10 . 1 1 55 55 ARG CB C 55 29.692 29.692 32.635 -2.943 18118 4705 1 10 . 1 1 55 55 ARG H H 55 8.352 8.352 7.913 0.439 18118 4706 1 10 . 1 1 56 56 GLY N N 56 108.554 108.554 107.031 1.523 18118 4707 1 10 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.598 -1.137 18118 4708 1 10 . 1 1 56 56 GLY H H 56 8.683 8.683 8.576 0.107 18118 4709 1 10 . 1 1 57 57 ASP N N 57 117.136 117.136 117.857 -0.721 18118 4710 1 10 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.556 0.201 18118 4711 1 10 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.439 -3.195 18118 4712 1 10 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.400 -3.135 18118 4713 1 10 . 1 1 57 57 ASP H H 57 8.018 8.018 7.516 0.502 18118 4714 1 10 . 1 1 58 58 ALA N N 58 122.425 122.425 119.901 2.524 18118 4715 1 10 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.938 0.167 18118 4716 1 10 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.045 -2.687 18118 4717 1 10 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.744 -3.300 18118 4718 1 10 . 1 1 58 58 ALA H H 58 9.137 9.137 8.612 0.525 18118 4719 1 10 . 1 1 59 59 LEU N N 59 121.454 121.454 121.388 0.066 18118 4720 1 10 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.107 0.140 18118 4721 1 10 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.939 -3.581 18118 4722 1 10 . 1 1 59 59 LEU CB C 59 42.166 42.166 44.189 -2.023 18118 4723 1 10 . 1 1 59 59 LEU H H 59 8.604 8.604 8.766 -0.162 18118 4724 1 10 . 1 1 60 60 ILE N N 60 123.974 123.974 121.710 2.264 18118 4725 1 10 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.681 0.157 18118 4726 1 10 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.796 -1.412 18118 4727 1 10 . 1 1 60 60 ILE CB C 60 38.147 38.147 40.604 -2.457 18118 4728 1 10 . 1 1 60 60 ILE H H 60 9.081 9.081 9.151 -0.070 18118 4729 1 10 . 1 1 61 61 GLU N N 61 126.177 126.177 125.644 0.533 18118 4730 1 10 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.582 -0.037 18118 4731 1 10 . 1 1 61 61 GLU CA C 61 52.464 52.464 55.598 -3.134 18118 4732 1 10 . 1 1 61 61 GLU CB C 61 29.517 29.517 31.048 -1.531 18118 4733 1 10 . 1 1 61 61 GLU H H 61 8.832 8.832 8.838 -0.006 18118 4734 1 10 . 1 1 62 62 MET N N 62 121.191 121.191 126.011 -4.820 18118 4735 1 10 . 1 1 62 62 MET HA H 62 5.131 5.131 4.516 0.615 18118 4736 1 10 . 1 1 62 62 MET CA C 62 49.938 49.938 54.331 -4.394 18118 4737 1 10 . 1 1 62 62 MET CB C 62 30.874 30.874 34.437 -3.563 18118 4738 1 10 . 1 1 62 62 MET H H 62 8.854 8.854 8.716 0.139 18118 4739 1 10 . 1 1 63 63 GLU N N 63 117.598 117.598 119.912 -2.314 18118 4740 1 10 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.422 -0.351 18118 4741 1 10 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.220 -1.065 18118 4742 1 10 . 1 1 63 63 GLU CB C 63 28.080 28.080 31.071 -2.991 18118 4743 1 10 . 1 1 63 63 GLU H H 63 8.092 8.092 8.423 -0.331 18118 4744 1 10 . 1 1 64 64 SER N N 64 109.627 109.627 112.428 -2.801 18118 4745 1 10 . 1 1 64 64 SER HA H 64 4.113 4.113 3.532 0.581 18118 4746 1 10 . 1 1 64 64 SER CA C 64 54.607 54.607 56.864 -2.257 18118 4747 1 10 . 1 1 64 64 SER CB C 64 65.273 65.273 65.558 -0.285 18118 4748 1 10 . 1 1 64 64 SER H H 64 7.710 7.710 7.630 0.080 18118 4749 1 10 . 1 1 65 65 GLU N N 65 121.394 121.394 121.322 0.072 18118 4750 1 10 . 1 1 65 65 GLU HA H 65 3.485 3.485 4.100 -0.615 18118 4751 1 10 . 1 1 65 65 GLU CA C 65 56.100 56.100 59.989 -3.889 18118 4752 1 10 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.650 -3.368 18118 4753 1 10 . 1 1 65 65 GLU H H 65 8.364 8.364 8.265 0.099 18118 4754 1 10 . 1 1 66 66 GLN N N 66 118.987 118.987 118.545 0.442 18118 4755 1 10 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.057 -0.155 18118 4756 1 10 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.512 -3.074 18118 4757 1 10 . 1 1 66 66 GLN CB C 66 25.394 25.394 27.643 -2.249 18118 4758 1 10 . 1 1 66 66 GLN H H 66 7.979 7.979 8.602 -0.623 18118 4759 1 10 . 1 1 67 67 ASP N N 67 118.539 118.539 117.016 1.523 18118 4760 1 10 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.394 -0.060 18118 4761 1 10 . 1 1 67 67 ASP CA C 67 55.727 55.727 57.460 -1.733 18118 4762 1 10 . 1 1 67 67 ASP CB C 67 41.607 41.607 40.053 1.554 18118 4763 1 10 . 1 1 67 67 ASP H H 67 7.325 7.325 8.722 -1.397 18118 4764 1 10 . 1 1 68 68 VAL N N 68 119.502 119.502 120.025 -0.523 18118 4765 1 10 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.827 -0.652 18118 4766 1 10 . 1 1 68 68 VAL CA C 68 64.830 64.830 64.626 0.204 18118 4767 1 10 . 1 1 68 68 VAL CB C 68 28.834 28.834 32.505 -3.671 18118 4768 1 10 . 1 1 68 68 VAL H H 68 7.165 7.165 7.033 0.132 18118 4769 1 10 . 1 1 69 69 GLN N N 69 115.899 115.899 118.951 -3.052 18118 4770 1 10 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.948 -0.214 18118 4771 1 10 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.562 -2.158 18118 4772 1 10 . 1 1 69 69 GLN CB C 69 25.212 25.212 28.289 -3.077 18118 4773 1 10 . 1 1 69 69 GLN H H 69 7.718 7.718 8.560 -0.842 18118 4774 1 10 . 1 1 70 70 LYS N N 70 118.403 118.403 119.328 -0.925 18118 4775 1 10 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.023 -0.095 18118 4776 1 10 . 1 1 70 70 LYS CA C 70 55.937 55.937 59.405 -3.468 18118 4777 1 10 . 1 1 70 70 LYS CB C 70 29.946 29.946 32.004 -2.058 18118 4778 1 10 . 1 1 70 70 LYS H H 70 7.767 7.767 7.728 0.039 18118 4779 1 10 . 1 1 71 71 ALA N N 71 124.650 124.650 121.008 3.642 18118 4780 1 10 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.407 -0.380 18118 4781 1 10 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.731 -1.988 18118 4782 1 10 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.347 -2.233 18118 4783 1 10 . 1 1 71 71 ALA H H 71 8.160 8.160 7.372 0.788 18118 4784 1 10 . 1 1 72 72 LEU N N 72 116.557 116.557 117.861 -1.304 18118 4785 1 10 . 1 1 72 72 LEU HA H 72 3.794 3.794 4.227 -0.433 18118 4786 1 10 . 1 1 72 72 LEU CA C 72 54.664 54.664 56.073 -1.409 18118 4787 1 10 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.323 -2.490 18118 4788 1 10 . 1 1 72 72 LEU H H 72 8.055 8.055 7.647 0.408 18118 4789 1 10 . 1 1 73 73 GLU N N 73 117.807 117.807 120.105 -2.298 18118 4790 1 10 . 1 1 73 73 GLU HA H 73 4.090 4.090 4.145 -0.055 18118 4791 1 10 . 1 1 73 73 GLU CA C 73 55.462 55.462 58.755 -3.293 18118 4792 1 10 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.262 -2.456 18118 4793 1 10 . 1 1 73 73 GLU H H 73 7.369 7.369 7.889 -0.520 18118 4794 1 10 . 1 1 74 74 LYS N N 74 116.715 116.715 115.671 1.044 18118 4795 1 10 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.537 -0.345 18118 4796 1 10 . 1 1 74 74 LYS CA C 74 51.741 51.741 54.432 -2.691 18118 4797 1 10 . 1 1 74 74 LYS CB C 74 28.464 28.464 32.327 -3.862 18118 4798 1 10 . 1 1 74 74 LYS H H 74 7.805 7.805 7.659 0.146 18118 4799 1 10 . 1 1 75 75 HIS N N 75 117.177 117.177 119.622 -2.445 18118 4800 1 10 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.834 -0.506 18118 4801 1 10 . 1 1 75 75 HIS CA C 75 55.811 55.811 56.455 -0.643 18118 4802 1 10 . 1 1 75 75 HIS CB C 75 29.583 29.583 30.757 -1.174 18118 4803 1 10 . 1 1 75 75 HIS H H 75 7.184 7.184 7.725 -0.541 18118 4804 1 10 . 1 1 76 76 ARG N N 76 121.753 121.753 117.274 4.479 18118 4805 1 10 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.028 0.278 18118 4806 1 10 . 1 1 76 76 ARG CA C 76 55.719 55.719 58.327 -2.608 18118 4807 1 10 . 1 1 76 76 ARG CB C 76 33.288 33.288 29.226 4.062 18118 4808 1 10 . 1 1 76 76 ARG H H 76 9.042 9.042 8.949 0.093 18118 4809 1 10 . 1 1 77 77 MET N N 77 117.206 117.206 117.044 0.162 18118 4810 1 10 . 1 1 77 77 MET HA H 77 4.598 4.598 4.452 0.146 18118 4811 1 10 . 1 1 77 77 MET CA C 77 52.590 52.590 55.213 -2.623 18118 4812 1 10 . 1 1 77 77 MET CB C 77 31.234 31.234 33.429 -2.195 18118 4813 1 10 . 1 1 77 77 MET H H 77 7.835 7.835 7.391 0.444 18118 4814 1 10 . 1 1 78 78 TYR N N 78 117.960 117.960 117.147 0.813 18118 4815 1 10 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.991 -0.389 18118 4816 1 10 . 1 1 78 78 TYR CA C 78 56.028 56.028 56.807 -0.779 18118 4817 1 10 . 1 1 78 78 TYR CB C 78 37.334 37.334 41.457 -4.123 18118 4818 1 10 . 1 1 78 78 TYR H H 78 8.359 8.359 8.266 0.093 18118 4819 1 10 . 1 1 79 79 MET N N 79 124.673 124.673 118.521 6.152 18118 4820 1 10 . 1 1 79 79 MET HA H 79 4.325 4.325 4.969 -0.644 18118 4821 1 10 . 1 1 79 79 MET CA C 79 52.338 52.338 54.828 -2.490 18118 4822 1 10 . 1 1 79 79 MET CB C 79 31.907 31.907 33.455 -1.548 18118 4823 1 10 . 1 1 79 79 MET H H 79 8.642 8.642 8.987 -0.345 18118 4824 1 10 . 1 1 80 80 GLY N N 80 115.191 115.191 114.379 0.812 18118 4825 1 10 . 1 1 80 80 GLY CA C 80 44.426 44.426 47.231 -2.805 18118 4826 1 10 . 1 1 80 80 GLY H H 80 8.709 8.709 9.037 -0.328 18118 4827 1 10 . 1 1 81 81 GLN N N 81 121.981 121.981 119.407 2.574 18118 4828 1 10 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.612 -0.465 18118 4829 1 10 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.621 -2.064 18118 4830 1 10 . 1 1 81 81 GLN CB C 81 26.736 26.736 30.503 -3.767 18118 4831 1 10 . 1 1 81 81 GLN H H 81 8.598 8.598 8.391 0.207 18118 4832 1 10 . 1 1 82 82 ARG N N 82 118.652 118.652 119.819 -1.167 18118 4833 1 10 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.346 0.154 18118 4834 1 10 . 1 1 82 82 ARG CA C 82 51.593 51.593 53.869 -2.276 18118 4835 1 10 . 1 1 82 82 ARG CB C 82 29.507 29.507 32.831 -3.324 18118 4836 1 10 . 1 1 82 82 ARG H H 82 7.660 7.660 7.811 -0.151 18118 4837 1 10 . 1 1 84 84 VAL N N 84 125.216 125.216 118.925 6.291 18118 4838 1 10 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.636 -0.318 18118 4839 1 10 . 1 1 84 84 VAL CA C 84 58.647 58.647 60.764 -2.117 18118 4840 1 10 . 1 1 84 84 VAL CB C 84 31.015 31.015 36.324 -5.309 18118 4841 1 10 . 1 1 84 84 VAL H H 84 8.222 8.222 7.906 0.316 18118 4842 1 10 . 1 1 86 86 VAL N N 86 120.000 120.000 128.762 -8.762 18118 4843 1 10 . 1 1 86 86 VAL HA H 86 4.807 4.807 5.361 -0.554 18118 4844 1 10 . 1 1 86 86 VAL CA C 86 58.928 58.928 61.120 -2.192 18118 4845 1 10 . 1 1 86 86 VAL CB C 86 33.201 33.201 33.791 -0.590 18118 4846 1 10 . 1 1 87 87 TYR N N 87 120.377 120.377 128.390 -8.013 18118 4847 1 10 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.801 -0.177 18118 4848 1 10 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.576 -3.132 18118 4849 1 10 . 1 1 87 87 TYR CB C 87 40.105 40.105 43.469 -3.364 18118 4850 1 10 . 1 1 87 87 TYR H H 87 8.731 8.731 9.099 -0.368 18118 4851 1 10 . 1 1 88 88 GLU N N 88 122.304 122.304 121.378 0.926 18118 4852 1 10 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.551 -0.201 18118 4853 1 10 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.222 -2.582 18118 4854 1 10 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.860 -2.430 18118 4855 1 10 . 1 1 88 88 GLU H H 88 8.873 8.873 8.286 0.587 18118 4856 1 10 . 1 1 89 89 ILE N N 89 125.082 125.082 124.475 0.607 18118 4857 1 10 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.142 0.116 18118 4858 1 10 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.423 -3.592 18118 4859 1 10 . 1 1 89 89 ILE CB C 89 34.985 34.985 36.690 -1.704 18118 4860 1 10 . 1 1 89 89 ILE H H 89 7.983 7.983 8.310 -0.327 18118 4861 1 10 . 1 1 90 90 ASN N N 90 126.142 126.142 124.781 1.361 18118 4862 1 10 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.720 -0.129 18118 4863 1 10 . 1 1 90 90 ASN CA C 90 50.615 50.615 52.975 -2.360 18118 4864 1 10 . 1 1 90 90 ASN CB C 90 36.638 36.638 39.714 -3.076 18118 4865 1 10 . 1 1 90 90 ASN H H 90 8.890 8.890 8.710 0.180 18118 4866 1 10 . 1 1 91 91 ASN N N 91 121.333 121.333 119.272 2.061 18118 4867 1 10 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.324 -0.028 18118 4868 1 10 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.282 -2.332 18118 4869 1 10 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.143 -1.838 18118 4870 1 10 . 1 1 91 91 ASN H H 91 8.867 8.867 8.847 0.020 18118 4871 1 10 . 1 1 92 92 GLU N N 92 117.848 117.848 119.533 -1.685 18118 4872 1 10 . 1 1 92 92 GLU HA H 92 4.092 4.092 3.957 0.135 18118 4873 1 10 . 1 1 92 92 GLU CA C 92 55.551 55.551 59.509 -3.958 18118 4874 1 10 . 1 1 92 92 GLU CB C 92 26.767 26.767 29.277 -2.510 18118 4875 1 10 . 1 1 92 92 GLU H H 92 8.869 8.869 8.549 0.320 18118 4876 1 10 . 1 1 93 93 ASP N N 93 118.819 118.819 117.062 1.757 18118 4877 1 10 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.704 -0.052 18118 4878 1 10 . 1 1 93 93 ASP CA C 93 52.137 52.137 55.839 -3.701 18118 4879 1 10 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.029 -1.507 18118 4880 1 10 . 1 1 93 93 ASP H H 93 7.965 7.965 7.878 0.087 18118 4881 1 10 . 1 1 94 94 VAL N N 94 120.480 120.480 120.247 0.233 18118 4882 1 10 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.575 -0.301 18118 4883 1 10 . 1 1 94 94 VAL CA C 94 64.179 64.179 66.821 -2.642 18118 4884 1 10 . 1 1 94 94 VAL CB C 94 29.477 29.477 31.923 -2.446 18118 4885 1 10 . 1 1 94 94 VAL H H 94 7.406 7.406 7.133 0.273 18118 4886 1 10 . 1 1 95 95 ASP N N 95 119.806 119.806 119.134 0.672 18118 4887 1 10 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.257 -0.102 18118 4888 1 10 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.593 -2.377 18118 4889 1 10 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.737 -2.111 18118 4890 1 10 . 1 1 95 95 ASP H H 95 8.342 8.342 7.628 0.714 18118 4891 1 10 . 1 1 96 96 ALA N N 96 119.946 119.946 121.742 -1.796 18118 4892 1 10 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.133 -0.207 18118 4893 1 10 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.424 -2.284 18118 4894 1 10 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.482 -2.806 18118 4895 1 10 . 1 1 96 96 ALA H H 96 8.162 8.162 7.909 0.253 18118 4896 1 10 . 1 1 97 97 LEU N N 97 119.391 119.391 119.876 -0.485 18118 4897 1 10 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.775 0.210 18118 4898 1 10 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.921 -3.090 18118 4899 1 10 . 1 1 97 97 LEU CB C 97 39.438 39.438 42.039 -2.601 18118 4900 1 10 . 1 1 97 97 LEU H H 97 7.679 7.679 7.560 0.119 18118 4901 1 10 . 1 1 98 98 MET N N 98 118.055 118.055 115.877 2.178 18118 4902 1 10 . 1 1 98 98 MET HA H 98 4.128 4.128 4.080 0.048 18118 4903 1 10 . 1 1 98 98 MET CA C 98 54.606 54.606 57.955 -3.349 18118 4904 1 10 . 1 1 98 98 MET CB C 98 27.902 27.902 31.513 -3.611 18118 4905 1 10 . 1 1 98 98 MET H H 98 8.504 8.504 7.648 0.856 18118 4906 1 10 . 1 1 99 99 LYS N N 99 119.351 119.351 119.087 0.264 18118 4907 1 10 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.162 -0.191 18118 4908 1 10 . 1 1 99 99 LYS CA C 99 56.301 56.301 57.959 -1.658 18118 4909 1 10 . 1 1 99 99 LYS CB C 99 29.692 29.692 31.478 -1.786 18118 4910 1 10 . 1 1 99 99 LYS H H 99 7.986 7.986 7.778 0.208 18118 4911 1 10 . 1 1 100 100 SER N N 100 114.964 114.964 113.300 1.664 18118 4912 1 10 . 1 1 100 100 SER HA H 100 4.268 4.268 4.351 -0.083 18118 4913 1 10 . 1 1 100 100 SER CA C 100 57.764 57.764 59.698 -1.934 18118 4914 1 10 . 1 1 100 100 SER CB C 100 60.753 60.753 63.561 -2.808 18118 4915 1 10 . 1 1 100 100 SER H H 100 7.711 7.711 7.693 0.018 18118 4916 1 10 . 1 1 101 101 LEU N N 101 120.679 120.679 119.528 1.151 18118 4917 1 10 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.496 -0.336 18118 4918 1 10 . 1 1 101 101 LEU CA C 101 52.893 52.893 54.630 -1.737 18118 4919 1 10 . 1 1 101 101 LEU CB C 101 39.541 39.541 43.069 -3.528 18118 4920 1 10 . 1 1 101 101 LEU H H 101 7.405 7.405 7.651 -0.246 18118 4921 1 10 . 1 1 102 102 GLN N N 102 117.646 117.646 120.298 -2.652 18118 4922 1 10 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.286 -0.091 18118 4923 1 10 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.699 -2.339 18118 4924 1 10 . 1 1 102 102 GLN CB C 102 26.480 26.480 26.281 0.199 18118 4925 1 10 . 1 1 102 102 GLN H H 102 7.588 7.588 8.306 -0.718 18118 4926 1 10 . 1 1 103 103 VAL N N 103 120.269 120.269 122.087 -1.818 18118 4927 1 10 . 1 1 103 103 VAL HA H 103 4.015 4.015 3.960 0.055 18118 4928 1 10 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.952 -3.197 18118 4929 1 10 . 1 1 103 103 VAL CB C 103 30.579 30.579 30.173 0.406 18118 4930 1 10 . 1 1 103 103 VAL H H 103 7.839 7.839 7.749 0.090 18118 4931 1 10 . 1 1 104 104 LYS N N 104 125.201 125.201 121.886 3.315 18118 4932 1 10 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.515 -0.172 18118 4933 1 10 . 1 1 104 104 LYS CA C 104 53.348 53.348 55.699 -2.351 18118 4934 1 10 . 1 1 104 104 LYS CB C 104 30.634 30.634 32.899 -2.265 18118 4935 1 10 . 1 1 104 104 LYS H H 104 8.364 8.364 7.715 0.649 18118 4936 1 10 . 1 1 105 105 SER N N 105 117.664 117.664 119.433 -1.769 18118 4937 1 10 . 1 1 105 105 SER HA H 105 4.401 4.401 4.435 -0.034 18118 4938 1 10 . 1 1 105 105 SER CA C 105 55.611 55.611 58.250 -2.639 18118 4939 1 10 . 1 1 105 105 SER CB C 105 61.286 61.286 63.690 -2.404 18118 4940 1 10 . 1 1 105 105 SER H H 105 8.354 8.354 8.256 0.098 18118 4941 1 11 . 1 1 2 2 SER N N 2 118.867 118.867 114.357 4.510 18118 4942 1 11 . 1 1 2 2 SER HA H 2 4.707 4.707 5.176 -0.469 18118 4943 1 11 . 1 1 2 2 SER CA C 2 55.678 55.678 57.393 -1.715 18118 4944 1 11 . 1 1 2 2 SER CB C 2 61.009 61.009 66.394 -5.385 18118 4945 1 11 . 1 1 2 2 SER H H 2 8.195 8.195 8.612 -0.417 18118 4946 1 11 . 1 1 3 3 LYS N N 3 123.188 123.188 123.222 -0.034 18118 4947 1 11 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.943 -3.235 18118 4948 1 11 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.518 -2.144 18118 4949 1 11 . 1 1 3 3 LYS H H 3 8.427 8.427 8.654 -0.227 18118 4950 1 11 . 1 1 4 4 LEU N N 4 123.342 123.342 122.120 1.222 18118 4951 1 11 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.384 -0.180 18118 4952 1 11 . 1 1 4 4 LEU CA C 4 52.990 52.990 55.638 -2.648 18118 4953 1 11 . 1 1 4 4 LEU CB C 4 39.667 39.667 42.504 -2.837 18118 4954 1 11 . 1 1 4 4 LEU H H 4 8.311 8.311 8.103 0.208 18118 4955 1 11 . 1 1 5 5 GLU N N 5 120.431 120.431 119.610 0.821 18118 4956 1 11 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.459 -0.302 18118 4957 1 11 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.202 -1.972 18118 4958 1 11 . 1 1 5 5 GLU CB C 5 27.847 27.847 30.338 -2.491 18118 4959 1 11 . 1 1 5 5 GLU H H 5 8.321 8.321 8.620 -0.299 18118 4960 1 11 . 1 1 6 6 GLU N N 6 120.027 120.027 116.223 3.804 18118 4961 1 11 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.524 -0.333 18118 4962 1 11 . 1 1 6 6 GLU CA C 6 53.842 53.842 55.904 -2.062 18118 4963 1 11 . 1 1 6 6 GLU CB C 6 27.723 27.723 31.598 -3.875 18118 4964 1 11 . 1 1 6 6 GLU H H 6 8.177 8.177 7.702 0.475 18118 4965 1 11 . 1 1 7 7 GLU N N 7 121.663 121.663 121.391 0.272 18118 4966 1 11 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.474 -0.283 18118 4967 1 11 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.675 -2.996 18118 4968 1 11 . 1 1 7 7 GLU CB C 7 27.548 27.548 30.957 -3.409 18118 4969 1 11 . 1 1 7 7 GLU H H 7 8.228 8.228 8.978 -0.750 18118 4970 1 11 . 1 1 8 8 VAL N N 8 120.733 120.733 118.262 2.471 18118 4971 1 11 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.295 -0.209 18118 4972 1 11 . 1 1 8 8 VAL CA C 8 59.139 59.139 60.725 -1.586 18118 4973 1 11 . 1 1 8 8 VAL CB C 8 30.700 30.700 32.602 -1.903 18118 4974 1 11 . 1 1 8 8 VAL H H 8 8.102 8.102 7.700 0.402 18118 4975 1 11 . 1 1 9 9 ASP N N 9 124.190 124.190 119.453 4.737 18118 4976 1 11 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.653 -0.096 18118 4977 1 11 . 1 1 9 9 ASP CA C 9 51.180 51.180 53.394 -2.214 18118 4978 1 11 . 1 1 9 9 ASP CB C 9 38.781 38.781 42.109 -3.328 18118 4979 1 11 . 1 1 9 9 ASP H H 9 8.313 8.313 8.318 -0.005 18118 4980 1 11 . 1 1 10 10 ASP N N 10 120.966 120.966 120.385 0.581 18118 4981 1 11 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.495 -0.116 18118 4982 1 11 . 1 1 10 10 ASP CA C 10 51.555 51.555 54.229 -2.674 18118 4983 1 11 . 1 1 10 10 ASP CB C 10 39.138 39.138 39.341 -0.203 18118 4984 1 11 . 1 1 10 10 ASP H H 10 8.106 8.106 8.439 -0.333 18118 4985 1 11 . 1 1 11 11 VAL N N 11 119.321 119.321 120.366 -1.045 18118 4986 1 11 . 1 1 11 11 VAL HA H 11 3.919 3.919 4.160 -0.241 18118 4987 1 11 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.425 -2.704 18118 4988 1 11 . 1 1 11 11 VAL CB C 11 31.300 31.300 34.178 -2.878 18118 4989 1 11 . 1 1 11 11 VAL H H 11 7.528 7.528 7.620 -0.092 18118 4990 1 11 . 1 1 12 12 PHE N N 12 125.723 125.723 126.678 -0.955 18118 4991 1 11 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.713 -0.127 18118 4992 1 11 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.506 -1.742 18118 4993 1 11 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.172 -0.474 18118 4994 1 11 . 1 1 12 12 PHE H H 12 8.573 8.573 8.557 0.016 18118 4995 1 11 . 1 1 13 13 LEU N N 13 123.923 123.923 121.349 2.574 18118 4996 1 11 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.292 -0.060 18118 4997 1 11 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.480 -2.119 18118 4998 1 11 . 1 1 13 13 LEU CB C 13 44.651 44.651 46.123 -1.472 18118 4999 1 11 . 1 1 13 13 LEU H H 13 8.794 8.794 7.651 1.143 18118 5000 1 11 . 1 1 14 14 ILE N N 14 114.563 114.563 116.460 -1.897 18118 5001 1 11 . 1 1 14 14 ILE HA H 14 4.891 4.891 4.724 0.167 18118 5002 1 11 . 1 1 14 14 ILE CA C 14 55.381 55.381 59.366 -3.985 18118 5003 1 11 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.082 -2.764 18118 5004 1 11 . 1 1 14 14 ILE H H 14 8.316 8.316 8.726 -0.410 18118 5005 1 11 . 1 1 15 15 ARG N N 15 122.555 122.555 119.265 3.290 18118 5006 1 11 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.321 0.013 18118 5007 1 11 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.311 -3.018 18118 5008 1 11 . 1 1 15 15 ARG CB C 15 31.850 31.850 35.412 -3.562 18118 5009 1 11 . 1 1 15 15 ARG H H 15 9.231 9.231 8.933 0.298 18118 5010 1 11 . 1 1 16 16 ALA N N 16 127.755 127.755 124.301 3.454 18118 5011 1 11 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.517 0.179 18118 5012 1 11 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.064 -3.289 18118 5013 1 11 . 1 1 16 16 ALA CB C 16 18.337 18.337 22.625 -4.288 18118 5014 1 11 . 1 1 16 16 ALA H H 16 9.005 9.005 8.760 0.245 18118 5015 1 11 . 1 1 17 17 GLN N N 17 121.076 121.076 119.483 1.593 18118 5016 1 11 . 1 1 17 17 GLN HA H 17 5.135 5.135 5.264 -0.129 18118 5017 1 11 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.185 -2.353 18118 5018 1 11 . 1 1 17 17 GLN CB C 17 30.738 30.738 33.227 -2.489 18118 5019 1 11 . 1 1 17 17 GLN H H 17 9.557 9.557 8.960 0.597 18118 5020 1 11 . 1 1 18 18 GLY N N 18 110.950 110.950 107.867 3.083 18118 5021 1 11 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.701 -2.879 18118 5022 1 11 . 1 1 18 18 GLY H H 18 8.294 8.294 8.491 -0.197 18118 5023 1 11 . 1 1 19 19 LEU N N 19 118.809 118.809 120.953 -2.144 18118 5024 1 11 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.401 -0.369 18118 5025 1 11 . 1 1 19 19 LEU CA C 19 50.705 50.705 53.241 -2.536 18118 5026 1 11 . 1 1 19 19 LEU CB C 19 37.568 37.568 41.457 -3.889 18118 5027 1 11 . 1 1 19 19 LEU H H 19 8.292 8.292 7.578 0.714 18118 5028 1 11 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.569 -0.277 18118 5029 1 11 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.617 -2.515 18118 5030 1 11 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.361 -3.162 18118 5031 1 11 . 1 1 21 21 TRP N N 21 124.383 124.383 118.522 5.861 18118 5032 1 11 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.605 0.085 18118 5033 1 11 . 1 1 21 21 TRP CA C 21 56.237 56.237 58.655 -2.418 18118 5034 1 11 . 1 1 21 21 TRP CB C 21 25.965 25.965 28.687 -2.722 18118 5035 1 11 . 1 1 21 21 TRP H H 21 8.527 8.527 7.973 0.554 18118 5036 1 11 . 1 1 22 22 SER N N 22 109.532 109.532 117.469 -7.937 18118 5037 1 11 . 1 1 22 22 SER HA H 22 4.099 4.099 4.310 -0.211 18118 5038 1 11 . 1 1 22 22 SER CA C 22 54.162 54.162 58.113 -3.951 18118 5039 1 11 . 1 1 22 22 SER CB C 22 60.334 60.334 60.917 -0.583 18118 5040 1 11 . 1 1 22 22 SER H H 22 7.436 7.436 7.002 0.434 18118 5041 1 11 . 1 1 23 23 CYS N N 23 119.744 119.744 122.614 -2.870 18118 5042 1 11 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.657 -0.191 18118 5043 1 11 . 1 1 23 23 CYS CA C 23 55.975 55.975 58.632 -2.657 18118 5044 1 11 . 1 1 23 23 CYS CB C 23 25.489 25.489 29.292 -3.803 18118 5045 1 11 . 1 1 23 23 CYS H H 23 7.221 7.221 7.663 -0.442 18118 5046 1 11 . 1 1 24 24 THR N N 24 115.371 115.371 114.261 1.110 18118 5047 1 11 . 1 1 24 24 THR HA H 24 4.697 4.697 4.390 0.307 18118 5048 1 11 . 1 1 24 24 THR CA C 24 57.172 57.172 60.138 -2.966 18118 5049 1 11 . 1 1 24 24 THR CB C 24 56.222 56.222 71.178 -14.956 18118 5050 1 11 . 1 1 24 24 THR H H 24 9.082 9.082 8.270 0.812 18118 5051 1 11 . 1 1 25 25 MET N N 25 118.539 118.539 121.490 -2.951 18118 5052 1 11 . 1 1 25 25 MET HA H 25 4.161 4.161 4.031 0.130 18118 5053 1 11 . 1 1 25 25 MET CA C 25 57.241 57.241 60.473 -3.232 18118 5054 1 11 . 1 1 25 25 MET CB C 25 29.452 29.452 32.599 -3.147 18118 5055 1 11 . 1 1 25 25 MET H H 25 8.794 8.794 8.765 0.029 18118 5056 1 11 . 1 1 26 26 GLU N N 26 118.967 118.967 118.613 0.354 18118 5057 1 11 . 1 1 26 26 GLU HA H 26 3.802 3.802 3.987 -0.185 18118 5058 1 11 . 1 1 26 26 GLU CA C 26 57.247 57.247 59.992 -2.745 18118 5059 1 11 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.656 -1.993 18118 5060 1 11 . 1 1 26 26 GLU H H 26 8.462 8.462 8.740 -0.278 18118 5061 1 11 . 1 1 27 27 ASP N N 27 118.711 118.711 119.141 -0.430 18118 5062 1 11 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.318 -0.019 18118 5063 1 11 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.318 -2.247 18118 5064 1 11 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.229 -1.573 18118 5065 1 11 . 1 1 27 27 ASP H H 27 7.812 7.812 7.562 0.250 18118 5066 1 11 . 1 1 28 28 VAL N N 28 120.825 120.825 119.875 0.950 18118 5067 1 11 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.660 -0.216 18118 5068 1 11 . 1 1 28 28 VAL CA C 28 64.841 64.841 65.944 -1.103 18118 5069 1 11 . 1 1 28 28 VAL CB C 28 29.052 29.052 31.460 -2.408 18118 5070 1 11 . 1 1 28 28 VAL H H 28 7.528 7.528 7.913 -0.385 18118 5071 1 11 . 1 1 29 29 LEU N N 29 120.586 120.586 120.696 -0.110 18118 5072 1 11 . 1 1 29 29 LEU HA H 29 3.778 3.778 4.038 -0.260 18118 5073 1 11 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.270 -2.288 18118 5074 1 11 . 1 1 29 29 LEU CB C 29 38.954 38.954 40.597 -1.643 18118 5075 1 11 . 1 1 29 29 LEU H H 29 8.399 8.399 7.731 0.668 18118 5076 1 11 . 1 1 30 30 ASN N N 30 114.059 114.059 117.412 -3.353 18118 5077 1 11 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.479 -0.081 18118 5078 1 11 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.067 -3.587 18118 5079 1 11 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.430 -2.298 18118 5080 1 11 . 1 1 30 30 ASN H H 30 8.156 8.156 7.883 0.273 18118 5081 1 11 . 1 1 31 31 PHE N N 31 123.816 123.816 122.617 1.199 18118 5082 1 11 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.154 -0.027 18118 5083 1 11 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.805 -1.986 18118 5084 1 11 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.188 -2.012 18118 5085 1 11 . 1 1 31 31 PHE H H 31 8.033 8.033 8.133 -0.100 18118 5086 1 11 . 1 1 32 32 PHE N N 32 115.681 115.681 115.549 0.132 18118 5087 1 11 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.686 -0.033 18118 5088 1 11 . 1 1 32 32 PHE CA C 32 54.039 54.039 54.970 -0.931 18118 5089 1 11 . 1 1 32 32 PHE CB C 32 35.047 35.047 37.556 -2.509 18118 5090 1 11 . 1 1 32 32 PHE H H 32 7.622 7.622 8.545 -0.923 18118 5091 1 11 . 1 1 33 33 SER N N 33 113.797 113.797 117.821 -4.024 18118 5092 1 11 . 1 1 33 33 SER HA H 33 4.111 4.111 4.283 -0.172 18118 5093 1 11 . 1 1 33 33 SER CA C 33 59.041 59.041 61.474 -2.433 18118 5094 1 11 . 1 1 33 33 SER CB C 33 60.339 60.339 63.242 -2.903 18118 5095 1 11 . 1 1 33 33 SER H H 33 6.834 6.834 7.789 -0.955 18118 5096 1 11 . 1 1 34 34 ASP N N 34 119.155 119.155 121.042 -1.887 18118 5097 1 11 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.593 -0.012 18118 5098 1 11 . 1 1 34 34 ASP CA C 34 51.606 51.606 54.822 -3.216 18118 5099 1 11 . 1 1 34 34 ASP CB C 34 37.727 37.727 40.976 -3.249 18118 5100 1 11 . 1 1 34 34 ASP H H 34 8.717 8.717 8.613 0.104 18118 5101 1 11 . 1 1 35 35 CYS N N 35 117.269 117.269 115.332 1.937 18118 5102 1 11 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.764 -0.256 18118 5103 1 11 . 1 1 35 35 CYS CA C 35 54.961 54.961 56.533 -1.572 18118 5104 1 11 . 1 1 35 35 CYS CB C 35 27.986 27.986 30.899 -2.913 18118 5105 1 11 . 1 1 35 35 CYS H H 35 8.009 8.009 7.746 0.263 18118 5106 1 11 . 1 1 36 36 ARG N N 36 123.980 123.980 121.056 2.924 18118 5107 1 11 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.644 -0.355 18118 5108 1 11 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.817 -2.089 18118 5109 1 11 . 1 1 36 36 ARG CB C 36 26.279 26.279 31.626 -5.347 18118 5110 1 11 . 1 1 36 36 ARG H H 36 8.666 8.666 8.651 0.015 18118 5111 1 11 . 1 1 37 37 ILE N N 37 128.014 128.014 125.178 2.836 18118 5112 1 11 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.258 -0.047 18118 5113 1 11 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.321 -2.742 18118 5114 1 11 . 1 1 37 37 ILE CB C 37 36.026 36.026 39.108 -3.082 18118 5115 1 11 . 1 1 37 37 ILE H H 37 8.084 8.084 8.717 -0.633 18118 5116 1 11 . 1 1 38 38 ARG N N 38 133.264 133.264 129.594 3.670 18118 5117 1 11 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.126 -0.281 18118 5118 1 11 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.612 -2.845 18118 5119 1 11 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.338 -2.509 18118 5120 1 11 . 1 1 38 38 ARG H H 38 8.662 8.662 8.657 0.005 18118 5121 1 11 . 1 1 39 39 ASN N N 39 117.723 117.723 120.607 -2.884 18118 5122 1 11 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.335 -0.153 18118 5123 1 11 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.315 -2.613 18118 5124 1 11 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.497 -2.651 18118 5125 1 11 . 1 1 39 39 ASN H H 39 8.992 8.992 9.059 -0.067 18118 5126 1 11 . 1 1 40 40 GLY N N 40 108.314 108.314 107.638 0.676 18118 5127 1 11 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.690 -2.407 18118 5128 1 11 . 1 1 40 40 GLY H H 40 7.949 7.949 8.472 -0.523 18118 5129 1 11 . 1 1 41 41 GLU N N 41 124.398 124.398 122.375 2.023 18118 5130 1 11 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.417 -0.605 18118 5131 1 11 . 1 1 41 41 GLU CA C 41 56.741 56.741 57.501 -0.760 18118 5132 1 11 . 1 1 41 41 GLU CB C 41 26.718 26.718 30.550 -3.832 18118 5133 1 11 . 1 1 41 41 GLU H H 41 9.235 9.235 8.040 1.195 18118 5134 1 11 . 1 1 42 42 ASN N N 42 113.155 113.155 118.848 -5.693 18118 5135 1 11 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.646 -0.139 18118 5136 1 11 . 1 1 42 42 ASN CA C 42 51.901 51.901 55.129 -3.228 18118 5137 1 11 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.825 -2.760 18118 5138 1 11 . 1 1 42 42 ASN H H 42 7.523 7.523 8.135 -0.612 18118 5139 1 11 . 1 1 43 43 GLY N N 43 109.898 109.898 106.631 3.267 18118 5140 1 11 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.947 -2.386 18118 5141 1 11 . 1 1 43 43 GLY H H 43 8.131 8.131 7.602 0.529 18118 5142 1 11 . 1 1 44 44 ILE N N 44 119.116 119.116 121.887 -2.771 18118 5143 1 11 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.332 -0.555 18118 5144 1 11 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.944 -4.664 18118 5145 1 11 . 1 1 44 44 ILE CB C 44 36.145 36.145 38.750 -2.605 18118 5146 1 11 . 1 1 44 44 ILE H H 44 6.715 6.715 7.460 -0.745 18118 5147 1 11 . 1 1 45 45 HIS N N 45 124.064 124.064 128.604 -4.540 18118 5148 1 11 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.736 0.147 18118 5149 1 11 . 1 1 45 45 HIS CA C 45 49.681 49.681 54.597 -4.916 18118 5150 1 11 . 1 1 45 45 HIS CB C 45 25.934 25.934 31.215 -5.281 18118 5151 1 11 . 1 1 45 45 HIS H H 45 8.493 8.493 9.167 -0.674 18118 5152 1 11 . 1 1 46 46 PHE N N 46 123.886 123.886 124.145 -0.259 18118 5153 1 11 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.751 -0.188 18118 5154 1 11 . 1 1 46 46 PHE CA C 46 57.122 57.122 55.850 1.272 18118 5155 1 11 . 1 1 46 46 PHE CB C 46 36.299 36.299 40.102 -3.803 18118 5156 1 11 . 1 1 46 46 PHE H H 46 9.014 9.014 8.074 0.940 18118 5157 1 11 . 1 1 47 47 LEU N N 47 124.343 124.343 117.692 6.651 18118 5158 1 11 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.667 -0.163 18118 5159 1 11 . 1 1 47 47 LEU CA C 47 51.885 51.885 54.414 -2.529 18118 5160 1 11 . 1 1 47 47 LEU CB C 47 38.896 38.896 40.989 -2.094 18118 5161 1 11 . 1 1 47 47 LEU H H 47 8.066 8.066 9.146 -1.080 18118 5162 1 11 . 1 1 48 48 LEU N N 48 122.809 122.809 121.900 0.909 18118 5163 1 11 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.300 0.525 18118 5164 1 11 . 1 1 48 48 LEU CA C 48 50.930 50.930 55.484 -4.554 18118 5165 1 11 . 1 1 48 48 LEU CB C 48 41.655 41.655 42.743 -1.089 18118 5166 1 11 . 1 1 48 48 LEU H H 48 8.754 8.754 7.947 0.807 18118 5167 1 11 . 1 1 49 49 ASN N N 49 119.420 119.420 117.645 1.775 18118 5168 1 11 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.757 0.034 18118 5169 1 11 . 1 1 49 49 ASN CA C 49 48.595 48.595 53.493 -4.898 18118 5170 1 11 . 1 1 49 49 ASN CB C 49 36.735 36.735 40.482 -3.747 18118 5171 1 11 . 1 1 49 49 ASN H H 49 8.757 8.757 8.528 0.229 18118 5172 1 11 . 1 1 50 50 ARG N N 50 119.367 119.367 120.289 -0.922 18118 5173 1 11 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.229 -0.203 18118 5174 1 11 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.181 -2.263 18118 5175 1 11 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.899 -2.705 18118 5176 1 11 . 1 1 50 50 ARG H H 50 8.618 8.618 8.715 -0.097 18118 5177 1 11 . 1 1 51 51 ASP N N 51 116.650 116.650 116.827 -0.177 18118 5178 1 11 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.751 -0.166 18118 5179 1 11 . 1 1 51 51 ASP CA C 51 51.280 51.280 52.929 -1.649 18118 5180 1 11 . 1 1 51 51 ASP CB C 51 38.544 38.544 40.766 -2.222 18118 5181 1 11 . 1 1 51 51 ASP H H 51 7.577 7.577 7.787 -0.210 18118 5182 1 11 . 1 1 52 52 GLY N N 52 107.719 107.719 108.099 -0.380 18118 5183 1 11 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.634 -2.293 18118 5184 1 11 . 1 1 52 52 GLY H H 52 8.171 8.171 8.213 -0.042 18118 5185 1 11 . 1 1 53 53 LYS N N 53 119.174 119.174 118.635 0.539 18118 5186 1 11 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.483 -0.064 18118 5187 1 11 . 1 1 53 53 LYS CA C 53 51.788 51.788 54.611 -2.823 18118 5188 1 11 . 1 1 53 53 LYS CB C 53 30.976 30.976 30.434 0.542 18118 5189 1 11 . 1 1 53 53 LYS H H 53 7.750 7.750 8.469 -0.719 18118 5190 1 11 . 1 1 54 54 ARG N N 54 121.126 121.126 121.107 0.019 18118 5191 1 11 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.223 -0.054 18118 5192 1 11 . 1 1 54 54 ARG CA C 54 54.949 54.949 57.610 -2.661 18118 5193 1 11 . 1 1 54 54 ARG CB C 54 28.054 28.054 31.497 -3.443 18118 5194 1 11 . 1 1 54 54 ARG H H 54 8.570 8.570 7.970 0.600 18118 5195 1 11 . 1 1 55 55 ARG N N 55 121.856 121.856 114.534 7.322 18118 5196 1 11 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.426 -0.385 18118 5197 1 11 . 1 1 55 55 ARG CA C 55 53.172 53.172 55.636 -2.465 18118 5198 1 11 . 1 1 55 55 ARG CB C 55 29.692 29.692 31.749 -2.057 18118 5199 1 11 . 1 1 55 55 ARG H H 55 8.352 8.352 8.122 0.230 18118 5200 1 11 . 1 1 56 56 GLY N N 56 108.554 108.554 107.673 0.881 18118 5201 1 11 . 1 1 56 56 GLY CA C 56 43.461 43.461 45.132 -1.671 18118 5202 1 11 . 1 1 56 56 GLY H H 56 8.683 8.683 8.347 0.336 18118 5203 1 11 . 1 1 57 57 ASP N N 57 117.136 117.136 120.805 -3.669 18118 5204 1 11 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.273 0.484 18118 5205 1 11 . 1 1 57 57 ASP CA C 57 49.244 49.244 53.121 -3.877 18118 5206 1 11 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.024 -2.759 18118 5207 1 11 . 1 1 57 57 ASP H H 57 8.018 8.018 7.945 0.073 18118 5208 1 11 . 1 1 58 58 ALA N N 58 122.425 122.425 119.199 3.226 18118 5209 1 11 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.834 0.271 18118 5210 1 11 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.411 -3.053 18118 5211 1 11 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.495 -3.051 18118 5212 1 11 . 1 1 58 58 ALA H H 58 9.137 9.137 8.045 1.092 18118 5213 1 11 . 1 1 59 59 LEU N N 59 121.454 121.454 120.413 1.041 18118 5214 1 11 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.048 0.199 18118 5215 1 11 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.552 -3.194 18118 5216 1 11 . 1 1 59 59 LEU CB C 59 42.166 42.166 44.733 -2.567 18118 5217 1 11 . 1 1 59 59 LEU H H 59 8.604 8.604 8.690 -0.086 18118 5218 1 11 . 1 1 60 60 ILE N N 60 123.974 123.974 120.528 3.446 18118 5219 1 11 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.722 0.116 18118 5220 1 11 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.943 -1.559 18118 5221 1 11 . 1 1 60 60 ILE CB C 60 38.147 38.147 40.407 -2.260 18118 5222 1 11 . 1 1 60 60 ILE H H 60 9.081 9.081 8.923 0.158 18118 5223 1 11 . 1 1 61 61 GLU N N 61 126.177 126.177 126.631 -0.454 18118 5224 1 11 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.549 -0.004 18118 5225 1 11 . 1 1 61 61 GLU CA C 61 52.464 52.464 56.380 -3.916 18118 5226 1 11 . 1 1 61 61 GLU CB C 61 29.517 29.517 31.022 -1.505 18118 5227 1 11 . 1 1 61 61 GLU H H 61 8.832 8.832 8.766 0.066 18118 5228 1 11 . 1 1 62 62 MET N N 62 121.191 121.191 125.627 -4.436 18118 5229 1 11 . 1 1 62 62 MET HA H 62 5.131 5.131 4.611 0.520 18118 5230 1 11 . 1 1 62 62 MET CA C 62 49.938 49.938 53.770 -3.832 18118 5231 1 11 . 1 1 62 62 MET CB C 62 30.874 30.874 35.086 -4.212 18118 5232 1 11 . 1 1 62 62 MET H H 62 8.854 8.854 8.730 0.124 18118 5233 1 11 . 1 1 63 63 GLU N N 63 117.598 117.598 120.904 -3.306 18118 5234 1 11 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.178 -0.107 18118 5235 1 11 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.792 -1.637 18118 5236 1 11 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.460 -2.380 18118 5237 1 11 . 1 1 63 63 GLU H H 63 8.092 8.092 8.562 -0.470 18118 5238 1 11 . 1 1 64 64 SER N N 64 109.627 109.627 109.333 0.294 18118 5239 1 11 . 1 1 64 64 SER HA H 64 4.113 4.113 3.296 0.817 18118 5240 1 11 . 1 1 64 64 SER CA C 64 54.607 54.607 56.484 -1.877 18118 5241 1 11 . 1 1 64 64 SER CB C 64 65.273 65.273 65.814 -0.541 18118 5242 1 11 . 1 1 64 64 SER H H 64 7.710 7.710 7.241 0.469 18118 5243 1 11 . 1 1 65 65 GLU N N 65 121.394 121.394 121.035 0.359 18118 5244 1 11 . 1 1 65 65 GLU HA H 65 3.485 3.485 3.944 -0.459 18118 5245 1 11 . 1 1 65 65 GLU CA C 65 56.100 56.100 59.892 -3.792 18118 5246 1 11 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.741 -3.459 18118 5247 1 11 . 1 1 65 65 GLU H H 65 8.364 8.364 8.021 0.343 18118 5248 1 11 . 1 1 66 66 GLN N N 66 118.987 118.987 117.338 1.649 18118 5249 1 11 . 1 1 66 66 GLN HA H 66 3.902 3.902 3.906 -0.004 18118 5250 1 11 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.719 -3.281 18118 5251 1 11 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.167 -2.773 18118 5252 1 11 . 1 1 66 66 GLN H H 66 7.979 7.979 8.487 -0.508 18118 5253 1 11 . 1 1 67 67 ASP N N 67 118.539 118.539 118.339 0.200 18118 5254 1 11 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.405 -0.071 18118 5255 1 11 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.924 -1.197 18118 5256 1 11 . 1 1 67 67 ASP CB C 67 41.607 41.607 40.570 1.037 18118 5257 1 11 . 1 1 67 67 ASP H H 67 7.325 7.325 7.697 -0.372 18118 5258 1 11 . 1 1 68 68 VAL N N 68 119.502 119.502 120.987 -1.485 18118 5259 1 11 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.587 -0.412 18118 5260 1 11 . 1 1 68 68 VAL CA C 68 64.830 64.830 65.760 -0.930 18118 5261 1 11 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.613 -2.779 18118 5262 1 11 . 1 1 68 68 VAL H H 68 7.165 7.165 7.346 -0.181 18118 5263 1 11 . 1 1 69 69 GLN N N 69 115.899 115.899 118.682 -2.783 18118 5264 1 11 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.875 -0.141 18118 5265 1 11 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.593 -2.189 18118 5266 1 11 . 1 1 69 69 GLN CB C 69 25.212 25.212 28.037 -2.825 18118 5267 1 11 . 1 1 69 69 GLN H H 69 7.718 7.718 8.480 -0.762 18118 5268 1 11 . 1 1 70 70 LYS N N 70 118.403 118.403 117.869 0.534 18118 5269 1 11 . 1 1 70 70 LYS HA H 70 3.928 3.928 3.971 -0.043 18118 5270 1 11 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.627 -2.690 18118 5271 1 11 . 1 1 70 70 LYS CB C 70 29.946 29.946 31.883 -1.937 18118 5272 1 11 . 1 1 70 70 LYS H H 70 7.767 7.767 7.563 0.204 18118 5273 1 11 . 1 1 71 71 ALA N N 71 124.650 124.650 120.079 4.571 18118 5274 1 11 . 1 1 71 71 ALA HA H 71 4.027 4.027 3.762 0.265 18118 5275 1 11 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.335 -1.592 18118 5276 1 11 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.414 -2.300 18118 5277 1 11 . 1 1 71 71 ALA H H 71 8.160 8.160 6.915 1.245 18118 5278 1 11 . 1 1 72 72 LEU N N 72 116.557 116.557 117.827 -1.270 18118 5279 1 11 . 1 1 72 72 LEU HA H 72 3.794 3.794 3.990 -0.196 18118 5280 1 11 . 1 1 72 72 LEU CA C 72 54.664 54.664 56.688 -2.024 18118 5281 1 11 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.126 -2.293 18118 5282 1 11 . 1 1 72 72 LEU H H 72 8.055 8.055 7.889 0.166 18118 5283 1 11 . 1 1 73 73 GLU N N 73 117.807 117.807 118.198 -0.391 18118 5284 1 11 . 1 1 73 73 GLU HA H 73 4.090 4.090 4.065 0.025 18118 5285 1 11 . 1 1 73 73 GLU CA C 73 55.462 55.462 58.955 -3.493 18118 5286 1 11 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.565 -2.759 18118 5287 1 11 . 1 1 73 73 GLU H H 73 7.369 7.369 7.891 -0.522 18118 5288 1 11 . 1 1 74 74 LYS N N 74 116.715 116.715 115.910 0.805 18118 5289 1 11 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.685 -0.493 18118 5290 1 11 . 1 1 74 74 LYS CA C 74 51.741 51.741 55.081 -3.340 18118 5291 1 11 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.534 -3.070 18118 5292 1 11 . 1 1 74 74 LYS H H 74 7.805 7.805 7.472 0.333 18118 5293 1 11 . 1 1 75 75 HIS N N 75 117.177 117.177 118.666 -1.489 18118 5294 1 11 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.370 -0.042 18118 5295 1 11 . 1 1 75 75 HIS CA C 75 55.811 55.811 58.439 -2.628 18118 5296 1 11 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.914 -0.331 18118 5297 1 11 . 1 1 75 75 HIS H H 75 7.184 7.184 8.087 -0.903 18118 5298 1 11 . 1 1 76 76 ARG N N 76 121.753 121.753 117.439 4.314 18118 5299 1 11 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.458 -0.152 18118 5300 1 11 . 1 1 76 76 ARG CA C 76 55.719 55.719 54.929 0.790 18118 5301 1 11 . 1 1 76 76 ARG CB C 76 33.288 33.288 30.207 3.081 18118 5302 1 11 . 1 1 76 76 ARG H H 76 9.042 9.042 8.004 1.038 18118 5303 1 11 . 1 1 77 77 MET N N 77 117.206 117.206 120.007 -2.801 18118 5304 1 11 . 1 1 77 77 MET HA H 77 4.598 4.598 4.388 0.210 18118 5305 1 11 . 1 1 77 77 MET CA C 77 52.590 52.590 55.472 -2.882 18118 5306 1 11 . 1 1 77 77 MET CB C 77 31.234 31.234 33.628 -2.394 18118 5307 1 11 . 1 1 77 77 MET H H 77 7.835 7.835 7.766 0.069 18118 5308 1 11 . 1 1 78 78 TYR N N 78 117.960 117.960 118.399 -0.439 18118 5309 1 11 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.255 0.347 18118 5310 1 11 . 1 1 78 78 TYR CA C 78 56.028 56.028 59.143 -3.115 18118 5311 1 11 . 1 1 78 78 TYR CB C 78 37.334 37.334 39.506 -2.172 18118 5312 1 11 . 1 1 78 78 TYR H H 78 8.359 8.359 8.312 0.047 18118 5313 1 11 . 1 1 79 79 MET N N 79 124.673 124.673 124.643 0.030 18118 5314 1 11 . 1 1 79 79 MET HA H 79 4.325 4.325 4.710 -0.385 18118 5315 1 11 . 1 1 79 79 MET CA C 79 52.338 52.338 53.233 -0.895 18118 5316 1 11 . 1 1 79 79 MET CB C 79 31.907 31.907 31.792 0.115 18118 5317 1 11 . 1 1 79 79 MET H H 79 8.642 8.642 8.703 -0.061 18118 5318 1 11 . 1 1 80 80 GLY N N 80 115.191 115.191 114.888 0.303 18118 5319 1 11 . 1 1 80 80 GLY CA C 80 44.426 44.426 46.914 -2.488 18118 5320 1 11 . 1 1 80 80 GLY H H 80 8.709 8.709 8.567 0.142 18118 5321 1 11 . 1 1 81 81 GLN N N 81 121.981 121.981 121.249 0.732 18118 5322 1 11 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.335 -0.188 18118 5323 1 11 . 1 1 81 81 GLN CA C 81 53.557 53.557 56.148 -2.591 18118 5324 1 11 . 1 1 81 81 GLN CB C 81 26.736 26.736 28.649 -1.913 18118 5325 1 11 . 1 1 81 81 GLN H H 81 8.598 8.598 8.417 0.181 18118 5326 1 11 . 1 1 82 82 ARG N N 82 118.652 118.652 120.801 -2.149 18118 5327 1 11 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.764 -0.264 18118 5328 1 11 . 1 1 82 82 ARG CA C 82 51.593 51.593 54.051 -2.458 18118 5329 1 11 . 1 1 82 82 ARG CB C 82 29.507 29.507 32.359 -2.852 18118 5330 1 11 . 1 1 82 82 ARG H H 82 7.660 7.660 8.241 -0.581 18118 5331 1 11 . 1 1 84 84 VAL N N 84 125.216 125.216 122.282 2.934 18118 5332 1 11 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.410 -0.092 18118 5333 1 11 . 1 1 84 84 VAL CA C 84 58.647 58.647 59.828 -1.181 18118 5334 1 11 . 1 1 84 84 VAL CB C 84 31.015 31.015 35.549 -4.534 18118 5335 1 11 . 1 1 84 84 VAL H H 84 8.222 8.222 7.910 0.312 18118 5336 1 11 . 1 1 86 86 VAL N N 86 120.000 120.000 122.202 -2.202 18118 5337 1 11 . 1 1 86 86 VAL HA H 86 4.807 4.807 4.754 0.053 18118 5338 1 11 . 1 1 86 86 VAL CA C 86 58.928 58.928 61.544 -2.616 18118 5339 1 11 . 1 1 86 86 VAL CB C 86 33.201 33.201 33.829 -0.628 18118 5340 1 11 . 1 1 87 87 TYR N N 87 120.377 120.377 123.988 -3.611 18118 5341 1 11 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.864 -0.240 18118 5342 1 11 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.581 -3.137 18118 5343 1 11 . 1 1 87 87 TYR CB C 87 40.105 40.105 43.472 -3.367 18118 5344 1 11 . 1 1 87 87 TYR H H 87 8.731 8.731 9.027 -0.296 18118 5345 1 11 . 1 1 88 88 GLU N N 88 122.304 122.304 122.118 0.186 18118 5346 1 11 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.286 0.064 18118 5347 1 11 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.555 -2.915 18118 5348 1 11 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.348 -1.918 18118 5349 1 11 . 1 1 88 88 GLU H H 88 8.873 8.873 8.553 0.320 18118 5350 1 11 . 1 1 89 89 ILE N N 89 125.082 125.082 118.538 6.544 18118 5351 1 11 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.450 -0.192 18118 5352 1 11 . 1 1 89 89 ILE CA C 89 55.831 55.831 58.911 -3.080 18118 5353 1 11 . 1 1 89 89 ILE CB C 89 34.985 34.985 40.921 -5.936 18118 5354 1 11 . 1 1 89 89 ILE H H 89 7.983 7.983 8.131 -0.148 18118 5355 1 11 . 1 1 90 90 ASN N N 90 126.142 126.142 121.746 4.396 18118 5356 1 11 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.834 -0.243 18118 5357 1 11 . 1 1 90 90 ASN CA C 90 50.615 50.615 52.544 -1.929 18118 5358 1 11 . 1 1 90 90 ASN CB C 90 36.638 36.638 40.501 -3.863 18118 5359 1 11 . 1 1 90 90 ASN H H 90 8.890 8.890 8.613 0.277 18118 5360 1 11 . 1 1 91 91 ASN N N 91 121.333 121.333 120.458 0.875 18118 5361 1 11 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.331 -0.035 18118 5362 1 11 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.615 -2.665 18118 5363 1 11 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.429 -2.124 18118 5364 1 11 . 1 1 91 91 ASN H H 91 8.867 8.867 9.005 -0.138 18118 5365 1 11 . 1 1 92 92 GLU N N 92 117.848 117.848 118.501 -0.653 18118 5366 1 11 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.101 -0.009 18118 5367 1 11 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.728 -3.177 18118 5368 1 11 . 1 1 92 92 GLU CB C 92 26.767 26.767 29.068 -2.301 18118 5369 1 11 . 1 1 92 92 GLU H H 92 8.869 8.869 8.640 0.229 18118 5370 1 11 . 1 1 93 93 ASP N N 93 118.819 118.819 117.198 1.621 18118 5371 1 11 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.748 -0.096 18118 5372 1 11 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.188 -2.051 18118 5373 1 11 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.705 -2.183 18118 5374 1 11 . 1 1 93 93 ASP H H 93 7.965 7.965 7.865 0.100 18118 5375 1 11 . 1 1 94 94 VAL N N 94 120.480 120.480 121.447 -0.967 18118 5376 1 11 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.624 -0.350 18118 5377 1 11 . 1 1 94 94 VAL CA C 94 64.179 64.179 66.628 -2.449 18118 5378 1 11 . 1 1 94 94 VAL CB C 94 29.477 29.477 31.502 -2.025 18118 5379 1 11 . 1 1 94 94 VAL H H 94 7.406 7.406 7.175 0.231 18118 5380 1 11 . 1 1 95 95 ASP N N 95 119.806 119.806 119.254 0.552 18118 5381 1 11 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.298 -0.143 18118 5382 1 11 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.781 -2.564 18118 5383 1 11 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.697 -2.070 18118 5384 1 11 . 1 1 95 95 ASP H H 95 8.342 8.342 7.804 0.538 18118 5385 1 11 . 1 1 96 96 ALA N N 96 119.946 119.946 120.868 -0.922 18118 5386 1 11 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.376 -0.450 18118 5387 1 11 . 1 1 96 96 ALA CA C 96 52.140 52.140 53.959 -1.819 18118 5388 1 11 . 1 1 96 96 ALA CB C 96 15.676 15.676 19.071 -3.395 18118 5389 1 11 . 1 1 96 96 ALA H H 96 8.162 8.162 7.209 0.953 18118 5390 1 11 . 1 1 97 97 LEU N N 97 119.391 119.391 120.575 -1.184 18118 5391 1 11 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.830 0.155 18118 5392 1 11 . 1 1 97 97 LEU CA C 97 54.831 54.831 58.284 -3.453 18118 5393 1 11 . 1 1 97 97 LEU CB C 97 39.438 39.438 41.935 -2.498 18118 5394 1 11 . 1 1 97 97 LEU H H 97 7.679 7.679 8.678 -0.999 18118 5395 1 11 . 1 1 98 98 MET N N 98 118.055 118.055 116.525 1.530 18118 5396 1 11 . 1 1 98 98 MET HA H 98 4.128 4.128 4.257 -0.129 18118 5397 1 11 . 1 1 98 98 MET CA C 98 54.606 54.606 58.267 -3.661 18118 5398 1 11 . 1 1 98 98 MET CB C 98 27.902 27.902 32.176 -4.274 18118 5399 1 11 . 1 1 98 98 MET H H 98 8.504 8.504 7.905 0.599 18118 5400 1 11 . 1 1 99 99 LYS N N 99 119.351 119.351 118.751 0.600 18118 5401 1 11 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.206 -0.235 18118 5402 1 11 . 1 1 99 99 LYS CA C 99 56.301 56.301 58.455 -2.154 18118 5403 1 11 . 1 1 99 99 LYS CB C 99 29.692 29.692 32.399 -2.707 18118 5404 1 11 . 1 1 99 99 LYS H H 99 7.986 7.986 7.707 0.279 18118 5405 1 11 . 1 1 100 100 SER N N 100 114.964 114.964 117.845 -2.881 18118 5406 1 11 . 1 1 100 100 SER HA H 100 4.268 4.268 4.252 0.016 18118 5407 1 11 . 1 1 100 100 SER CA C 100 57.764 57.764 61.052 -3.288 18118 5408 1 11 . 1 1 100 100 SER CB C 100 60.753 60.753 63.374 -2.621 18118 5409 1 11 . 1 1 100 100 SER H H 100 7.711 7.711 7.890 -0.179 18118 5410 1 11 . 1 1 101 101 LEU N N 101 120.679 120.679 119.436 1.243 18118 5411 1 11 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.309 -0.149 18118 5412 1 11 . 1 1 101 101 LEU CA C 101 52.893 52.893 54.441 -1.548 18118 5413 1 11 . 1 1 101 101 LEU CB C 101 39.541 39.541 40.740 -1.199 18118 5414 1 11 . 1 1 101 101 LEU H H 101 7.405 7.405 7.546 -0.141 18118 5415 1 11 . 1 1 102 102 GLN N N 102 117.646 117.646 118.567 -0.921 18118 5416 1 11 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.403 -0.208 18118 5417 1 11 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.760 -2.400 18118 5418 1 11 . 1 1 102 102 GLN CB C 102 26.480 26.480 28.790 -2.309 18118 5419 1 11 . 1 1 102 102 GLN H H 102 7.588 7.588 7.581 0.007 18118 5420 1 11 . 1 1 103 103 VAL N N 103 120.269 120.269 119.483 0.786 18118 5421 1 11 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.326 -0.311 18118 5422 1 11 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.351 -2.596 18118 5423 1 11 . 1 1 103 103 VAL CB C 103 30.579 30.579 31.614 -1.035 18118 5424 1 11 . 1 1 103 103 VAL H H 103 7.839 7.839 7.543 0.296 18118 5425 1 11 . 1 1 104 104 LYS N N 104 125.201 125.201 126.836 -1.635 18118 5426 1 11 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.552 -0.209 18118 5427 1 11 . 1 1 104 104 LYS CA C 104 53.348 53.348 56.439 -3.091 18118 5428 1 11 . 1 1 104 104 LYS CB C 104 30.634 30.634 32.987 -2.353 18118 5429 1 11 . 1 1 104 104 LYS H H 104 8.364 8.364 8.513 -0.149 18118 5430 1 11 . 1 1 105 105 SER N N 105 117.664 117.664 117.747 -0.083 18118 5431 1 11 . 1 1 105 105 SER HA H 105 4.401 4.401 4.731 -0.330 18118 5432 1 11 . 1 1 105 105 SER CA C 105 55.611 55.611 57.620 -2.009 18118 5433 1 11 . 1 1 105 105 SER CB C 105 61.286 61.286 63.971 -2.685 18118 5434 1 11 . 1 1 105 105 SER H H 105 8.354 8.354 8.689 -0.335 18118 5435 1 12 . 1 1 2 2 SER N N 2 118.867 118.867 115.806 3.061 18118 5436 1 12 . 1 1 2 2 SER HA H 2 4.707 4.707 4.399 0.308 18118 5437 1 12 . 1 1 2 2 SER CA C 2 55.678 55.678 59.693 -4.015 18118 5438 1 12 . 1 1 2 2 SER CB C 2 61.009 61.009 63.535 -2.526 18118 5439 1 12 . 1 1 2 2 SER H H 2 8.195 8.195 8.107 0.088 18118 5440 1 12 . 1 1 3 3 LYS N N 3 123.188 123.188 124.709 -1.521 18118 5441 1 12 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.355 -2.647 18118 5442 1 12 . 1 1 3 3 LYS CB C 3 30.374 30.374 33.958 -3.584 18118 5443 1 12 . 1 1 3 3 LYS H H 3 8.427 8.427 8.431 -0.004 18118 5444 1 12 . 1 1 4 4 LEU N N 4 123.342 123.342 123.048 0.294 18118 5445 1 12 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.704 -0.500 18118 5446 1 12 . 1 1 4 4 LEU CA C 4 52.990 52.990 54.597 -1.607 18118 5447 1 12 . 1 1 4 4 LEU CB C 4 39.667 39.667 44.567 -4.900 18118 5448 1 12 . 1 1 4 4 LEU H H 4 8.311 8.311 8.255 0.056 18118 5449 1 12 . 1 1 5 5 GLU N N 5 120.431 120.431 119.606 0.825 18118 5450 1 12 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.408 -0.251 18118 5451 1 12 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.299 -2.069 18118 5452 1 12 . 1 1 5 5 GLU CB C 5 27.847 27.847 30.760 -2.913 18118 5453 1 12 . 1 1 5 5 GLU H H 5 8.321 8.321 8.752 -0.431 18118 5454 1 12 . 1 1 6 6 GLU N N 6 120.027 120.027 120.655 -0.628 18118 5455 1 12 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.500 -0.309 18118 5456 1 12 . 1 1 6 6 GLU CA C 6 53.842 53.842 55.906 -2.064 18118 5457 1 12 . 1 1 6 6 GLU CB C 6 27.723 27.723 30.431 -2.708 18118 5458 1 12 . 1 1 6 6 GLU H H 6 8.177 8.177 7.928 0.249 18118 5459 1 12 . 1 1 7 7 GLU N N 7 121.663 121.663 120.964 0.699 18118 5460 1 12 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.585 -0.394 18118 5461 1 12 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.200 -2.521 18118 5462 1 12 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.535 -1.987 18118 5463 1 12 . 1 1 7 7 GLU H H 7 8.228 8.228 8.668 -0.440 18118 5464 1 12 . 1 1 8 8 VAL N N 8 120.733 120.733 119.441 1.292 18118 5465 1 12 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.359 -0.273 18118 5466 1 12 . 1 1 8 8 VAL CA C 8 59.139 59.139 60.915 -1.776 18118 5467 1 12 . 1 1 8 8 VAL CB C 8 30.700 30.700 33.151 -2.451 18118 5468 1 12 . 1 1 8 8 VAL H H 8 8.102 8.102 7.661 0.441 18118 5469 1 12 . 1 1 9 9 ASP N N 9 124.190 124.190 119.961 4.229 18118 5470 1 12 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.659 -0.102 18118 5471 1 12 . 1 1 9 9 ASP CA C 9 51.180 51.180 53.834 -2.654 18118 5472 1 12 . 1 1 9 9 ASP CB C 9 38.781 38.781 42.364 -3.583 18118 5473 1 12 . 1 1 9 9 ASP H H 9 8.313 8.313 8.339 -0.026 18118 5474 1 12 . 1 1 10 10 ASP N N 10 120.966 120.966 120.256 0.710 18118 5475 1 12 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.425 -0.046 18118 5476 1 12 . 1 1 10 10 ASP CA C 10 51.555 51.555 54.071 -2.516 18118 5477 1 12 . 1 1 10 10 ASP CB C 10 39.138 39.138 39.441 -0.303 18118 5478 1 12 . 1 1 10 10 ASP H H 10 8.106 8.106 8.462 -0.356 18118 5479 1 12 . 1 1 11 11 VAL N N 11 119.321 119.321 118.309 1.012 18118 5480 1 12 . 1 1 11 11 VAL HA H 11 3.919 3.919 4.101 -0.182 18118 5481 1 12 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.514 -2.793 18118 5482 1 12 . 1 1 11 11 VAL CB C 11 31.300 31.300 33.135 -1.835 18118 5483 1 12 . 1 1 11 11 VAL H H 11 7.528 7.528 7.596 -0.068 18118 5484 1 12 . 1 1 12 12 PHE N N 12 125.723 125.723 125.467 0.256 18118 5485 1 12 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.735 -0.149 18118 5486 1 12 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.785 -2.021 18118 5487 1 12 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.647 -0.949 18118 5488 1 12 . 1 1 12 12 PHE H H 12 8.573 8.573 8.596 -0.023 18118 5489 1 12 . 1 1 13 13 LEU N N 13 123.923 123.923 120.503 3.420 18118 5490 1 12 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.246 -0.014 18118 5491 1 12 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.296 -1.935 18118 5492 1 12 . 1 1 13 13 LEU CB C 13 44.651 44.651 46.402 -1.751 18118 5493 1 12 . 1 1 13 13 LEU H H 13 8.794 8.794 7.669 1.125 18118 5494 1 12 . 1 1 14 14 ILE N N 14 114.563 114.563 114.856 -0.293 18118 5495 1 12 . 1 1 14 14 ILE HA H 14 4.891 4.891 5.074 -0.183 18118 5496 1 12 . 1 1 14 14 ILE CA C 14 55.381 55.381 58.898 -3.517 18118 5497 1 12 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.790 -3.472 18118 5498 1 12 . 1 1 14 14 ILE H H 14 8.316 8.316 8.635 -0.319 18118 5499 1 12 . 1 1 15 15 ARG N N 15 122.555 122.555 120.838 1.717 18118 5500 1 12 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.190 0.144 18118 5501 1 12 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.399 -3.106 18118 5502 1 12 . 1 1 15 15 ARG CB C 15 31.850 31.850 34.809 -2.959 18118 5503 1 12 . 1 1 15 15 ARG H H 15 9.231 9.231 9.088 0.143 18118 5504 1 12 . 1 1 16 16 ALA N N 16 127.755 127.755 130.069 -2.314 18118 5505 1 12 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.000 0.696 18118 5506 1 12 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.576 -3.801 18118 5507 1 12 . 1 1 16 16 ALA CB C 16 18.337 18.337 20.374 -2.037 18118 5508 1 12 . 1 1 16 16 ALA H H 16 9.005 9.005 9.047 -0.042 18118 5509 1 12 . 1 1 17 17 GLN N N 17 121.076 121.076 125.177 -4.101 18118 5510 1 12 . 1 1 17 17 GLN HA H 17 5.135 5.135 4.744 0.391 18118 5511 1 12 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.787 -2.955 18118 5512 1 12 . 1 1 17 17 GLN CB C 17 30.738 30.738 30.020 0.718 18118 5513 1 12 . 1 1 17 17 GLN H H 17 9.557 9.557 8.842 0.715 18118 5514 1 12 . 1 1 18 18 GLY N N 18 110.950 110.950 105.879 5.071 18118 5515 1 12 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.426 -2.604 18118 5516 1 12 . 1 1 18 18 GLY H H 18 8.294 8.294 8.427 -0.133 18118 5517 1 12 . 1 1 19 19 LEU N N 19 118.809 118.809 120.949 -2.140 18118 5518 1 12 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.266 -0.234 18118 5519 1 12 . 1 1 19 19 LEU CA C 19 50.705 50.705 53.664 -2.959 18118 5520 1 12 . 1 1 19 19 LEU CB C 19 37.568 37.568 41.263 -3.695 18118 5521 1 12 . 1 1 19 19 LEU H H 19 8.292 8.292 7.450 0.842 18118 5522 1 12 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.170 0.122 18118 5523 1 12 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.642 -2.541 18118 5524 1 12 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.308 -3.109 18118 5525 1 12 . 1 1 21 21 TRP N N 21 124.383 124.383 120.353 4.030 18118 5526 1 12 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.469 0.221 18118 5527 1 12 . 1 1 21 21 TRP CA C 21 56.237 56.237 58.663 -2.426 18118 5528 1 12 . 1 1 21 21 TRP CB C 21 25.965 25.965 28.709 -2.744 18118 5529 1 12 . 1 1 21 21 TRP H H 21 8.527 8.527 7.937 0.590 18118 5530 1 12 . 1 1 22 22 SER N N 22 109.532 109.532 117.345 -7.813 18118 5531 1 12 . 1 1 22 22 SER HA H 22 4.099 4.099 4.464 -0.365 18118 5532 1 12 . 1 1 22 22 SER CA C 22 54.162 54.162 58.581 -4.419 18118 5533 1 12 . 1 1 22 22 SER CB C 22 60.334 60.334 61.658 -1.324 18118 5534 1 12 . 1 1 22 22 SER H H 22 7.436 7.436 8.310 -0.874 18118 5535 1 12 . 1 1 23 23 CYS N N 23 119.744 119.744 122.827 -3.083 18118 5536 1 12 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.339 0.127 18118 5537 1 12 . 1 1 23 23 CYS CA C 23 55.975 55.975 60.214 -4.239 18118 5538 1 12 . 1 1 23 23 CYS CB C 23 25.489 25.489 29.580 -4.091 18118 5539 1 12 . 1 1 23 23 CYS H H 23 7.221 7.221 8.000 -0.779 18118 5540 1 12 . 1 1 24 24 THR N N 24 115.371 115.371 120.908 -5.537 18118 5541 1 12 . 1 1 24 24 THR HA H 24 4.697 4.697 4.663 0.034 18118 5542 1 12 . 1 1 24 24 THR CA C 24 57.172 57.172 61.544 -4.372 18118 5543 1 12 . 1 1 24 24 THR CB C 24 56.222 56.222 70.887 -14.665 18118 5544 1 12 . 1 1 24 24 THR H H 24 9.082 9.082 8.108 0.974 18118 5545 1 12 . 1 1 25 25 MET N N 25 118.539 118.539 121.441 -2.902 18118 5546 1 12 . 1 1 25 25 MET HA H 25 4.161 4.161 4.263 -0.102 18118 5547 1 12 . 1 1 25 25 MET CA C 25 57.241 57.241 59.032 -1.791 18118 5548 1 12 . 1 1 25 25 MET CB C 25 29.452 29.452 32.362 -2.910 18118 5549 1 12 . 1 1 25 25 MET H H 25 8.794 8.794 9.002 -0.208 18118 5550 1 12 . 1 1 26 26 GLU N N 26 118.967 118.967 119.378 -0.411 18118 5551 1 12 . 1 1 26 26 GLU HA H 26 3.802 3.802 4.036 -0.234 18118 5552 1 12 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.245 -2.998 18118 5553 1 12 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.765 -2.102 18118 5554 1 12 . 1 1 26 26 GLU H H 26 8.462 8.462 8.680 -0.218 18118 5555 1 12 . 1 1 27 27 ASP N N 27 118.711 118.711 119.667 -0.956 18118 5556 1 12 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.375 -0.076 18118 5557 1 12 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.157 -2.086 18118 5558 1 12 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.601 -1.945 18118 5559 1 12 . 1 1 27 27 ASP H H 27 7.812 7.812 7.704 0.108 18118 5560 1 12 . 1 1 28 28 VAL N N 28 120.825 120.825 119.964 0.861 18118 5561 1 12 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.724 -0.280 18118 5562 1 12 . 1 1 28 28 VAL CA C 28 64.841 64.841 65.577 -0.736 18118 5563 1 12 . 1 1 28 28 VAL CB C 28 29.052 29.052 31.764 -2.712 18118 5564 1 12 . 1 1 28 28 VAL H H 28 7.528 7.528 7.296 0.232 18118 5565 1 12 . 1 1 29 29 LEU N N 29 120.586 120.586 121.365 -0.779 18118 5566 1 12 . 1 1 29 29 LEU HA H 29 3.778 3.778 3.888 -0.110 18118 5567 1 12 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.448 -2.466 18118 5568 1 12 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.744 -2.790 18118 5569 1 12 . 1 1 29 29 LEU H H 29 8.399 8.399 8.405 -0.006 18118 5570 1 12 . 1 1 30 30 ASN N N 30 114.059 114.059 116.827 -2.768 18118 5571 1 12 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.423 -0.025 18118 5572 1 12 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.461 -3.981 18118 5573 1 12 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.637 -2.505 18118 5574 1 12 . 1 1 30 30 ASN H H 30 8.156 8.156 7.783 0.373 18118 5575 1 12 . 1 1 31 31 PHE N N 31 123.816 123.816 122.514 1.302 18118 5576 1 12 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.033 0.094 18118 5577 1 12 . 1 1 31 31 PHE CA C 31 58.819 58.819 61.097 -2.278 18118 5578 1 12 . 1 1 31 31 PHE CB C 31 37.176 37.176 38.950 -1.774 18118 5579 1 12 . 1 1 31 31 PHE H H 31 8.033 8.033 8.398 -0.365 18118 5580 1 12 . 1 1 32 32 PHE N N 32 115.681 115.681 114.797 0.884 18118 5581 1 12 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.555 0.098 18118 5582 1 12 . 1 1 32 32 PHE CA C 32 54.039 54.039 55.237 -1.198 18118 5583 1 12 . 1 1 32 32 PHE CB C 32 35.047 35.047 37.205 -2.158 18118 5584 1 12 . 1 1 32 32 PHE H H 32 7.622 7.622 8.341 -0.719 18118 5585 1 12 . 1 1 33 33 SER N N 33 113.797 113.797 117.527 -3.730 18118 5586 1 12 . 1 1 33 33 SER HA H 33 4.111 4.111 4.208 -0.097 18118 5587 1 12 . 1 1 33 33 SER CA C 33 59.041 59.041 61.665 -2.624 18118 5588 1 12 . 1 1 33 33 SER CB C 33 60.339 60.339 63.411 -3.072 18118 5589 1 12 . 1 1 33 33 SER H H 33 6.834 6.834 7.837 -1.003 18118 5590 1 12 . 1 1 34 34 ASP N N 34 119.155 119.155 120.944 -1.789 18118 5591 1 12 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.775 -0.194 18118 5592 1 12 . 1 1 34 34 ASP CA C 34 51.606 51.606 55.337 -3.731 18118 5593 1 12 . 1 1 34 34 ASP CB C 34 37.727 37.727 41.481 -3.754 18118 5594 1 12 . 1 1 34 34 ASP H H 34 8.717 8.717 8.562 0.155 18118 5595 1 12 . 1 1 35 35 CYS N N 35 117.269 117.269 115.175 2.094 18118 5596 1 12 . 1 1 35 35 CYS HA H 35 4.508 4.508 5.039 -0.531 18118 5597 1 12 . 1 1 35 35 CYS CA C 35 54.961 54.961 55.429 -0.468 18118 5598 1 12 . 1 1 35 35 CYS CB C 35 27.986 27.986 31.274 -3.288 18118 5599 1 12 . 1 1 35 35 CYS H H 35 8.009 8.009 7.737 0.272 18118 5600 1 12 . 1 1 36 36 ARG N N 36 123.980 123.980 121.197 2.783 18118 5601 1 12 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.633 -0.344 18118 5602 1 12 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.679 -1.951 18118 5603 1 12 . 1 1 36 36 ARG CB C 36 26.279 26.279 30.395 -4.116 18118 5604 1 12 . 1 1 36 36 ARG H H 36 8.666 8.666 8.541 0.125 18118 5605 1 12 . 1 1 37 37 ILE N N 37 128.014 128.014 124.655 3.359 18118 5606 1 12 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.088 0.123 18118 5607 1 12 . 1 1 37 37 ILE CA C 37 58.579 58.579 60.874 -2.295 18118 5608 1 12 . 1 1 37 37 ILE CB C 37 36.026 36.026 39.400 -3.374 18118 5609 1 12 . 1 1 37 37 ILE H H 37 8.084 8.084 8.594 -0.510 18118 5610 1 12 . 1 1 38 38 ARG N N 38 133.264 133.264 124.280 8.984 18118 5611 1 12 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.302 -0.457 18118 5612 1 12 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.413 -2.646 18118 5613 1 12 . 1 1 38 38 ARG CB C 38 27.829 27.829 31.090 -3.261 18118 5614 1 12 . 1 1 38 38 ARG H H 38 8.662 8.662 8.501 0.161 18118 5615 1 12 . 1 1 39 39 ASN N N 39 117.723 117.723 123.212 -5.489 18118 5616 1 12 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.387 -0.205 18118 5617 1 12 . 1 1 39 39 ASN CA C 39 51.702 51.702 55.851 -4.149 18118 5618 1 12 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.587 -2.741 18118 5619 1 12 . 1 1 39 39 ASN H H 39 8.992 8.992 9.154 -0.162 18118 5620 1 12 . 1 1 40 40 GLY N N 40 108.314 108.314 107.535 0.779 18118 5621 1 12 . 1 1 40 40 GLY CA C 40 44.283 44.283 45.252 -0.969 18118 5622 1 12 . 1 1 40 40 GLY H H 40 7.949 7.949 8.282 -0.333 18118 5623 1 12 . 1 1 41 41 GLU N N 41 124.398 124.398 119.169 5.229 18118 5624 1 12 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.409 -0.597 18118 5625 1 12 . 1 1 41 41 GLU CA C 41 56.741 56.741 57.157 -0.416 18118 5626 1 12 . 1 1 41 41 GLU CB C 41 26.718 26.718 30.439 -3.721 18118 5627 1 12 . 1 1 41 41 GLU H H 41 9.235 9.235 8.459 0.776 18118 5628 1 12 . 1 1 42 42 ASN N N 42 113.155 113.155 118.918 -5.763 18118 5629 1 12 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.693 -0.186 18118 5630 1 12 . 1 1 42 42 ASN CA C 42 51.901 51.901 54.394 -2.493 18118 5631 1 12 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.319 -2.254 18118 5632 1 12 . 1 1 42 42 ASN H H 42 7.523 7.523 8.452 -0.929 18118 5633 1 12 . 1 1 43 43 GLY N N 43 109.898 109.898 106.636 3.262 18118 5634 1 12 . 1 1 43 43 GLY CA C 43 42.561 42.561 45.135 -2.574 18118 5635 1 12 . 1 1 43 43 GLY H H 43 8.131 8.131 8.150 -0.019 18118 5636 1 12 . 1 1 44 44 ILE N N 44 119.116 119.116 121.514 -2.398 18118 5637 1 12 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.480 -0.703 18118 5638 1 12 . 1 1 44 44 ILE CA C 44 58.280 58.280 61.679 -3.399 18118 5639 1 12 . 1 1 44 44 ILE CB C 44 36.145 36.145 39.072 -2.927 18118 5640 1 12 . 1 1 44 44 ILE H H 44 6.715 6.715 7.242 -0.527 18118 5641 1 12 . 1 1 45 45 HIS N N 45 124.064 124.064 125.724 -1.660 18118 5642 1 12 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.721 0.162 18118 5643 1 12 . 1 1 45 45 HIS CA C 45 49.681 49.681 54.903 -5.221 18118 5644 1 12 . 1 1 45 45 HIS CB C 45 25.934 25.934 33.736 -7.802 18118 5645 1 12 . 1 1 45 45 HIS H H 45 8.493 8.493 9.000 -0.507 18118 5646 1 12 . 1 1 46 46 PHE N N 46 123.886 123.886 122.729 1.157 18118 5647 1 12 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.725 -0.162 18118 5648 1 12 . 1 1 46 46 PHE CA C 46 57.122 57.122 56.680 0.442 18118 5649 1 12 . 1 1 46 46 PHE CB C 46 36.299 36.299 40.506 -4.207 18118 5650 1 12 . 1 1 46 46 PHE H H 46 9.014 9.014 7.853 1.161 18118 5651 1 12 . 1 1 47 47 LEU N N 47 124.343 124.343 126.724 -2.381 18118 5652 1 12 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.411 0.093 18118 5653 1 12 . 1 1 47 47 LEU CA C 47 51.885 51.885 54.657 -2.772 18118 5654 1 12 . 1 1 47 47 LEU CB C 47 38.896 38.896 40.813 -1.917 18118 5655 1 12 . 1 1 47 47 LEU H H 47 8.066 8.066 8.608 -0.542 18118 5656 1 12 . 1 1 48 48 LEU N N 48 122.809 122.809 121.843 0.966 18118 5657 1 12 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.598 0.227 18118 5658 1 12 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.273 -2.344 18118 5659 1 12 . 1 1 48 48 LEU CB C 48 41.655 41.655 44.960 -3.305 18118 5660 1 12 . 1 1 48 48 LEU H H 48 8.754 8.754 7.825 0.929 18118 5661 1 12 . 1 1 49 49 ASN N N 49 119.420 119.420 119.795 -0.375 18118 5662 1 12 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.706 0.085 18118 5663 1 12 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.027 -3.432 18118 5664 1 12 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.897 -3.162 18118 5665 1 12 . 1 1 49 49 ASN H H 49 8.757 8.757 8.376 0.381 18118 5666 1 12 . 1 1 50 50 ARG N N 50 119.367 119.367 118.890 0.477 18118 5667 1 12 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.146 -0.119 18118 5668 1 12 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.444 -2.526 18118 5669 1 12 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.390 -2.196 18118 5670 1 12 . 1 1 50 50 ARG H H 50 8.618 8.618 8.439 0.179 18118 5671 1 12 . 1 1 51 51 ASP N N 51 116.650 116.650 118.369 -1.719 18118 5672 1 12 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.825 -0.240 18118 5673 1 12 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.077 -1.797 18118 5674 1 12 . 1 1 51 51 ASP CB C 51 38.544 38.544 41.072 -2.528 18118 5675 1 12 . 1 1 51 51 ASP H H 51 7.577 7.577 8.230 -0.653 18118 5676 1 12 . 1 1 52 52 GLY N N 52 107.719 107.719 108.755 -1.036 18118 5677 1 12 . 1 1 52 52 GLY CA C 52 43.341 43.341 46.014 -2.673 18118 5678 1 12 . 1 1 52 52 GLY H H 52 8.171 8.171 8.016 0.155 18118 5679 1 12 . 1 1 53 53 LYS N N 53 119.174 119.174 120.330 -1.156 18118 5680 1 12 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.177 0.242 18118 5681 1 12 . 1 1 53 53 LYS CA C 53 51.788 51.788 55.619 -3.831 18118 5682 1 12 . 1 1 53 53 LYS CB C 53 30.976 30.976 29.688 1.288 18118 5683 1 12 . 1 1 53 53 LYS H H 53 7.750 7.750 8.626 -0.876 18118 5684 1 12 . 1 1 54 54 ARG N N 54 121.126 121.126 120.663 0.463 18118 5685 1 12 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.444 -0.275 18118 5686 1 12 . 1 1 54 54 ARG CA C 54 54.949 54.949 56.800 -1.851 18118 5687 1 12 . 1 1 54 54 ARG CB C 54 28.054 28.054 31.998 -3.944 18118 5688 1 12 . 1 1 54 54 ARG H H 54 8.570 8.570 8.352 0.218 18118 5689 1 12 . 1 1 55 55 ARG N N 55 121.856 121.856 118.515 3.341 18118 5690 1 12 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.690 -0.649 18118 5691 1 12 . 1 1 55 55 ARG CA C 55 53.172 53.172 54.918 -1.746 18118 5692 1 12 . 1 1 55 55 ARG CB C 55 29.692 29.692 32.162 -2.470 18118 5693 1 12 . 1 1 55 55 ARG H H 55 8.352 8.352 8.364 -0.012 18118 5694 1 12 . 1 1 56 56 GLY N N 56 108.554 108.554 110.089 -1.535 18118 5695 1 12 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.807 -1.346 18118 5696 1 12 . 1 1 56 56 GLY H H 56 8.683 8.683 8.601 0.082 18118 5697 1 12 . 1 1 57 57 ASP N N 57 117.136 117.136 123.354 -6.218 18118 5698 1 12 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.189 0.568 18118 5699 1 12 . 1 1 57 57 ASP CA C 57 49.244 49.244 53.692 -4.448 18118 5700 1 12 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.244 -2.979 18118 5701 1 12 . 1 1 57 57 ASP H H 57 8.018 8.018 8.146 -0.128 18118 5702 1 12 . 1 1 58 58 ALA N N 58 122.425 122.425 123.311 -0.886 18118 5703 1 12 . 1 1 58 58 ALA HA H 58 5.105 5.105 5.105 0.000 18118 5704 1 12 . 1 1 58 58 ALA CA C 58 48.358 48.358 50.883 -2.526 18118 5705 1 12 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.354 -2.910 18118 5706 1 12 . 1 1 58 58 ALA H H 58 9.137 9.137 8.453 0.684 18118 5707 1 12 . 1 1 59 59 LEU N N 59 121.454 121.454 120.492 0.962 18118 5708 1 12 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.196 0.051 18118 5709 1 12 . 1 1 59 59 LEU CA C 59 50.358 50.358 54.340 -3.982 18118 5710 1 12 . 1 1 59 59 LEU CB C 59 42.166 42.166 46.370 -4.204 18118 5711 1 12 . 1 1 59 59 LEU H H 59 8.604 8.604 8.222 0.382 18118 5712 1 12 . 1 1 60 60 ILE N N 60 123.974 123.974 119.643 4.331 18118 5713 1 12 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.812 0.026 18118 5714 1 12 . 1 1 60 60 ILE CA C 60 57.384 57.384 59.033 -1.649 18118 5715 1 12 . 1 1 60 60 ILE CB C 60 38.147 38.147 41.314 -3.167 18118 5716 1 12 . 1 1 60 60 ILE H H 60 9.081 9.081 8.927 0.154 18118 5717 1 12 . 1 1 61 61 GLU N N 61 126.177 126.177 125.128 1.049 18118 5718 1 12 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.708 -0.163 18118 5719 1 12 . 1 1 61 61 GLU CA C 61 52.464 52.464 55.153 -2.689 18118 5720 1 12 . 1 1 61 61 GLU CB C 61 29.517 29.517 30.796 -1.279 18118 5721 1 12 . 1 1 61 61 GLU H H 61 8.832 8.832 8.522 0.310 18118 5722 1 12 . 1 1 62 62 MET N N 62 121.191 121.191 125.839 -4.648 18118 5723 1 12 . 1 1 62 62 MET HA H 62 5.131 5.131 4.396 0.735 18118 5724 1 12 . 1 1 62 62 MET CA C 62 49.938 49.938 54.602 -4.664 18118 5725 1 12 . 1 1 62 62 MET CB C 62 30.874 30.874 33.732 -2.858 18118 5726 1 12 . 1 1 62 62 MET H H 62 8.854 8.854 8.540 0.314 18118 5727 1 12 . 1 1 63 63 GLU N N 63 117.598 117.598 123.358 -5.760 18118 5728 1 12 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.181 -0.110 18118 5729 1 12 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.258 -1.103 18118 5730 1 12 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.642 -2.562 18118 5731 1 12 . 1 1 63 63 GLU H H 63 8.092 8.092 8.724 -0.632 18118 5732 1 12 . 1 1 64 64 SER N N 64 109.627 109.627 110.034 -0.407 18118 5733 1 12 . 1 1 64 64 SER HA H 64 4.113 4.113 2.458 1.655 18118 5734 1 12 . 1 1 64 64 SER CA C 64 54.607 54.607 56.288 -1.681 18118 5735 1 12 . 1 1 64 64 SER CB C 64 65.273 65.273 65.537 -0.264 18118 5736 1 12 . 1 1 64 64 SER H H 64 7.710 7.710 7.059 0.651 18118 5737 1 12 . 1 1 65 65 GLU N N 65 121.394 121.394 121.206 0.188 18118 5738 1 12 . 1 1 65 65 GLU HA H 65 3.485 3.485 4.203 -0.718 18118 5739 1 12 . 1 1 65 65 GLU CA C 65 56.100 56.100 59.165 -3.065 18118 5740 1 12 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.328 -3.046 18118 5741 1 12 . 1 1 65 65 GLU H H 65 8.364 8.364 8.494 -0.130 18118 5742 1 12 . 1 1 66 66 GLN N N 66 118.987 118.987 118.971 0.016 18118 5743 1 12 . 1 1 66 66 GLN HA H 66 3.902 3.902 3.974 -0.072 18118 5744 1 12 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.603 -3.165 18118 5745 1 12 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.226 -2.832 18118 5746 1 12 . 1 1 66 66 GLN H H 66 7.979 7.979 8.490 -0.511 18118 5747 1 12 . 1 1 67 67 ASP N N 67 118.539 118.539 117.341 1.198 18118 5748 1 12 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.498 -0.164 18118 5749 1 12 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.030 -0.303 18118 5750 1 12 . 1 1 67 67 ASP CB C 67 41.607 41.607 40.925 0.682 18118 5751 1 12 . 1 1 67 67 ASP H H 67 7.325 7.325 7.680 -0.355 18118 5752 1 12 . 1 1 68 68 VAL N N 68 119.502 119.502 121.256 -1.754 18118 5753 1 12 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.486 -0.310 18118 5754 1 12 . 1 1 68 68 VAL CA C 68 64.830 64.830 66.300 -1.470 18118 5755 1 12 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.701 -2.867 18118 5756 1 12 . 1 1 68 68 VAL H H 68 7.165 7.165 7.251 -0.086 18118 5757 1 12 . 1 1 69 69 GLN N N 69 115.899 115.899 118.449 -2.550 18118 5758 1 12 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.831 -0.097 18118 5759 1 12 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.982 -2.578 18118 5760 1 12 . 1 1 69 69 GLN CB C 69 25.212 25.212 27.863 -2.651 18118 5761 1 12 . 1 1 69 69 GLN H H 69 7.718 7.718 8.021 -0.303 18118 5762 1 12 . 1 1 70 70 LYS N N 70 118.403 118.403 117.579 0.824 18118 5763 1 12 . 1 1 70 70 LYS HA H 70 3.928 3.928 3.985 -0.057 18118 5764 1 12 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.706 -2.769 18118 5765 1 12 . 1 1 70 70 LYS CB C 70 29.946 29.946 32.067 -2.121 18118 5766 1 12 . 1 1 70 70 LYS H H 70 7.767 7.767 7.507 0.260 18118 5767 1 12 . 1 1 71 71 ALA N N 71 124.650 124.650 120.488 4.162 18118 5768 1 12 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.012 0.015 18118 5769 1 12 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.017 -1.274 18118 5770 1 12 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.306 -2.192 18118 5771 1 12 . 1 1 71 71 ALA H H 71 8.160 8.160 7.204 0.956 18118 5772 1 12 . 1 1 72 72 LEU N N 72 116.557 116.557 120.509 -3.952 18118 5773 1 12 . 1 1 72 72 LEU HA H 72 3.794 3.794 3.818 -0.024 18118 5774 1 12 . 1 1 72 72 LEU CA C 72 54.664 54.664 57.993 -3.329 18118 5775 1 12 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.338 -2.505 18118 5776 1 12 . 1 1 72 72 LEU H H 72 8.055 8.055 8.292 -0.237 18118 5777 1 12 . 1 1 73 73 GLU N N 73 117.807 117.807 117.901 -0.094 18118 5778 1 12 . 1 1 73 73 GLU HA H 73 4.090 4.090 3.902 0.188 18118 5779 1 12 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.040 -3.578 18118 5780 1 12 . 1 1 73 73 GLU CB C 73 26.806 26.806 28.997 -2.191 18118 5781 1 12 . 1 1 73 73 GLU H H 73 7.369 7.369 8.281 -0.912 18118 5782 1 12 . 1 1 74 74 LYS N N 74 116.715 116.715 117.791 -1.076 18118 5783 1 12 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.259 -0.067 18118 5784 1 12 . 1 1 74 74 LYS CA C 74 51.741 51.741 57.047 -5.306 18118 5785 1 12 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.934 -3.470 18118 5786 1 12 . 1 1 74 74 LYS H H 74 7.805 7.805 7.790 0.015 18118 5787 1 12 . 1 1 75 75 HIS N N 75 117.177 117.177 116.368 0.809 18118 5788 1 12 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.581 -0.253 18118 5789 1 12 . 1 1 75 75 HIS CA C 75 55.811 55.811 57.744 -1.933 18118 5790 1 12 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.296 0.287 18118 5791 1 12 . 1 1 75 75 HIS H H 75 7.184 7.184 8.360 -1.176 18118 5792 1 12 . 1 1 76 76 ARG N N 76 121.753 121.753 117.746 4.007 18118 5793 1 12 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.154 0.152 18118 5794 1 12 . 1 1 76 76 ARG CA C 76 55.719 55.719 56.110 -0.391 18118 5795 1 12 . 1 1 76 76 ARG CB C 76 33.288 33.288 31.152 2.136 18118 5796 1 12 . 1 1 76 76 ARG H H 76 9.042 9.042 7.604 1.438 18118 5797 1 12 . 1 1 77 77 MET N N 77 117.206 117.206 118.134 -0.928 18118 5798 1 12 . 1 1 77 77 MET HA H 77 4.598 4.598 4.400 0.198 18118 5799 1 12 . 1 1 77 77 MET CA C 77 52.590 52.590 54.835 -2.245 18118 5800 1 12 . 1 1 77 77 MET CB C 77 31.234 31.234 33.642 -2.408 18118 5801 1 12 . 1 1 77 77 MET H H 77 7.835 7.835 7.714 0.121 18118 5802 1 12 . 1 1 78 78 TYR N N 78 117.960 117.960 115.833 2.127 18118 5803 1 12 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.590 0.012 18118 5804 1 12 . 1 1 78 78 TYR CA C 78 56.028 56.028 54.465 1.563 18118 5805 1 12 . 1 1 78 78 TYR CB C 78 37.334 37.334 39.745 -2.411 18118 5806 1 12 . 1 1 78 78 TYR H H 78 8.359 8.359 8.236 0.123 18118 5807 1 12 . 1 1 79 79 MET N N 79 124.673 124.673 118.776 5.897 18118 5808 1 12 . 1 1 79 79 MET HA H 79 4.325 4.325 4.703 -0.378 18118 5809 1 12 . 1 1 79 79 MET CA C 79 52.338 52.338 54.768 -2.430 18118 5810 1 12 . 1 1 79 79 MET CB C 79 31.907 31.907 35.267 -3.360 18118 5811 1 12 . 1 1 79 79 MET H H 79 8.642 8.642 7.806 0.836 18118 5812 1 12 . 1 1 80 80 GLY N N 80 115.191 115.191 108.546 6.645 18118 5813 1 12 . 1 1 80 80 GLY CA C 80 44.426 44.426 47.153 -2.727 18118 5814 1 12 . 1 1 80 80 GLY H H 80 8.709 8.709 8.732 -0.023 18118 5815 1 12 . 1 1 81 81 GLN N N 81 121.981 121.981 120.147 1.834 18118 5816 1 12 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.237 -0.090 18118 5817 1 12 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.320 -1.763 18118 5818 1 12 . 1 1 81 81 GLN CB C 81 26.736 26.736 29.946 -3.210 18118 5819 1 12 . 1 1 81 81 GLN H H 81 8.598 8.598 8.169 0.429 18118 5820 1 12 . 1 1 82 82 ARG N N 82 118.652 118.652 120.294 -1.642 18118 5821 1 12 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.782 -0.282 18118 5822 1 12 . 1 1 82 82 ARG CA C 82 51.593 51.593 55.856 -4.263 18118 5823 1 12 . 1 1 82 82 ARG CB C 82 29.507 29.507 33.147 -3.640 18118 5824 1 12 . 1 1 82 82 ARG H H 82 7.660 7.660 7.418 0.242 18118 5825 1 12 . 1 1 84 84 VAL N N 84 125.216 125.216 122.796 2.420 18118 5826 1 12 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.441 -0.123 18118 5827 1 12 . 1 1 84 84 VAL CA C 84 58.647 58.647 60.860 -2.213 18118 5828 1 12 . 1 1 84 84 VAL CB C 84 31.015 31.015 33.221 -2.207 18118 5829 1 12 . 1 1 84 84 VAL H H 84 8.222 8.222 8.578 -0.356 18118 5830 1 12 . 1 1 86 86 VAL N N 86 120.000 120.000 124.447 -4.447 18118 5831 1 12 . 1 1 86 86 VAL HA H 86 4.807 4.807 5.180 -0.373 18118 5832 1 12 . 1 1 86 86 VAL CA C 86 58.928 58.928 60.607 -1.679 18118 5833 1 12 . 1 1 86 86 VAL CB C 86 33.201 33.201 33.971 -0.770 18118 5834 1 12 . 1 1 87 87 TYR N N 87 120.377 120.377 125.235 -4.858 18118 5835 1 12 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.818 -0.194 18118 5836 1 12 . 1 1 87 87 TYR CA C 87 53.444 53.444 57.405 -3.961 18118 5837 1 12 . 1 1 87 87 TYR CB C 87 40.105 40.105 43.192 -3.087 18118 5838 1 12 . 1 1 87 87 TYR H H 87 8.731 8.731 8.677 0.054 18118 5839 1 12 . 1 1 88 88 GLU N N 88 122.304 122.304 120.789 1.515 18118 5840 1 12 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.784 -0.434 18118 5841 1 12 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.114 -2.474 18118 5842 1 12 . 1 1 88 88 GLU CB C 88 28.430 28.430 31.080 -2.650 18118 5843 1 12 . 1 1 88 88 GLU H H 88 8.873 8.873 8.678 0.195 18118 5844 1 12 . 1 1 89 89 ILE N N 89 125.082 125.082 123.060 2.022 18118 5845 1 12 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.229 0.029 18118 5846 1 12 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.531 -3.700 18118 5847 1 12 . 1 1 89 89 ILE CB C 89 34.985 34.985 38.311 -3.326 18118 5848 1 12 . 1 1 89 89 ILE H H 89 7.983 7.983 8.199 -0.216 18118 5849 1 12 . 1 1 90 90 ASN N N 90 126.142 126.142 121.385 4.757 18118 5850 1 12 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.848 -0.257 18118 5851 1 12 . 1 1 90 90 ASN CA C 90 50.615 50.615 51.991 -1.376 18118 5852 1 12 . 1 1 90 90 ASN CB C 90 36.638 36.638 40.471 -3.833 18118 5853 1 12 . 1 1 90 90 ASN H H 90 8.890 8.890 8.314 0.576 18118 5854 1 12 . 1 1 91 91 ASN N N 91 121.333 121.333 122.383 -1.050 18118 5855 1 12 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.322 -0.026 18118 5856 1 12 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.782 -2.832 18118 5857 1 12 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.675 -2.370 18118 5858 1 12 . 1 1 91 91 ASN H H 91 8.867 8.867 9.034 -0.167 18118 5859 1 12 . 1 1 92 92 GLU N N 92 117.848 117.848 116.768 1.080 18118 5860 1 12 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.076 0.016 18118 5861 1 12 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.568 -3.017 18118 5862 1 12 . 1 1 92 92 GLU CB C 92 26.767 26.767 29.115 -2.348 18118 5863 1 12 . 1 1 92 92 GLU H H 92 8.869 8.869 8.556 0.313 18118 5864 1 12 . 1 1 93 93 ASP N N 93 118.819 118.819 117.493 1.326 18118 5865 1 12 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.821 -0.169 18118 5866 1 12 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.111 -1.974 18118 5867 1 12 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.668 -2.146 18118 5868 1 12 . 1 1 93 93 ASP H H 93 7.965 7.965 8.103 -0.138 18118 5869 1 12 . 1 1 94 94 VAL N N 94 120.480 120.480 120.390 0.090 18118 5870 1 12 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.875 -0.601 18118 5871 1 12 . 1 1 94 94 VAL CA C 94 64.179 64.179 64.988 -0.809 18118 5872 1 12 . 1 1 94 94 VAL CB C 94 29.477 29.477 32.883 -3.405 18118 5873 1 12 . 1 1 94 94 VAL H H 94 7.406 7.406 7.793 -0.387 18118 5874 1 12 . 1 1 95 95 ASP N N 95 119.806 119.806 120.553 -0.747 18118 5875 1 12 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.287 -0.132 18118 5876 1 12 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.708 -2.492 18118 5877 1 12 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.626 -1.999 18118 5878 1 12 . 1 1 95 95 ASP H H 95 8.342 8.342 7.977 0.365 18118 5879 1 12 . 1 1 96 96 ALA N N 96 119.946 119.946 121.402 -1.456 18118 5880 1 12 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.237 -0.311 18118 5881 1 12 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.427 -2.287 18118 5882 1 12 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.779 -3.103 18118 5883 1 12 . 1 1 96 96 ALA H H 96 8.162 8.162 8.272 -0.110 18118 5884 1 12 . 1 1 97 97 LEU N N 97 119.391 119.391 120.712 -1.321 18118 5885 1 12 . 1 1 97 97 LEU HA H 97 3.985 3.985 4.028 -0.043 18118 5886 1 12 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.808 -2.977 18118 5887 1 12 . 1 1 97 97 LEU CB C 97 39.438 39.438 41.197 -1.759 18118 5888 1 12 . 1 1 97 97 LEU H H 97 7.679 7.679 7.496 0.183 18118 5889 1 12 . 1 1 98 98 MET N N 98 118.055 118.055 114.860 3.195 18118 5890 1 12 . 1 1 98 98 MET HA H 98 4.128 4.128 4.091 0.037 18118 5891 1 12 . 1 1 98 98 MET CA C 98 54.606 54.606 58.206 -3.600 18118 5892 1 12 . 1 1 98 98 MET CB C 98 27.902 27.902 31.792 -3.890 18118 5893 1 12 . 1 1 98 98 MET H H 98 8.504 8.504 7.791 0.713 18118 5894 1 12 . 1 1 99 99 LYS N N 99 119.351 119.351 115.753 3.598 18118 5895 1 12 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.289 -0.318 18118 5896 1 12 . 1 1 99 99 LYS CA C 99 56.301 56.301 57.614 -1.313 18118 5897 1 12 . 1 1 99 99 LYS CB C 99 29.692 29.692 32.445 -2.753 18118 5898 1 12 . 1 1 99 99 LYS H H 99 7.986 7.986 7.726 0.260 18118 5899 1 12 . 1 1 100 100 SER N N 100 114.964 114.964 116.459 -1.495 18118 5900 1 12 . 1 1 100 100 SER HA H 100 4.268 4.268 4.257 0.011 18118 5901 1 12 . 1 1 100 100 SER CA C 100 57.764 57.764 60.756 -2.992 18118 5902 1 12 . 1 1 100 100 SER CB C 100 60.753 60.753 63.281 -2.528 18118 5903 1 12 . 1 1 100 100 SER H H 100 7.711 7.711 7.884 -0.173 18118 5904 1 12 . 1 1 101 101 LEU N N 101 120.679 120.679 118.107 2.572 18118 5905 1 12 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.450 -0.290 18118 5906 1 12 . 1 1 101 101 LEU CA C 101 52.893 52.893 54.161 -1.268 18118 5907 1 12 . 1 1 101 101 LEU CB C 101 39.541 39.541 41.984 -2.443 18118 5908 1 12 . 1 1 101 101 LEU H H 101 7.405 7.405 7.180 0.225 18118 5909 1 12 . 1 1 102 102 GLN N N 102 117.646 117.646 119.918 -2.272 18118 5910 1 12 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.302 -0.107 18118 5911 1 12 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.896 -2.536 18118 5912 1 12 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.222 -0.742 18118 5913 1 12 . 1 1 102 102 GLN H H 102 7.588 7.588 8.035 -0.447 18118 5914 1 12 . 1 1 103 103 VAL N N 103 120.269 120.269 120.294 -0.025 18118 5915 1 12 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.273 -0.258 18118 5916 1 12 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.534 -2.779 18118 5917 1 12 . 1 1 103 103 VAL CB C 103 30.579 30.579 31.721 -1.141 18118 5918 1 12 . 1 1 103 103 VAL H H 103 7.839 7.839 7.906 -0.067 18118 5919 1 12 . 1 1 104 104 LYS N N 104 125.201 125.201 125.037 0.164 18118 5920 1 12 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.657 -0.314 18118 5921 1 12 . 1 1 104 104 LYS CA C 104 53.348 53.348 55.587 -2.239 18118 5922 1 12 . 1 1 104 104 LYS CB C 104 30.634 30.634 34.028 -3.393 18118 5923 1 12 . 1 1 104 104 LYS H H 104 8.364 8.364 8.203 0.161 18118 5924 1 12 . 1 1 105 105 SER N N 105 117.664 117.664 116.115 1.549 18118 5925 1 12 . 1 1 105 105 SER HA H 105 4.401 4.401 5.040 -0.639 18118 5926 1 12 . 1 1 105 105 SER CA C 105 55.611 55.611 57.743 -2.132 18118 5927 1 12 . 1 1 105 105 SER CB C 105 61.286 61.286 64.205 -2.919 18118 5928 1 12 . 1 1 105 105 SER H H 105 8.354 8.354 8.439 -0.085 18118 5929 1 13 . 1 1 2 2 SER N N 2 118.867 118.867 115.618 3.249 18118 5930 1 13 . 1 1 2 2 SER HA H 2 4.707 4.707 4.652 0.055 18118 5931 1 13 . 1 1 2 2 SER CA C 2 55.678 55.678 58.651 -2.973 18118 5932 1 13 . 1 1 2 2 SER CB C 2 61.009 61.009 65.793 -4.784 18118 5933 1 13 . 1 1 2 2 SER H H 2 8.195 8.195 8.700 -0.505 18118 5934 1 13 . 1 1 3 3 LYS N N 3 123.188 123.188 120.237 2.951 18118 5935 1 13 . 1 1 3 3 LYS CA C 3 53.708 53.708 55.878 -2.170 18118 5936 1 13 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.992 -2.618 18118 5937 1 13 . 1 1 3 3 LYS H H 3 8.427 8.427 8.574 -0.147 18118 5938 1 13 . 1 1 4 4 LEU N N 4 123.342 123.342 122.596 0.746 18118 5939 1 13 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.327 -0.123 18118 5940 1 13 . 1 1 4 4 LEU CA C 4 52.990 52.990 56.438 -3.448 18118 5941 1 13 . 1 1 4 4 LEU CB C 4 39.667 39.667 42.829 -3.162 18118 5942 1 13 . 1 1 4 4 LEU H H 4 8.311 8.311 8.159 0.152 18118 5943 1 13 . 1 1 5 5 GLU N N 5 120.431 120.431 120.519 -0.088 18118 5944 1 13 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.505 -0.348 18118 5945 1 13 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.175 -1.945 18118 5946 1 13 . 1 1 5 5 GLU CB C 5 27.847 27.847 29.615 -1.768 18118 5947 1 13 . 1 1 5 5 GLU H H 5 8.321 8.321 8.924 -0.603 18118 5948 1 13 . 1 1 6 6 GLU N N 6 120.027 120.027 119.349 0.678 18118 5949 1 13 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.532 -0.341 18118 5950 1 13 . 1 1 6 6 GLU CA C 6 53.842 53.842 55.376 -1.534 18118 5951 1 13 . 1 1 6 6 GLU CB C 6 27.723 27.723 31.482 -3.759 18118 5952 1 13 . 1 1 6 6 GLU H H 6 8.177 8.177 7.962 0.215 18118 5953 1 13 . 1 1 7 7 GLU N N 7 121.663 121.663 118.575 3.088 18118 5954 1 13 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.517 -0.326 18118 5955 1 13 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.035 -2.356 18118 5956 1 13 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.660 -2.112 18118 5957 1 13 . 1 1 7 7 GLU H H 7 8.228 8.228 8.382 -0.154 18118 5958 1 13 . 1 1 8 8 VAL N N 8 120.733 120.733 117.725 3.008 18118 5959 1 13 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.311 -0.225 18118 5960 1 13 . 1 1 8 8 VAL CA C 8 59.139 59.139 61.175 -2.036 18118 5961 1 13 . 1 1 8 8 VAL CB C 8 30.700 30.700 33.049 -2.349 18118 5962 1 13 . 1 1 8 8 VAL H H 8 8.102 8.102 7.597 0.505 18118 5963 1 13 . 1 1 9 9 ASP N N 9 124.190 124.190 119.723 4.467 18118 5964 1 13 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.625 -0.068 18118 5965 1 13 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.253 -3.073 18118 5966 1 13 . 1 1 9 9 ASP CB C 9 38.781 38.781 42.256 -3.475 18118 5967 1 13 . 1 1 9 9 ASP H H 9 8.313 8.313 8.381 -0.068 18118 5968 1 13 . 1 1 10 10 ASP N N 10 120.966 120.966 119.575 1.391 18118 5969 1 13 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.434 -0.055 18118 5970 1 13 . 1 1 10 10 ASP CA C 10 51.555 51.555 54.169 -2.614 18118 5971 1 13 . 1 1 10 10 ASP CB C 10 39.138 39.138 39.901 -0.763 18118 5972 1 13 . 1 1 10 10 ASP H H 10 8.106 8.106 8.466 -0.360 18118 5973 1 13 . 1 1 11 11 VAL N N 11 119.321 119.321 119.289 0.032 18118 5974 1 13 . 1 1 11 11 VAL HA H 11 3.919 3.919 3.886 0.033 18118 5975 1 13 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.969 -3.248 18118 5976 1 13 . 1 1 11 11 VAL CB C 11 31.300 31.300 32.479 -1.179 18118 5977 1 13 . 1 1 11 11 VAL H H 11 7.528 7.528 7.290 0.238 18118 5978 1 13 . 1 1 12 12 PHE N N 12 125.723 125.723 124.249 1.474 18118 5979 1 13 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.780 -0.194 18118 5980 1 13 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.459 -1.694 18118 5981 1 13 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.087 -0.390 18118 5982 1 13 . 1 1 12 12 PHE H H 12 8.573 8.573 8.477 0.096 18118 5983 1 13 . 1 1 13 13 LEU N N 13 123.923 123.923 120.367 3.556 18118 5984 1 13 . 1 1 13 13 LEU HA H 13 5.232 5.232 4.870 0.362 18118 5985 1 13 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.788 -2.426 18118 5986 1 13 . 1 1 13 13 LEU CB C 13 44.651 44.651 46.128 -1.477 18118 5987 1 13 . 1 1 13 13 LEU H H 13 8.794 8.794 7.760 1.034 18118 5988 1 13 . 1 1 14 14 ILE N N 14 114.563 114.563 114.934 -0.371 18118 5989 1 13 . 1 1 14 14 ILE HA H 14 4.891 4.891 4.946 -0.055 18118 5990 1 13 . 1 1 14 14 ILE CA C 14 55.381 55.381 59.157 -3.776 18118 5991 1 13 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.454 -3.136 18118 5992 1 13 . 1 1 14 14 ILE H H 14 8.316 8.316 7.983 0.333 18118 5993 1 13 . 1 1 15 15 ARG N N 15 122.555 122.555 121.766 0.789 18118 5994 1 13 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.008 0.326 18118 5995 1 13 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.977 -3.684 18118 5996 1 13 . 1 1 15 15 ARG CB C 15 31.850 31.850 33.511 -1.661 18118 5997 1 13 . 1 1 15 15 ARG H H 15 9.231 9.231 8.736 0.495 18118 5998 1 13 . 1 1 16 16 ALA N N 16 127.755 127.755 124.648 3.107 18118 5999 1 13 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.305 0.391 18118 6000 1 13 . 1 1 16 16 ALA CA C 16 46.775 46.775 49.936 -3.161 18118 6001 1 13 . 1 1 16 16 ALA CB C 16 18.337 18.337 22.926 -4.589 18118 6002 1 13 . 1 1 16 16 ALA H H 16 9.005 9.005 8.716 0.289 18118 6003 1 13 . 1 1 17 17 GLN N N 17 121.076 121.076 119.394 1.682 18118 6004 1 13 . 1 1 17 17 GLN HA H 17 5.135 5.135 5.329 -0.194 18118 6005 1 13 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.039 -2.207 18118 6006 1 13 . 1 1 17 17 GLN CB C 17 30.738 30.738 32.225 -1.488 18118 6007 1 13 . 1 1 17 17 GLN H H 17 9.557 9.557 8.134 1.423 18118 6008 1 13 . 1 1 18 18 GLY N N 18 110.950 110.950 107.599 3.351 18118 6009 1 13 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.119 -2.297 18118 6010 1 13 . 1 1 18 18 GLY H H 18 8.294 8.294 8.529 -0.235 18118 6011 1 13 . 1 1 19 19 LEU N N 19 118.809 118.809 121.411 -2.602 18118 6012 1 13 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.457 -0.425 18118 6013 1 13 . 1 1 19 19 LEU CA C 19 50.705 50.705 53.113 -2.408 18118 6014 1 13 . 1 1 19 19 LEU CB C 19 37.568 37.568 41.510 -3.942 18118 6015 1 13 . 1 1 19 19 LEU H H 19 8.292 8.292 7.684 0.608 18118 6016 1 13 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.699 -0.407 18118 6017 1 13 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.301 -2.200 18118 6018 1 13 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.914 -3.715 18118 6019 1 13 . 1 1 21 21 TRP N N 21 124.383 124.383 118.376 6.007 18118 6020 1 13 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.383 0.307 18118 6021 1 13 . 1 1 21 21 TRP CA C 21 56.237 56.237 57.856 -1.619 18118 6022 1 13 . 1 1 21 21 TRP CB C 21 25.965 25.965 28.670 -2.705 18118 6023 1 13 . 1 1 21 21 TRP H H 21 8.527 8.527 8.553 -0.026 18118 6024 1 13 . 1 1 22 22 SER N N 22 109.532 109.532 113.171 -3.639 18118 6025 1 13 . 1 1 22 22 SER HA H 22 4.099 4.099 4.371 -0.272 18118 6026 1 13 . 1 1 22 22 SER CA C 22 54.162 54.162 56.580 -2.418 18118 6027 1 13 . 1 1 22 22 SER CB C 22 60.334 60.334 62.349 -2.015 18118 6028 1 13 . 1 1 22 22 SER H H 22 7.436 7.436 7.582 -0.146 18118 6029 1 13 . 1 1 23 23 CYS N N 23 119.744 119.744 121.879 -2.135 18118 6030 1 13 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.337 0.129 18118 6031 1 13 . 1 1 23 23 CYS CA C 23 55.975 55.975 58.149 -2.174 18118 6032 1 13 . 1 1 23 23 CYS CB C 23 25.489 25.489 28.493 -3.004 18118 6033 1 13 . 1 1 23 23 CYS H H 23 7.221 7.221 8.039 -0.818 18118 6034 1 13 . 1 1 24 24 THR N N 24 115.371 115.371 114.734 0.637 18118 6035 1 13 . 1 1 24 24 THR HA H 24 4.697 4.697 4.508 0.189 18118 6036 1 13 . 1 1 24 24 THR CA C 24 57.172 57.172 60.811 -3.639 18118 6037 1 13 . 1 1 24 24 THR CB C 24 56.222 56.222 71.500 -15.278 18118 6038 1 13 . 1 1 24 24 THR H H 24 9.082 9.082 7.925 1.157 18118 6039 1 13 . 1 1 25 25 MET N N 25 118.539 118.539 121.555 -3.016 18118 6040 1 13 . 1 1 25 25 MET HA H 25 4.161 4.161 4.261 -0.100 18118 6041 1 13 . 1 1 25 25 MET CA C 25 57.241 57.241 59.588 -2.347 18118 6042 1 13 . 1 1 25 25 MET CB C 25 29.452 29.452 32.657 -3.205 18118 6043 1 13 . 1 1 25 25 MET H H 25 8.794 8.794 8.826 -0.032 18118 6044 1 13 . 1 1 26 26 GLU N N 26 118.967 118.967 119.996 -1.029 18118 6045 1 13 . 1 1 26 26 GLU HA H 26 3.802 3.802 4.044 -0.242 18118 6046 1 13 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.326 -3.079 18118 6047 1 13 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.799 -2.136 18118 6048 1 13 . 1 1 26 26 GLU H H 26 8.462 8.462 8.614 -0.152 18118 6049 1 13 . 1 1 27 27 ASP N N 27 118.711 118.711 119.235 -0.524 18118 6050 1 13 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.363 -0.064 18118 6051 1 13 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.949 -2.878 18118 6052 1 13 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.421 -1.765 18118 6053 1 13 . 1 1 27 27 ASP H H 27 7.812 7.812 8.446 -0.634 18118 6054 1 13 . 1 1 28 28 VAL N N 28 120.825 120.825 120.229 0.596 18118 6055 1 13 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.785 -0.341 18118 6056 1 13 . 1 1 28 28 VAL CA C 28 64.841 64.841 65.554 -0.713 18118 6057 1 13 . 1 1 28 28 VAL CB C 28 29.052 29.052 31.981 -2.929 18118 6058 1 13 . 1 1 28 28 VAL H H 28 7.528 7.528 7.353 0.175 18118 6059 1 13 . 1 1 29 29 LEU N N 29 120.586 120.586 120.149 0.437 18118 6060 1 13 . 1 1 29 29 LEU HA H 29 3.778 3.778 3.994 -0.216 18118 6061 1 13 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.140 -2.158 18118 6062 1 13 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.824 -2.870 18118 6063 1 13 . 1 1 29 29 LEU H H 29 8.399 8.399 8.142 0.257 18118 6064 1 13 . 1 1 30 30 ASN N N 30 114.059 114.059 116.743 -2.684 18118 6065 1 13 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.444 -0.046 18118 6066 1 13 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.337 -3.857 18118 6067 1 13 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.690 -2.558 18118 6068 1 13 . 1 1 30 30 ASN H H 30 8.156 8.156 7.905 0.251 18118 6069 1 13 . 1 1 31 31 PHE N N 31 123.816 123.816 121.040 2.776 18118 6070 1 13 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.110 0.017 18118 6071 1 13 . 1 1 31 31 PHE CA C 31 58.819 58.819 59.923 -1.104 18118 6072 1 13 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.096 -1.920 18118 6073 1 13 . 1 1 31 31 PHE H H 31 8.033 8.033 8.089 -0.056 18118 6074 1 13 . 1 1 32 32 PHE N N 32 115.681 115.681 114.302 1.379 18118 6075 1 13 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.528 0.125 18118 6076 1 13 . 1 1 32 32 PHE CA C 32 54.039 54.039 55.198 -1.159 18118 6077 1 13 . 1 1 32 32 PHE CB C 32 35.047 35.047 38.027 -2.980 18118 6078 1 13 . 1 1 32 32 PHE H H 32 7.622 7.622 7.614 0.008 18118 6079 1 13 . 1 1 33 33 SER N N 33 113.797 113.797 116.500 -2.703 18118 6080 1 13 . 1 1 33 33 SER HA H 33 4.111 4.111 4.241 -0.130 18118 6081 1 13 . 1 1 33 33 SER CA C 33 59.041 59.041 60.579 -1.538 18118 6082 1 13 . 1 1 33 33 SER CB C 33 60.339 60.339 63.328 -2.989 18118 6083 1 13 . 1 1 33 33 SER H H 33 6.834 6.834 7.568 -0.734 18118 6084 1 13 . 1 1 34 34 ASP N N 34 119.155 119.155 120.679 -1.524 18118 6085 1 13 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.765 -0.184 18118 6086 1 13 . 1 1 34 34 ASP CA C 34 51.606 51.606 53.570 -1.964 18118 6087 1 13 . 1 1 34 34 ASP CB C 34 37.727 37.727 40.351 -2.624 18118 6088 1 13 . 1 1 34 34 ASP H H 34 8.717 8.717 8.038 0.679 18118 6089 1 13 . 1 1 35 35 CYS N N 35 117.269 117.269 117.677 -0.408 18118 6090 1 13 . 1 1 35 35 CYS HA H 35 4.508 4.508 5.092 -0.584 18118 6091 1 13 . 1 1 35 35 CYS CA C 35 54.961 54.961 56.853 -1.893 18118 6092 1 13 . 1 1 35 35 CYS CB C 35 27.986 27.986 31.643 -3.657 18118 6093 1 13 . 1 1 35 35 CYS H H 35 8.009 8.009 8.021 -0.012 18118 6094 1 13 . 1 1 36 36 ARG N N 36 123.980 123.980 123.024 0.956 18118 6095 1 13 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.656 -0.367 18118 6096 1 13 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.231 -1.503 18118 6097 1 13 . 1 1 36 36 ARG CB C 36 26.279 26.279 30.514 -4.235 18118 6098 1 13 . 1 1 36 36 ARG H H 36 8.666 8.666 8.528 0.138 18118 6099 1 13 . 1 1 37 37 ILE N N 37 128.014 128.014 123.750 4.264 18118 6100 1 13 . 1 1 37 37 ILE HA H 37 4.211 4.211 3.904 0.307 18118 6101 1 13 . 1 1 37 37 ILE CA C 37 58.579 58.579 62.280 -3.701 18118 6102 1 13 . 1 1 37 37 ILE CB C 37 36.026 36.026 38.435 -2.409 18118 6103 1 13 . 1 1 37 37 ILE H H 37 8.084 8.084 8.528 -0.444 18118 6104 1 13 . 1 1 38 38 ARG N N 38 133.264 133.264 126.419 6.845 18118 6105 1 13 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.139 -0.294 18118 6106 1 13 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.037 -2.270 18118 6107 1 13 . 1 1 38 38 ARG CB C 38 27.829 27.829 31.218 -3.389 18118 6108 1 13 . 1 1 38 38 ARG H H 38 8.662 8.662 8.705 -0.043 18118 6109 1 13 . 1 1 39 39 ASN N N 39 117.723 117.723 120.477 -2.754 18118 6110 1 13 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.394 -0.212 18118 6111 1 13 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.341 -2.639 18118 6112 1 13 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.196 -2.350 18118 6113 1 13 . 1 1 39 39 ASN H H 39 8.992 8.992 9.337 -0.345 18118 6114 1 13 . 1 1 40 40 GLY N N 40 108.314 108.314 107.556 0.758 18118 6115 1 13 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.824 -2.541 18118 6116 1 13 . 1 1 40 40 GLY H H 40 7.949 7.949 7.922 0.027 18118 6117 1 13 . 1 1 41 41 GLU N N 41 124.398 124.398 121.907 2.491 18118 6118 1 13 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.437 -0.625 18118 6119 1 13 . 1 1 41 41 GLU CA C 41 56.741 56.741 56.486 0.255 18118 6120 1 13 . 1 1 41 41 GLU CB C 41 26.718 26.718 31.109 -4.391 18118 6121 1 13 . 1 1 41 41 GLU H H 41 9.235 9.235 8.147 1.088 18118 6122 1 13 . 1 1 42 42 ASN N N 42 113.155 113.155 119.671 -6.516 18118 6123 1 13 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.795 -0.288 18118 6124 1 13 . 1 1 42 42 ASN CA C 42 51.901 51.901 53.769 -1.868 18118 6125 1 13 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.601 -2.536 18118 6126 1 13 . 1 1 42 42 ASN H H 42 7.523 7.523 8.179 -0.656 18118 6127 1 13 . 1 1 43 43 GLY N N 43 109.898 109.898 105.598 4.300 18118 6128 1 13 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.697 -2.136 18118 6129 1 13 . 1 1 43 43 GLY H H 43 8.131 8.131 8.060 0.071 18118 6130 1 13 . 1 1 44 44 ILE N N 44 119.116 119.116 122.868 -3.752 18118 6131 1 13 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.472 -0.695 18118 6132 1 13 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.836 -4.556 18118 6133 1 13 . 1 1 44 44 ILE CB C 44 36.145 36.145 38.744 -2.599 18118 6134 1 13 . 1 1 44 44 ILE H H 44 6.715 6.715 7.266 -0.551 18118 6135 1 13 . 1 1 45 45 HIS N N 45 124.064 124.064 125.919 -1.855 18118 6136 1 13 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.671 0.212 18118 6137 1 13 . 1 1 45 45 HIS CA C 45 49.681 49.681 55.331 -5.650 18118 6138 1 13 . 1 1 45 45 HIS CB C 45 25.934 25.934 33.913 -7.979 18118 6139 1 13 . 1 1 45 45 HIS H H 45 8.493 8.493 9.195 -0.702 18118 6140 1 13 . 1 1 46 46 PHE N N 46 123.886 123.886 121.406 2.480 18118 6141 1 13 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.886 -0.323 18118 6142 1 13 . 1 1 46 46 PHE CA C 46 57.122 57.122 56.509 0.613 18118 6143 1 13 . 1 1 46 46 PHE CB C 46 36.299 36.299 40.836 -4.537 18118 6144 1 13 . 1 1 46 46 PHE H H 46 9.014 9.014 7.474 1.540 18118 6145 1 13 . 1 1 47 47 LEU N N 47 124.343 124.343 126.149 -1.806 18118 6146 1 13 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.561 -0.057 18118 6147 1 13 . 1 1 47 47 LEU CA C 47 51.885 51.885 54.232 -2.347 18118 6148 1 13 . 1 1 47 47 LEU CB C 47 38.896 38.896 40.777 -1.881 18118 6149 1 13 . 1 1 47 47 LEU H H 47 8.066 8.066 9.083 -1.017 18118 6150 1 13 . 1 1 48 48 LEU N N 48 122.809 122.809 123.338 -0.529 18118 6151 1 13 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.631 0.194 18118 6152 1 13 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.602 -2.672 18118 6153 1 13 . 1 1 48 48 LEU CB C 48 41.655 41.655 43.839 -2.184 18118 6154 1 13 . 1 1 48 48 LEU H H 48 8.754 8.754 7.651 1.103 18118 6155 1 13 . 1 1 49 49 ASN N N 49 119.420 119.420 118.493 0.927 18118 6156 1 13 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.837 -0.046 18118 6157 1 13 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.958 -4.363 18118 6158 1 13 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.534 -2.799 18118 6159 1 13 . 1 1 49 49 ASN H H 49 8.757 8.757 8.228 0.529 18118 6160 1 13 . 1 1 50 50 ARG N N 50 119.367 119.367 118.308 1.059 18118 6161 1 13 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.123 -0.097 18118 6162 1 13 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.348 -2.430 18118 6163 1 13 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.480 -2.286 18118 6164 1 13 . 1 1 50 50 ARG H H 50 8.618 8.618 8.774 -0.156 18118 6165 1 13 . 1 1 51 51 ASP N N 51 116.650 116.650 117.084 -0.434 18118 6166 1 13 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.680 -0.095 18118 6167 1 13 . 1 1 51 51 ASP CA C 51 51.280 51.280 52.846 -1.566 18118 6168 1 13 . 1 1 51 51 ASP CB C 51 38.544 38.544 40.861 -2.317 18118 6169 1 13 . 1 1 51 51 ASP H H 51 7.577 7.577 7.683 -0.106 18118 6170 1 13 . 1 1 52 52 GLY N N 52 107.719 107.719 108.611 -0.892 18118 6171 1 13 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.842 -2.501 18118 6172 1 13 . 1 1 52 52 GLY H H 52 8.171 8.171 8.134 0.037 18118 6173 1 13 . 1 1 53 53 LYS N N 53 119.174 119.174 119.155 0.019 18118 6174 1 13 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.651 -0.232 18118 6175 1 13 . 1 1 53 53 LYS CA C 53 51.788 51.788 55.061 -3.273 18118 6176 1 13 . 1 1 53 53 LYS CB C 53 30.976 30.976 31.983 -1.007 18118 6177 1 13 . 1 1 53 53 LYS H H 53 7.750 7.750 7.968 -0.218 18118 6178 1 13 . 1 1 54 54 ARG N N 54 121.126 121.126 122.040 -0.914 18118 6179 1 13 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.434 -0.265 18118 6180 1 13 . 1 1 54 54 ARG CA C 54 54.949 54.949 57.055 -2.106 18118 6181 1 13 . 1 1 54 54 ARG CB C 54 28.054 28.054 32.012 -3.958 18118 6182 1 13 . 1 1 54 54 ARG H H 54 8.570 8.570 8.499 0.071 18118 6183 1 13 . 1 1 55 55 ARG N N 55 121.856 121.856 118.385 3.471 18118 6184 1 13 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.633 -0.592 18118 6185 1 13 . 1 1 55 55 ARG CA C 55 53.172 53.172 55.200 -2.028 18118 6186 1 13 . 1 1 55 55 ARG CB C 55 29.692 29.692 32.858 -3.166 18118 6187 1 13 . 1 1 55 55 ARG H H 55 8.352 8.352 8.033 0.319 18118 6188 1 13 . 1 1 56 56 GLY N N 56 108.554 108.554 111.727 -3.173 18118 6189 1 13 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.775 -1.314 18118 6190 1 13 . 1 1 56 56 GLY H H 56 8.683 8.683 8.747 -0.064 18118 6191 1 13 . 1 1 57 57 ASP N N 57 117.136 117.136 120.553 -3.417 18118 6192 1 13 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.437 0.320 18118 6193 1 13 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.276 -3.032 18118 6194 1 13 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.092 -2.827 18118 6195 1 13 . 1 1 57 57 ASP H H 57 8.018 8.018 7.660 0.358 18118 6196 1 13 . 1 1 58 58 ALA N N 58 122.425 122.425 119.706 2.719 18118 6197 1 13 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.857 0.248 18118 6198 1 13 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.403 -3.045 18118 6199 1 13 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.523 -3.079 18118 6200 1 13 . 1 1 58 58 ALA H H 58 9.137 9.137 8.686 0.451 18118 6201 1 13 . 1 1 59 59 LEU N N 59 121.454 121.454 119.256 2.198 18118 6202 1 13 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.239 0.008 18118 6203 1 13 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.284 -2.926 18118 6204 1 13 . 1 1 59 59 LEU CB C 59 42.166 42.166 46.800 -4.634 18118 6205 1 13 . 1 1 59 59 LEU H H 59 8.604 8.604 8.805 -0.201 18118 6206 1 13 . 1 1 60 60 ILE N N 60 123.974 123.974 120.450 3.524 18118 6207 1 13 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.780 0.058 18118 6208 1 13 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.407 -1.023 18118 6209 1 13 . 1 1 60 60 ILE CB C 60 38.147 38.147 41.410 -3.264 18118 6210 1 13 . 1 1 60 60 ILE H H 60 9.081 9.081 8.206 0.875 18118 6211 1 13 . 1 1 61 61 GLU N N 61 126.177 126.177 124.357 1.820 18118 6212 1 13 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.632 -0.087 18118 6213 1 13 . 1 1 61 61 GLU CA C 61 52.464 52.464 55.433 -2.969 18118 6214 1 13 . 1 1 61 61 GLU CB C 61 29.517 29.517 30.736 -1.219 18118 6215 1 13 . 1 1 61 61 GLU H H 61 8.832 8.832 8.483 0.349 18118 6216 1 13 . 1 1 62 62 MET N N 62 121.191 121.191 126.123 -4.932 18118 6217 1 13 . 1 1 62 62 MET HA H 62 5.131 5.131 4.585 0.546 18118 6218 1 13 . 1 1 62 62 MET CA C 62 49.938 49.938 53.922 -3.984 18118 6219 1 13 . 1 1 62 62 MET CB C 62 30.874 30.874 34.402 -3.528 18118 6220 1 13 . 1 1 62 62 MET H H 62 8.854 8.854 8.067 0.787 18118 6221 1 13 . 1 1 63 63 GLU N N 63 117.598 117.598 123.423 -5.825 18118 6222 1 13 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.155 -0.084 18118 6223 1 13 . 1 1 63 63 GLU CA C 63 57.155 57.155 59.028 -1.873 18118 6224 1 13 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.639 -2.559 18118 6225 1 13 . 1 1 63 63 GLU H H 63 8.092 8.092 8.641 -0.549 18118 6226 1 13 . 1 1 64 64 SER N N 64 109.627 109.627 108.968 0.659 18118 6227 1 13 . 1 1 64 64 SER HA H 64 4.113 4.113 3.313 0.800 18118 6228 1 13 . 1 1 64 64 SER CA C 64 54.607 54.607 56.763 -2.156 18118 6229 1 13 . 1 1 64 64 SER CB C 64 65.273 65.273 65.755 -0.482 18118 6230 1 13 . 1 1 64 64 SER H H 64 7.710 7.710 7.426 0.284 18118 6231 1 13 . 1 1 65 65 GLU N N 65 121.394 121.394 121.610 -0.216 18118 6232 1 13 . 1 1 65 65 GLU HA H 65 3.485 3.485 3.928 -0.443 18118 6233 1 13 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.039 -3.939 18118 6234 1 13 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.614 -3.332 18118 6235 1 13 . 1 1 65 65 GLU H H 65 8.364 8.364 8.291 0.073 18118 6236 1 13 . 1 1 66 66 GLN N N 66 118.987 118.987 117.765 1.222 18118 6237 1 13 . 1 1 66 66 GLN HA H 66 3.902 3.902 3.987 -0.085 18118 6238 1 13 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.148 -2.710 18118 6239 1 13 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.102 -2.708 18118 6240 1 13 . 1 1 66 66 GLN H H 66 7.979 7.979 8.473 -0.494 18118 6241 1 13 . 1 1 67 67 ASP N N 67 118.539 118.539 117.302 1.237 18118 6242 1 13 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.593 -0.259 18118 6243 1 13 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.094 -0.367 18118 6244 1 13 . 1 1 67 67 ASP CB C 67 41.607 41.607 41.151 0.456 18118 6245 1 13 . 1 1 67 67 ASP H H 67 7.325 7.325 7.805 -0.480 18118 6246 1 13 . 1 1 68 68 VAL N N 68 119.502 119.502 121.503 -2.001 18118 6247 1 13 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.558 -0.383 18118 6248 1 13 . 1 1 68 68 VAL CA C 68 64.830 64.830 66.131 -1.301 18118 6249 1 13 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.901 -3.067 18118 6250 1 13 . 1 1 68 68 VAL H H 68 7.165 7.165 6.993 0.172 18118 6251 1 13 . 1 1 69 69 GLN N N 69 115.899 115.899 118.395 -2.496 18118 6252 1 13 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.897 -0.163 18118 6253 1 13 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.998 -2.594 18118 6254 1 13 . 1 1 69 69 GLN CB C 69 25.212 25.212 27.949 -2.737 18118 6255 1 13 . 1 1 69 69 GLN H H 69 7.718 7.718 8.443 -0.725 18118 6256 1 13 . 1 1 70 70 LYS N N 70 118.403 118.403 116.887 1.516 18118 6257 1 13 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.028 -0.100 18118 6258 1 13 . 1 1 70 70 LYS CA C 70 55.937 55.937 59.170 -3.233 18118 6259 1 13 . 1 1 70 70 LYS CB C 70 29.946 29.946 32.290 -2.344 18118 6260 1 13 . 1 1 70 70 LYS H H 70 7.767 7.767 7.604 0.163 18118 6261 1 13 . 1 1 71 71 ALA N N 71 124.650 124.650 119.870 4.780 18118 6262 1 13 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.364 -0.337 18118 6263 1 13 . 1 1 71 71 ALA CA C 71 52.743 52.743 53.867 -1.124 18118 6264 1 13 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.952 -2.838 18118 6265 1 13 . 1 1 71 71 ALA H H 71 8.160 8.160 7.431 0.729 18118 6266 1 13 . 1 1 72 72 LEU N N 72 116.557 116.557 120.700 -4.143 18118 6267 1 13 . 1 1 72 72 LEU HA H 72 3.794 3.794 3.998 -0.204 18118 6268 1 13 . 1 1 72 72 LEU CA C 72 54.664 54.664 58.187 -3.523 18118 6269 1 13 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.349 -2.516 18118 6270 1 13 . 1 1 72 72 LEU H H 72 8.055 8.055 8.248 -0.193 18118 6271 1 13 . 1 1 73 73 GLU N N 73 117.807 117.807 118.150 -0.343 18118 6272 1 13 . 1 1 73 73 GLU HA H 73 4.090 4.090 4.053 0.037 18118 6273 1 13 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.521 -4.059 18118 6274 1 13 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.341 -2.535 18118 6275 1 13 . 1 1 73 73 GLU H H 73 7.369 7.369 8.399 -1.030 18118 6276 1 13 . 1 1 74 74 LYS N N 74 116.715 116.715 116.411 0.304 18118 6277 1 13 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.524 -0.332 18118 6278 1 13 . 1 1 74 74 LYS CA C 74 51.741 51.741 54.728 -2.987 18118 6279 1 13 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.405 -2.941 18118 6280 1 13 . 1 1 74 74 LYS H H 74 7.805 7.805 7.818 -0.013 18118 6281 1 13 . 1 1 75 75 HIS N N 75 117.177 117.177 118.571 -1.394 18118 6282 1 13 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.265 0.063 18118 6283 1 13 . 1 1 75 75 HIS CA C 75 55.811 55.811 59.285 -3.474 18118 6284 1 13 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.418 0.166 18118 6285 1 13 . 1 1 75 75 HIS H H 75 7.184 7.184 7.964 -0.780 18118 6286 1 13 . 1 1 76 76 ARG N N 76 121.753 121.753 117.135 4.618 18118 6287 1 13 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.253 0.053 18118 6288 1 13 . 1 1 76 76 ARG CA C 76 55.719 55.719 54.839 0.880 18118 6289 1 13 . 1 1 76 76 ARG CB C 76 33.288 33.288 30.511 2.777 18118 6290 1 13 . 1 1 76 76 ARG H H 76 9.042 9.042 7.669 1.373 18118 6291 1 13 . 1 1 77 77 MET N N 77 117.206 117.206 120.922 -3.716 18118 6292 1 13 . 1 1 77 77 MET HA H 77 4.598 4.598 4.318 0.280 18118 6293 1 13 . 1 1 77 77 MET CA C 77 52.590 52.590 56.451 -3.861 18118 6294 1 13 . 1 1 77 77 MET CB C 77 31.234 31.234 33.366 -2.132 18118 6295 1 13 . 1 1 77 77 MET H H 77 7.835 7.835 7.614 0.221 18118 6296 1 13 . 1 1 78 78 TYR N N 78 117.960 117.960 118.229 -0.269 18118 6297 1 13 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.551 0.051 18118 6298 1 13 . 1 1 78 78 TYR CA C 78 56.028 56.028 56.172 -0.145 18118 6299 1 13 . 1 1 78 78 TYR CB C 78 37.334 37.334 40.214 -2.880 18118 6300 1 13 . 1 1 78 78 TYR H H 78 8.359 8.359 8.189 0.170 18118 6301 1 13 . 1 1 79 79 MET N N 79 124.673 124.673 122.588 2.085 18118 6302 1 13 . 1 1 79 79 MET HA H 79 4.325 4.325 4.561 -0.236 18118 6303 1 13 . 1 1 79 79 MET CA C 79 52.338 52.338 54.638 -2.300 18118 6304 1 13 . 1 1 79 79 MET CB C 79 31.907 31.907 32.378 -0.471 18118 6305 1 13 . 1 1 79 79 MET H H 79 8.642 8.642 8.569 0.073 18118 6306 1 13 . 1 1 80 80 GLY N N 80 115.191 115.191 115.682 -0.491 18118 6307 1 13 . 1 1 80 80 GLY CA C 80 44.426 44.426 46.590 -2.164 18118 6308 1 13 . 1 1 80 80 GLY H H 80 8.709 8.709 8.913 -0.204 18118 6309 1 13 . 1 1 81 81 GLN N N 81 121.981 121.981 121.197 0.784 18118 6310 1 13 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.615 -0.468 18118 6311 1 13 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.523 -1.966 18118 6312 1 13 . 1 1 81 81 GLN CB C 81 26.736 26.736 30.537 -3.801 18118 6313 1 13 . 1 1 81 81 GLN H H 81 8.598 8.598 8.196 0.402 18118 6314 1 13 . 1 1 82 82 ARG N N 82 118.652 118.652 120.418 -1.766 18118 6315 1 13 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.412 0.088 18118 6316 1 13 . 1 1 82 82 ARG CA C 82 51.593 51.593 54.170 -2.577 18118 6317 1 13 . 1 1 82 82 ARG CB C 82 29.507 29.507 32.077 -2.570 18118 6318 1 13 . 1 1 82 82 ARG H H 82 7.660 7.660 7.203 0.457 18118 6319 1 13 . 1 1 84 84 VAL N N 84 125.216 125.216 126.549 -1.333 18118 6320 1 13 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.219 0.099 18118 6321 1 13 . 1 1 84 84 VAL CA C 84 58.647 58.647 61.987 -3.340 18118 6322 1 13 . 1 1 84 84 VAL CB C 84 31.015 31.015 32.317 -1.302 18118 6323 1 13 . 1 1 84 84 VAL H H 84 8.222 8.222 7.259 0.963 18118 6324 1 13 . 1 1 86 86 VAL N N 86 120.000 120.000 118.859 1.141 18118 6325 1 13 . 1 1 86 86 VAL HA H 86 4.807 4.807 4.733 0.074 18118 6326 1 13 . 1 1 86 86 VAL CA C 86 58.928 58.928 61.057 -2.129 18118 6327 1 13 . 1 1 86 86 VAL CB C 86 33.201 33.201 34.810 -1.609 18118 6328 1 13 . 1 1 87 87 TYR N N 87 120.377 120.377 123.879 -3.502 18118 6329 1 13 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.828 -0.204 18118 6330 1 13 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.865 -3.421 18118 6331 1 13 . 1 1 87 87 TYR CB C 87 40.105 40.105 43.528 -3.423 18118 6332 1 13 . 1 1 87 87 TYR H H 87 8.731 8.731 8.439 0.292 18118 6333 1 13 . 1 1 88 88 GLU N N 88 122.304 122.304 120.738 1.566 18118 6334 1 13 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.613 -0.263 18118 6335 1 13 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.390 -2.750 18118 6336 1 13 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.518 -2.088 18118 6337 1 13 . 1 1 88 88 GLU H H 88 8.873 8.873 8.696 0.177 18118 6338 1 13 . 1 1 89 89 ILE N N 89 125.082 125.082 120.770 4.312 18118 6339 1 13 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.188 0.070 18118 6340 1 13 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.645 -3.814 18118 6341 1 13 . 1 1 89 89 ILE CB C 89 34.985 34.985 37.986 -3.001 18118 6342 1 13 . 1 1 89 89 ILE H H 89 7.983 7.983 8.191 -0.208 18118 6343 1 13 . 1 1 90 90 ASN N N 90 126.142 126.142 122.899 3.243 18118 6344 1 13 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.849 -0.258 18118 6345 1 13 . 1 1 90 90 ASN CA C 90 50.615 50.615 52.598 -1.983 18118 6346 1 13 . 1 1 90 90 ASN CB C 90 36.638 36.638 40.355 -3.717 18118 6347 1 13 . 1 1 90 90 ASN H H 90 8.890 8.890 8.514 0.376 18118 6348 1 13 . 1 1 91 91 ASN N N 91 121.333 121.333 122.254 -0.921 18118 6349 1 13 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.262 0.034 18118 6350 1 13 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.269 -2.319 18118 6351 1 13 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.111 -1.806 18118 6352 1 13 . 1 1 91 91 ASN H H 91 8.867 8.867 8.989 -0.122 18118 6353 1 13 . 1 1 92 92 GLU N N 92 117.848 117.848 117.298 0.550 18118 6354 1 13 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.075 0.017 18118 6355 1 13 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.632 -3.081 18118 6356 1 13 . 1 1 92 92 GLU CB C 92 26.767 26.767 28.886 -2.119 18118 6357 1 13 . 1 1 92 92 GLU H H 92 8.869 8.869 8.567 0.302 18118 6358 1 13 . 1 1 93 93 ASP N N 93 118.819 118.819 118.203 0.616 18118 6359 1 13 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.796 -0.144 18118 6360 1 13 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.001 -1.864 18118 6361 1 13 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.979 -2.457 18118 6362 1 13 . 1 1 93 93 ASP H H 93 7.965 7.965 8.099 -0.134 18118 6363 1 13 . 1 1 94 94 VAL N N 94 120.480 120.480 119.495 0.985 18118 6364 1 13 . 1 1 94 94 VAL HA H 94 3.274 3.274 4.157 -0.883 18118 6365 1 13 . 1 1 94 94 VAL CA C 94 64.179 64.179 63.874 0.305 18118 6366 1 13 . 1 1 94 94 VAL CB C 94 29.477 29.477 33.374 -3.897 18118 6367 1 13 . 1 1 94 94 VAL H H 94 7.406 7.406 7.774 -0.368 18118 6368 1 13 . 1 1 95 95 ASP N N 95 119.806 119.806 121.419 -1.613 18118 6369 1 13 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.275 -0.120 18118 6370 1 13 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.848 -2.632 18118 6371 1 13 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.790 -2.163 18118 6372 1 13 . 1 1 95 95 ASP H H 95 8.342 8.342 7.683 0.659 18118 6373 1 13 . 1 1 96 96 ALA N N 96 119.946 119.946 119.874 0.072 18118 6374 1 13 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.130 -0.204 18118 6375 1 13 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.155 -2.015 18118 6376 1 13 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.714 -3.038 18118 6377 1 13 . 1 1 96 96 ALA H H 96 8.162 8.162 8.368 -0.206 18118 6378 1 13 . 1 1 97 97 LEU N N 97 119.391 119.391 120.112 -0.721 18118 6379 1 13 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.973 0.012 18118 6380 1 13 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.650 -2.819 18118 6381 1 13 . 1 1 97 97 LEU CB C 97 39.438 39.438 42.035 -2.598 18118 6382 1 13 . 1 1 97 97 LEU H H 97 7.679 7.679 7.717 -0.038 18118 6383 1 13 . 1 1 98 98 MET N N 98 118.055 118.055 113.919 4.136 18118 6384 1 13 . 1 1 98 98 MET HA H 98 4.128 4.128 4.178 -0.050 18118 6385 1 13 . 1 1 98 98 MET CA C 98 54.606 54.606 57.975 -3.369 18118 6386 1 13 . 1 1 98 98 MET CB C 98 27.902 27.902 31.911 -4.009 18118 6387 1 13 . 1 1 98 98 MET H H 98 8.504 8.504 7.886 0.618 18118 6388 1 13 . 1 1 99 99 LYS N N 99 119.351 119.351 116.685 2.666 18118 6389 1 13 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.464 -0.493 18118 6390 1 13 . 1 1 99 99 LYS CA C 99 56.301 56.301 57.637 -1.336 18118 6391 1 13 . 1 1 99 99 LYS CB C 99 29.692 29.692 32.745 -3.053 18118 6392 1 13 . 1 1 99 99 LYS H H 99 7.986 7.986 7.548 0.438 18118 6393 1 13 . 1 1 100 100 SER N N 100 114.964 114.964 114.754 0.210 18118 6394 1 13 . 1 1 100 100 SER HA H 100 4.268 4.268 4.364 -0.096 18118 6395 1 13 . 1 1 100 100 SER CA C 100 57.764 57.764 60.318 -2.554 18118 6396 1 13 . 1 1 100 100 SER CB C 100 60.753 60.753 63.701 -2.948 18118 6397 1 13 . 1 1 100 100 SER H H 100 7.711 7.711 8.175 -0.464 18118 6398 1 13 . 1 1 101 101 LEU N N 101 120.679 120.679 120.688 -0.009 18118 6399 1 13 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.605 -0.445 18118 6400 1 13 . 1 1 101 101 LEU CA C 101 52.893 52.893 53.930 -1.037 18118 6401 1 13 . 1 1 101 101 LEU CB C 101 39.541 39.541 41.436 -1.895 18118 6402 1 13 . 1 1 101 101 LEU H H 101 7.405 7.405 7.038 0.367 18118 6403 1 13 . 1 1 102 102 GLN N N 102 117.646 117.646 119.739 -2.093 18118 6404 1 13 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.466 -0.271 18118 6405 1 13 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.586 -2.226 18118 6406 1 13 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.639 -1.159 18118 6407 1 13 . 1 1 102 102 GLN H H 102 7.588 7.588 8.177 -0.589 18118 6408 1 13 . 1 1 103 103 VAL N N 103 120.269 120.269 119.759 0.510 18118 6409 1 13 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.286 -0.271 18118 6410 1 13 . 1 1 103 103 VAL CA C 103 59.755 59.755 61.962 -2.207 18118 6411 1 13 . 1 1 103 103 VAL CB C 103 30.579 30.579 32.134 -1.555 18118 6412 1 13 . 1 1 103 103 VAL H H 103 7.839 7.839 7.989 -0.150 18118 6413 1 13 . 1 1 104 104 LYS N N 104 125.201 125.201 125.602 -0.401 18118 6414 1 13 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.614 -0.271 18118 6415 1 13 . 1 1 104 104 LYS CA C 104 53.348 53.348 55.889 -2.541 18118 6416 1 13 . 1 1 104 104 LYS CB C 104 30.634 30.634 33.512 -2.878 18118 6417 1 13 . 1 1 104 104 LYS H H 104 8.364 8.364 8.335 0.029 18118 6418 1 13 . 1 1 105 105 SER N N 105 117.664 117.664 117.914 -0.250 18118 6419 1 13 . 1 1 105 105 SER HA H 105 4.401 4.401 4.686 -0.285 18118 6420 1 13 . 1 1 105 105 SER CA C 105 55.611 55.611 58.062 -2.451 18118 6421 1 13 . 1 1 105 105 SER CB C 105 61.286 61.286 64.641 -3.354 18118 6422 1 13 . 1 1 105 105 SER H H 105 8.354 8.354 8.309 0.045 18118 6423 1 14 . 1 1 2 2 SER N N 2 118.867 118.867 114.862 4.005 18118 6424 1 14 . 1 1 2 2 SER HA H 2 4.707 4.707 4.886 -0.179 18118 6425 1 14 . 1 1 2 2 SER CA C 2 55.678 55.678 57.254 -1.576 18118 6426 1 14 . 1 1 2 2 SER CB C 2 61.009 61.009 63.627 -2.618 18118 6427 1 14 . 1 1 2 2 SER H H 2 8.195 8.195 8.513 -0.318 18118 6428 1 14 . 1 1 3 3 LYS N N 3 123.188 123.188 121.030 2.158 18118 6429 1 14 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.130 -2.422 18118 6430 1 14 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.159 -1.785 18118 6431 1 14 . 1 1 3 3 LYS H H 3 8.427 8.427 8.188 0.239 18118 6432 1 14 . 1 1 4 4 LEU N N 4 123.342 123.342 122.400 0.942 18118 6433 1 14 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.275 -0.071 18118 6434 1 14 . 1 1 4 4 LEU CA C 4 52.990 52.990 54.995 -2.005 18118 6435 1 14 . 1 1 4 4 LEU CB C 4 39.667 39.667 43.360 -3.693 18118 6436 1 14 . 1 1 4 4 LEU H H 4 8.311 8.311 7.476 0.835 18118 6437 1 14 . 1 1 5 5 GLU N N 5 120.431 120.431 116.768 3.663 18118 6438 1 14 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.418 -0.261 18118 6439 1 14 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.357 -2.127 18118 6440 1 14 . 1 1 5 5 GLU CB C 5 27.847 27.847 30.234 -2.387 18118 6441 1 14 . 1 1 5 5 GLU H H 5 8.321 8.321 8.966 -0.645 18118 6442 1 14 . 1 1 6 6 GLU N N 6 120.027 120.027 119.807 0.220 18118 6443 1 14 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.502 -0.311 18118 6444 1 14 . 1 1 6 6 GLU CA C 6 53.842 53.842 55.951 -2.109 18118 6445 1 14 . 1 1 6 6 GLU CB C 6 27.723 27.723 32.169 -4.446 18118 6446 1 14 . 1 1 6 6 GLU H H 6 8.177 8.177 8.086 0.091 18118 6447 1 14 . 1 1 7 7 GLU N N 7 121.663 121.663 119.545 2.118 18118 6448 1 14 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.441 -0.250 18118 6449 1 14 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.241 -2.562 18118 6450 1 14 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.388 -1.840 18118 6451 1 14 . 1 1 7 7 GLU H H 7 8.228 8.228 8.626 -0.398 18118 6452 1 14 . 1 1 8 8 VAL N N 8 120.733 120.733 119.106 1.627 18118 6453 1 14 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.101 -0.015 18118 6454 1 14 . 1 1 8 8 VAL CA C 8 59.139 59.139 62.139 -3.000 18118 6455 1 14 . 1 1 8 8 VAL CB C 8 30.700 30.700 32.429 -1.729 18118 6456 1 14 . 1 1 8 8 VAL H H 8 8.102 8.102 7.692 0.410 18118 6457 1 14 . 1 1 9 9 ASP N N 9 124.190 124.190 119.928 4.262 18118 6458 1 14 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.667 -0.110 18118 6459 1 14 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.896 -3.716 18118 6460 1 14 . 1 1 9 9 ASP CB C 9 38.781 38.781 41.353 -2.572 18118 6461 1 14 . 1 1 9 9 ASP H H 9 8.313 8.313 8.390 -0.077 18118 6462 1 14 . 1 1 10 10 ASP N N 10 120.966 120.966 118.784 2.182 18118 6463 1 14 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.590 -0.211 18118 6464 1 14 . 1 1 10 10 ASP CA C 10 51.555 51.555 53.819 -2.264 18118 6465 1 14 . 1 1 10 10 ASP CB C 10 39.138 39.138 41.298 -2.160 18118 6466 1 14 . 1 1 10 10 ASP H H 10 8.106 8.106 8.124 -0.018 18118 6467 1 14 . 1 1 11 11 VAL N N 11 119.321 119.321 119.556 -0.235 18118 6468 1 14 . 1 1 11 11 VAL HA H 11 3.919 3.919 3.860 0.059 18118 6469 1 14 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.089 -2.368 18118 6470 1 14 . 1 1 11 11 VAL CB C 11 31.300 31.300 32.971 -1.671 18118 6471 1 14 . 1 1 11 11 VAL H H 11 7.528 7.528 7.655 -0.127 18118 6472 1 14 . 1 1 12 12 PHE N N 12 125.723 125.723 125.014 0.709 18118 6473 1 14 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.747 -0.161 18118 6474 1 14 . 1 1 12 12 PHE CA C 12 53.764 53.764 56.083 -2.319 18118 6475 1 14 . 1 1 12 12 PHE CB C 12 37.698 37.698 39.443 -1.745 18118 6476 1 14 . 1 1 12 12 PHE H H 12 8.573 8.573 8.153 0.420 18118 6477 1 14 . 1 1 13 13 LEU N N 13 123.923 123.923 122.333 1.590 18118 6478 1 14 . 1 1 13 13 LEU HA H 13 5.232 5.232 4.862 0.370 18118 6479 1 14 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.929 -2.568 18118 6480 1 14 . 1 1 13 13 LEU CB C 13 44.651 44.651 45.592 -0.941 18118 6481 1 14 . 1 1 13 13 LEU H H 13 8.794 8.794 7.461 1.333 18118 6482 1 14 . 1 1 14 14 ILE N N 14 114.563 114.563 119.772 -5.209 18118 6483 1 14 . 1 1 14 14 ILE HA H 14 4.891 4.891 4.865 0.026 18118 6484 1 14 . 1 1 14 14 ILE CA C 14 55.381 55.381 58.907 -3.526 18118 6485 1 14 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.127 -2.809 18118 6486 1 14 . 1 1 14 14 ILE H H 14 8.316 8.316 7.944 0.372 18118 6487 1 14 . 1 1 15 15 ARG N N 15 122.555 122.555 120.538 2.017 18118 6488 1 14 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.299 0.035 18118 6489 1 14 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.316 -3.023 18118 6490 1 14 . 1 1 15 15 ARG CB C 15 31.850 31.850 34.786 -2.936 18118 6491 1 14 . 1 1 15 15 ARG H H 15 9.231 9.231 8.989 0.242 18118 6492 1 14 . 1 1 16 16 ALA N N 16 127.755 127.755 127.831 -0.076 18118 6493 1 14 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.465 0.231 18118 6494 1 14 . 1 1 16 16 ALA CA C 16 46.775 46.775 49.974 -3.199 18118 6495 1 14 . 1 1 16 16 ALA CB C 16 18.337 18.337 22.166 -3.829 18118 6496 1 14 . 1 1 16 16 ALA H H 16 9.005 9.005 9.046 -0.041 18118 6497 1 14 . 1 1 17 17 GLN N N 17 121.076 121.076 117.983 3.093 18118 6498 1 14 . 1 1 17 17 GLN HA H 17 5.135 5.135 5.042 0.093 18118 6499 1 14 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.288 -2.456 18118 6500 1 14 . 1 1 17 17 GLN CB C 17 30.738 30.738 33.079 -2.341 18118 6501 1 14 . 1 1 17 17 GLN H H 17 9.557 9.557 8.770 0.787 18118 6502 1 14 . 1 1 18 18 GLY N N 18 110.950 110.950 106.558 4.392 18118 6503 1 14 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.550 -2.728 18118 6504 1 14 . 1 1 18 18 GLY H H 18 8.294 8.294 8.558 -0.264 18118 6505 1 14 . 1 1 19 19 LEU N N 19 118.809 118.809 121.286 -2.477 18118 6506 1 14 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.219 -0.187 18118 6507 1 14 . 1 1 19 19 LEU CA C 19 50.705 50.705 52.639 -1.934 18118 6508 1 14 . 1 1 19 19 LEU CB C 19 37.568 37.568 41.769 -4.200 18118 6509 1 14 . 1 1 19 19 LEU H H 19 8.292 8.292 7.195 1.097 18118 6510 1 14 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.024 0.268 18118 6511 1 14 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.294 -2.193 18118 6512 1 14 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.354 -3.155 18118 6513 1 14 . 1 1 21 21 TRP N N 21 124.383 124.383 117.155 7.228 18118 6514 1 14 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.556 0.134 18118 6515 1 14 . 1 1 21 21 TRP CA C 21 56.237 56.237 57.288 -1.051 18118 6516 1 14 . 1 1 21 21 TRP CB C 21 25.965 25.965 29.178 -3.213 18118 6517 1 14 . 1 1 21 21 TRP H H 21 8.527 8.527 7.411 1.116 18118 6518 1 14 . 1 1 22 22 SER N N 22 109.532 109.532 114.045 -4.513 18118 6519 1 14 . 1 1 22 22 SER HA H 22 4.099 4.099 4.556 -0.457 18118 6520 1 14 . 1 1 22 22 SER CA C 22 54.162 54.162 57.677 -3.515 18118 6521 1 14 . 1 1 22 22 SER CB C 22 60.334 60.334 63.410 -3.076 18118 6522 1 14 . 1 1 22 22 SER H H 22 7.436 7.436 7.675 -0.239 18118 6523 1 14 . 1 1 23 23 CYS N N 23 119.744 119.744 121.723 -1.979 18118 6524 1 14 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.674 -0.208 18118 6525 1 14 . 1 1 23 23 CYS CA C 23 55.975 55.975 58.314 -2.339 18118 6526 1 14 . 1 1 23 23 CYS CB C 23 25.489 25.489 29.299 -3.810 18118 6527 1 14 . 1 1 23 23 CYS H H 23 7.221 7.221 8.175 -0.954 18118 6528 1 14 . 1 1 24 24 THR N N 24 115.371 115.371 117.534 -2.163 18118 6529 1 14 . 1 1 24 24 THR HA H 24 4.697 4.697 4.561 0.136 18118 6530 1 14 . 1 1 24 24 THR CA C 24 57.172 57.172 60.696 -3.524 18118 6531 1 14 . 1 1 24 24 THR CB C 24 56.222 56.222 71.058 -14.836 18118 6532 1 14 . 1 1 24 24 THR H H 24 9.082 9.082 9.160 -0.078 18118 6533 1 14 . 1 1 25 25 MET N N 25 118.539 118.539 121.586 -3.047 18118 6534 1 14 . 1 1 25 25 MET HA H 25 4.161 4.161 4.092 0.069 18118 6535 1 14 . 1 1 25 25 MET CA C 25 57.241 57.241 61.010 -3.769 18118 6536 1 14 . 1 1 25 25 MET CB C 25 29.452 29.452 32.706 -3.254 18118 6537 1 14 . 1 1 25 25 MET H H 25 8.794 8.794 8.899 -0.105 18118 6538 1 14 . 1 1 26 26 GLU N N 26 118.967 118.967 119.043 -0.076 18118 6539 1 14 . 1 1 26 26 GLU HA H 26 3.802 3.802 4.103 -0.301 18118 6540 1 14 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.087 -2.841 18118 6541 1 14 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.764 -2.101 18118 6542 1 14 . 1 1 26 26 GLU H H 26 8.462 8.462 8.805 -0.343 18118 6543 1 14 . 1 1 27 27 ASP N N 27 118.711 118.711 119.698 -0.987 18118 6544 1 14 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.399 -0.100 18118 6545 1 14 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.237 -2.166 18118 6546 1 14 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.507 -1.851 18118 6547 1 14 . 1 1 27 27 ASP H H 27 7.812 7.812 7.445 0.367 18118 6548 1 14 . 1 1 28 28 VAL N N 28 120.825 120.825 121.157 -0.332 18118 6549 1 14 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.772 -0.328 18118 6550 1 14 . 1 1 28 28 VAL CA C 28 64.841 64.841 65.331 -0.490 18118 6551 1 14 . 1 1 28 28 VAL CB C 28 29.052 29.052 31.996 -2.944 18118 6552 1 14 . 1 1 28 28 VAL H H 28 7.528 7.528 8.008 -0.480 18118 6553 1 14 . 1 1 29 29 LEU N N 29 120.586 120.586 119.740 0.846 18118 6554 1 14 . 1 1 29 29 LEU HA H 29 3.778 3.778 4.011 -0.233 18118 6555 1 14 . 1 1 29 29 LEU CA C 29 55.982 55.982 57.750 -1.768 18118 6556 1 14 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.512 -2.558 18118 6557 1 14 . 1 1 29 29 LEU H H 29 8.399 8.399 8.171 0.228 18118 6558 1 14 . 1 1 30 30 ASN N N 30 114.059 114.059 117.082 -3.023 18118 6559 1 14 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.403 -0.005 18118 6560 1 14 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.473 -3.993 18118 6561 1 14 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.614 -2.482 18118 6562 1 14 . 1 1 30 30 ASN H H 30 8.156 8.156 7.683 0.473 18118 6563 1 14 . 1 1 31 31 PHE N N 31 123.816 123.816 122.083 1.733 18118 6564 1 14 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.097 0.030 18118 6565 1 14 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.545 -1.726 18118 6566 1 14 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.124 -1.948 18118 6567 1 14 . 1 1 31 31 PHE H H 31 8.033 8.033 7.697 0.336 18118 6568 1 14 . 1 1 32 32 PHE N N 32 115.681 115.681 117.299 -1.618 18118 6569 1 14 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.425 0.228 18118 6570 1 14 . 1 1 32 32 PHE CA C 32 54.039 54.039 55.536 -1.497 18118 6571 1 14 . 1 1 32 32 PHE CB C 32 35.047 35.047 36.851 -1.804 18118 6572 1 14 . 1 1 32 32 PHE H H 32 7.622 7.622 8.267 -0.645 18118 6573 1 14 . 1 1 33 33 SER N N 33 113.797 113.797 115.770 -1.973 18118 6574 1 14 . 1 1 33 33 SER HA H 33 4.111 4.111 4.441 -0.330 18118 6575 1 14 . 1 1 33 33 SER CA C 33 59.041 59.041 59.761 -0.720 18118 6576 1 14 . 1 1 33 33 SER CB C 33 60.339 60.339 63.147 -2.808 18118 6577 1 14 . 1 1 33 33 SER H H 33 6.834 6.834 7.447 -0.613 18118 6578 1 14 . 1 1 34 34 ASP N N 34 119.155 119.155 119.164 -0.009 18118 6579 1 14 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.755 -0.174 18118 6580 1 14 . 1 1 34 34 ASP CA C 34 51.606 51.606 53.229 -1.623 18118 6581 1 14 . 1 1 34 34 ASP CB C 34 37.727 37.727 40.660 -2.933 18118 6582 1 14 . 1 1 34 34 ASP H H 34 8.717 8.717 7.799 0.918 18118 6583 1 14 . 1 1 35 35 CYS N N 35 117.269 117.269 115.548 1.721 18118 6584 1 14 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.771 -0.263 18118 6585 1 14 . 1 1 35 35 CYS CA C 35 54.961 54.961 56.379 -1.418 18118 6586 1 14 . 1 1 35 35 CYS CB C 35 27.986 27.986 30.761 -2.775 18118 6587 1 14 . 1 1 35 35 CYS H H 35 8.009 8.009 7.578 0.431 18118 6588 1 14 . 1 1 36 36 ARG N N 36 123.980 123.980 121.881 2.099 18118 6589 1 14 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.652 -0.363 18118 6590 1 14 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.483 -1.755 18118 6591 1 14 . 1 1 36 36 ARG CB C 36 26.279 26.279 30.750 -4.471 18118 6592 1 14 . 1 1 36 36 ARG H H 36 8.666 8.666 8.574 0.092 18118 6593 1 14 . 1 1 37 37 ILE N N 37 128.014 128.014 126.164 1.850 18118 6594 1 14 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.149 0.062 18118 6595 1 14 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.734 -3.155 18118 6596 1 14 . 1 1 37 37 ILE CB C 37 36.026 36.026 39.132 -3.106 18118 6597 1 14 . 1 1 37 37 ILE H H 37 8.084 8.084 8.807 -0.723 18118 6598 1 14 . 1 1 38 38 ARG N N 38 133.264 133.264 129.326 3.938 18118 6599 1 14 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.095 -0.250 18118 6600 1 14 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.628 -2.861 18118 6601 1 14 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.221 -2.392 18118 6602 1 14 . 1 1 38 38 ARG H H 38 8.662 8.662 8.418 0.244 18118 6603 1 14 . 1 1 39 39 ASN N N 39 117.723 117.723 120.393 -2.670 18118 6604 1 14 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.323 -0.141 18118 6605 1 14 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.124 -2.422 18118 6606 1 14 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.062 -2.216 18118 6607 1 14 . 1 1 39 39 ASN H H 39 8.992 8.992 9.033 -0.041 18118 6608 1 14 . 1 1 40 40 GLY N N 40 108.314 108.314 107.788 0.526 18118 6609 1 14 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.848 -2.565 18118 6610 1 14 . 1 1 40 40 GLY H H 40 7.949 7.949 8.363 -0.414 18118 6611 1 14 . 1 1 41 41 GLU N N 41 124.398 124.398 120.436 3.962 18118 6612 1 14 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.488 -0.676 18118 6613 1 14 . 1 1 41 41 GLU CA C 41 56.741 56.741 56.584 0.157 18118 6614 1 14 . 1 1 41 41 GLU CB C 41 26.718 26.718 31.254 -4.536 18118 6615 1 14 . 1 1 41 41 GLU H H 41 9.235 9.235 8.248 0.987 18118 6616 1 14 . 1 1 42 42 ASN N N 42 113.155 113.155 119.322 -6.167 18118 6617 1 14 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.621 -0.114 18118 6618 1 14 . 1 1 42 42 ASN CA C 42 51.901 51.901 54.950 -3.049 18118 6619 1 14 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.648 -2.583 18118 6620 1 14 . 1 1 42 42 ASN H H 42 7.523 7.523 8.358 -0.835 18118 6621 1 14 . 1 1 43 43 GLY N N 43 109.898 109.898 106.864 3.034 18118 6622 1 14 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.575 -2.014 18118 6623 1 14 . 1 1 43 43 GLY H H 43 8.131 8.131 8.078 0.053 18118 6624 1 14 . 1 1 44 44 ILE N N 44 119.116 119.116 122.477 -3.361 18118 6625 1 14 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.348 -0.571 18118 6626 1 14 . 1 1 44 44 ILE CA C 44 58.280 58.280 63.553 -5.273 18118 6627 1 14 . 1 1 44 44 ILE CB C 44 36.145 36.145 38.709 -2.563 18118 6628 1 14 . 1 1 44 44 ILE H H 44 6.715 6.715 7.395 -0.680 18118 6629 1 14 . 1 1 45 45 HIS N N 45 124.064 124.064 124.740 -0.676 18118 6630 1 14 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.609 0.274 18118 6631 1 14 . 1 1 45 45 HIS CA C 45 49.681 49.681 55.301 -5.620 18118 6632 1 14 . 1 1 45 45 HIS CB C 45 25.934 25.934 34.002 -8.068 18118 6633 1 14 . 1 1 45 45 HIS H H 45 8.493 8.493 9.042 -0.549 18118 6634 1 14 . 1 1 46 46 PHE N N 46 123.886 123.886 123.745 0.141 18118 6635 1 14 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.838 -0.275 18118 6636 1 14 . 1 1 46 46 PHE CA C 46 57.122 57.122 55.556 1.566 18118 6637 1 14 . 1 1 46 46 PHE CB C 46 36.299 36.299 39.286 -2.987 18118 6638 1 14 . 1 1 46 46 PHE H H 46 9.014 9.014 7.644 1.370 18118 6639 1 14 . 1 1 47 47 LEU N N 47 124.343 124.343 126.863 -2.520 18118 6640 1 14 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.230 0.274 18118 6641 1 14 . 1 1 47 47 LEU CA C 47 51.885 51.885 54.164 -2.279 18118 6642 1 14 . 1 1 47 47 LEU CB C 47 38.896 38.896 39.846 -0.950 18118 6643 1 14 . 1 1 47 47 LEU H H 47 8.066 8.066 8.638 -0.572 18118 6644 1 14 . 1 1 48 48 LEU N N 48 122.809 122.809 122.415 0.394 18118 6645 1 14 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.496 0.329 18118 6646 1 14 . 1 1 48 48 LEU CA C 48 50.930 50.930 54.451 -3.521 18118 6647 1 14 . 1 1 48 48 LEU CB C 48 41.655 41.655 43.223 -1.568 18118 6648 1 14 . 1 1 48 48 LEU H H 48 8.754 8.754 7.769 0.985 18118 6649 1 14 . 1 1 49 49 ASN N N 49 119.420 119.420 117.507 1.913 18118 6650 1 14 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.916 -0.125 18118 6651 1 14 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.625 -4.030 18118 6652 1 14 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.949 -3.214 18118 6653 1 14 . 1 1 49 49 ASN H H 49 8.757 8.757 8.268 0.489 18118 6654 1 14 . 1 1 50 50 ARG N N 50 119.367 119.367 121.517 -2.150 18118 6655 1 14 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.139 -0.113 18118 6656 1 14 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.458 -2.540 18118 6657 1 14 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.576 -2.382 18118 6658 1 14 . 1 1 50 50 ARG H H 50 8.618 8.618 8.798 -0.180 18118 6659 1 14 . 1 1 51 51 ASP N N 51 116.650 116.650 118.345 -1.695 18118 6660 1 14 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.620 -0.035 18118 6661 1 14 . 1 1 51 51 ASP CA C 51 51.280 51.280 54.056 -2.776 18118 6662 1 14 . 1 1 51 51 ASP CB C 51 38.544 38.544 40.455 -1.911 18118 6663 1 14 . 1 1 51 51 ASP H H 51 7.577 7.577 8.008 -0.431 18118 6664 1 14 . 1 1 52 52 GLY N N 52 107.719 107.719 108.829 -1.110 18118 6665 1 14 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.830 -2.489 18118 6666 1 14 . 1 1 52 52 GLY H H 52 8.171 8.171 8.118 0.053 18118 6667 1 14 . 1 1 53 53 LYS N N 53 119.174 119.174 117.838 1.336 18118 6668 1 14 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.540 -0.121 18118 6669 1 14 . 1 1 53 53 LYS CA C 53 51.788 51.788 54.644 -2.856 18118 6670 1 14 . 1 1 53 53 LYS CB C 53 30.976 30.976 35.635 -4.659 18118 6671 1 14 . 1 1 53 53 LYS H H 53 7.750 7.750 7.294 0.456 18118 6672 1 14 . 1 1 54 54 ARG N N 54 121.126 121.126 124.174 -3.048 18118 6673 1 14 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.455 -0.286 18118 6674 1 14 . 1 1 54 54 ARG CA C 54 54.949 54.949 57.461 -2.512 18118 6675 1 14 . 1 1 54 54 ARG CB C 54 28.054 28.054 31.078 -3.024 18118 6676 1 14 . 1 1 54 54 ARG H H 54 8.570 8.570 8.816 -0.246 18118 6677 1 14 . 1 1 55 55 ARG N N 55 121.856 121.856 117.526 4.330 18118 6678 1 14 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.740 -0.699 18118 6679 1 14 . 1 1 55 55 ARG CA C 55 53.172 53.172 55.404 -2.232 18118 6680 1 14 . 1 1 55 55 ARG CB C 55 29.692 29.692 33.631 -3.939 18118 6681 1 14 . 1 1 55 55 ARG H H 55 8.352 8.352 8.104 0.248 18118 6682 1 14 . 1 1 56 56 GLY N N 56 108.554 108.554 108.527 0.027 18118 6683 1 14 . 1 1 56 56 GLY CA C 56 43.461 43.461 45.143 -1.682 18118 6684 1 14 . 1 1 56 56 GLY H H 56 8.683 8.683 8.508 0.175 18118 6685 1 14 . 1 1 57 57 ASP N N 57 117.136 117.136 119.625 -2.489 18118 6686 1 14 . 1 1 57 57 ASP HA H 57 5.757 5.757 4.865 0.892 18118 6687 1 14 . 1 1 57 57 ASP CA C 57 49.244 49.244 53.083 -3.839 18118 6688 1 14 . 1 1 57 57 ASP CB C 57 41.265 41.265 43.843 -2.578 18118 6689 1 14 . 1 1 57 57 ASP H H 57 8.018 8.018 7.865 0.153 18118 6690 1 14 . 1 1 58 58 ALA N N 58 122.425 122.425 118.815 3.610 18118 6691 1 14 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.869 0.236 18118 6692 1 14 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.936 -3.578 18118 6693 1 14 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.366 -2.922 18118 6694 1 14 . 1 1 58 58 ALA H H 58 9.137 9.137 8.298 0.839 18118 6695 1 14 . 1 1 59 59 LEU N N 59 121.454 121.454 120.076 1.378 18118 6696 1 14 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.302 -0.055 18118 6697 1 14 . 1 1 59 59 LEU CA C 59 50.358 50.358 54.061 -3.703 18118 6698 1 14 . 1 1 59 59 LEU CB C 59 42.166 42.166 47.361 -5.196 18118 6699 1 14 . 1 1 59 59 LEU H H 59 8.604 8.604 8.888 -0.284 18118 6700 1 14 . 1 1 60 60 ILE N N 60 123.974 123.974 121.479 2.495 18118 6701 1 14 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.539 0.299 18118 6702 1 14 . 1 1 60 60 ILE CA C 60 57.384 57.384 59.022 -1.638 18118 6703 1 14 . 1 1 60 60 ILE CB C 60 38.147 38.147 38.940 -0.793 18118 6704 1 14 . 1 1 60 60 ILE H H 60 9.081 9.081 8.311 0.770 18118 6705 1 14 . 1 1 61 61 GLU N N 61 126.177 126.177 127.318 -1.141 18118 6706 1 14 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.338 0.207 18118 6707 1 14 . 1 1 61 61 GLU CA C 61 52.464 52.464 57.078 -4.614 18118 6708 1 14 . 1 1 61 61 GLU CB C 61 29.517 29.517 30.100 -0.583 18118 6709 1 14 . 1 1 61 61 GLU H H 61 8.832 8.832 8.703 0.129 18118 6710 1 14 . 1 1 62 62 MET N N 62 121.191 121.191 126.630 -5.439 18118 6711 1 14 . 1 1 62 62 MET HA H 62 5.131 5.131 4.694 0.437 18118 6712 1 14 . 1 1 62 62 MET CA C 62 49.938 49.938 54.556 -4.618 18118 6713 1 14 . 1 1 62 62 MET CB C 62 30.874 30.874 35.537 -4.663 18118 6714 1 14 . 1 1 62 62 MET H H 62 8.854 8.854 7.913 0.941 18118 6715 1 14 . 1 1 63 63 GLU N N 63 117.598 117.598 123.164 -5.566 18118 6716 1 14 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.055 0.016 18118 6717 1 14 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.875 -1.720 18118 6718 1 14 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.446 -2.366 18118 6719 1 14 . 1 1 63 63 GLU H H 63 8.092 8.092 8.782 -0.690 18118 6720 1 14 . 1 1 64 64 SER N N 64 109.627 109.627 108.950 0.677 18118 6721 1 14 . 1 1 64 64 SER HA H 64 4.113 4.113 4.273 -0.160 18118 6722 1 14 . 1 1 64 64 SER CA C 64 54.607 54.607 57.232 -2.625 18118 6723 1 14 . 1 1 64 64 SER CB C 64 65.273 65.273 65.488 -0.215 18118 6724 1 14 . 1 1 64 64 SER H H 64 7.710 7.710 7.532 0.178 18118 6725 1 14 . 1 1 65 65 GLU N N 65 121.394 121.394 122.350 -0.956 18118 6726 1 14 . 1 1 65 65 GLU HA H 65 3.485 3.485 4.016 -0.531 18118 6727 1 14 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.271 -4.171 18118 6728 1 14 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.878 -3.596 18118 6729 1 14 . 1 1 65 65 GLU H H 65 8.364 8.364 8.956 -0.592 18118 6730 1 14 . 1 1 66 66 GLN N N 66 118.987 118.987 117.105 1.882 18118 6731 1 14 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.064 -0.162 18118 6732 1 14 . 1 1 66 66 GLN CA C 66 56.438 56.438 58.847 -2.409 18118 6733 1 14 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.131 -2.737 18118 6734 1 14 . 1 1 66 66 GLN H H 66 7.979 7.979 8.495 -0.516 18118 6735 1 14 . 1 1 67 67 ASP N N 67 118.539 118.539 118.422 0.117 18118 6736 1 14 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.550 -0.216 18118 6737 1 14 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.802 -1.075 18118 6738 1 14 . 1 1 67 67 ASP CB C 67 41.607 41.607 41.125 0.482 18118 6739 1 14 . 1 1 67 67 ASP H H 67 7.325 7.325 8.068 -0.743 18118 6740 1 14 . 1 1 68 68 VAL N N 68 119.502 119.502 121.631 -2.129 18118 6741 1 14 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.687 -0.512 18118 6742 1 14 . 1 1 68 68 VAL CA C 68 64.830 64.830 65.648 -0.818 18118 6743 1 14 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.694 -2.860 18118 6744 1 14 . 1 1 68 68 VAL H H 68 7.165 7.165 7.072 0.093 18118 6745 1 14 . 1 1 69 69 GLN N N 69 115.899 115.899 118.264 -2.365 18118 6746 1 14 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.995 -0.261 18118 6747 1 14 . 1 1 69 69 GLN CA C 69 56.404 56.404 59.258 -2.854 18118 6748 1 14 . 1 1 69 69 GLN CB C 69 25.212 25.212 28.064 -2.852 18118 6749 1 14 . 1 1 69 69 GLN H H 69 7.718 7.718 8.383 -0.665 18118 6750 1 14 . 1 1 70 70 LYS N N 70 118.403 118.403 116.965 1.438 18118 6751 1 14 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.056 -0.128 18118 6752 1 14 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.218 -2.281 18118 6753 1 14 . 1 1 70 70 LYS CB C 70 29.946 29.946 31.370 -1.424 18118 6754 1 14 . 1 1 70 70 LYS H H 70 7.767 7.767 7.435 0.332 18118 6755 1 14 . 1 1 71 71 ALA N N 71 124.650 124.650 121.335 3.315 18118 6756 1 14 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.140 -0.113 18118 6757 1 14 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.444 -1.701 18118 6758 1 14 . 1 1 71 71 ALA CB C 71 16.114 16.114 17.947 -1.833 18118 6759 1 14 . 1 1 71 71 ALA H H 71 8.160 8.160 7.284 0.876 18118 6760 1 14 . 1 1 72 72 LEU N N 72 116.557 116.557 119.615 -3.058 18118 6761 1 14 . 1 1 72 72 LEU HA H 72 3.794 3.794 4.080 -0.286 18118 6762 1 14 . 1 1 72 72 LEU CA C 72 54.664 54.664 57.947 -3.283 18118 6763 1 14 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.364 -2.531 18118 6764 1 14 . 1 1 72 72 LEU H H 72 8.055 8.055 8.390 -0.335 18118 6765 1 14 . 1 1 73 73 GLU N N 73 117.807 117.807 118.610 -0.803 18118 6766 1 14 . 1 1 73 73 GLU HA H 73 4.090 4.090 4.095 -0.005 18118 6767 1 14 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.510 -4.048 18118 6768 1 14 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.208 -2.402 18118 6769 1 14 . 1 1 73 73 GLU H H 73 7.369 7.369 8.091 -0.722 18118 6770 1 14 . 1 1 74 74 LYS N N 74 116.715 116.715 117.138 -0.423 18118 6771 1 14 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.437 -0.245 18118 6772 1 14 . 1 1 74 74 LYS CA C 74 51.741 51.741 55.298 -3.557 18118 6773 1 14 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.265 -2.801 18118 6774 1 14 . 1 1 74 74 LYS H H 74 7.805 7.805 7.752 0.053 18118 6775 1 14 . 1 1 75 75 HIS N N 75 117.177 117.177 117.910 -0.733 18118 6776 1 14 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.313 0.015 18118 6777 1 14 . 1 1 75 75 HIS CA C 75 55.811 55.811 59.479 -3.668 18118 6778 1 14 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.172 0.411 18118 6779 1 14 . 1 1 75 75 HIS H H 75 7.184 7.184 8.466 -1.282 18118 6780 1 14 . 1 1 76 76 ARG N N 76 121.753 121.753 117.183 4.570 18118 6781 1 14 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.393 -0.087 18118 6782 1 14 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.769 -0.049 18118 6783 1 14 . 1 1 76 76 ARG CB C 76 33.288 33.288 30.054 3.234 18118 6784 1 14 . 1 1 76 76 ARG H H 76 9.042 9.042 7.600 1.442 18118 6785 1 14 . 1 1 77 77 MET N N 77 117.206 117.206 118.169 -0.963 18118 6786 1 14 . 1 1 77 77 MET HA H 77 4.598 4.598 4.896 -0.298 18118 6787 1 14 . 1 1 77 77 MET CA C 77 52.590 52.590 54.828 -2.238 18118 6788 1 14 . 1 1 77 77 MET CB C 77 31.234 31.234 34.916 -3.682 18118 6789 1 14 . 1 1 77 77 MET H H 77 7.835 7.835 7.883 -0.048 18118 6790 1 14 . 1 1 78 78 TYR N N 78 117.960 117.960 117.651 0.309 18118 6791 1 14 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.854 -0.252 18118 6792 1 14 . 1 1 78 78 TYR CA C 78 56.028 56.028 56.421 -0.393 18118 6793 1 14 . 1 1 78 78 TYR CB C 78 37.334 37.334 40.394 -3.060 18118 6794 1 14 . 1 1 78 78 TYR H H 78 8.359 8.359 8.348 0.012 18118 6795 1 14 . 1 1 79 79 MET N N 79 124.673 124.673 120.194 4.479 18118 6796 1 14 . 1 1 79 79 MET HA H 79 4.325 4.325 4.332 -0.007 18118 6797 1 14 . 1 1 79 79 MET CA C 79 52.338 52.338 54.418 -2.080 18118 6798 1 14 . 1 1 79 79 MET CB C 79 31.907 31.907 34.732 -2.825 18118 6799 1 14 . 1 1 79 79 MET H H 79 8.642 8.642 7.868 0.774 18118 6800 1 14 . 1 1 80 80 GLY N N 80 115.191 115.191 105.917 9.274 18118 6801 1 14 . 1 1 80 80 GLY CA C 80 44.426 44.426 47.201 -2.775 18118 6802 1 14 . 1 1 80 80 GLY H H 80 8.709 8.709 8.591 0.118 18118 6803 1 14 . 1 1 81 81 GLN N N 81 121.981 121.981 115.207 6.774 18118 6804 1 14 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.561 -0.414 18118 6805 1 14 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.778 -2.221 18118 6806 1 14 . 1 1 81 81 GLN CB C 81 26.736 26.736 29.441 -2.705 18118 6807 1 14 . 1 1 81 81 GLN H H 81 8.598 8.598 8.153 0.445 18118 6808 1 14 . 1 1 82 82 ARG N N 82 118.652 118.652 120.820 -2.168 18118 6809 1 14 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.729 -0.229 18118 6810 1 14 . 1 1 82 82 ARG CA C 82 51.593 51.593 55.020 -3.427 18118 6811 1 14 . 1 1 82 82 ARG CB C 82 29.507 29.507 32.763 -3.256 18118 6812 1 14 . 1 1 82 82 ARG H H 82 7.660 7.660 7.600 0.060 18118 6813 1 14 . 1 1 84 84 VAL N N 84 125.216 125.216 118.635 6.581 18118 6814 1 14 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.465 -0.147 18118 6815 1 14 . 1 1 84 84 VAL CA C 84 58.647 58.647 60.552 -1.905 18118 6816 1 14 . 1 1 84 84 VAL CB C 84 31.015 31.015 35.624 -4.609 18118 6817 1 14 . 1 1 84 84 VAL H H 84 8.222 8.222 8.233 -0.011 18118 6818 1 14 . 1 1 86 86 VAL N N 86 120.000 120.000 123.477 -3.477 18118 6819 1 14 . 1 1 86 86 VAL HA H 86 4.807 4.807 5.032 -0.225 18118 6820 1 14 . 1 1 86 86 VAL CA C 86 58.928 58.928 60.419 -1.491 18118 6821 1 14 . 1 1 86 86 VAL CB C 86 33.201 33.201 35.071 -1.870 18118 6822 1 14 . 1 1 87 87 TYR N N 87 120.377 120.377 124.065 -3.688 18118 6823 1 14 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.810 -0.186 18118 6824 1 14 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.392 -2.948 18118 6825 1 14 . 1 1 87 87 TYR CB C 87 40.105 40.105 42.833 -2.728 18118 6826 1 14 . 1 1 87 87 TYR H H 87 8.731 8.731 8.889 -0.158 18118 6827 1 14 . 1 1 88 88 GLU N N 88 122.304 122.304 120.367 1.937 18118 6828 1 14 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.565 -0.215 18118 6829 1 14 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.201 -2.561 18118 6830 1 14 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.711 -2.281 18118 6831 1 14 . 1 1 88 88 GLU H H 88 8.873 8.873 8.901 -0.028 18118 6832 1 14 . 1 1 89 89 ILE N N 89 125.082 125.082 120.188 4.894 18118 6833 1 14 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.239 0.019 18118 6834 1 14 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.391 -3.560 18118 6835 1 14 . 1 1 89 89 ILE CB C 89 34.985 34.985 38.532 -3.547 18118 6836 1 14 . 1 1 89 89 ILE H H 89 7.983 7.983 8.096 -0.113 18118 6837 1 14 . 1 1 90 90 ASN N N 90 126.142 126.142 120.736 5.406 18118 6838 1 14 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.824 -0.233 18118 6839 1 14 . 1 1 90 90 ASN CA C 90 50.615 50.615 52.744 -2.129 18118 6840 1 14 . 1 1 90 90 ASN CB C 90 36.638 36.638 39.291 -2.653 18118 6841 1 14 . 1 1 90 90 ASN H H 90 8.890 8.890 8.310 0.580 18118 6842 1 14 . 1 1 91 91 ASN N N 91 121.333 121.333 123.796 -2.463 18118 6843 1 14 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.316 -0.020 18118 6844 1 14 . 1 1 91 91 ASN CA C 91 53.950 53.950 55.625 -1.675 18118 6845 1 14 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.611 -2.306 18118 6846 1 14 . 1 1 91 91 ASN H H 91 8.867 8.867 9.431 -0.564 18118 6847 1 14 . 1 1 92 92 GLU N N 92 117.848 117.848 118.514 -0.666 18118 6848 1 14 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.024 0.068 18118 6849 1 14 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.733 -3.182 18118 6850 1 14 . 1 1 92 92 GLU CB C 92 26.767 26.767 29.261 -2.494 18118 6851 1 14 . 1 1 92 92 GLU H H 92 8.869 8.869 8.388 0.481 18118 6852 1 14 . 1 1 93 93 ASP N N 93 118.819 118.819 117.474 1.345 18118 6853 1 14 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.883 -0.231 18118 6854 1 14 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.742 -2.606 18118 6855 1 14 . 1 1 93 93 ASP CB C 93 39.522 39.522 42.280 -2.758 18118 6856 1 14 . 1 1 93 93 ASP H H 93 7.965 7.965 8.152 -0.187 18118 6857 1 14 . 1 1 94 94 VAL N N 94 120.480 120.480 121.036 -0.556 18118 6858 1 14 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.603 -0.329 18118 6859 1 14 . 1 1 94 94 VAL CA C 94 64.179 64.179 67.050 -2.871 18118 6860 1 14 . 1 1 94 94 VAL CB C 94 29.477 29.477 31.838 -2.361 18118 6861 1 14 . 1 1 94 94 VAL H H 94 7.406 7.406 7.793 -0.387 18118 6862 1 14 . 1 1 95 95 ASP N N 95 119.806 119.806 119.978 -0.172 18118 6863 1 14 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.244 -0.089 18118 6864 1 14 . 1 1 95 95 ASP CA C 95 55.216 55.216 58.278 -3.062 18118 6865 1 14 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.378 -1.751 18118 6866 1 14 . 1 1 95 95 ASP H H 95 8.342 8.342 8.112 0.230 18118 6867 1 14 . 1 1 96 96 ALA N N 96 119.946 119.946 121.499 -1.553 18118 6868 1 14 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.140 -0.214 18118 6869 1 14 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.607 -2.467 18118 6870 1 14 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.584 -2.908 18118 6871 1 14 . 1 1 96 96 ALA H H 96 8.162 8.162 7.957 0.205 18118 6872 1 14 . 1 1 97 97 LEU N N 97 119.391 119.391 118.866 0.525 18118 6873 1 14 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.963 0.022 18118 6874 1 14 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.713 -2.882 18118 6875 1 14 . 1 1 97 97 LEU CB C 97 39.438 39.438 41.962 -2.523 18118 6876 1 14 . 1 1 97 97 LEU H H 97 7.679 7.679 8.442 -0.763 18118 6877 1 14 . 1 1 98 98 MET N N 98 118.055 118.055 115.763 2.292 18118 6878 1 14 . 1 1 98 98 MET HA H 98 4.128 4.128 4.218 -0.090 18118 6879 1 14 . 1 1 98 98 MET CA C 98 54.606 54.606 58.114 -3.508 18118 6880 1 14 . 1 1 98 98 MET CB C 98 27.902 27.902 31.986 -4.084 18118 6881 1 14 . 1 1 98 98 MET H H 98 8.504 8.504 7.665 0.839 18118 6882 1 14 . 1 1 99 99 LYS N N 99 119.351 119.351 119.892 -0.541 18118 6883 1 14 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.076 -0.105 18118 6884 1 14 . 1 1 99 99 LYS CA C 99 56.301 56.301 58.777 -2.476 18118 6885 1 14 . 1 1 99 99 LYS CB C 99 29.692 29.692 31.526 -1.834 18118 6886 1 14 . 1 1 99 99 LYS H H 99 7.986 7.986 7.546 0.440 18118 6887 1 14 . 1 1 100 100 SER N N 100 114.964 114.964 114.948 0.016 18118 6888 1 14 . 1 1 100 100 SER HA H 100 4.268 4.268 4.317 -0.049 18118 6889 1 14 . 1 1 100 100 SER CA C 100 57.764 57.764 60.436 -2.672 18118 6890 1 14 . 1 1 100 100 SER CB C 100 60.753 60.753 63.106 -2.353 18118 6891 1 14 . 1 1 100 100 SER H H 100 7.711 7.711 7.775 -0.064 18118 6892 1 14 . 1 1 101 101 LEU N N 101 120.679 120.679 117.806 2.873 18118 6893 1 14 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.512 -0.352 18118 6894 1 14 . 1 1 101 101 LEU CA C 101 52.893 52.893 54.141 -1.248 18118 6895 1 14 . 1 1 101 101 LEU CB C 101 39.541 39.541 42.524 -2.983 18118 6896 1 14 . 1 1 101 101 LEU H H 101 7.405 7.405 7.728 -0.323 18118 6897 1 14 . 1 1 102 102 GLN N N 102 117.646 117.646 120.504 -2.858 18118 6898 1 14 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.312 -0.117 18118 6899 1 14 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.665 -2.305 18118 6900 1 14 . 1 1 102 102 GLN CB C 102 26.480 26.480 26.654 -0.174 18118 6901 1 14 . 1 1 102 102 GLN H H 102 7.588 7.588 8.176 -0.588 18118 6902 1 14 . 1 1 103 103 VAL N N 103 120.269 120.269 121.919 -1.650 18118 6903 1 14 . 1 1 103 103 VAL HA H 103 4.015 4.015 3.911 0.104 18118 6904 1 14 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.616 -2.861 18118 6905 1 14 . 1 1 103 103 VAL CB C 103 30.579 30.579 30.263 0.316 18118 6906 1 14 . 1 1 103 103 VAL H H 103 7.839 7.839 7.888 -0.049 18118 6907 1 14 . 1 1 104 104 LYS N N 104 125.201 125.201 122.294 2.907 18118 6908 1 14 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.367 -0.024 18118 6909 1 14 . 1 1 104 104 LYS CA C 104 53.348 53.348 55.762 -2.414 18118 6910 1 14 . 1 1 104 104 LYS CB C 104 30.634 30.634 32.593 -1.958 18118 6911 1 14 . 1 1 104 104 LYS H H 104 8.364 8.364 7.533 0.831 18118 6912 1 14 . 1 1 105 105 SER N N 105 117.664 117.664 120.179 -2.515 18118 6913 1 14 . 1 1 105 105 SER HA H 105 4.401 4.401 4.617 -0.216 18118 6914 1 14 . 1 1 105 105 SER CA C 105 55.611 55.611 57.591 -1.980 18118 6915 1 14 . 1 1 105 105 SER CB C 105 61.286 61.286 63.718 -2.432 18118 6916 1 14 . 1 1 105 105 SER H H 105 8.354 8.354 8.414 -0.060 18118 6917 1 15 . 1 1 2 2 SER N N 2 118.867 118.867 117.638 1.229 18118 6918 1 15 . 1 1 2 2 SER HA H 2 4.707 4.707 4.455 0.252 18118 6919 1 15 . 1 1 2 2 SER CA C 2 55.678 55.678 59.548 -3.870 18118 6920 1 15 . 1 1 2 2 SER CB C 2 61.009 61.009 63.289 -2.280 18118 6921 1 15 . 1 1 2 2 SER H H 2 8.195 8.195 8.311 -0.116 18118 6922 1 15 . 1 1 3 3 LYS N N 3 123.188 123.188 122.864 0.324 18118 6923 1 15 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.219 -2.511 18118 6924 1 15 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.511 -2.137 18118 6925 1 15 . 1 1 3 3 LYS H H 3 8.427 8.427 8.342 0.085 18118 6926 1 15 . 1 1 4 4 LEU N N 4 123.342 123.342 124.230 -0.888 18118 6927 1 15 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.283 -0.079 18118 6928 1 15 . 1 1 4 4 LEU CA C 4 52.990 52.990 55.503 -2.513 18118 6929 1 15 . 1 1 4 4 LEU CB C 4 39.667 39.667 42.637 -2.970 18118 6930 1 15 . 1 1 4 4 LEU H H 4 8.311 8.311 8.120 0.191 18118 6931 1 15 . 1 1 5 5 GLU N N 5 120.431 120.431 119.085 1.346 18118 6932 1 15 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.420 -0.263 18118 6933 1 15 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.030 -1.800 18118 6934 1 15 . 1 1 5 5 GLU CB C 5 27.847 27.847 30.286 -2.439 18118 6935 1 15 . 1 1 5 5 GLU H H 5 8.321 8.321 8.536 -0.215 18118 6936 1 15 . 1 1 6 6 GLU N N 6 120.027 120.027 115.769 4.258 18118 6937 1 15 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.528 -0.337 18118 6938 1 15 . 1 1 6 6 GLU CA C 6 53.842 53.842 55.681 -1.839 18118 6939 1 15 . 1 1 6 6 GLU CB C 6 27.723 27.723 31.210 -3.487 18118 6940 1 15 . 1 1 6 6 GLU H H 6 8.177 8.177 7.699 0.478 18118 6941 1 15 . 1 1 7 7 GLU N N 7 121.663 121.663 119.643 2.020 18118 6942 1 15 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.431 -0.240 18118 6943 1 15 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.657 -2.978 18118 6944 1 15 . 1 1 7 7 GLU CB C 7 27.548 27.548 31.127 -3.579 18118 6945 1 15 . 1 1 7 7 GLU H H 7 8.228 8.228 8.774 -0.546 18118 6946 1 15 . 1 1 8 8 VAL N N 8 120.733 120.733 118.216 2.517 18118 6947 1 15 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.283 -0.197 18118 6948 1 15 . 1 1 8 8 VAL CA C 8 59.139 59.139 61.082 -1.943 18118 6949 1 15 . 1 1 8 8 VAL CB C 8 30.700 30.700 32.801 -2.102 18118 6950 1 15 . 1 1 8 8 VAL H H 8 8.102 8.102 7.617 0.485 18118 6951 1 15 . 1 1 9 9 ASP N N 9 124.190 124.190 120.849 3.341 18118 6952 1 15 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.630 -0.073 18118 6953 1 15 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.355 -3.175 18118 6954 1 15 . 1 1 9 9 ASP CB C 9 38.781 38.781 42.521 -3.740 18118 6955 1 15 . 1 1 9 9 ASP H H 9 8.313 8.313 8.439 -0.126 18118 6956 1 15 . 1 1 10 10 ASP N N 10 120.966 120.966 120.345 0.621 18118 6957 1 15 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.588 -0.209 18118 6958 1 15 . 1 1 10 10 ASP CA C 10 51.555 51.555 54.730 -3.175 18118 6959 1 15 . 1 1 10 10 ASP CB C 10 39.138 39.138 40.417 -1.279 18118 6960 1 15 . 1 1 10 10 ASP H H 10 8.106 8.106 8.489 -0.383 18118 6961 1 15 . 1 1 11 11 VAL N N 11 119.321 119.321 121.473 -2.152 18118 6962 1 15 . 1 1 11 11 VAL HA H 11 3.919 3.919 4.088 -0.169 18118 6963 1 15 . 1 1 11 11 VAL CA C 11 58.721 58.721 60.704 -1.983 18118 6964 1 15 . 1 1 11 11 VAL CB C 11 31.300 31.300 34.801 -3.501 18118 6965 1 15 . 1 1 11 11 VAL H H 11 7.528 7.528 7.619 -0.091 18118 6966 1 15 . 1 1 12 12 PHE N N 12 125.723 125.723 125.913 -0.190 18118 6967 1 15 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.741 -0.155 18118 6968 1 15 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.507 -1.743 18118 6969 1 15 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.105 -0.407 18118 6970 1 15 . 1 1 12 12 PHE H H 12 8.573 8.573 8.350 0.223 18118 6971 1 15 . 1 1 13 13 LEU N N 13 123.923 123.923 121.138 2.785 18118 6972 1 15 . 1 1 13 13 LEU HA H 13 5.232 5.232 4.825 0.407 18118 6973 1 15 . 1 1 13 13 LEU CA C 13 51.361 51.361 54.224 -2.863 18118 6974 1 15 . 1 1 13 13 LEU CB C 13 44.651 44.651 46.308 -1.657 18118 6975 1 15 . 1 1 13 13 LEU H H 13 8.794 8.794 7.487 1.307 18118 6976 1 15 . 1 1 14 14 ILE N N 14 114.563 114.563 117.165 -2.602 18118 6977 1 15 . 1 1 14 14 ILE HA H 14 4.891 4.891 4.999 -0.108 18118 6978 1 15 . 1 1 14 14 ILE CA C 14 55.381 55.381 59.401 -4.019 18118 6979 1 15 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.623 -3.305 18118 6980 1 15 . 1 1 14 14 ILE H H 14 8.316 8.316 8.068 0.248 18118 6981 1 15 . 1 1 15 15 ARG N N 15 122.555 122.555 118.584 3.971 18118 6982 1 15 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.278 0.056 18118 6983 1 15 . 1 1 15 15 ARG CA C 15 51.293 51.293 53.853 -2.560 18118 6984 1 15 . 1 1 15 15 ARG CB C 15 31.850 31.850 34.402 -2.552 18118 6985 1 15 . 1 1 15 15 ARG H H 15 9.231 9.231 9.155 0.076 18118 6986 1 15 . 1 1 16 16 ALA N N 16 127.755 127.755 123.095 4.660 18118 6987 1 15 . 1 1 16 16 ALA HA H 16 5.696 5.696 4.961 0.735 18118 6988 1 15 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.368 -3.593 18118 6989 1 15 . 1 1 16 16 ALA CB C 16 18.337 18.337 22.005 -3.668 18118 6990 1 15 . 1 1 16 16 ALA H H 16 9.005 9.005 8.440 0.565 18118 6991 1 15 . 1 1 17 17 GLN N N 17 121.076 121.076 118.498 2.578 18118 6992 1 15 . 1 1 17 17 GLN HA H 17 5.135 5.135 4.761 0.374 18118 6993 1 15 . 1 1 17 17 GLN CA C 17 51.832 51.832 55.337 -3.505 18118 6994 1 15 . 1 1 17 17 GLN CB C 17 30.738 30.738 32.989 -2.251 18118 6995 1 15 . 1 1 17 17 GLN H H 17 9.557 9.557 8.062 1.495 18118 6996 1 15 . 1 1 18 18 GLY N N 18 110.950 110.950 107.327 3.623 18118 6997 1 15 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.288 -2.466 18118 6998 1 15 . 1 1 18 18 GLY H H 18 8.294 8.294 8.592 -0.298 18118 6999 1 15 . 1 1 19 19 LEU N N 19 118.809 118.809 121.475 -2.666 18118 7000 1 15 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.275 -0.243 18118 7001 1 15 . 1 1 19 19 LEU CA C 19 50.705 50.705 53.100 -2.396 18118 7002 1 15 . 1 1 19 19 LEU CB C 19 37.568 37.568 41.258 -3.690 18118 7003 1 15 . 1 1 19 19 LEU H H 19 8.292 8.292 7.675 0.617 18118 7004 1 15 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.073 0.219 18118 7005 1 15 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.282 -2.180 18118 7006 1 15 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.147 -2.947 18118 7007 1 15 . 1 1 21 21 TRP N N 21 124.383 124.383 120.232 4.151 18118 7008 1 15 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.497 0.193 18118 7009 1 15 . 1 1 21 21 TRP CA C 21 56.237 56.237 59.322 -3.085 18118 7010 1 15 . 1 1 21 21 TRP CB C 21 25.965 25.965 28.273 -2.308 18118 7011 1 15 . 1 1 21 21 TRP H H 21 8.527 8.527 7.637 0.890 18118 7012 1 15 . 1 1 22 22 SER N N 22 109.532 109.532 117.051 -7.519 18118 7013 1 15 . 1 1 22 22 SER HA H 22 4.099 4.099 4.455 -0.356 18118 7014 1 15 . 1 1 22 22 SER CA C 22 54.162 54.162 58.987 -4.825 18118 7015 1 15 . 1 1 22 22 SER CB C 22 60.334 60.334 61.190 -0.856 18118 7016 1 15 . 1 1 22 22 SER H H 22 7.436 7.436 8.525 -1.089 18118 7017 1 15 . 1 1 23 23 CYS N N 23 119.744 119.744 120.399 -0.655 18118 7018 1 15 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.242 0.224 18118 7019 1 15 . 1 1 23 23 CYS CA C 23 55.975 55.975 60.944 -4.969 18118 7020 1 15 . 1 1 23 23 CYS CB C 23 25.489 25.489 27.950 -2.461 18118 7021 1 15 . 1 1 23 23 CYS H H 23 7.221 7.221 7.766 -0.544 18118 7022 1 15 . 1 1 24 24 THR N N 24 115.371 115.371 122.084 -6.713 18118 7023 1 15 . 1 1 24 24 THR HA H 24 4.697 4.697 4.532 0.165 18118 7024 1 15 . 1 1 24 24 THR CA C 24 57.172 57.172 61.245 -4.073 18118 7025 1 15 . 1 1 24 24 THR CB C 24 56.222 56.222 70.614 -14.392 18118 7026 1 15 . 1 1 24 24 THR H H 24 9.082 9.082 7.879 1.203 18118 7027 1 15 . 1 1 25 25 MET N N 25 118.539 118.539 121.709 -3.170 18118 7028 1 15 . 1 1 25 25 MET HA H 25 4.161 4.161 4.124 0.037 18118 7029 1 15 . 1 1 25 25 MET CA C 25 57.241 57.241 58.132 -0.890 18118 7030 1 15 . 1 1 25 25 MET CB C 25 29.452 29.452 32.355 -2.904 18118 7031 1 15 . 1 1 25 25 MET H H 25 8.794 8.794 8.666 0.128 18118 7032 1 15 . 1 1 26 26 GLU N N 26 118.967 118.967 119.411 -0.444 18118 7033 1 15 . 1 1 26 26 GLU HA H 26 3.802 3.802 3.861 -0.059 18118 7034 1 15 . 1 1 26 26 GLU CA C 26 57.247 57.247 59.772 -2.525 18118 7035 1 15 . 1 1 26 26 GLU CB C 26 26.663 26.663 29.123 -2.460 18118 7036 1 15 . 1 1 26 26 GLU H H 26 8.462 8.462 8.474 -0.012 18118 7037 1 15 . 1 1 27 27 ASP N N 27 118.711 118.711 118.343 0.368 18118 7038 1 15 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.456 -0.157 18118 7039 1 15 . 1 1 27 27 ASP CA C 27 55.071 55.071 56.976 -1.905 18118 7040 1 15 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.593 -1.937 18118 7041 1 15 . 1 1 27 27 ASP H H 27 7.812 7.812 7.691 0.121 18118 7042 1 15 . 1 1 28 28 VAL N N 28 120.825 120.825 120.085 0.740 18118 7043 1 15 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.665 -0.221 18118 7044 1 15 . 1 1 28 28 VAL CA C 28 64.841 64.841 65.518 -0.677 18118 7045 1 15 . 1 1 28 28 VAL CB C 28 29.052 29.052 31.297 -2.245 18118 7046 1 15 . 1 1 28 28 VAL H H 28 7.528 7.528 7.526 0.002 18118 7047 1 15 . 1 1 29 29 LEU N N 29 120.586 120.586 121.238 -0.652 18118 7048 1 15 . 1 1 29 29 LEU HA H 29 3.778 3.778 3.924 -0.146 18118 7049 1 15 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.534 -2.552 18118 7050 1 15 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.085 -2.131 18118 7051 1 15 . 1 1 29 29 LEU H H 29 8.399 8.399 8.477 -0.078 18118 7052 1 15 . 1 1 30 30 ASN N N 30 114.059 114.059 116.091 -2.032 18118 7053 1 15 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.471 -0.073 18118 7054 1 15 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.247 -3.767 18118 7055 1 15 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.682 -2.550 18118 7056 1 15 . 1 1 30 30 ASN H H 30 8.156 8.156 7.947 0.209 18118 7057 1 15 . 1 1 31 31 PHE N N 31 123.816 123.816 121.720 2.096 18118 7058 1 15 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.100 0.027 18118 7059 1 15 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.515 -1.696 18118 7060 1 15 . 1 1 31 31 PHE CB C 31 37.176 37.176 38.868 -1.692 18118 7061 1 15 . 1 1 31 31 PHE H H 31 8.033 8.033 8.052 -0.019 18118 7062 1 15 . 1 1 32 32 PHE N N 32 115.681 115.681 113.947 1.734 18118 7063 1 15 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.717 -0.064 18118 7064 1 15 . 1 1 32 32 PHE CA C 32 54.039 54.039 55.039 -1.000 18118 7065 1 15 . 1 1 32 32 PHE CB C 32 35.047 35.047 38.507 -3.460 18118 7066 1 15 . 1 1 32 32 PHE H H 32 7.622 7.622 8.046 -0.424 18118 7067 1 15 . 1 1 33 33 SER N N 33 113.797 113.797 117.748 -3.951 18118 7068 1 15 . 1 1 33 33 SER HA H 33 4.111 4.111 4.278 -0.167 18118 7069 1 15 . 1 1 33 33 SER CA C 33 59.041 59.041 60.905 -1.864 18118 7070 1 15 . 1 1 33 33 SER CB C 33 60.339 60.339 63.055 -2.716 18118 7071 1 15 . 1 1 33 33 SER H H 33 6.834 6.834 7.982 -1.148 18118 7072 1 15 . 1 1 34 34 ASP N N 34 119.155 119.155 119.852 -0.697 18118 7073 1 15 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.890 -0.309 18118 7074 1 15 . 1 1 34 34 ASP CA C 34 51.606 51.606 52.510 -0.904 18118 7075 1 15 . 1 1 34 34 ASP CB C 34 37.727 37.727 41.172 -3.445 18118 7076 1 15 . 1 1 34 34 ASP H H 34 8.717 8.717 7.874 0.843 18118 7077 1 15 . 1 1 35 35 CYS N N 35 117.269 117.269 116.531 0.738 18118 7078 1 15 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.956 -0.448 18118 7079 1 15 . 1 1 35 35 CYS CA C 35 54.961 54.961 55.896 -0.935 18118 7080 1 15 . 1 1 35 35 CYS CB C 35 27.986 27.986 31.089 -3.103 18118 7081 1 15 . 1 1 35 35 CYS H H 35 8.009 8.009 7.785 0.224 18118 7082 1 15 . 1 1 36 36 ARG N N 36 123.980 123.980 121.387 2.593 18118 7083 1 15 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.613 -0.324 18118 7084 1 15 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.639 -1.911 18118 7085 1 15 . 1 1 36 36 ARG CB C 36 26.279 26.279 31.301 -5.022 18118 7086 1 15 . 1 1 36 36 ARG H H 36 8.666 8.666 8.543 0.123 18118 7087 1 15 . 1 1 37 37 ILE N N 37 128.014 128.014 125.192 2.822 18118 7088 1 15 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.102 0.109 18118 7089 1 15 . 1 1 37 37 ILE CA C 37 58.579 58.579 62.375 -3.796 18118 7090 1 15 . 1 1 37 37 ILE CB C 37 36.026 36.026 38.635 -2.609 18118 7091 1 15 . 1 1 37 37 ILE H H 37 8.084 8.084 8.805 -0.721 18118 7092 1 15 . 1 1 38 38 ARG N N 38 133.264 133.264 128.645 4.619 18118 7093 1 15 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.044 -0.199 18118 7094 1 15 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.632 -2.865 18118 7095 1 15 . 1 1 38 38 ARG CB C 38 27.829 27.829 31.013 -3.184 18118 7096 1 15 . 1 1 38 38 ARG H H 38 8.662 8.662 8.702 -0.040 18118 7097 1 15 . 1 1 39 39 ASN N N 39 117.723 117.723 120.445 -2.722 18118 7098 1 15 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.336 -0.154 18118 7099 1 15 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.685 -2.983 18118 7100 1 15 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.721 -2.875 18118 7101 1 15 . 1 1 39 39 ASN H H 39 8.992 8.992 9.408 -0.416 18118 7102 1 15 . 1 1 40 40 GLY N N 40 108.314 108.314 107.469 0.845 18118 7103 1 15 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.691 -2.408 18118 7104 1 15 . 1 1 40 40 GLY H H 40 7.949 7.949 8.197 -0.248 18118 7105 1 15 . 1 1 41 41 GLU N N 41 124.398 124.398 121.034 3.364 18118 7106 1 15 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.513 -0.701 18118 7107 1 15 . 1 1 41 41 GLU CA C 41 56.741 56.741 56.639 0.103 18118 7108 1 15 . 1 1 41 41 GLU CB C 41 26.718 26.718 31.016 -4.298 18118 7109 1 15 . 1 1 41 41 GLU H H 41 9.235 9.235 7.993 1.242 18118 7110 1 15 . 1 1 42 42 ASN N N 42 113.155 113.155 119.792 -6.637 18118 7111 1 15 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.622 -0.115 18118 7112 1 15 . 1 1 42 42 ASN CA C 42 51.901 51.901 55.580 -3.679 18118 7113 1 15 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.813 -2.748 18118 7114 1 15 . 1 1 42 42 ASN H H 42 7.523 7.523 8.036 -0.513 18118 7115 1 15 . 1 1 43 43 GLY N N 43 109.898 109.898 106.229 3.669 18118 7116 1 15 . 1 1 43 43 GLY CA C 43 42.561 42.561 45.223 -2.662 18118 7117 1 15 . 1 1 43 43 GLY H H 43 8.131 8.131 7.785 0.346 18118 7118 1 15 . 1 1 44 44 ILE N N 44 119.116 119.116 123.118 -4.002 18118 7119 1 15 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.206 -0.429 18118 7120 1 15 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.459 -4.179 18118 7121 1 15 . 1 1 44 44 ILE CB C 44 36.145 36.145 37.057 -0.912 18118 7122 1 15 . 1 1 44 44 ILE H H 44 6.715 6.715 7.403 -0.688 18118 7123 1 15 . 1 1 45 45 HIS N N 45 124.064 124.064 128.498 -4.434 18118 7124 1 15 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.576 0.307 18118 7125 1 15 . 1 1 45 45 HIS CA C 45 49.681 49.681 56.321 -6.640 18118 7126 1 15 . 1 1 45 45 HIS CB C 45 25.934 25.934 32.436 -6.502 18118 7127 1 15 . 1 1 45 45 HIS H H 45 8.493 8.493 9.301 -0.808 18118 7128 1 15 . 1 1 46 46 PHE N N 46 123.886 123.886 120.730 3.156 18118 7129 1 15 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.877 -0.314 18118 7130 1 15 . 1 1 46 46 PHE CA C 46 57.122 57.122 56.863 0.259 18118 7131 1 15 . 1 1 46 46 PHE CB C 46 36.299 36.299 41.268 -4.969 18118 7132 1 15 . 1 1 46 46 PHE H H 46 9.014 9.014 7.237 1.777 18118 7133 1 15 . 1 1 47 47 LEU N N 47 124.343 124.343 125.894 -1.551 18118 7134 1 15 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.590 -0.086 18118 7135 1 15 . 1 1 47 47 LEU CA C 47 51.885 51.885 54.258 -2.373 18118 7136 1 15 . 1 1 47 47 LEU CB C 47 38.896 38.896 42.371 -3.475 18118 7137 1 15 . 1 1 47 47 LEU H H 47 8.066 8.066 8.905 -0.839 18118 7138 1 15 . 1 1 48 48 LEU N N 48 122.809 122.809 122.803 0.006 18118 7139 1 15 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.652 0.173 18118 7140 1 15 . 1 1 48 48 LEU CA C 48 50.930 50.930 52.586 -1.656 18118 7141 1 15 . 1 1 48 48 LEU CB C 48 41.655 41.655 43.368 -1.713 18118 7142 1 15 . 1 1 48 48 LEU H H 48 8.754 8.754 8.227 0.527 18118 7143 1 15 . 1 1 49 49 ASN N N 49 119.420 119.420 117.710 1.710 18118 7144 1 15 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.679 0.112 18118 7145 1 15 . 1 1 49 49 ASN CA C 49 48.595 48.595 53.107 -4.512 18118 7146 1 15 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.635 -2.900 18118 7147 1 15 . 1 1 49 49 ASN H H 49 8.757 8.757 8.264 0.493 18118 7148 1 15 . 1 1 50 50 ARG N N 50 119.367 119.367 117.895 1.472 18118 7149 1 15 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.188 -0.162 18118 7150 1 15 . 1 1 50 50 ARG CA C 50 55.918 55.918 57.759 -1.841 18118 7151 1 15 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.302 -2.108 18118 7152 1 15 . 1 1 50 50 ARG H H 50 8.618 8.618 8.768 -0.150 18118 7153 1 15 . 1 1 51 51 ASP N N 51 116.650 116.650 116.766 -0.116 18118 7154 1 15 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.678 -0.093 18118 7155 1 15 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.797 -2.517 18118 7156 1 15 . 1 1 51 51 ASP CB C 51 38.544 38.544 41.300 -2.756 18118 7157 1 15 . 1 1 51 51 ASP H H 51 7.577 7.577 7.725 -0.148 18118 7158 1 15 . 1 1 52 52 GLY N N 52 107.719 107.719 108.477 -0.758 18118 7159 1 15 . 1 1 52 52 GLY CA C 52 43.341 43.341 46.029 -2.688 18118 7160 1 15 . 1 1 52 52 GLY H H 52 8.171 8.171 8.321 -0.150 18118 7161 1 15 . 1 1 53 53 LYS N N 53 119.174 119.174 118.191 0.983 18118 7162 1 15 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.765 -0.346 18118 7163 1 15 . 1 1 53 53 LYS CA C 53 51.788 51.788 55.036 -3.248 18118 7164 1 15 . 1 1 53 53 LYS CB C 53 30.976 30.976 32.605 -1.629 18118 7165 1 15 . 1 1 53 53 LYS H H 53 7.750 7.750 7.516 0.234 18118 7166 1 15 . 1 1 54 54 ARG N N 54 121.126 121.126 124.507 -3.381 18118 7167 1 15 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.454 -0.285 18118 7168 1 15 . 1 1 54 54 ARG CA C 54 54.949 54.949 56.737 -1.788 18118 7169 1 15 . 1 1 54 54 ARG CB C 54 28.054 28.054 32.201 -4.147 18118 7170 1 15 . 1 1 54 54 ARG H H 54 8.570 8.570 8.774 -0.204 18118 7171 1 15 . 1 1 55 55 ARG N N 55 121.856 121.856 118.620 3.236 18118 7172 1 15 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.632 -0.591 18118 7173 1 15 . 1 1 55 55 ARG CA C 55 53.172 53.172 55.553 -2.381 18118 7174 1 15 . 1 1 55 55 ARG CB C 55 29.692 29.692 33.447 -3.755 18118 7175 1 15 . 1 1 55 55 ARG H H 55 8.352 8.352 7.958 0.394 18118 7176 1 15 . 1 1 56 56 GLY N N 56 108.554 108.554 107.933 0.621 18118 7177 1 15 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.340 -0.879 18118 7178 1 15 . 1 1 56 56 GLY H H 56 8.683 8.683 8.641 0.042 18118 7179 1 15 . 1 1 57 57 ASP N N 57 117.136 117.136 118.037 -0.901 18118 7180 1 15 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.277 0.480 18118 7181 1 15 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.123 -2.879 18118 7182 1 15 . 1 1 57 57 ASP CB C 57 41.265 41.265 43.873 -2.608 18118 7183 1 15 . 1 1 57 57 ASP H H 57 8.018 8.018 7.553 0.465 18118 7184 1 15 . 1 1 58 58 ALA N N 58 122.425 122.425 119.466 2.959 18118 7185 1 15 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.944 0.161 18118 7186 1 15 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.922 -3.564 18118 7187 1 15 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.174 -2.730 18118 7188 1 15 . 1 1 58 58 ALA H H 58 9.137 9.137 7.969 1.168 18118 7189 1 15 . 1 1 59 59 LEU N N 59 121.454 121.454 120.738 0.716 18118 7190 1 15 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.143 0.104 18118 7191 1 15 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.899 -3.541 18118 7192 1 15 . 1 1 59 59 LEU CB C 59 42.166 42.166 45.701 -3.535 18118 7193 1 15 . 1 1 59 59 LEU H H 59 8.604 8.604 8.604 0.000 18118 7194 1 15 . 1 1 60 60 ILE N N 60 123.974 123.974 124.800 -0.826 18118 7195 1 15 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.605 0.233 18118 7196 1 15 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.731 -1.347 18118 7197 1 15 . 1 1 60 60 ILE CB C 60 38.147 38.147 39.329 -1.182 18118 7198 1 15 . 1 1 60 60 ILE H H 60 9.081 9.081 9.112 -0.031 18118 7199 1 15 . 1 1 61 61 GLU N N 61 126.177 126.177 126.901 -0.724 18118 7200 1 15 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.603 -0.058 18118 7201 1 15 . 1 1 61 61 GLU CA C 61 52.464 52.464 55.157 -2.693 18118 7202 1 15 . 1 1 61 61 GLU CB C 61 29.517 29.517 29.657 -0.140 18118 7203 1 15 . 1 1 61 61 GLU H H 61 8.832 8.832 8.468 0.364 18118 7204 1 15 . 1 1 62 62 MET N N 62 121.191 121.191 126.141 -4.950 18118 7205 1 15 . 1 1 62 62 MET HA H 62 5.131 5.131 4.640 0.491 18118 7206 1 15 . 1 1 62 62 MET CA C 62 49.938 49.938 54.804 -4.866 18118 7207 1 15 . 1 1 62 62 MET CB C 62 30.874 30.874 34.482 -3.608 18118 7208 1 15 . 1 1 62 62 MET H H 62 8.854 8.854 7.899 0.955 18118 7209 1 15 . 1 1 63 63 GLU N N 63 117.598 117.598 121.479 -3.881 18118 7210 1 15 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.263 -0.192 18118 7211 1 15 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.467 -1.312 18118 7212 1 15 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.658 -2.578 18118 7213 1 15 . 1 1 63 63 GLU H H 63 8.092 8.092 8.605 -0.513 18118 7214 1 15 . 1 1 64 64 SER N N 64 109.627 109.627 113.652 -4.025 18118 7215 1 15 . 1 1 64 64 SER HA H 64 4.113 4.113 3.744 0.369 18118 7216 1 15 . 1 1 64 64 SER CA C 64 54.607 54.607 56.607 -2.000 18118 7217 1 15 . 1 1 64 64 SER CB C 64 65.273 65.273 65.821 -0.548 18118 7218 1 15 . 1 1 64 64 SER H H 64 7.710 7.710 7.889 -0.179 18118 7219 1 15 . 1 1 65 65 GLU N N 65 121.394 121.394 122.258 -0.864 18118 7220 1 15 . 1 1 65 65 GLU HA H 65 3.485 3.485 4.046 -0.561 18118 7221 1 15 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.465 -4.365 18118 7222 1 15 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.959 -3.677 18118 7223 1 15 . 1 1 65 65 GLU H H 65 8.364 8.364 8.290 0.074 18118 7224 1 15 . 1 1 66 66 GLN N N 66 118.987 118.987 117.754 1.233 18118 7225 1 15 . 1 1 66 66 GLN HA H 66 3.902 3.902 3.909 -0.007 18118 7226 1 15 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.623 -3.185 18118 7227 1 15 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.266 -2.872 18118 7228 1 15 . 1 1 66 66 GLN H H 66 7.979 7.979 8.617 -0.638 18118 7229 1 15 . 1 1 67 67 ASP N N 67 118.539 118.539 117.884 0.655 18118 7230 1 15 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.398 -0.064 18118 7231 1 15 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.910 -1.183 18118 7232 1 15 . 1 1 67 67 ASP CB C 67 41.607 41.607 40.538 1.069 18118 7233 1 15 . 1 1 67 67 ASP H H 67 7.325 7.325 7.654 -0.329 18118 7234 1 15 . 1 1 68 68 VAL N N 68 119.502 119.502 120.667 -1.165 18118 7235 1 15 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.587 -0.412 18118 7236 1 15 . 1 1 68 68 VAL CA C 68 64.830 64.830 66.085 -1.256 18118 7237 1 15 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.377 -2.543 18118 7238 1 15 . 1 1 68 68 VAL H H 68 7.165 7.165 7.175 -0.010 18118 7239 1 15 . 1 1 69 69 GLN N N 69 115.899 115.899 118.119 -2.220 18118 7240 1 15 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.974 -0.240 18118 7241 1 15 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.109 -1.705 18118 7242 1 15 . 1 1 69 69 GLN CB C 69 25.212 25.212 27.863 -2.651 18118 7243 1 15 . 1 1 69 69 GLN H H 69 7.718 7.718 8.375 -0.657 18118 7244 1 15 . 1 1 70 70 LYS N N 70 118.403 118.403 116.885 1.518 18118 7245 1 15 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.190 -0.262 18118 7246 1 15 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.197 -2.260 18118 7247 1 15 . 1 1 70 70 LYS CB C 70 29.946 29.946 32.137 -2.191 18118 7248 1 15 . 1 1 70 70 LYS H H 70 7.767 7.767 8.282 -0.515 18118 7249 1 15 . 1 1 71 71 ALA N N 71 124.650 124.650 121.010 3.640 18118 7250 1 15 . 1 1 71 71 ALA HA H 71 4.027 4.027 3.630 0.397 18118 7251 1 15 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.115 -1.372 18118 7252 1 15 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.524 -2.410 18118 7253 1 15 . 1 1 71 71 ALA H H 71 8.160 8.160 7.400 0.760 18118 7254 1 15 . 1 1 72 72 LEU N N 72 116.557 116.557 119.118 -2.561 18118 7255 1 15 . 1 1 72 72 LEU HA H 72 3.794 3.794 3.894 -0.100 18118 7256 1 15 . 1 1 72 72 LEU CA C 72 54.664 54.664 57.036 -2.372 18118 7257 1 15 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.102 -2.269 18118 7258 1 15 . 1 1 72 72 LEU H H 72 8.055 8.055 7.808 0.247 18118 7259 1 15 . 1 1 73 73 GLU N N 73 117.807 117.807 120.365 -2.558 18118 7260 1 15 . 1 1 73 73 GLU HA H 73 4.090 4.090 3.978 0.112 18118 7261 1 15 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.327 -3.865 18118 7262 1 15 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.339 -2.533 18118 7263 1 15 . 1 1 73 73 GLU H H 73 7.369 7.369 7.975 -0.606 18118 7264 1 15 . 1 1 74 74 LYS N N 74 116.715 116.715 115.193 1.522 18118 7265 1 15 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.590 -0.398 18118 7266 1 15 . 1 1 74 74 LYS CA C 74 51.741 51.741 54.913 -3.172 18118 7267 1 15 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.472 -3.008 18118 7268 1 15 . 1 1 74 74 LYS H H 74 7.805 7.805 7.774 0.031 18118 7269 1 15 . 1 1 75 75 HIS N N 75 117.177 117.177 118.837 -1.660 18118 7270 1 15 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.437 -0.109 18118 7271 1 15 . 1 1 75 75 HIS CA C 75 55.811 55.811 58.291 -2.479 18118 7272 1 15 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.417 0.166 18118 7273 1 15 . 1 1 75 75 HIS H H 75 7.184 7.184 8.248 -1.064 18118 7274 1 15 . 1 1 76 76 ARG N N 76 121.753 121.753 117.039 4.714 18118 7275 1 15 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.441 -0.135 18118 7276 1 15 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.026 0.693 18118 7277 1 15 . 1 1 76 76 ARG CB C 76 33.288 33.288 31.297 1.990 18118 7278 1 15 . 1 1 76 76 ARG H H 76 9.042 9.042 8.031 1.011 18118 7279 1 15 . 1 1 77 77 MET N N 77 117.206 117.206 118.661 -1.455 18118 7280 1 15 . 1 1 77 77 MET HA H 77 4.598 4.598 4.676 -0.078 18118 7281 1 15 . 1 1 77 77 MET CA C 77 52.590 52.590 55.665 -3.075 18118 7282 1 15 . 1 1 77 77 MET CB C 77 31.234 31.234 34.155 -2.921 18118 7283 1 15 . 1 1 77 77 MET H H 77 7.835 7.835 7.665 0.170 18118 7284 1 15 . 1 1 78 78 TYR N N 78 117.960 117.960 118.245 -0.285 18118 7285 1 15 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.856 -0.254 18118 7286 1 15 . 1 1 78 78 TYR CA C 78 56.028 56.028 56.986 -0.958 18118 7287 1 15 . 1 1 78 78 TYR CB C 78 37.334 37.334 39.050 -1.716 18118 7288 1 15 . 1 1 78 78 TYR H H 78 8.359 8.359 8.363 -0.004 18118 7289 1 15 . 1 1 79 79 MET N N 79 124.673 124.673 125.221 -0.548 18118 7290 1 15 . 1 1 79 79 MET HA H 79 4.325 4.325 4.403 -0.078 18118 7291 1 15 . 1 1 79 79 MET CA C 79 52.338 52.338 55.944 -3.606 18118 7292 1 15 . 1 1 79 79 MET CB C 79 31.907 31.907 31.501 0.406 18118 7293 1 15 . 1 1 79 79 MET H H 79 8.642 8.642 8.579 0.063 18118 7294 1 15 . 1 1 80 80 GLY N N 80 115.191 115.191 116.405 -1.214 18118 7295 1 15 . 1 1 80 80 GLY CA C 80 44.426 44.426 47.232 -2.806 18118 7296 1 15 . 1 1 80 80 GLY H H 80 8.709 8.709 8.763 -0.054 18118 7297 1 15 . 1 1 81 81 GLN N N 81 121.981 121.981 122.636 -0.655 18118 7298 1 15 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.532 -0.385 18118 7299 1 15 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.907 -2.350 18118 7300 1 15 . 1 1 81 81 GLN CB C 81 26.736 26.736 29.494 -2.757 18118 7301 1 15 . 1 1 81 81 GLN H H 81 8.598 8.598 8.178 0.420 18118 7302 1 15 . 1 1 82 82 ARG N N 82 118.652 118.652 122.628 -3.976 18118 7303 1 15 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.727 -0.227 18118 7304 1 15 . 1 1 82 82 ARG CA C 82 51.593 51.593 54.533 -2.940 18118 7305 1 15 . 1 1 82 82 ARG CB C 82 29.507 29.507 32.673 -3.166 18118 7306 1 15 . 1 1 82 82 ARG H H 82 7.660 7.660 8.207 -0.547 18118 7307 1 15 . 1 1 84 84 VAL N N 84 125.216 125.216 121.593 3.623 18118 7308 1 15 . 1 1 84 84 VAL HA H 84 4.318 4.318 3.970 0.348 18118 7309 1 15 . 1 1 84 84 VAL CA C 84 58.647 58.647 60.848 -2.201 18118 7310 1 15 . 1 1 84 84 VAL CB C 84 31.015 31.015 36.056 -5.040 18118 7311 1 15 . 1 1 84 84 VAL H H 84 8.222 8.222 7.806 0.416 18118 7312 1 15 . 1 1 86 86 VAL N N 86 120.000 120.000 120.625 -0.625 18118 7313 1 15 . 1 1 86 86 VAL HA H 86 4.807 4.807 4.724 0.083 18118 7314 1 15 . 1 1 86 86 VAL CA C 86 58.928 58.928 61.022 -2.094 18118 7315 1 15 . 1 1 86 86 VAL CB C 86 33.201 33.201 33.493 -0.292 18118 7316 1 15 . 1 1 87 87 TYR N N 87 120.377 120.377 125.708 -5.331 18118 7317 1 15 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.828 -0.204 18118 7318 1 15 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.920 -3.476 18118 7319 1 15 . 1 1 87 87 TYR CB C 87 40.105 40.105 42.303 -2.198 18118 7320 1 15 . 1 1 87 87 TYR H H 87 8.731 8.731 8.941 -0.210 18118 7321 1 15 . 1 1 88 88 GLU N N 88 122.304 122.304 123.250 -0.946 18118 7322 1 15 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.330 0.020 18118 7323 1 15 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.457 -2.817 18118 7324 1 15 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.843 -2.413 18118 7325 1 15 . 1 1 88 88 GLU H H 88 8.873 8.873 8.750 0.123 18118 7326 1 15 . 1 1 89 89 ILE N N 89 125.082 125.082 122.001 3.081 18118 7327 1 15 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.245 0.013 18118 7328 1 15 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.333 -3.502 18118 7329 1 15 . 1 1 89 89 ILE CB C 89 34.985 34.985 38.717 -3.732 18118 7330 1 15 . 1 1 89 89 ILE H H 89 7.983 7.983 7.898 0.085 18118 7331 1 15 . 1 1 90 90 ASN N N 90 126.142 126.142 122.751 3.391 18118 7332 1 15 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.792 -0.201 18118 7333 1 15 . 1 1 90 90 ASN CA C 90 50.615 50.615 52.493 -1.878 18118 7334 1 15 . 1 1 90 90 ASN CB C 90 36.638 36.638 40.170 -3.532 18118 7335 1 15 . 1 1 90 90 ASN H H 90 8.890 8.890 8.465 0.425 18118 7336 1 15 . 1 1 91 91 ASN N N 91 121.333 121.333 122.315 -0.982 18118 7337 1 15 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.315 -0.019 18118 7338 1 15 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.331 -2.381 18118 7339 1 15 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.526 -2.221 18118 7340 1 15 . 1 1 91 91 ASN H H 91 8.867 8.867 9.053 -0.186 18118 7341 1 15 . 1 1 92 92 GLU N N 92 117.848 117.848 117.356 0.492 18118 7342 1 15 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.058 0.034 18118 7343 1 15 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.779 -3.228 18118 7344 1 15 . 1 1 92 92 GLU CB C 92 26.767 26.767 29.173 -2.406 18118 7345 1 15 . 1 1 92 92 GLU H H 92 8.869 8.869 8.610 0.259 18118 7346 1 15 . 1 1 93 93 ASP N N 93 118.819 118.819 118.348 0.471 18118 7347 1 15 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.879 -0.227 18118 7348 1 15 . 1 1 93 93 ASP CA C 93 52.137 52.137 53.919 -1.782 18118 7349 1 15 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.143 -1.621 18118 7350 1 15 . 1 1 93 93 ASP H H 93 7.965 7.965 7.986 -0.021 18118 7351 1 15 . 1 1 94 94 VAL N N 94 120.480 120.480 119.349 1.131 18118 7352 1 15 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.975 -0.701 18118 7353 1 15 . 1 1 94 94 VAL CA C 94 64.179 64.179 64.745 -0.566 18118 7354 1 15 . 1 1 94 94 VAL CB C 94 29.477 29.477 33.084 -3.607 18118 7355 1 15 . 1 1 94 94 VAL H H 94 7.406 7.406 7.954 -0.548 18118 7356 1 15 . 1 1 95 95 ASP N N 95 119.806 119.806 120.745 -0.939 18118 7357 1 15 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.284 -0.129 18118 7358 1 15 . 1 1 95 95 ASP CA C 95 55.216 55.216 58.257 -3.041 18118 7359 1 15 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.762 -2.135 18118 7360 1 15 . 1 1 95 95 ASP H H 95 8.342 8.342 7.786 0.556 18118 7361 1 15 . 1 1 96 96 ALA N N 96 119.946 119.946 121.824 -1.878 18118 7362 1 15 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.262 -0.336 18118 7363 1 15 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.478 -2.338 18118 7364 1 15 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.514 -2.838 18118 7365 1 15 . 1 1 96 96 ALA H H 96 8.162 8.162 8.301 -0.139 18118 7366 1 15 . 1 1 97 97 LEU N N 97 119.391 119.391 120.142 -0.751 18118 7367 1 15 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.988 -0.003 18118 7368 1 15 . 1 1 97 97 LEU CA C 97 54.831 54.831 58.013 -3.182 18118 7369 1 15 . 1 1 97 97 LEU CB C 97 39.438 39.438 41.300 -1.862 18118 7370 1 15 . 1 1 97 97 LEU H H 97 7.679 7.679 7.528 0.151 18118 7371 1 15 . 1 1 98 98 MET N N 98 118.055 118.055 116.122 1.933 18118 7372 1 15 . 1 1 98 98 MET HA H 98 4.128 4.128 4.034 0.094 18118 7373 1 15 . 1 1 98 98 MET CA C 98 54.606 54.606 58.741 -4.135 18118 7374 1 15 . 1 1 98 98 MET CB C 98 27.902 27.902 31.781 -3.879 18118 7375 1 15 . 1 1 98 98 MET H H 98 8.504 8.504 7.728 0.776 18118 7376 1 15 . 1 1 99 99 LYS N N 99 119.351 119.351 117.133 2.218 18118 7377 1 15 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.302 -0.331 18118 7378 1 15 . 1 1 99 99 LYS CA C 99 56.301 56.301 57.557 -1.256 18118 7379 1 15 . 1 1 99 99 LYS CB C 99 29.692 29.692 32.032 -2.340 18118 7380 1 15 . 1 1 99 99 LYS H H 99 7.986 7.986 7.394 0.592 18118 7381 1 15 . 1 1 100 100 SER N N 100 114.964 114.964 115.398 -0.434 18118 7382 1 15 . 1 1 100 100 SER HA H 100 4.268 4.268 4.229 0.039 18118 7383 1 15 . 1 1 100 100 SER CA C 100 57.764 57.764 61.316 -3.553 18118 7384 1 15 . 1 1 100 100 SER CB C 100 60.753 60.753 63.390 -2.637 18118 7385 1 15 . 1 1 100 100 SER H H 100 7.711 7.711 8.160 -0.449 18118 7386 1 15 . 1 1 101 101 LEU N N 101 120.679 120.679 120.275 0.404 18118 7387 1 15 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.098 0.062 18118 7388 1 15 . 1 1 101 101 LEU CA C 101 52.893 52.893 56.404 -3.511 18118 7389 1 15 . 1 1 101 101 LEU CB C 101 39.541 39.541 41.320 -1.779 18118 7390 1 15 . 1 1 101 101 LEU H H 101 7.405 7.405 7.610 -0.205 18118 7391 1 15 . 1 1 102 102 GLN N N 102 117.646 117.646 117.790 -0.144 18118 7392 1 15 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.239 -0.044 18118 7393 1 15 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.798 -2.438 18118 7394 1 15 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.041 -0.561 18118 7395 1 15 . 1 1 102 102 GLN H H 102 7.588 7.588 8.162 -0.574 18118 7396 1 15 . 1 1 103 103 VAL N N 103 120.269 120.269 119.684 0.585 18118 7397 1 15 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.273 -0.258 18118 7398 1 15 . 1 1 103 103 VAL CA C 103 59.755 59.755 61.699 -1.944 18118 7399 1 15 . 1 1 103 103 VAL CB C 103 30.579 30.579 31.572 -0.993 18118 7400 1 15 . 1 1 103 103 VAL H H 103 7.839 7.839 7.752 0.087 18118 7401 1 15 . 1 1 104 104 LYS N N 104 125.201 125.201 125.788 -0.587 18118 7402 1 15 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.500 -0.157 18118 7403 1 15 . 1 1 104 104 LYS CA C 104 53.348 53.348 56.107 -2.759 18118 7404 1 15 . 1 1 104 104 LYS CB C 104 30.634 30.634 33.403 -2.769 18118 7405 1 15 . 1 1 104 104 LYS H H 104 8.364 8.364 8.269 0.095 18118 7406 1 15 . 1 1 105 105 SER N N 105 117.664 117.664 117.514 0.150 18118 7407 1 15 . 1 1 105 105 SER HA H 105 4.401 4.401 4.468 -0.067 18118 7408 1 15 . 1 1 105 105 SER CA C 105 55.611 55.611 58.924 -3.313 18118 7409 1 15 . 1 1 105 105 SER CB C 105 61.286 61.286 63.569 -2.283 18118 7410 1 15 . 1 1 105 105 SER H H 105 8.354 8.354 8.446 -0.092 18118 7411 1 16 . 1 1 2 2 SER N N 2 118.867 118.867 115.572 3.295 18118 7412 1 16 . 1 1 2 2 SER HA H 2 4.707 4.707 5.107 -0.400 18118 7413 1 16 . 1 1 2 2 SER CA C 2 55.678 55.678 57.472 -1.794 18118 7414 1 16 . 1 1 2 2 SER CB C 2 61.009 61.009 66.168 -5.159 18118 7415 1 16 . 1 1 2 2 SER H H 2 8.195 8.195 8.877 -0.682 18118 7416 1 16 . 1 1 3 3 LYS N N 3 123.188 123.188 120.277 2.911 18118 7417 1 16 . 1 1 3 3 LYS CA C 3 53.708 53.708 55.889 -2.181 18118 7418 1 16 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.326 -1.952 18118 7419 1 16 . 1 1 3 3 LYS H H 3 8.427 8.427 8.480 -0.053 18118 7420 1 16 . 1 1 4 4 LEU N N 4 123.342 123.342 123.459 -0.117 18118 7421 1 16 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.622 -0.418 18118 7422 1 16 . 1 1 4 4 LEU CA C 4 52.990 52.990 55.158 -2.168 18118 7423 1 16 . 1 1 4 4 LEU CB C 4 39.667 39.667 42.923 -3.256 18118 7424 1 16 . 1 1 4 4 LEU H H 4 8.311 8.311 8.736 -0.425 18118 7425 1 16 . 1 1 5 5 GLU N N 5 120.431 120.431 119.062 1.369 18118 7426 1 16 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.455 -0.298 18118 7427 1 16 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.463 -2.233 18118 7428 1 16 . 1 1 5 5 GLU CB C 5 27.847 27.847 30.206 -2.359 18118 7429 1 16 . 1 1 5 5 GLU H H 5 8.321 8.321 8.559 -0.238 18118 7430 1 16 . 1 1 6 6 GLU N N 6 120.027 120.027 119.923 0.104 18118 7431 1 16 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.513 -0.322 18118 7432 1 16 . 1 1 6 6 GLU CA C 6 53.842 53.842 56.120 -2.277 18118 7433 1 16 . 1 1 6 6 GLU CB C 6 27.723 27.723 32.664 -4.941 18118 7434 1 16 . 1 1 6 6 GLU H H 6 8.177 8.177 8.017 0.160 18118 7435 1 16 . 1 1 7 7 GLU N N 7 121.663 121.663 124.500 -2.837 18118 7436 1 16 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.591 -0.400 18118 7437 1 16 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.764 -3.085 18118 7438 1 16 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.947 -2.399 18118 7439 1 16 . 1 1 7 7 GLU H H 7 8.228 8.228 8.830 -0.602 18118 7440 1 16 . 1 1 8 8 VAL N N 8 120.733 120.733 118.476 2.257 18118 7441 1 16 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.452 -0.366 18118 7442 1 16 . 1 1 8 8 VAL CA C 8 59.139 59.139 60.249 -1.110 18118 7443 1 16 . 1 1 8 8 VAL CB C 8 30.700 30.700 34.009 -3.309 18118 7444 1 16 . 1 1 8 8 VAL H H 8 8.102 8.102 7.608 0.494 18118 7445 1 16 . 1 1 9 9 ASP N N 9 124.190 124.190 120.456 3.734 18118 7446 1 16 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.603 -0.046 18118 7447 1 16 . 1 1 9 9 ASP CA C 9 51.180 51.180 53.986 -2.806 18118 7448 1 16 . 1 1 9 9 ASP CB C 9 38.781 38.781 42.391 -3.610 18118 7449 1 16 . 1 1 9 9 ASP H H 9 8.313 8.313 8.451 -0.138 18118 7450 1 16 . 1 1 10 10 ASP N N 10 120.966 120.966 120.807 0.159 18118 7451 1 16 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.641 -0.262 18118 7452 1 16 . 1 1 10 10 ASP CA C 10 51.555 51.555 54.291 -2.736 18118 7453 1 16 . 1 1 10 10 ASP CB C 10 39.138 39.138 39.748 -0.610 18118 7454 1 16 . 1 1 10 10 ASP H H 10 8.106 8.106 8.474 -0.368 18118 7455 1 16 . 1 1 11 11 VAL N N 11 119.321 119.321 120.141 -0.820 18118 7456 1 16 . 1 1 11 11 VAL HA H 11 3.919 3.919 4.088 -0.169 18118 7457 1 16 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.045 -2.324 18118 7458 1 16 . 1 1 11 11 VAL CB C 11 31.300 31.300 33.065 -1.765 18118 7459 1 16 . 1 1 11 11 VAL H H 11 7.528 7.528 7.789 -0.261 18118 7460 1 16 . 1 1 12 12 PHE N N 12 125.723 125.723 127.236 -1.513 18118 7461 1 16 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.657 -0.071 18118 7462 1 16 . 1 1 12 12 PHE CA C 12 53.764 53.764 54.501 -0.737 18118 7463 1 16 . 1 1 12 12 PHE CB C 12 37.698 37.698 37.040 0.658 18118 7464 1 16 . 1 1 12 12 PHE H H 12 8.573 8.573 8.582 -0.009 18118 7465 1 16 . 1 1 13 13 LEU N N 13 123.923 123.923 119.268 4.655 18118 7466 1 16 . 1 1 13 13 LEU HA H 13 5.232 5.232 4.827 0.405 18118 7467 1 16 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.472 -2.111 18118 7468 1 16 . 1 1 13 13 LEU CB C 13 44.651 44.651 46.747 -2.096 18118 7469 1 16 . 1 1 13 13 LEU H H 13 8.794 8.794 7.258 1.536 18118 7470 1 16 . 1 1 14 14 ILE N N 14 114.563 114.563 114.498 0.065 18118 7471 1 16 . 1 1 14 14 ILE HA H 14 4.891 4.891 4.872 0.019 18118 7472 1 16 . 1 1 14 14 ILE CA C 14 55.381 55.381 59.237 -3.856 18118 7473 1 16 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.868 -3.550 18118 7474 1 16 . 1 1 14 14 ILE H H 14 8.316 8.316 8.104 0.212 18118 7475 1 16 . 1 1 15 15 ARG N N 15 122.555 122.555 120.595 1.960 18118 7476 1 16 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.388 -0.054 18118 7477 1 16 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.105 -2.812 18118 7478 1 16 . 1 1 15 15 ARG CB C 15 31.850 31.850 35.130 -3.280 18118 7479 1 16 . 1 1 15 15 ARG H H 15 9.231 9.231 8.892 0.339 18118 7480 1 16 . 1 1 16 16 ALA N N 16 127.755 127.755 128.020 -0.265 18118 7481 1 16 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.417 0.279 18118 7482 1 16 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.503 -3.728 18118 7483 1 16 . 1 1 16 16 ALA CB C 16 18.337 18.337 22.101 -3.764 18118 7484 1 16 . 1 1 16 16 ALA H H 16 9.005 9.005 8.889 0.116 18118 7485 1 16 . 1 1 17 17 GLN N N 17 121.076 121.076 120.244 0.832 18118 7486 1 16 . 1 1 17 17 GLN HA H 17 5.135 5.135 5.070 0.065 18118 7487 1 16 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.052 -2.220 18118 7488 1 16 . 1 1 17 17 GLN CB C 17 30.738 30.738 33.397 -2.659 18118 7489 1 16 . 1 1 17 17 GLN H H 17 9.557 9.557 9.091 0.466 18118 7490 1 16 . 1 1 18 18 GLY N N 18 110.950 110.950 107.371 3.579 18118 7491 1 16 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.740 -2.918 18118 7492 1 16 . 1 1 18 18 GLY H H 18 8.294 8.294 8.485 -0.191 18118 7493 1 16 . 1 1 19 19 LEU N N 19 118.809 118.809 120.999 -2.190 18118 7494 1 16 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.312 -0.280 18118 7495 1 16 . 1 1 19 19 LEU CA C 19 50.705 50.705 52.258 -1.553 18118 7496 1 16 . 1 1 19 19 LEU CB C 19 37.568 37.568 41.642 -4.074 18118 7497 1 16 . 1 1 19 19 LEU H H 19 8.292 8.292 7.746 0.546 18118 7498 1 16 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.152 0.140 18118 7499 1 16 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.121 -2.020 18118 7500 1 16 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.248 -3.049 18118 7501 1 16 . 1 1 21 21 TRP N N 21 124.383 124.383 117.595 6.788 18118 7502 1 16 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.469 0.221 18118 7503 1 16 . 1 1 21 21 TRP CA C 21 56.237 56.237 57.860 -1.623 18118 7504 1 16 . 1 1 21 21 TRP CB C 21 25.965 25.965 28.547 -2.582 18118 7505 1 16 . 1 1 21 21 TRP H H 21 8.527 8.527 7.561 0.966 18118 7506 1 16 . 1 1 22 22 SER N N 22 109.532 109.532 117.904 -8.372 18118 7507 1 16 . 1 1 22 22 SER HA H 22 4.099 4.099 4.953 -0.854 18118 7508 1 16 . 1 1 22 22 SER CA C 22 54.162 54.162 57.083 -2.921 18118 7509 1 16 . 1 1 22 22 SER CB C 22 60.334 60.334 63.041 -2.707 18118 7510 1 16 . 1 1 22 22 SER H H 22 7.436 7.436 7.767 -0.331 18118 7511 1 16 . 1 1 23 23 CYS N N 23 119.744 119.744 122.167 -2.423 18118 7512 1 16 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.107 0.359 18118 7513 1 16 . 1 1 23 23 CYS CA C 23 55.975 55.975 59.491 -3.516 18118 7514 1 16 . 1 1 23 23 CYS CB C 23 25.489 25.489 27.068 -1.579 18118 7515 1 16 . 1 1 23 23 CYS H H 23 7.221 7.221 8.171 -0.950 18118 7516 1 16 . 1 1 24 24 THR N N 24 115.371 115.371 120.684 -5.313 18118 7517 1 16 . 1 1 24 24 THR HA H 24 4.697 4.697 4.260 0.437 18118 7518 1 16 . 1 1 24 24 THR CA C 24 57.172 57.172 61.084 -3.912 18118 7519 1 16 . 1 1 24 24 THR CB C 24 56.222 56.222 70.349 -14.127 18118 7520 1 16 . 1 1 24 24 THR H H 24 9.082 9.082 7.723 1.359 18118 7521 1 16 . 1 1 25 25 MET N N 25 118.539 118.539 121.801 -3.262 18118 7522 1 16 . 1 1 25 25 MET HA H 25 4.161 4.161 4.166 -0.005 18118 7523 1 16 . 1 1 25 25 MET CA C 25 57.241 57.241 58.842 -1.601 18118 7524 1 16 . 1 1 25 25 MET CB C 25 29.452 29.452 32.554 -3.102 18118 7525 1 16 . 1 1 25 25 MET H H 25 8.794 8.794 8.624 0.170 18118 7526 1 16 . 1 1 26 26 GLU N N 26 118.967 118.967 120.397 -1.430 18118 7527 1 16 . 1 1 26 26 GLU HA H 26 3.802 3.802 4.051 -0.249 18118 7528 1 16 . 1 1 26 26 GLU CA C 26 57.247 57.247 59.955 -2.708 18118 7529 1 16 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.777 -2.114 18118 7530 1 16 . 1 1 26 26 GLU H H 26 8.462 8.462 8.663 -0.201 18118 7531 1 16 . 1 1 27 27 ASP N N 27 118.711 118.711 116.360 2.351 18118 7532 1 16 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.480 -0.181 18118 7533 1 16 . 1 1 27 27 ASP CA C 27 55.071 55.071 55.744 -0.673 18118 7534 1 16 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.265 -1.609 18118 7535 1 16 . 1 1 27 27 ASP H H 27 7.812 7.812 7.725 0.087 18118 7536 1 16 . 1 1 28 28 VAL N N 28 120.825 120.825 115.352 5.473 18118 7537 1 16 . 1 1 28 28 VAL HA H 28 3.444 3.444 4.217 -0.773 18118 7538 1 16 . 1 1 28 28 VAL CA C 28 64.841 64.841 62.086 2.755 18118 7539 1 16 . 1 1 28 28 VAL CB C 28 29.052 29.052 33.462 -4.410 18118 7540 1 16 . 1 1 28 28 VAL H H 28 7.528 7.528 7.056 0.472 18118 7541 1 16 . 1 1 29 29 LEU N N 29 120.586 120.586 122.566 -1.980 18118 7542 1 16 . 1 1 29 29 LEU HA H 29 3.778 3.778 3.910 -0.132 18118 7543 1 16 . 1 1 29 29 LEU CA C 29 55.982 55.982 59.054 -3.072 18118 7544 1 16 . 1 1 29 29 LEU CB C 29 38.954 38.954 42.201 -3.247 18118 7545 1 16 . 1 1 29 29 LEU H H 29 8.399 8.399 8.473 -0.074 18118 7546 1 16 . 1 1 30 30 ASN N N 30 114.059 114.059 115.957 -1.898 18118 7547 1 16 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.439 -0.041 18118 7548 1 16 . 1 1 30 30 ASN CA C 30 52.480 52.480 55.742 -3.262 18118 7549 1 16 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.119 -1.987 18118 7550 1 16 . 1 1 30 30 ASN H H 30 8.156 8.156 7.643 0.513 18118 7551 1 16 . 1 1 31 31 PHE N N 31 123.816 123.816 120.911 2.905 18118 7552 1 16 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.091 0.035 18118 7553 1 16 . 1 1 31 31 PHE CA C 31 58.819 58.819 59.992 -1.173 18118 7554 1 16 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.007 -1.831 18118 7555 1 16 . 1 1 31 31 PHE H H 31 8.033 8.033 8.018 0.015 18118 7556 1 16 . 1 1 32 32 PHE N N 32 115.681 115.681 112.961 2.720 18118 7557 1 16 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.707 -0.054 18118 7558 1 16 . 1 1 32 32 PHE CA C 32 54.039 54.039 55.299 -1.260 18118 7559 1 16 . 1 1 32 32 PHE CB C 32 35.047 35.047 38.009 -2.962 18118 7560 1 16 . 1 1 32 32 PHE H H 32 7.622 7.622 7.969 -0.347 18118 7561 1 16 . 1 1 33 33 SER N N 33 113.797 113.797 117.052 -3.255 18118 7562 1 16 . 1 1 33 33 SER HA H 33 4.111 4.111 4.251 -0.140 18118 7563 1 16 . 1 1 33 33 SER CA C 33 59.041 59.041 60.980 -1.939 18118 7564 1 16 . 1 1 33 33 SER CB C 33 60.339 60.339 63.532 -3.193 18118 7565 1 16 . 1 1 33 33 SER H H 33 6.834 6.834 7.583 -0.749 18118 7566 1 16 . 1 1 34 34 ASP N N 34 119.155 119.155 119.652 -0.497 18118 7567 1 16 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.730 -0.149 18118 7568 1 16 . 1 1 34 34 ASP CA C 34 51.606 51.606 54.449 -2.843 18118 7569 1 16 . 1 1 34 34 ASP CB C 34 37.727 37.727 40.822 -3.095 18118 7570 1 16 . 1 1 34 34 ASP H H 34 8.717 8.717 8.608 0.109 18118 7571 1 16 . 1 1 35 35 CYS N N 35 117.269 117.269 116.374 0.895 18118 7572 1 16 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.622 -0.114 18118 7573 1 16 . 1 1 35 35 CYS CA C 35 54.961 54.961 57.350 -2.389 18118 7574 1 16 . 1 1 35 35 CYS CB C 35 27.986 27.986 30.384 -2.397 18118 7575 1 16 . 1 1 35 35 CYS H H 35 8.009 8.009 7.715 0.294 18118 7576 1 16 . 1 1 36 36 ARG N N 36 123.980 123.980 122.531 1.449 18118 7577 1 16 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.583 -0.294 18118 7578 1 16 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.762 -2.034 18118 7579 1 16 . 1 1 36 36 ARG CB C 36 26.279 26.279 29.593 -3.314 18118 7580 1 16 . 1 1 36 36 ARG H H 36 8.666 8.666 8.674 -0.008 18118 7581 1 16 . 1 1 37 37 ILE N N 37 128.014 128.014 124.840 3.174 18118 7582 1 16 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.008 0.203 18118 7583 1 16 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.365 -2.786 18118 7584 1 16 . 1 1 37 37 ILE CB C 37 36.026 36.026 38.981 -2.955 18118 7585 1 16 . 1 1 37 37 ILE H H 37 8.084 8.084 8.757 -0.673 18118 7586 1 16 . 1 1 38 38 ARG N N 38 133.264 133.264 128.287 4.977 18118 7587 1 16 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.273 -0.428 18118 7588 1 16 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.556 -2.788 18118 7589 1 16 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.793 -2.964 18118 7590 1 16 . 1 1 38 38 ARG H H 38 8.662 8.662 8.708 -0.046 18118 7591 1 16 . 1 1 39 39 ASN N N 39 117.723 117.723 121.811 -4.088 18118 7592 1 16 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.315 -0.133 18118 7593 1 16 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.373 -2.671 18118 7594 1 16 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.085 -2.239 18118 7595 1 16 . 1 1 39 39 ASN H H 39 8.992 8.992 9.184 -0.192 18118 7596 1 16 . 1 1 40 40 GLY N N 40 108.314 108.314 107.556 0.758 18118 7597 1 16 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.875 -2.592 18118 7598 1 16 . 1 1 40 40 GLY H H 40 7.949 7.949 8.531 -0.582 18118 7599 1 16 . 1 1 41 41 GLU N N 41 124.398 124.398 121.591 2.807 18118 7600 1 16 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.441 -0.629 18118 7601 1 16 . 1 1 41 41 GLU CA C 41 56.741 56.741 56.887 -0.146 18118 7602 1 16 . 1 1 41 41 GLU CB C 41 26.718 26.718 31.028 -4.310 18118 7603 1 16 . 1 1 41 41 GLU H H 41 9.235 9.235 8.188 1.047 18118 7604 1 16 . 1 1 42 42 ASN N N 42 113.155 113.155 119.705 -6.550 18118 7605 1 16 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.707 -0.200 18118 7606 1 16 . 1 1 42 42 ASN CA C 42 51.901 51.901 55.347 -3.446 18118 7607 1 16 . 1 1 42 42 ASN CB C 42 36.065 36.065 39.037 -2.972 18118 7608 1 16 . 1 1 42 42 ASN H H 42 7.523 7.523 8.447 -0.924 18118 7609 1 16 . 1 1 43 43 GLY N N 43 109.898 109.898 107.007 2.891 18118 7610 1 16 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.853 -2.292 18118 7611 1 16 . 1 1 43 43 GLY H H 43 8.131 8.131 7.643 0.488 18118 7612 1 16 . 1 1 44 44 ILE N N 44 119.116 119.116 122.238 -3.122 18118 7613 1 16 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.334 -0.557 18118 7614 1 16 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.893 -4.613 18118 7615 1 16 . 1 1 44 44 ILE CB C 44 36.145 36.145 38.422 -2.277 18118 7616 1 16 . 1 1 44 44 ILE H H 44 6.715 6.715 7.479 -0.764 18118 7617 1 16 . 1 1 45 45 HIS N N 45 124.064 124.064 128.694 -4.630 18118 7618 1 16 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.895 -0.012 18118 7619 1 16 . 1 1 45 45 HIS CA C 45 49.681 49.681 55.387 -5.706 18118 7620 1 16 . 1 1 45 45 HIS CB C 45 25.934 25.934 33.024 -7.090 18118 7621 1 16 . 1 1 45 45 HIS H H 45 8.493 8.493 9.572 -1.079 18118 7622 1 16 . 1 1 46 46 PHE N N 46 123.886 123.886 123.383 0.503 18118 7623 1 16 . 1 1 46 46 PHE HA H 46 4.563 4.563 5.020 -0.457 18118 7624 1 16 . 1 1 46 46 PHE CA C 46 57.122 57.122 55.420 1.702 18118 7625 1 16 . 1 1 46 46 PHE CB C 46 36.299 36.299 39.546 -3.247 18118 7626 1 16 . 1 1 46 46 PHE H H 46 9.014 9.014 7.851 1.163 18118 7627 1 16 . 1 1 47 47 LEU N N 47 124.343 124.343 126.075 -1.732 18118 7628 1 16 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.278 0.226 18118 7629 1 16 . 1 1 47 47 LEU CA C 47 51.885 51.885 54.422 -2.538 18118 7630 1 16 . 1 1 47 47 LEU CB C 47 38.896 38.896 40.939 -2.043 18118 7631 1 16 . 1 1 47 47 LEU H H 47 8.066 8.066 8.718 -0.652 18118 7632 1 16 . 1 1 48 48 LEU N N 48 122.809 122.809 123.200 -0.391 18118 7633 1 16 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.594 0.231 18118 7634 1 16 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.090 -2.160 18118 7635 1 16 . 1 1 48 48 LEU CB C 48 41.655 41.655 45.415 -3.760 18118 7636 1 16 . 1 1 48 48 LEU H H 48 8.754 8.754 7.751 1.003 18118 7637 1 16 . 1 1 49 49 ASN N N 49 119.420 119.420 118.841 0.579 18118 7638 1 16 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.909 -0.118 18118 7639 1 16 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.831 -4.236 18118 7640 1 16 . 1 1 49 49 ASN CB C 49 36.735 36.735 40.099 -3.364 18118 7641 1 16 . 1 1 49 49 ASN H H 49 8.757 8.757 8.749 0.008 18118 7642 1 16 . 1 1 50 50 ARG N N 50 119.367 119.367 118.315 1.052 18118 7643 1 16 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.173 -0.147 18118 7644 1 16 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.413 -2.495 18118 7645 1 16 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.520 -2.326 18118 7646 1 16 . 1 1 50 50 ARG H H 50 8.618 8.618 8.766 -0.148 18118 7647 1 16 . 1 1 51 51 ASP N N 51 116.650 116.650 117.040 -0.390 18118 7648 1 16 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.729 -0.144 18118 7649 1 16 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.394 -2.114 18118 7650 1 16 . 1 1 51 51 ASP CB C 51 38.544 38.544 40.955 -2.411 18118 7651 1 16 . 1 1 51 51 ASP H H 51 7.577 7.577 7.883 -0.306 18118 7652 1 16 . 1 1 52 52 GLY N N 52 107.719 107.719 107.892 -0.173 18118 7653 1 16 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.922 -2.581 18118 7654 1 16 . 1 1 52 52 GLY H H 52 8.171 8.171 7.922 0.249 18118 7655 1 16 . 1 1 53 53 LYS N N 53 119.174 119.174 117.388 1.786 18118 7656 1 16 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.848 -0.429 18118 7657 1 16 . 1 1 53 53 LYS CA C 53 51.788 51.788 54.373 -2.586 18118 7658 1 16 . 1 1 53 53 LYS CB C 53 30.976 30.976 34.618 -3.642 18118 7659 1 16 . 1 1 53 53 LYS H H 53 7.750 7.750 7.589 0.161 18118 7660 1 16 . 1 1 54 54 ARG N N 54 121.126 121.126 121.531 -0.405 18118 7661 1 16 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.329 -0.160 18118 7662 1 16 . 1 1 54 54 ARG CA C 54 54.949 54.949 57.471 -2.522 18118 7663 1 16 . 1 1 54 54 ARG CB C 54 28.054 28.054 30.736 -2.682 18118 7664 1 16 . 1 1 54 54 ARG H H 54 8.570 8.570 8.823 -0.253 18118 7665 1 16 . 1 1 55 55 ARG N N 55 121.856 121.856 118.673 3.183 18118 7666 1 16 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.620 -0.579 18118 7667 1 16 . 1 1 55 55 ARG CA C 55 53.172 53.172 55.070 -1.898 18118 7668 1 16 . 1 1 55 55 ARG CB C 55 29.692 29.692 32.612 -2.920 18118 7669 1 16 . 1 1 55 55 ARG H H 55 8.352 8.352 8.117 0.235 18118 7670 1 16 . 1 1 56 56 GLY N N 56 108.554 108.554 109.578 -1.024 18118 7671 1 16 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.928 -1.467 18118 7672 1 16 . 1 1 56 56 GLY H H 56 8.683 8.683 8.640 0.043 18118 7673 1 16 . 1 1 57 57 ASP N N 57 117.136 117.136 120.113 -2.977 18118 7674 1 16 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.337 0.420 18118 7675 1 16 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.425 -3.181 18118 7676 1 16 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.114 -2.849 18118 7677 1 16 . 1 1 57 57 ASP H H 57 8.018 8.018 7.917 0.101 18118 7678 1 16 . 1 1 58 58 ALA N N 58 122.425 122.425 119.891 2.534 18118 7679 1 16 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.840 0.265 18118 7680 1 16 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.535 -3.177 18118 7681 1 16 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.612 -3.168 18118 7682 1 16 . 1 1 58 58 ALA H H 58 9.137 9.137 8.408 0.729 18118 7683 1 16 . 1 1 59 59 LEU N N 59 121.454 121.454 122.610 -1.156 18118 7684 1 16 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.089 0.158 18118 7685 1 16 . 1 1 59 59 LEU CA C 59 50.358 50.358 54.572 -4.214 18118 7686 1 16 . 1 1 59 59 LEU CB C 59 42.166 42.166 43.699 -1.533 18118 7687 1 16 . 1 1 59 59 LEU H H 59 8.604 8.604 8.902 -0.298 18118 7688 1 16 . 1 1 60 60 ILE N N 60 123.974 123.974 121.614 2.360 18118 7689 1 16 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.773 0.065 18118 7690 1 16 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.035 -0.651 18118 7691 1 16 . 1 1 60 60 ILE CB C 60 38.147 38.147 40.169 -2.022 18118 7692 1 16 . 1 1 60 60 ILE H H 60 9.081 9.081 8.728 0.353 18118 7693 1 16 . 1 1 61 61 GLU N N 61 126.177 126.177 126.808 -0.631 18118 7694 1 16 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.447 0.098 18118 7695 1 16 . 1 1 61 61 GLU CA C 61 52.464 52.464 56.335 -3.871 18118 7696 1 16 . 1 1 61 61 GLU CB C 61 29.517 29.517 29.917 -0.400 18118 7697 1 16 . 1 1 61 61 GLU H H 61 8.832 8.832 8.656 0.175 18118 7698 1 16 . 1 1 62 62 MET N N 62 121.191 121.191 126.340 -5.149 18118 7699 1 16 . 1 1 62 62 MET HA H 62 5.131 5.131 4.366 0.765 18118 7700 1 16 . 1 1 62 62 MET CA C 62 49.938 49.938 55.557 -5.619 18118 7701 1 16 . 1 1 62 62 MET CB C 62 30.874 30.874 33.606 -2.732 18118 7702 1 16 . 1 1 62 62 MET H H 62 8.854 8.854 8.004 0.850 18118 7703 1 16 . 1 1 63 63 GLU N N 63 117.598 117.598 121.676 -4.078 18118 7704 1 16 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.360 -0.289 18118 7705 1 16 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.386 -1.231 18118 7706 1 16 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.860 -2.780 18118 7707 1 16 . 1 1 63 63 GLU H H 63 8.092 8.092 8.430 -0.338 18118 7708 1 16 . 1 1 64 64 SER N N 64 109.627 109.627 113.246 -3.619 18118 7709 1 16 . 1 1 64 64 SER HA H 64 4.113 4.113 4.000 0.113 18118 7710 1 16 . 1 1 64 64 SER CA C 64 54.607 54.607 56.193 -1.586 18118 7711 1 16 . 1 1 64 64 SER CB C 64 65.273 65.273 65.683 -0.410 18118 7712 1 16 . 1 1 64 64 SER H H 64 7.710 7.710 7.824 -0.114 18118 7713 1 16 . 1 1 65 65 GLU N N 65 121.394 121.394 122.917 -1.523 18118 7714 1 16 . 1 1 65 65 GLU HA H 65 3.485 3.485 3.951 -0.466 18118 7715 1 16 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.685 -4.585 18118 7716 1 16 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.758 -3.475 18118 7717 1 16 . 1 1 65 65 GLU H H 65 8.364 8.364 8.160 0.204 18118 7718 1 16 . 1 1 66 66 GLN N N 66 118.987 118.987 115.270 3.717 18118 7719 1 16 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.065 -0.163 18118 7720 1 16 . 1 1 66 66 GLN CA C 66 56.438 56.438 58.561 -2.123 18118 7721 1 16 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.394 -3.000 18118 7722 1 16 . 1 1 66 66 GLN H H 66 7.979 7.979 8.342 -0.363 18118 7723 1 16 . 1 1 67 67 ASP N N 67 118.539 118.539 118.220 0.319 18118 7724 1 16 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.655 -0.321 18118 7725 1 16 . 1 1 67 67 ASP CA C 67 55.727 55.727 55.744 -0.017 18118 7726 1 16 . 1 1 67 67 ASP CB C 67 41.607 41.607 41.711 -0.104 18118 7727 1 16 . 1 1 67 67 ASP H H 67 7.325 7.325 7.863 -0.538 18118 7728 1 16 . 1 1 68 68 VAL N N 68 119.502 119.502 121.392 -1.890 18118 7729 1 16 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.559 -0.384 18118 7730 1 16 . 1 1 68 68 VAL CA C 68 64.830 64.830 66.327 -1.497 18118 7731 1 16 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.583 -2.749 18118 7732 1 16 . 1 1 68 68 VAL H H 68 7.165 7.165 7.393 -0.228 18118 7733 1 16 . 1 1 69 69 GLN N N 69 115.899 115.899 117.850 -1.951 18118 7734 1 16 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.982 -0.248 18118 7735 1 16 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.701 -2.297 18118 7736 1 16 . 1 1 69 69 GLN CB C 69 25.212 25.212 27.878 -2.666 18118 7737 1 16 . 1 1 69 69 GLN H H 69 7.718 7.718 7.753 -0.035 18118 7738 1 16 . 1 1 70 70 LYS N N 70 118.403 118.403 118.166 0.237 18118 7739 1 16 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.269 -0.341 18118 7740 1 16 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.422 -2.485 18118 7741 1 16 . 1 1 70 70 LYS CB C 70 29.946 29.946 31.540 -1.594 18118 7742 1 16 . 1 1 70 70 LYS H H 70 7.767 7.767 8.279 -0.512 18118 7743 1 16 . 1 1 71 71 ALA N N 71 124.650 124.650 120.714 3.936 18118 7744 1 16 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.266 -0.239 18118 7745 1 16 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.428 -1.685 18118 7746 1 16 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.331 -2.216 18118 7747 1 16 . 1 1 71 71 ALA H H 71 8.160 8.160 7.387 0.773 18118 7748 1 16 . 1 1 72 72 LEU N N 72 116.557 116.557 118.811 -2.254 18118 7749 1 16 . 1 1 72 72 LEU HA H 72 3.794 3.794 3.998 -0.204 18118 7750 1 16 . 1 1 72 72 LEU CA C 72 54.664 54.664 56.547 -1.883 18118 7751 1 16 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.515 -2.682 18118 7752 1 16 . 1 1 72 72 LEU H H 72 8.055 8.055 7.394 0.661 18118 7753 1 16 . 1 1 73 73 GLU N N 73 117.807 117.807 119.310 -1.503 18118 7754 1 16 . 1 1 73 73 GLU HA H 73 4.090 4.090 4.073 0.017 18118 7755 1 16 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.176 -3.714 18118 7756 1 16 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.085 -2.279 18118 7757 1 16 . 1 1 73 73 GLU H H 73 7.369 7.369 8.157 -0.788 18118 7758 1 16 . 1 1 74 74 LYS N N 74 116.715 116.715 115.969 0.746 18118 7759 1 16 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.439 -0.247 18118 7760 1 16 . 1 1 74 74 LYS CA C 74 51.741 51.741 55.810 -4.069 18118 7761 1 16 . 1 1 74 74 LYS CB C 74 28.464 28.464 32.209 -3.745 18118 7762 1 16 . 1 1 74 74 LYS H H 74 7.805 7.805 7.367 0.438 18118 7763 1 16 . 1 1 75 75 HIS N N 75 117.177 117.177 117.502 -0.325 18118 7764 1 16 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.456 -0.128 18118 7765 1 16 . 1 1 75 75 HIS CA C 75 55.811 55.811 57.690 -1.879 18118 7766 1 16 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.009 0.574 18118 7767 1 16 . 1 1 75 75 HIS H H 75 7.184 7.184 8.157 -0.973 18118 7768 1 16 . 1 1 76 76 ARG N N 76 121.753 121.753 117.277 4.476 18118 7769 1 16 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.443 -0.137 18118 7770 1 16 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.477 0.242 18118 7771 1 16 . 1 1 76 76 ARG CB C 76 33.288 33.288 30.773 2.515 18118 7772 1 16 . 1 1 76 76 ARG H H 76 9.042 9.042 8.239 0.803 18118 7773 1 16 . 1 1 77 77 MET N N 77 117.206 117.206 119.045 -1.839 18118 7774 1 16 . 1 1 77 77 MET HA H 77 4.598 4.598 4.518 0.080 18118 7775 1 16 . 1 1 77 77 MET CA C 77 52.590 52.590 56.047 -3.457 18118 7776 1 16 . 1 1 77 77 MET CB C 77 31.234 31.234 33.377 -2.143 18118 7777 1 16 . 1 1 77 77 MET H H 77 7.835 7.835 7.829 0.006 18118 7778 1 16 . 1 1 78 78 TYR N N 78 117.960 117.960 120.874 -2.914 18118 7779 1 16 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.663 -0.061 18118 7780 1 16 . 1 1 78 78 TYR CA C 78 56.028 56.028 57.825 -1.797 18118 7781 1 16 . 1 1 78 78 TYR CB C 78 37.334 37.334 40.608 -3.274 18118 7782 1 16 . 1 1 78 78 TYR H H 78 8.359 8.359 8.201 0.158 18118 7783 1 16 . 1 1 79 79 MET N N 79 124.673 124.673 124.482 0.191 18118 7784 1 16 . 1 1 79 79 MET HA H 79 4.325 4.325 4.671 -0.346 18118 7785 1 16 . 1 1 79 79 MET CA C 79 52.338 52.338 53.048 -0.710 18118 7786 1 16 . 1 1 79 79 MET CB C 79 31.907 31.907 34.793 -2.886 18118 7787 1 16 . 1 1 79 79 MET H H 79 8.642 8.642 7.767 0.875 18118 7788 1 16 . 1 1 80 80 GLY N N 80 115.191 115.191 108.582 6.609 18118 7789 1 16 . 1 1 80 80 GLY CA C 80 44.426 44.426 47.389 -2.963 18118 7790 1 16 . 1 1 80 80 GLY H H 80 8.709 8.709 8.575 0.134 18118 7791 1 16 . 1 1 81 81 GLN N N 81 121.981 121.981 119.297 2.684 18118 7792 1 16 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.585 -0.438 18118 7793 1 16 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.318 -1.761 18118 7794 1 16 . 1 1 81 81 GLN CB C 81 26.736 26.736 30.000 -3.264 18118 7795 1 16 . 1 1 81 81 GLN H H 81 8.598 8.598 8.024 0.574 18118 7796 1 16 . 1 1 82 82 ARG N N 82 118.652 118.652 118.962 -0.310 18118 7797 1 16 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.349 0.151 18118 7798 1 16 . 1 1 82 82 ARG CA C 82 51.593 51.593 54.452 -2.859 18118 7799 1 16 . 1 1 82 82 ARG CB C 82 29.507 29.507 33.983 -4.476 18118 7800 1 16 . 1 1 82 82 ARG H H 82 7.660 7.660 7.818 -0.158 18118 7801 1 16 . 1 1 84 84 VAL N N 84 125.216 125.216 122.454 2.762 18118 7802 1 16 . 1 1 84 84 VAL HA H 84 4.318 4.318 3.810 0.508 18118 7803 1 16 . 1 1 84 84 VAL CA C 84 58.647 58.647 63.113 -4.466 18118 7804 1 16 . 1 1 84 84 VAL CB C 84 31.015 31.015 32.212 -1.197 18118 7805 1 16 . 1 1 84 84 VAL H H 84 8.222 8.222 7.310 0.912 18118 7806 1 16 . 1 1 86 86 VAL N N 86 120.000 120.000 122.485 -2.485 18118 7807 1 16 . 1 1 86 86 VAL HA H 86 4.807 4.807 5.101 -0.294 18118 7808 1 16 . 1 1 86 86 VAL CA C 86 58.928 58.928 60.647 -1.719 18118 7809 1 16 . 1 1 86 86 VAL CB C 86 33.201 33.201 34.497 -1.296 18118 7810 1 16 . 1 1 87 87 TYR N N 87 120.377 120.377 126.835 -6.458 18118 7811 1 16 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.804 -0.180 18118 7812 1 16 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.821 -3.377 18118 7813 1 16 . 1 1 87 87 TYR CB C 87 40.105 40.105 43.210 -3.105 18118 7814 1 16 . 1 1 87 87 TYR H H 87 8.731 8.731 8.949 -0.218 18118 7815 1 16 . 1 1 88 88 GLU N N 88 122.304 122.304 119.635 2.669 18118 7816 1 16 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.759 -0.409 18118 7817 1 16 . 1 1 88 88 GLU CA C 88 53.640 53.640 54.654 -1.014 18118 7818 1 16 . 1 1 88 88 GLU CB C 88 28.430 28.430 32.456 -4.026 18118 7819 1 16 . 1 1 88 88 GLU H H 88 8.873 8.873 8.653 0.220 18118 7820 1 16 . 1 1 89 89 ILE N N 89 125.082 125.082 124.047 1.035 18118 7821 1 16 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.260 -0.002 18118 7822 1 16 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.706 -3.874 18118 7823 1 16 . 1 1 89 89 ILE CB C 89 34.985 34.985 38.360 -3.375 18118 7824 1 16 . 1 1 89 89 ILE H H 89 7.983 7.983 8.252 -0.269 18118 7825 1 16 . 1 1 90 90 ASN N N 90 126.142 126.142 119.385 6.757 18118 7826 1 16 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.868 -0.277 18118 7827 1 16 . 1 1 90 90 ASN CA C 90 50.615 50.615 51.872 -1.257 18118 7828 1 16 . 1 1 90 90 ASN CB C 90 36.638 36.638 41.653 -5.015 18118 7829 1 16 . 1 1 90 90 ASN H H 90 8.890 8.890 8.234 0.656 18118 7830 1 16 . 1 1 91 91 ASN N N 91 121.333 121.333 121.196 0.137 18118 7831 1 16 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.369 -0.073 18118 7832 1 16 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.148 -2.198 18118 7833 1 16 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.348 -2.043 18118 7834 1 16 . 1 1 91 91 ASN H H 91 8.867 8.867 8.900 -0.033 18118 7835 1 16 . 1 1 92 92 GLU N N 92 117.848 117.848 117.336 0.512 18118 7836 1 16 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.061 0.031 18118 7837 1 16 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.801 -3.251 18118 7838 1 16 . 1 1 92 92 GLU CB C 92 26.767 26.767 29.158 -2.391 18118 7839 1 16 . 1 1 92 92 GLU H H 92 8.869 8.869 8.554 0.315 18118 7840 1 16 . 1 1 93 93 ASP N N 93 118.819 118.819 117.645 1.174 18118 7841 1 16 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.892 -0.240 18118 7842 1 16 . 1 1 93 93 ASP CA C 93 52.137 52.137 53.166 -1.030 18118 7843 1 16 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.752 -2.230 18118 7844 1 16 . 1 1 93 93 ASP H H 93 7.965 7.965 8.024 -0.059 18118 7845 1 16 . 1 1 94 94 VAL N N 94 120.480 120.480 119.555 0.925 18118 7846 1 16 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.899 -0.625 18118 7847 1 16 . 1 1 94 94 VAL CA C 94 64.179 64.179 65.565 -1.386 18118 7848 1 16 . 1 1 94 94 VAL CB C 94 29.477 29.477 32.759 -3.282 18118 7849 1 16 . 1 1 94 94 VAL H H 94 7.406 7.406 7.604 -0.198 18118 7850 1 16 . 1 1 95 95 ASP N N 95 119.806 119.806 120.524 -0.718 18118 7851 1 16 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.233 -0.078 18118 7852 1 16 . 1 1 95 95 ASP CA C 95 55.216 55.216 58.132 -2.916 18118 7853 1 16 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.446 -1.819 18118 7854 1 16 . 1 1 95 95 ASP H H 95 8.342 8.342 7.768 0.574 18118 7855 1 16 . 1 1 96 96 ALA N N 96 119.946 119.946 119.117 0.829 18118 7856 1 16 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.275 -0.349 18118 7857 1 16 . 1 1 96 96 ALA CA C 96 52.140 52.140 53.931 -1.792 18118 7858 1 16 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.588 -2.912 18118 7859 1 16 . 1 1 96 96 ALA H H 96 8.162 8.162 8.164 -0.002 18118 7860 1 16 . 1 1 97 97 LEU N N 97 119.391 119.391 120.999 -1.608 18118 7861 1 16 . 1 1 97 97 LEU HA H 97 3.985 3.985 4.122 -0.137 18118 7862 1 16 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.260 -2.429 18118 7863 1 16 . 1 1 97 97 LEU CB C 97 39.438 39.438 42.142 -2.704 18118 7864 1 16 . 1 1 97 97 LEU H H 97 7.679 7.679 7.238 0.441 18118 7865 1 16 . 1 1 98 98 MET N N 98 118.055 118.055 118.199 -0.144 18118 7866 1 16 . 1 1 98 98 MET HA H 98 4.128 4.128 3.996 0.132 18118 7867 1 16 . 1 1 98 98 MET CA C 98 54.606 54.606 58.553 -3.947 18118 7868 1 16 . 1 1 98 98 MET CB C 98 27.902 27.902 31.364 -3.462 18118 7869 1 16 . 1 1 98 98 MET H H 98 8.504 8.504 8.438 0.066 18118 7870 1 16 . 1 1 99 99 LYS N N 99 119.351 119.351 119.185 0.166 18118 7871 1 16 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.096 -0.125 18118 7872 1 16 . 1 1 99 99 LYS CA C 99 56.301 56.301 58.485 -2.184 18118 7873 1 16 . 1 1 99 99 LYS CB C 99 29.692 29.692 31.718 -2.026 18118 7874 1 16 . 1 1 99 99 LYS H H 99 7.986 7.986 8.017 -0.031 18118 7875 1 16 . 1 1 100 100 SER N N 100 114.964 114.964 114.091 0.873 18118 7876 1 16 . 1 1 100 100 SER HA H 100 4.268 4.268 4.316 -0.048 18118 7877 1 16 . 1 1 100 100 SER CA C 100 57.764 57.764 60.231 -2.467 18118 7878 1 16 . 1 1 100 100 SER CB C 100 60.753 60.753 62.843 -2.091 18118 7879 1 16 . 1 1 100 100 SER H H 100 7.711 7.711 7.868 -0.157 18118 7880 1 16 . 1 1 101 101 LEU N N 101 120.679 120.679 118.300 2.379 18118 7881 1 16 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.505 -0.345 18118 7882 1 16 . 1 1 101 101 LEU CA C 101 52.893 52.893 53.978 -1.085 18118 7883 1 16 . 1 1 101 101 LEU CB C 101 39.541 39.541 42.084 -2.543 18118 7884 1 16 . 1 1 101 101 LEU H H 101 7.405 7.405 7.357 0.048 18118 7885 1 16 . 1 1 102 102 GLN N N 102 117.646 117.646 120.899 -3.253 18118 7886 1 16 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.489 -0.294 18118 7887 1 16 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.118 -1.758 18118 7888 1 16 . 1 1 102 102 GLN CB C 102 26.480 26.480 28.393 -1.913 18118 7889 1 16 . 1 1 102 102 GLN H H 102 7.588 7.588 7.787 -0.199 18118 7890 1 16 . 1 1 103 103 VAL N N 103 120.269 120.269 125.781 -5.512 18118 7891 1 16 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.278 -0.263 18118 7892 1 16 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.340 -2.585 18118 7893 1 16 . 1 1 103 103 VAL CB C 103 30.579 30.579 30.391 0.188 18118 7894 1 16 . 1 1 103 103 VAL H H 103 7.839 7.839 8.491 -0.652 18118 7895 1 16 . 1 1 104 104 LYS N N 104 125.201 125.201 125.794 -0.593 18118 7896 1 16 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.487 -0.144 18118 7897 1 16 . 1 1 104 104 LYS CA C 104 53.348 53.348 56.287 -2.939 18118 7898 1 16 . 1 1 104 104 LYS CB C 104 30.634 30.634 33.393 -2.759 18118 7899 1 16 . 1 1 104 104 LYS H H 104 8.364 8.364 8.669 -0.305 18118 7900 1 16 . 1 1 105 105 SER N N 105 117.664 117.664 115.154 2.510 18118 7901 1 16 . 1 1 105 105 SER HA H 105 4.401 4.401 4.798 -0.397 18118 7902 1 16 . 1 1 105 105 SER CA C 105 55.611 55.611 57.547 -1.937 18118 7903 1 16 . 1 1 105 105 SER CB C 105 61.286 61.286 64.333 -3.047 18118 7904 1 16 . 1 1 105 105 SER H H 105 8.354 8.354 7.804 0.550 18118 7905 1 17 . 1 1 2 2 SER N N 2 118.867 118.867 117.022 1.845 18118 7906 1 17 . 1 1 2 2 SER HA H 2 4.707 4.707 4.655 0.052 18118 7907 1 17 . 1 1 2 2 SER CA C 2 55.678 55.678 58.724 -3.046 18118 7908 1 17 . 1 1 2 2 SER CB C 2 61.009 61.009 63.709 -2.700 18118 7909 1 17 . 1 1 2 2 SER H H 2 8.195 8.195 8.238 -0.043 18118 7910 1 17 . 1 1 3 3 LYS N N 3 123.188 123.188 126.114 -2.926 18118 7911 1 17 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.700 -2.991 18118 7912 1 17 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.440 -2.066 18118 7913 1 17 . 1 1 3 3 LYS H H 3 8.427 8.427 8.491 -0.064 18118 7914 1 17 . 1 1 4 4 LEU N N 4 123.342 123.342 121.929 1.413 18118 7915 1 17 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.627 -0.423 18118 7916 1 17 . 1 1 4 4 LEU CA C 4 52.990 52.990 54.184 -1.194 18118 7917 1 17 . 1 1 4 4 LEU CB C 4 39.667 39.667 44.148 -4.481 18118 7918 1 17 . 1 1 4 4 LEU H H 4 8.311 8.311 8.275 0.036 18118 7919 1 17 . 1 1 5 5 GLU N N 5 120.431 120.431 120.363 0.068 18118 7920 1 17 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.625 -0.468 18118 7921 1 17 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.012 -1.782 18118 7922 1 17 . 1 1 5 5 GLU CB C 5 27.847 27.847 29.280 -1.433 18118 7923 1 17 . 1 1 5 5 GLU H H 5 8.321 8.321 8.564 -0.243 18118 7924 1 17 . 1 1 6 6 GLU N N 6 120.027 120.027 121.078 -1.051 18118 7925 1 17 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.567 -0.376 18118 7926 1 17 . 1 1 6 6 GLU CA C 6 53.842 53.842 55.459 -1.617 18118 7927 1 17 . 1 1 6 6 GLU CB C 6 27.723 27.723 31.357 -3.634 18118 7928 1 17 . 1 1 6 6 GLU H H 6 8.177 8.177 8.209 -0.032 18118 7929 1 17 . 1 1 7 7 GLU N N 7 121.663 121.663 121.096 0.567 18118 7930 1 17 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.430 -0.239 18118 7931 1 17 . 1 1 7 7 GLU CA C 7 53.679 53.679 55.893 -2.214 18118 7932 1 17 . 1 1 7 7 GLU CB C 7 27.548 27.548 30.342 -2.794 18118 7933 1 17 . 1 1 7 7 GLU H H 7 8.228 8.228 8.551 -0.323 18118 7934 1 17 . 1 1 8 8 VAL N N 8 120.733 120.733 119.273 1.460 18118 7935 1 17 . 1 1 8 8 VAL HA H 8 4.086 4.086 3.933 0.153 18118 7936 1 17 . 1 1 8 8 VAL CA C 8 59.139 59.139 63.325 -4.186 18118 7937 1 17 . 1 1 8 8 VAL CB C 8 30.700 30.700 32.043 -1.343 18118 7938 1 17 . 1 1 8 8 VAL H H 8 8.102 8.102 7.839 0.263 18118 7939 1 17 . 1 1 9 9 ASP N N 9 124.190 124.190 126.161 -1.971 18118 7940 1 17 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.628 -0.071 18118 7941 1 17 . 1 1 9 9 ASP CA C 9 51.180 51.180 53.312 -2.132 18118 7942 1 17 . 1 1 9 9 ASP CB C 9 38.781 38.781 42.783 -4.002 18118 7943 1 17 . 1 1 9 9 ASP H H 9 8.313 8.313 8.349 -0.036 18118 7944 1 17 . 1 1 10 10 ASP N N 10 120.966 120.966 120.636 0.330 18118 7945 1 17 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.529 -0.150 18118 7946 1 17 . 1 1 10 10 ASP CA C 10 51.555 51.555 52.961 -1.406 18118 7947 1 17 . 1 1 10 10 ASP CB C 10 39.138 39.138 39.685 -0.547 18118 7948 1 17 . 1 1 10 10 ASP H H 10 8.106 8.106 8.366 -0.260 18118 7949 1 17 . 1 1 11 11 VAL N N 11 119.321 119.321 122.681 -3.360 18118 7950 1 17 . 1 1 11 11 VAL HA H 11 3.919 3.919 4.030 -0.111 18118 7951 1 17 . 1 1 11 11 VAL CA C 11 58.721 58.721 62.056 -3.335 18118 7952 1 17 . 1 1 11 11 VAL CB C 11 31.300 31.300 32.488 -1.188 18118 7953 1 17 . 1 1 11 11 VAL H H 11 7.528 7.528 7.445 0.083 18118 7954 1 17 . 1 1 12 12 PHE N N 12 125.723 125.723 120.084 5.639 18118 7955 1 17 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.723 -0.137 18118 7956 1 17 . 1 1 12 12 PHE CA C 12 53.764 53.764 57.220 -3.456 18118 7957 1 17 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.748 -1.050 18118 7958 1 17 . 1 1 12 12 PHE H H 12 8.573 8.573 8.400 0.173 18118 7959 1 17 . 1 1 13 13 LEU N N 13 123.923 123.923 120.151 3.772 18118 7960 1 17 . 1 1 13 13 LEU HA H 13 5.232 5.232 4.880 0.352 18118 7961 1 17 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.228 -1.867 18118 7962 1 17 . 1 1 13 13 LEU CB C 13 44.651 44.651 45.953 -1.302 18118 7963 1 17 . 1 1 13 13 LEU H H 13 8.794 8.794 7.589 1.205 18118 7964 1 17 . 1 1 14 14 ILE N N 14 114.563 114.563 115.576 -1.013 18118 7965 1 17 . 1 1 14 14 ILE HA H 14 4.891 4.891 5.006 -0.115 18118 7966 1 17 . 1 1 14 14 ILE CA C 14 55.381 55.381 58.924 -3.543 18118 7967 1 17 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.587 -3.268 18118 7968 1 17 . 1 1 14 14 ILE H H 14 8.316 8.316 8.059 0.257 18118 7969 1 17 . 1 1 15 15 ARG N N 15 122.555 122.555 122.006 0.549 18118 7970 1 17 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.291 0.043 18118 7971 1 17 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.209 -2.916 18118 7972 1 17 . 1 1 15 15 ARG CB C 15 31.850 31.850 33.197 -1.347 18118 7973 1 17 . 1 1 15 15 ARG H H 15 9.231 9.231 8.892 0.339 18118 7974 1 17 . 1 1 16 16 ALA N N 16 127.755 127.755 129.822 -2.067 18118 7975 1 17 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.007 0.689 18118 7976 1 17 . 1 1 16 16 ALA CA C 16 46.775 46.775 51.540 -4.765 18118 7977 1 17 . 1 1 16 16 ALA CB C 16 18.337 18.337 20.758 -2.421 18118 7978 1 17 . 1 1 16 16 ALA H H 16 9.005 9.005 8.980 0.025 18118 7979 1 17 . 1 1 17 17 GLN N N 17 121.076 121.076 119.872 1.204 18118 7980 1 17 . 1 1 17 17 GLN HA H 17 5.135 5.135 5.171 -0.036 18118 7981 1 17 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.357 -2.525 18118 7982 1 17 . 1 1 17 17 GLN CB C 17 30.738 30.738 33.561 -2.823 18118 7983 1 17 . 1 1 17 17 GLN H H 17 9.557 9.557 8.311 1.246 18118 7984 1 17 . 1 1 18 18 GLY N N 18 110.950 110.950 107.811 3.139 18118 7985 1 17 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.641 -2.819 18118 7986 1 17 . 1 1 18 18 GLY H H 18 8.294 8.294 8.303 -0.009 18118 7987 1 17 . 1 1 19 19 LEU N N 19 118.809 118.809 121.505 -2.696 18118 7988 1 17 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.513 -0.481 18118 7989 1 17 . 1 1 19 19 LEU CA C 19 50.705 50.705 52.212 -1.507 18118 7990 1 17 . 1 1 19 19 LEU CB C 19 37.568 37.568 42.542 -4.974 18118 7991 1 17 . 1 1 19 19 LEU H H 19 8.292 8.292 7.540 0.752 18118 7992 1 17 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.313 -0.021 18118 7993 1 17 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.176 -2.075 18118 7994 1 17 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.618 -3.419 18118 7995 1 17 . 1 1 21 21 TRP N N 21 124.383 124.383 120.813 3.570 18118 7996 1 17 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.462 0.228 18118 7997 1 17 . 1 1 21 21 TRP CA C 21 56.237 56.237 59.344 -3.107 18118 7998 1 17 . 1 1 21 21 TRP CB C 21 25.965 25.965 29.224 -3.259 18118 7999 1 17 . 1 1 21 21 TRP H H 21 8.527 8.527 8.237 0.290 18118 8000 1 17 . 1 1 22 22 SER N N 22 109.532 109.532 117.148 -7.616 18118 8001 1 17 . 1 1 22 22 SER HA H 22 4.099 4.099 4.631 -0.532 18118 8002 1 17 . 1 1 22 22 SER CA C 22 54.162 54.162 56.794 -2.632 18118 8003 1 17 . 1 1 22 22 SER CB C 22 60.334 60.334 61.091 -0.757 18118 8004 1 17 . 1 1 22 22 SER H H 22 7.436 7.436 8.502 -1.066 18118 8005 1 17 . 1 1 23 23 CYS N N 23 119.744 119.744 123.778 -4.034 18118 8006 1 17 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.759 -0.293 18118 8007 1 17 . 1 1 23 23 CYS CA C 23 55.975 55.975 58.079 -2.104 18118 8008 1 17 . 1 1 23 23 CYS CB C 23 25.489 25.489 26.676 -1.187 18118 8009 1 17 . 1 1 23 23 CYS H H 23 7.221 7.221 8.125 -0.904 18118 8010 1 17 . 1 1 24 24 THR N N 24 115.371 115.371 121.833 -6.462 18118 8011 1 17 . 1 1 24 24 THR HA H 24 4.697 4.697 4.461 0.236 18118 8012 1 17 . 1 1 24 24 THR CA C 24 57.172 57.172 61.005 -3.833 18118 8013 1 17 . 1 1 24 24 THR CB C 24 56.222 56.222 70.474 -14.252 18118 8014 1 17 . 1 1 24 24 THR H H 24 9.082 9.082 8.921 0.161 18118 8015 1 17 . 1 1 25 25 MET N N 25 118.539 118.539 121.318 -2.779 18118 8016 1 17 . 1 1 25 25 MET HA H 25 4.161 4.161 4.216 -0.055 18118 8017 1 17 . 1 1 25 25 MET CA C 25 57.241 57.241 58.104 -0.863 18118 8018 1 17 . 1 1 25 25 MET CB C 25 29.452 29.452 31.988 -2.536 18118 8019 1 17 . 1 1 25 25 MET H H 25 8.794 8.794 8.945 -0.151 18118 8020 1 17 . 1 1 26 26 GLU N N 26 118.967 118.967 119.045 -0.078 18118 8021 1 17 . 1 1 26 26 GLU HA H 26 3.802 3.802 4.060 -0.258 18118 8022 1 17 . 1 1 26 26 GLU CA C 26 57.247 57.247 59.938 -2.691 18118 8023 1 17 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.793 -2.130 18118 8024 1 17 . 1 1 26 26 GLU H H 26 8.462 8.462 8.907 -0.445 18118 8025 1 17 . 1 1 27 27 ASP N N 27 118.711 118.711 120.705 -1.994 18118 8026 1 17 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.382 -0.083 18118 8027 1 17 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.735 -2.664 18118 8028 1 17 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.863 -2.207 18118 8029 1 17 . 1 1 27 27 ASP H H 27 7.812 7.812 8.000 -0.188 18118 8030 1 17 . 1 1 28 28 VAL N N 28 120.825 120.825 121.040 -0.215 18118 8031 1 17 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.671 -0.227 18118 8032 1 17 . 1 1 28 28 VAL CA C 28 64.841 64.841 65.389 -0.548 18118 8033 1 17 . 1 1 28 28 VAL CB C 28 29.052 29.052 32.033 -2.981 18118 8034 1 17 . 1 1 28 28 VAL H H 28 7.528 7.528 7.338 0.190 18118 8035 1 17 . 1 1 29 29 LEU N N 29 120.586 120.586 120.119 0.467 18118 8036 1 17 . 1 1 29 29 LEU HA H 29 3.778 3.778 3.908 -0.130 18118 8037 1 17 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.122 -2.140 18118 8038 1 17 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.587 -2.633 18118 8039 1 17 . 1 1 29 29 LEU H H 29 8.399 8.399 8.352 0.047 18118 8040 1 17 . 1 1 30 30 ASN N N 30 114.059 114.059 117.149 -3.090 18118 8041 1 17 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.447 -0.049 18118 8042 1 17 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.512 -4.032 18118 8043 1 17 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.491 -2.359 18118 8044 1 17 . 1 1 30 30 ASN H H 30 8.156 8.156 7.870 0.286 18118 8045 1 17 . 1 1 31 31 PHE N N 31 123.816 123.816 122.350 1.466 18118 8046 1 17 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.169 -0.042 18118 8047 1 17 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.525 -1.706 18118 8048 1 17 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.205 -2.029 18118 8049 1 17 . 1 1 31 31 PHE H H 31 8.033 8.033 7.590 0.443 18118 8050 1 17 . 1 1 32 32 PHE N N 32 115.681 115.681 114.585 1.096 18118 8051 1 17 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.692 -0.039 18118 8052 1 17 . 1 1 32 32 PHE CA C 32 54.039 54.039 54.751 -0.712 18118 8053 1 17 . 1 1 32 32 PHE CB C 32 35.047 35.047 36.956 -1.909 18118 8054 1 17 . 1 1 32 32 PHE H H 32 7.622 7.622 8.650 -1.028 18118 8055 1 17 . 1 1 33 33 SER N N 33 113.797 113.797 116.892 -3.095 18118 8056 1 17 . 1 1 33 33 SER HA H 33 4.111 4.111 4.213 -0.102 18118 8057 1 17 . 1 1 33 33 SER CA C 33 59.041 59.041 61.069 -2.027 18118 8058 1 17 . 1 1 33 33 SER CB C 33 60.339 60.339 63.235 -2.896 18118 8059 1 17 . 1 1 33 33 SER H H 33 6.834 6.834 7.533 -0.699 18118 8060 1 17 . 1 1 34 34 ASP N N 34 119.155 119.155 118.954 0.201 18118 8061 1 17 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.657 -0.076 18118 8062 1 17 . 1 1 34 34 ASP CA C 34 51.606 51.606 54.935 -3.329 18118 8063 1 17 . 1 1 34 34 ASP CB C 34 37.727 37.727 40.824 -3.097 18118 8064 1 17 . 1 1 34 34 ASP H H 34 8.717 8.717 8.674 0.043 18118 8065 1 17 . 1 1 35 35 CYS N N 35 117.269 117.269 118.250 -0.981 18118 8066 1 17 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.720 -0.212 18118 8067 1 17 . 1 1 35 35 CYS CA C 35 54.961 54.961 57.520 -2.559 18118 8068 1 17 . 1 1 35 35 CYS CB C 35 27.986 27.986 29.181 -1.195 18118 8069 1 17 . 1 1 35 35 CYS H H 35 8.009 8.009 8.063 -0.054 18118 8070 1 17 . 1 1 36 36 ARG N N 36 123.980 123.980 126.513 -2.533 18118 8071 1 17 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.350 -0.061 18118 8072 1 17 . 1 1 36 36 ARG CA C 36 52.728 52.728 55.069 -2.341 18118 8073 1 17 . 1 1 36 36 ARG CB C 36 26.279 26.279 29.587 -3.308 18118 8074 1 17 . 1 1 36 36 ARG H H 36 8.666 8.666 8.774 -0.108 18118 8075 1 17 . 1 1 37 37 ILE N N 37 128.014 128.014 126.960 1.054 18118 8076 1 17 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.271 -0.060 18118 8077 1 17 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.460 -2.881 18118 8078 1 17 . 1 1 37 37 ILE CB C 37 36.026 36.026 39.117 -3.091 18118 8079 1 17 . 1 1 37 37 ILE H H 37 8.084 8.084 8.059 0.025 18118 8080 1 17 . 1 1 38 38 ARG N N 38 133.264 133.264 127.953 5.311 18118 8081 1 17 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.223 -0.378 18118 8082 1 17 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.481 -2.714 18118 8083 1 17 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.862 -3.033 18118 8084 1 17 . 1 1 38 38 ARG H H 38 8.662 8.662 8.769 -0.107 18118 8085 1 17 . 1 1 39 39 ASN N N 39 117.723 117.723 120.785 -3.062 18118 8086 1 17 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.392 -0.210 18118 8087 1 17 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.492 -2.790 18118 8088 1 17 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.382 -2.536 18118 8089 1 17 . 1 1 39 39 ASN H H 39 8.992 8.992 9.256 -0.264 18118 8090 1 17 . 1 1 40 40 GLY N N 40 108.314 108.314 107.562 0.752 18118 8091 1 17 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.800 -2.517 18118 8092 1 17 . 1 1 40 40 GLY H H 40 7.949 7.949 8.479 -0.530 18118 8093 1 17 . 1 1 41 41 GLU N N 41 124.398 124.398 119.999 4.399 18118 8094 1 17 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.504 -0.692 18118 8095 1 17 . 1 1 41 41 GLU CA C 41 56.741 56.741 56.431 0.310 18118 8096 1 17 . 1 1 41 41 GLU CB C 41 26.718 26.718 31.334 -4.616 18118 8097 1 17 . 1 1 41 41 GLU H H 41 9.235 9.235 8.250 0.985 18118 8098 1 17 . 1 1 42 42 ASN N N 42 113.155 113.155 119.702 -6.547 18118 8099 1 17 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.734 -0.227 18118 8100 1 17 . 1 1 42 42 ASN CA C 42 51.901 51.901 54.929 -3.028 18118 8101 1 17 . 1 1 42 42 ASN CB C 42 36.065 36.065 39.056 -2.991 18118 8102 1 17 . 1 1 42 42 ASN H H 42 7.523 7.523 8.129 -0.606 18118 8103 1 17 . 1 1 43 43 GLY N N 43 109.898 109.898 106.517 3.381 18118 8104 1 17 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.891 -2.330 18118 8105 1 17 . 1 1 43 43 GLY H H 43 8.131 8.131 7.644 0.487 18118 8106 1 17 . 1 1 44 44 ILE N N 44 119.116 119.116 121.383 -2.267 18118 8107 1 17 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.531 -0.754 18118 8108 1 17 . 1 1 44 44 ILE CA C 44 58.280 58.280 61.614 -3.334 18118 8109 1 17 . 1 1 44 44 ILE CB C 44 36.145 36.145 39.200 -3.055 18118 8110 1 17 . 1 1 44 44 ILE H H 44 6.715 6.715 7.375 -0.660 18118 8111 1 17 . 1 1 45 45 HIS N N 45 124.064 124.064 128.416 -4.352 18118 8112 1 17 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.758 0.126 18118 8113 1 17 . 1 1 45 45 HIS CA C 45 49.681 49.681 54.739 -5.058 18118 8114 1 17 . 1 1 45 45 HIS CB C 45 25.934 25.934 31.896 -5.962 18118 8115 1 17 . 1 1 45 45 HIS H H 45 8.493 8.493 9.363 -0.870 18118 8116 1 17 . 1 1 46 46 PHE N N 46 123.886 123.886 125.318 -1.432 18118 8117 1 17 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.623 -0.060 18118 8118 1 17 . 1 1 46 46 PHE CA C 46 57.122 57.122 55.082 2.040 18118 8119 1 17 . 1 1 46 46 PHE CB C 46 36.299 36.299 36.624 -0.325 18118 8120 1 17 . 1 1 46 46 PHE H H 46 9.014 9.014 8.228 0.786 18118 8121 1 17 . 1 1 47 47 LEU N N 47 124.343 124.343 124.103 0.240 18118 8122 1 17 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.058 0.446 18118 8123 1 17 . 1 1 47 47 LEU CA C 47 51.885 51.885 55.137 -3.252 18118 8124 1 17 . 1 1 47 47 LEU CB C 47 38.896 38.896 39.629 -0.733 18118 8125 1 17 . 1 1 47 47 LEU H H 47 8.066 8.066 7.841 0.225 18118 8126 1 17 . 1 1 48 48 LEU N N 48 122.809 122.809 122.226 0.583 18118 8127 1 17 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.606 0.219 18118 8128 1 17 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.207 -2.277 18118 8129 1 17 . 1 1 48 48 LEU CB C 48 41.655 41.655 44.704 -3.049 18118 8130 1 17 . 1 1 48 48 LEU H H 48 8.754 8.754 7.507 1.247 18118 8131 1 17 . 1 1 49 49 ASN N N 49 119.420 119.420 118.151 1.269 18118 8132 1 17 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.812 -0.021 18118 8133 1 17 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.561 -3.966 18118 8134 1 17 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.262 -2.527 18118 8135 1 17 . 1 1 49 49 ASN H H 49 8.757 8.757 8.550 0.207 18118 8136 1 17 . 1 1 50 50 ARG N N 50 119.367 119.367 121.067 -1.700 18118 8137 1 17 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.133 -0.107 18118 8138 1 17 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.893 -2.975 18118 8139 1 17 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.984 -2.790 18118 8140 1 17 . 1 1 50 50 ARG H H 50 8.618 8.618 8.700 -0.082 18118 8141 1 17 . 1 1 51 51 ASP N N 51 116.650 116.650 116.628 0.022 18118 8142 1 17 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.682 -0.097 18118 8143 1 17 . 1 1 51 51 ASP CA C 51 51.280 51.280 52.801 -1.521 18118 8144 1 17 . 1 1 51 51 ASP CB C 51 38.544 38.544 39.977 -1.433 18118 8145 1 17 . 1 1 51 51 ASP H H 51 7.577 7.577 7.741 -0.164 18118 8146 1 17 . 1 1 52 52 GLY N N 52 107.719 107.719 108.618 -0.899 18118 8147 1 17 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.813 -2.472 18118 8148 1 17 . 1 1 52 52 GLY H H 52 8.171 8.171 7.703 0.468 18118 8149 1 17 . 1 1 53 53 LYS N N 53 119.174 119.174 121.968 -2.794 18118 8150 1 17 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.281 0.138 18118 8151 1 17 . 1 1 53 53 LYS CA C 53 51.788 51.788 56.676 -4.888 18118 8152 1 17 . 1 1 53 53 LYS CB C 53 30.976 30.976 30.301 0.675 18118 8153 1 17 . 1 1 53 53 LYS H H 53 7.750 7.750 7.504 0.246 18118 8154 1 17 . 1 1 54 54 ARG N N 54 121.126 121.126 123.820 -2.694 18118 8155 1 17 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.682 -0.513 18118 8156 1 17 . 1 1 54 54 ARG CA C 54 54.949 54.949 57.130 -2.181 18118 8157 1 17 . 1 1 54 54 ARG CB C 54 28.054 28.054 32.033 -3.979 18118 8158 1 17 . 1 1 54 54 ARG H H 54 8.570 8.570 8.564 0.006 18118 8159 1 17 . 1 1 55 55 ARG N N 55 121.856 121.856 118.298 3.558 18118 8160 1 17 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.646 -0.605 18118 8161 1 17 . 1 1 55 55 ARG CA C 55 53.172 53.172 55.274 -2.102 18118 8162 1 17 . 1 1 55 55 ARG CB C 55 29.692 29.692 31.979 -2.287 18118 8163 1 17 . 1 1 55 55 ARG H H 55 8.352 8.352 8.432 -0.080 18118 8164 1 17 . 1 1 56 56 GLY N N 56 108.554 108.554 109.193 -0.639 18118 8165 1 17 . 1 1 56 56 GLY CA C 56 43.461 43.461 45.297 -1.836 18118 8166 1 17 . 1 1 56 56 GLY H H 56 8.683 8.683 8.547 0.136 18118 8167 1 17 . 1 1 57 57 ASP N N 57 117.136 117.136 117.092 0.044 18118 8168 1 17 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.637 0.120 18118 8169 1 17 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.080 -2.836 18118 8170 1 17 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.816 -3.551 18118 8171 1 17 . 1 1 57 57 ASP H H 57 8.018 8.018 7.839 0.179 18118 8172 1 17 . 1 1 58 58 ALA N N 58 122.425 122.425 120.672 1.753 18118 8173 1 17 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.758 0.347 18118 8174 1 17 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.393 -3.035 18118 8175 1 17 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.794 -3.350 18118 8176 1 17 . 1 1 58 58 ALA H H 58 9.137 9.137 8.620 0.517 18118 8177 1 17 . 1 1 59 59 LEU N N 59 121.454 121.454 120.027 1.427 18118 8178 1 17 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.524 -0.277 18118 8179 1 17 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.348 -2.990 18118 8180 1 17 . 1 1 59 59 LEU CB C 59 42.166 42.166 45.087 -2.921 18118 8181 1 17 . 1 1 59 59 LEU H H 59 8.604 8.604 8.689 -0.085 18118 8182 1 17 . 1 1 60 60 ILE N N 60 123.974 123.974 119.560 4.414 18118 8183 1 17 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.760 0.078 18118 8184 1 17 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.901 -1.517 18118 8185 1 17 . 1 1 60 60 ILE CB C 60 38.147 38.147 41.665 -3.518 18118 8186 1 17 . 1 1 60 60 ILE H H 60 9.081 9.081 8.285 0.796 18118 8187 1 17 . 1 1 61 61 GLU N N 61 126.177 126.177 123.724 2.453 18118 8188 1 17 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.686 -0.141 18118 8189 1 17 . 1 1 61 61 GLU CA C 61 52.464 52.464 55.452 -2.988 18118 8190 1 17 . 1 1 61 61 GLU CB C 61 29.517 29.517 31.561 -2.044 18118 8191 1 17 . 1 1 61 61 GLU H H 61 8.832 8.832 8.546 0.286 18118 8192 1 17 . 1 1 62 62 MET N N 62 121.191 121.191 126.735 -5.544 18118 8193 1 17 . 1 1 62 62 MET HA H 62 5.131 5.131 4.638 0.493 18118 8194 1 17 . 1 1 62 62 MET CA C 62 49.938 49.938 54.765 -4.827 18118 8195 1 17 . 1 1 62 62 MET CB C 62 30.874 30.874 34.594 -3.720 18118 8196 1 17 . 1 1 62 62 MET H H 62 8.854 8.854 8.482 0.372 18118 8197 1 17 . 1 1 63 63 GLU N N 63 117.598 117.598 124.290 -6.692 18118 8198 1 17 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.140 -0.069 18118 8199 1 17 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.582 -1.427 18118 8200 1 17 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.570 -2.490 18118 8201 1 17 . 1 1 63 63 GLU H H 63 8.092 8.092 9.021 -0.929 18118 8202 1 17 . 1 1 64 64 SER N N 64 109.627 109.627 110.455 -0.828 18118 8203 1 17 . 1 1 64 64 SER HA H 64 4.113 4.113 4.695 -0.582 18118 8204 1 17 . 1 1 64 64 SER CA C 64 54.607 54.607 57.007 -2.400 18118 8205 1 17 . 1 1 64 64 SER CB C 64 65.273 65.273 65.836 -0.563 18118 8206 1 17 . 1 1 64 64 SER H H 64 7.710 7.710 7.571 0.139 18118 8207 1 17 . 1 1 65 65 GLU N N 65 121.394 121.394 121.605 -0.211 18118 8208 1 17 . 1 1 65 65 GLU HA H 65 3.485 3.485 4.230 -0.745 18118 8209 1 17 . 1 1 65 65 GLU CA C 65 56.100 56.100 59.590 -3.490 18118 8210 1 17 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.641 -3.359 18118 8211 1 17 . 1 1 65 65 GLU H H 65 8.364 8.364 9.042 -0.678 18118 8212 1 17 . 1 1 66 66 GLN N N 66 118.987 118.987 119.187 -0.200 18118 8213 1 17 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.049 -0.147 18118 8214 1 17 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.122 -2.684 18118 8215 1 17 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.132 -2.738 18118 8216 1 17 . 1 1 66 66 GLN H H 66 7.979 7.979 8.686 -0.707 18118 8217 1 17 . 1 1 67 67 ASP N N 67 118.539 118.539 118.637 -0.098 18118 8218 1 17 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.383 -0.049 18118 8219 1 17 . 1 1 67 67 ASP CA C 67 55.727 55.727 57.419 -1.692 18118 8220 1 17 . 1 1 67 67 ASP CB C 67 41.607 41.607 40.576 1.031 18118 8221 1 17 . 1 1 67 67 ASP H H 67 7.325 7.325 7.774 -0.449 18118 8222 1 17 . 1 1 68 68 VAL N N 68 119.502 119.502 119.755 -0.253 18118 8223 1 17 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.653 -0.478 18118 8224 1 17 . 1 1 68 68 VAL CA C 68 64.830 64.830 65.489 -0.659 18118 8225 1 17 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.045 -2.211 18118 8226 1 17 . 1 1 68 68 VAL H H 68 7.165 7.165 7.240 -0.075 18118 8227 1 17 . 1 1 69 69 GLN N N 69 115.899 115.899 118.208 -2.309 18118 8228 1 17 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.953 -0.219 18118 8229 1 17 . 1 1 69 69 GLN CA C 69 56.404 56.404 59.032 -2.628 18118 8230 1 17 . 1 1 69 69 GLN CB C 69 25.212 25.212 27.917 -2.705 18118 8231 1 17 . 1 1 69 69 GLN H H 69 7.718 7.718 8.083 -0.365 18118 8232 1 17 . 1 1 70 70 LYS N N 70 118.403 118.403 118.149 0.254 18118 8233 1 17 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.035 -0.107 18118 8234 1 17 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.522 -2.585 18118 8235 1 17 . 1 1 70 70 LYS CB C 70 29.946 29.946 31.215 -1.269 18118 8236 1 17 . 1 1 70 70 LYS H H 70 7.767 7.767 7.505 0.262 18118 8237 1 17 . 1 1 71 71 ALA N N 71 124.650 124.650 121.050 3.600 18118 8238 1 17 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.101 -0.074 18118 8239 1 17 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.448 -1.705 18118 8240 1 17 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.181 -2.067 18118 8241 1 17 . 1 1 71 71 ALA H H 71 8.160 8.160 7.163 0.997 18118 8242 1 17 . 1 1 72 72 LEU N N 72 116.557 116.557 119.759 -3.202 18118 8243 1 17 . 1 1 72 72 LEU HA H 72 3.794 3.794 3.876 -0.082 18118 8244 1 17 . 1 1 72 72 LEU CA C 72 54.664 54.664 58.054 -3.390 18118 8245 1 17 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.409 -2.576 18118 8246 1 17 . 1 1 72 72 LEU H H 72 8.055 8.055 8.168 -0.113 18118 8247 1 17 . 1 1 73 73 GLU N N 73 117.807 117.807 117.431 0.376 18118 8248 1 17 . 1 1 73 73 GLU HA H 73 4.090 4.090 3.893 0.197 18118 8249 1 17 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.124 -3.662 18118 8250 1 17 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.127 -2.321 18118 8251 1 17 . 1 1 73 73 GLU H H 73 7.369 7.369 7.885 -0.516 18118 8252 1 17 . 1 1 74 74 LYS N N 74 116.715 116.715 115.599 1.116 18118 8253 1 17 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.513 -0.321 18118 8254 1 17 . 1 1 74 74 LYS CA C 74 51.741 51.741 54.841 -3.100 18118 8255 1 17 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.037 -2.573 18118 8256 1 17 . 1 1 74 74 LYS H H 74 7.805 7.805 7.644 0.161 18118 8257 1 17 . 1 1 75 75 HIS N N 75 117.177 117.177 116.176 1.001 18118 8258 1 17 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.451 -0.123 18118 8259 1 17 . 1 1 75 75 HIS CA C 75 55.811 55.811 57.185 -1.374 18118 8260 1 17 . 1 1 75 75 HIS CB C 75 29.583 29.583 28.722 0.861 18118 8261 1 17 . 1 1 75 75 HIS H H 75 7.184 7.184 8.139 -0.955 18118 8262 1 17 . 1 1 76 76 ARG N N 76 121.753 121.753 114.846 6.907 18118 8263 1 17 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.505 -0.199 18118 8264 1 17 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.292 0.427 18118 8265 1 17 . 1 1 76 76 ARG CB C 76 33.288 33.288 30.971 2.317 18118 8266 1 17 . 1 1 76 76 ARG H H 76 9.042 9.042 8.189 0.853 18118 8267 1 17 . 1 1 77 77 MET N N 77 117.206 117.206 121.115 -3.909 18118 8268 1 17 . 1 1 77 77 MET HA H 77 4.598 4.598 4.668 -0.070 18118 8269 1 17 . 1 1 77 77 MET CA C 77 52.590 52.590 55.090 -2.500 18118 8270 1 17 . 1 1 77 77 MET CB C 77 31.234 31.234 33.887 -2.653 18118 8271 1 17 . 1 1 77 77 MET H H 77 7.835 7.835 7.886 -0.051 18118 8272 1 17 . 1 1 78 78 TYR N N 78 117.960 117.960 117.439 0.521 18118 8273 1 17 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.657 -0.055 18118 8274 1 17 . 1 1 78 78 TYR CA C 78 56.028 56.028 56.862 -0.834 18118 8275 1 17 . 1 1 78 78 TYR CB C 78 37.334 37.334 40.799 -3.465 18118 8276 1 17 . 1 1 78 78 TYR H H 78 8.359 8.359 8.220 0.139 18118 8277 1 17 . 1 1 79 79 MET N N 79 124.673 124.673 117.265 7.408 18118 8278 1 17 . 1 1 79 79 MET HA H 79 4.325 4.325 4.805 -0.480 18118 8279 1 17 . 1 1 79 79 MET CA C 79 52.338 52.338 55.182 -2.845 18118 8280 1 17 . 1 1 79 79 MET CB C 79 31.907 31.907 34.802 -2.895 18118 8281 1 17 . 1 1 79 79 MET H H 79 8.642 8.642 8.174 0.468 18118 8282 1 17 . 1 1 80 80 GLY N N 80 115.191 115.191 108.065 7.126 18118 8283 1 17 . 1 1 80 80 GLY CA C 80 44.426 44.426 45.296 -0.870 18118 8284 1 17 . 1 1 80 80 GLY H H 80 8.709 8.709 7.714 0.995 18118 8285 1 17 . 1 1 81 81 GLN N N 81 121.981 121.981 119.285 2.696 18118 8286 1 17 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.818 -0.671 18118 8287 1 17 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.456 -1.899 18118 8288 1 17 . 1 1 81 81 GLN CB C 81 26.736 26.736 29.516 -2.780 18118 8289 1 17 . 1 1 81 81 GLN H H 81 8.598 8.598 8.248 0.350 18118 8290 1 17 . 1 1 82 82 ARG N N 82 118.652 118.652 119.112 -0.460 18118 8291 1 17 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.437 0.063 18118 8292 1 17 . 1 1 82 82 ARG CA C 82 51.593 51.593 55.165 -3.572 18118 8293 1 17 . 1 1 82 82 ARG CB C 82 29.507 29.507 30.707 -1.200 18118 8294 1 17 . 1 1 82 82 ARG H H 82 7.660 7.660 8.026 -0.366 18118 8295 1 17 . 1 1 84 84 VAL N N 84 125.216 125.216 117.511 7.705 18118 8296 1 17 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.345 -0.027 18118 8297 1 17 . 1 1 84 84 VAL CA C 84 58.647 58.647 59.551 -0.904 18118 8298 1 17 . 1 1 84 84 VAL CB C 84 31.015 31.015 34.987 -3.972 18118 8299 1 17 . 1 1 84 84 VAL H H 84 8.222 8.222 8.331 -0.109 18118 8300 1 17 . 1 1 86 86 VAL N N 86 120.000 120.000 120.723 -0.723 18118 8301 1 17 . 1 1 86 86 VAL HA H 86 4.807 4.807 4.925 -0.118 18118 8302 1 17 . 1 1 86 86 VAL CA C 86 58.928 58.928 61.914 -2.986 18118 8303 1 17 . 1 1 86 86 VAL CB C 86 33.201 33.201 34.785 -1.584 18118 8304 1 17 . 1 1 87 87 TYR N N 87 120.377 120.377 123.664 -3.287 18118 8305 1 17 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.858 -0.234 18118 8306 1 17 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.844 -3.400 18118 8307 1 17 . 1 1 87 87 TYR CB C 87 40.105 40.105 43.638 -3.533 18118 8308 1 17 . 1 1 87 87 TYR H H 87 8.731 8.731 8.502 0.229 18118 8309 1 17 . 1 1 88 88 GLU N N 88 122.304 122.304 121.815 0.489 18118 8310 1 17 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.637 -0.287 18118 8311 1 17 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.014 -2.374 18118 8312 1 17 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.599 -2.169 18118 8313 1 17 . 1 1 88 88 GLU H H 88 8.873 8.873 8.714 0.159 18118 8314 1 17 . 1 1 89 89 ILE N N 89 125.082 125.082 122.099 2.983 18118 8315 1 17 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.146 0.112 18118 8316 1 17 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.678 -3.847 18118 8317 1 17 . 1 1 89 89 ILE CB C 89 34.985 34.985 37.565 -2.580 18118 8318 1 17 . 1 1 89 89 ILE H H 89 7.983 7.983 8.248 -0.265 18118 8319 1 17 . 1 1 90 90 ASN N N 90 126.142 126.142 123.287 2.855 18118 8320 1 17 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.766 -0.175 18118 8321 1 17 . 1 1 90 90 ASN CA C 90 50.615 50.615 52.189 -1.574 18118 8322 1 17 . 1 1 90 90 ASN CB C 90 36.638 36.638 39.547 -2.909 18118 8323 1 17 . 1 1 90 90 ASN H H 90 8.890 8.890 8.582 0.308 18118 8324 1 17 . 1 1 91 91 ASN N N 91 121.333 121.333 120.624 0.709 18118 8325 1 17 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.288 0.008 18118 8326 1 17 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.106 -2.156 18118 8327 1 17 . 1 1 91 91 ASN CB C 91 36.305 36.305 37.996 -1.691 18118 8328 1 17 . 1 1 91 91 ASN H H 91 8.867 8.867 8.956 -0.089 18118 8329 1 17 . 1 1 92 92 GLU N N 92 117.848 117.848 117.352 0.496 18118 8330 1 17 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.055 0.037 18118 8331 1 17 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.854 -3.303 18118 8332 1 17 . 1 1 92 92 GLU CB C 92 26.767 26.767 28.882 -2.115 18118 8333 1 17 . 1 1 92 92 GLU H H 92 8.869 8.869 8.558 0.311 18118 8334 1 17 . 1 1 93 93 ASP N N 93 118.819 118.819 117.070 1.749 18118 8335 1 17 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.895 -0.243 18118 8336 1 17 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.152 -2.015 18118 8337 1 17 . 1 1 93 93 ASP CB C 93 39.522 39.522 42.815 -3.293 18118 8338 1 17 . 1 1 93 93 ASP H H 93 7.965 7.965 8.061 -0.096 18118 8339 1 17 . 1 1 94 94 VAL N N 94 120.480 120.480 121.323 -0.843 18118 8340 1 17 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.756 -0.482 18118 8341 1 17 . 1 1 94 94 VAL CA C 94 64.179 64.179 66.137 -1.958 18118 8342 1 17 . 1 1 94 94 VAL CB C 94 29.477 29.477 32.331 -2.854 18118 8343 1 17 . 1 1 94 94 VAL H H 94 7.406 7.406 7.426 -0.020 18118 8344 1 17 . 1 1 95 95 ASP N N 95 119.806 119.806 120.415 -0.609 18118 8345 1 17 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.266 -0.111 18118 8346 1 17 . 1 1 95 95 ASP CA C 95 55.216 55.216 58.694 -3.478 18118 8347 1 17 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.418 -1.791 18118 8348 1 17 . 1 1 95 95 ASP H H 95 8.342 8.342 7.802 0.540 18118 8349 1 17 . 1 1 96 96 ALA N N 96 119.946 119.946 120.625 -0.679 18118 8350 1 17 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.233 -0.307 18118 8351 1 17 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.464 -2.324 18118 8352 1 17 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.534 -2.858 18118 8353 1 17 . 1 1 96 96 ALA H H 96 8.162 8.162 8.165 -0.003 18118 8354 1 17 . 1 1 97 97 LEU N N 97 119.391 119.391 120.760 -1.369 18118 8355 1 17 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.965 0.020 18118 8356 1 17 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.857 -3.026 18118 8357 1 17 . 1 1 97 97 LEU CB C 97 39.438 39.438 41.845 -2.407 18118 8358 1 17 . 1 1 97 97 LEU H H 97 7.679 7.679 7.341 0.338 18118 8359 1 17 . 1 1 98 98 MET N N 98 118.055 118.055 116.386 1.669 18118 8360 1 17 . 1 1 98 98 MET HA H 98 4.128 4.128 3.954 0.174 18118 8361 1 17 . 1 1 98 98 MET CA C 98 54.606 54.606 58.475 -3.869 18118 8362 1 17 . 1 1 98 98 MET CB C 98 27.902 27.902 31.666 -3.764 18118 8363 1 17 . 1 1 98 98 MET H H 98 8.504 8.504 8.240 0.264 18118 8364 1 17 . 1 1 99 99 LYS N N 99 119.351 119.351 119.549 -0.198 18118 8365 1 17 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.062 -0.091 18118 8366 1 17 . 1 1 99 99 LYS CA C 99 56.301 56.301 59.139 -2.838 18118 8367 1 17 . 1 1 99 99 LYS CB C 99 29.692 29.692 32.094 -2.402 18118 8368 1 17 . 1 1 99 99 LYS H H 99 7.986 7.986 8.016 -0.030 18118 8369 1 17 . 1 1 100 100 SER N N 100 114.964 114.964 114.612 0.352 18118 8370 1 17 . 1 1 100 100 SER HA H 100 4.268 4.268 4.328 -0.060 18118 8371 1 17 . 1 1 100 100 SER CA C 100 57.764 57.764 60.265 -2.501 18118 8372 1 17 . 1 1 100 100 SER CB C 100 60.753 60.753 62.879 -2.126 18118 8373 1 17 . 1 1 100 100 SER H H 100 7.711 7.711 7.952 -0.241 18118 8374 1 17 . 1 1 101 101 LEU N N 101 120.679 120.679 119.629 1.050 18118 8375 1 17 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.544 -0.384 18118 8376 1 17 . 1 1 101 101 LEU CA C 101 52.893 52.893 54.207 -1.314 18118 8377 1 17 . 1 1 101 101 LEU CB C 101 39.541 39.541 42.882 -3.341 18118 8378 1 17 . 1 1 101 101 LEU H H 101 7.405 7.405 7.387 0.018 18118 8379 1 17 . 1 1 102 102 GLN N N 102 117.646 117.646 119.848 -2.202 18118 8380 1 17 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.255 -0.060 18118 8381 1 17 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.700 -2.340 18118 8382 1 17 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.532 -1.052 18118 8383 1 17 . 1 1 102 102 GLN H H 102 7.588 7.588 7.846 -0.258 18118 8384 1 17 . 1 1 103 103 VAL N N 103 120.269 120.269 122.527 -2.258 18118 8385 1 17 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.110 -0.095 18118 8386 1 17 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.345 -2.590 18118 8387 1 17 . 1 1 103 103 VAL CB C 103 30.579 30.579 29.666 0.913 18118 8388 1 17 . 1 1 103 103 VAL H H 103 7.839 7.839 7.533 0.306 18118 8389 1 17 . 1 1 104 104 LYS N N 104 125.201 125.201 127.200 -1.999 18118 8390 1 17 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.463 -0.120 18118 8391 1 17 . 1 1 104 104 LYS CA C 104 53.348 53.348 56.124 -2.776 18118 8392 1 17 . 1 1 104 104 LYS CB C 104 30.634 30.634 34.730 -4.096 18118 8393 1 17 . 1 1 104 104 LYS H H 104 8.364 8.364 7.890 0.474 18118 8394 1 17 . 1 1 105 105 SER N N 105 117.664 117.664 119.794 -2.130 18118 8395 1 17 . 1 1 105 105 SER HA H 105 4.401 4.401 4.727 -0.326 18118 8396 1 17 . 1 1 105 105 SER CA C 105 55.611 55.611 58.211 -2.600 18118 8397 1 17 . 1 1 105 105 SER CB C 105 61.286 61.286 64.145 -2.859 18118 8398 1 17 . 1 1 105 105 SER H H 105 8.354 8.354 8.743 -0.389 18118 8399 1 18 . 1 1 2 2 SER N N 2 118.867 118.867 118.503 0.364 18118 8400 1 18 . 1 1 2 2 SER HA H 2 4.707 4.707 4.722 -0.015 18118 8401 1 18 . 1 1 2 2 SER CA C 2 55.678 55.678 58.161 -2.483 18118 8402 1 18 . 1 1 2 2 SER CB C 2 61.009 61.009 64.355 -3.346 18118 8403 1 18 . 1 1 2 2 SER H H 2 8.195 8.195 8.100 0.095 18118 8404 1 18 . 1 1 3 3 LYS N N 3 123.188 123.188 121.409 1.779 18118 8405 1 18 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.386 -2.678 18118 8406 1 18 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.809 -2.435 18118 8407 1 18 . 1 1 3 3 LYS H H 3 8.427 8.427 8.384 0.043 18118 8408 1 18 . 1 1 4 4 LEU N N 4 123.342 123.342 122.570 0.772 18118 8409 1 18 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.539 -0.335 18118 8410 1 18 . 1 1 4 4 LEU CA C 4 52.990 52.990 54.933 -1.943 18118 8411 1 18 . 1 1 4 4 LEU CB C 4 39.667 39.667 42.496 -2.829 18118 8412 1 18 . 1 1 4 4 LEU H H 4 8.311 8.311 7.860 0.451 18118 8413 1 18 . 1 1 5 5 GLU N N 5 120.431 120.431 119.065 1.366 18118 8414 1 18 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.455 -0.298 18118 8415 1 18 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.219 -1.989 18118 8416 1 18 . 1 1 5 5 GLU CB C 5 27.847 27.847 30.216 -2.369 18118 8417 1 18 . 1 1 5 5 GLU H H 5 8.321 8.321 8.705 -0.384 18118 8418 1 18 . 1 1 6 6 GLU N N 6 120.027 120.027 120.919 -0.892 18118 8419 1 18 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.407 -0.216 18118 8420 1 18 . 1 1 6 6 GLU CA C 6 53.842 53.842 55.874 -2.032 18118 8421 1 18 . 1 1 6 6 GLU CB C 6 27.723 27.723 30.515 -2.792 18118 8422 1 18 . 1 1 6 6 GLU H H 6 8.177 8.177 8.284 -0.107 18118 8423 1 18 . 1 1 7 7 GLU N N 7 121.663 121.663 120.066 1.597 18118 8424 1 18 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.478 -0.287 18118 8425 1 18 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.160 -2.482 18118 8426 1 18 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.509 -1.961 18118 8427 1 18 . 1 1 7 7 GLU H H 7 8.228 8.228 8.882 -0.654 18118 8428 1 18 . 1 1 8 8 VAL N N 8 120.733 120.733 119.825 0.908 18118 8429 1 18 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.093 -0.007 18118 8430 1 18 . 1 1 8 8 VAL CA C 8 59.139 59.139 61.903 -2.764 18118 8431 1 18 . 1 1 8 8 VAL CB C 8 30.700 30.700 32.287 -1.587 18118 8432 1 18 . 1 1 8 8 VAL H H 8 8.102 8.102 7.630 0.472 18118 8433 1 18 . 1 1 9 9 ASP N N 9 124.190 124.190 121.076 3.114 18118 8434 1 18 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.959 -0.402 18118 8435 1 18 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.367 -3.187 18118 8436 1 18 . 1 1 9 9 ASP CB C 9 38.781 38.781 40.935 -2.154 18118 8437 1 18 . 1 1 9 9 ASP H H 9 8.313 8.313 8.507 -0.194 18118 8438 1 18 . 1 1 10 10 ASP N N 10 120.966 120.966 120.067 0.899 18118 8439 1 18 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.730 -0.351 18118 8440 1 18 . 1 1 10 10 ASP CA C 10 51.555 51.555 53.815 -2.260 18118 8441 1 18 . 1 1 10 10 ASP CB C 10 39.138 39.138 41.378 -2.240 18118 8442 1 18 . 1 1 10 10 ASP H H 10 8.106 8.106 8.386 -0.280 18118 8443 1 18 . 1 1 11 11 VAL N N 11 119.321 119.321 120.469 -1.148 18118 8444 1 18 . 1 1 11 11 VAL HA H 11 3.919 3.919 3.906 0.013 18118 8445 1 18 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.546 -2.825 18118 8446 1 18 . 1 1 11 11 VAL CB C 11 31.300 31.300 33.215 -1.915 18118 8447 1 18 . 1 1 11 11 VAL H H 11 7.528 7.528 7.845 -0.317 18118 8448 1 18 . 1 1 12 12 PHE N N 12 125.723 125.723 123.875 1.848 18118 8449 1 18 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.756 -0.170 18118 8450 1 18 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.589 -1.825 18118 8451 1 18 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.829 -1.131 18118 8452 1 18 . 1 1 12 12 PHE H H 12 8.573 8.573 8.299 0.274 18118 8453 1 18 . 1 1 13 13 LEU N N 13 123.923 123.923 123.482 0.441 18118 8454 1 18 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.408 -0.176 18118 8455 1 18 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.525 -2.164 18118 8456 1 18 . 1 1 13 13 LEU CB C 13 44.651 44.651 45.797 -1.146 18118 8457 1 18 . 1 1 13 13 LEU H H 13 8.794 8.794 7.645 1.149 18118 8458 1 18 . 1 1 14 14 ILE N N 14 114.563 114.563 118.133 -3.570 18118 8459 1 18 . 1 1 14 14 ILE HA H 14 4.891 4.891 4.877 0.014 18118 8460 1 18 . 1 1 14 14 ILE CA C 14 55.381 55.381 59.021 -3.640 18118 8461 1 18 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.415 -3.097 18118 8462 1 18 . 1 1 14 14 ILE H H 14 8.316 8.316 8.724 -0.408 18118 8463 1 18 . 1 1 15 15 ARG N N 15 122.555 122.555 121.877 0.678 18118 8464 1 18 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.278 0.056 18118 8465 1 18 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.193 -2.900 18118 8466 1 18 . 1 1 15 15 ARG CB C 15 31.850 31.850 34.338 -2.488 18118 8467 1 18 . 1 1 15 15 ARG H H 15 9.231 9.231 9.026 0.205 18118 8468 1 18 . 1 1 16 16 ALA N N 16 127.755 127.755 127.522 0.233 18118 8469 1 18 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.563 0.133 18118 8470 1 18 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.091 -3.316 18118 8471 1 18 . 1 1 16 16 ALA CB C 16 18.337 18.337 23.307 -4.970 18118 8472 1 18 . 1 1 16 16 ALA H H 16 9.005 9.005 8.942 0.063 18118 8473 1 18 . 1 1 17 17 GLN N N 17 121.076 121.076 118.630 2.446 18118 8474 1 18 . 1 1 17 17 GLN HA H 17 5.135 5.135 5.066 0.069 18118 8475 1 18 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.432 -2.600 18118 8476 1 18 . 1 1 17 17 GLN CB C 17 30.738 30.738 33.669 -2.931 18118 8477 1 18 . 1 1 17 17 GLN H H 17 9.557 9.557 9.100 0.457 18118 8478 1 18 . 1 1 18 18 GLY N N 18 110.950 110.950 107.584 3.366 18118 8479 1 18 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.043 -2.221 18118 8480 1 18 . 1 1 18 18 GLY H H 18 8.294 8.294 8.534 -0.240 18118 8481 1 18 . 1 1 19 19 LEU N N 19 118.809 118.809 121.364 -2.555 18118 8482 1 18 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.141 -0.109 18118 8483 1 18 . 1 1 19 19 LEU CA C 19 50.705 50.705 54.036 -3.331 18118 8484 1 18 . 1 1 19 19 LEU CB C 19 37.568 37.568 41.630 -4.062 18118 8485 1 18 . 1 1 19 19 LEU H H 19 8.292 8.292 7.781 0.511 18118 8486 1 18 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.399 -0.107 18118 8487 1 18 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.038 -1.937 18118 8488 1 18 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.659 -3.460 18118 8489 1 18 . 1 1 21 21 TRP N N 21 124.383 124.383 121.937 2.446 18118 8490 1 18 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.352 0.338 18118 8491 1 18 . 1 1 21 21 TRP CA C 21 56.237 56.237 60.422 -4.185 18118 8492 1 18 . 1 1 21 21 TRP CB C 21 25.965 25.965 29.096 -3.131 18118 8493 1 18 . 1 1 21 21 TRP H H 21 8.527 8.527 8.700 -0.173 18118 8494 1 18 . 1 1 22 22 SER N N 22 109.532 109.532 116.910 -7.378 18118 8495 1 18 . 1 1 22 22 SER HA H 22 4.099 4.099 4.551 -0.452 18118 8496 1 18 . 1 1 22 22 SER CA C 22 54.162 54.162 56.885 -2.723 18118 8497 1 18 . 1 1 22 22 SER CB C 22 60.334 60.334 61.562 -1.228 18118 8498 1 18 . 1 1 22 22 SER H H 22 7.436 7.436 8.326 -0.890 18118 8499 1 18 . 1 1 23 23 CYS N N 23 119.744 119.744 122.344 -2.600 18118 8500 1 18 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.360 0.106 18118 8501 1 18 . 1 1 23 23 CYS CA C 23 55.975 55.975 57.689 -1.714 18118 8502 1 18 . 1 1 23 23 CYS CB C 23 25.489 25.489 26.922 -1.433 18118 8503 1 18 . 1 1 23 23 CYS H H 23 7.221 7.221 8.030 -0.809 18118 8504 1 18 . 1 1 24 24 THR N N 24 115.371 115.371 120.164 -4.793 18118 8505 1 18 . 1 1 24 24 THR HA H 24 4.697 4.697 4.550 0.147 18118 8506 1 18 . 1 1 24 24 THR CA C 24 57.172 57.172 60.172 -3.000 18118 8507 1 18 . 1 1 24 24 THR CB C 24 56.222 56.222 70.250 -14.028 18118 8508 1 18 . 1 1 24 24 THR H H 24 9.082 9.082 9.131 -0.049 18118 8509 1 18 . 1 1 25 25 MET N N 25 118.539 118.539 120.560 -2.021 18118 8510 1 18 . 1 1 25 25 MET HA H 25 4.161 4.161 4.206 -0.045 18118 8511 1 18 . 1 1 25 25 MET CA C 25 57.241 57.241 59.033 -1.792 18118 8512 1 18 . 1 1 25 25 MET CB C 25 29.452 29.452 32.780 -3.328 18118 8513 1 18 . 1 1 25 25 MET H H 25 8.794 8.794 8.607 0.187 18118 8514 1 18 . 1 1 26 26 GLU N N 26 118.967 118.967 119.548 -0.581 18118 8515 1 18 . 1 1 26 26 GLU HA H 26 3.802 3.802 4.000 -0.198 18118 8516 1 18 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.092 -2.845 18118 8517 1 18 . 1 1 26 26 GLU CB C 26 26.663 26.663 29.211 -2.548 18118 8518 1 18 . 1 1 26 26 GLU H H 26 8.462 8.462 8.506 -0.044 18118 8519 1 18 . 1 1 27 27 ASP N N 27 118.711 118.711 119.755 -1.044 18118 8520 1 18 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.372 -0.073 18118 8521 1 18 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.868 -2.797 18118 8522 1 18 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.338 -1.682 18118 8523 1 18 . 1 1 27 27 ASP H H 27 7.812 7.812 8.253 -0.441 18118 8524 1 18 . 1 1 28 28 VAL N N 28 120.825 120.825 119.886 0.939 18118 8525 1 18 . 1 1 28 28 VAL HA H 28 3.444 3.444 4.017 -0.573 18118 8526 1 18 . 1 1 28 28 VAL CA C 28 64.841 64.841 65.067 -0.226 18118 8527 1 18 . 1 1 28 28 VAL CB C 28 29.052 29.052 31.720 -2.668 18118 8528 1 18 . 1 1 28 28 VAL H H 28 7.528 7.528 7.331 0.197 18118 8529 1 18 . 1 1 29 29 LEU N N 29 120.586 120.586 121.238 -0.652 18118 8530 1 18 . 1 1 29 29 LEU HA H 29 3.778 3.778 3.922 -0.144 18118 8531 1 18 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.395 -2.413 18118 8532 1 18 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.540 -2.586 18118 8533 1 18 . 1 1 29 29 LEU H H 29 8.399 8.399 8.202 0.197 18118 8534 1 18 . 1 1 30 30 ASN N N 30 114.059 114.059 117.854 -3.795 18118 8535 1 18 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.442 -0.044 18118 8536 1 18 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.388 -3.908 18118 8537 1 18 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.546 -2.414 18118 8538 1 18 . 1 1 30 30 ASN H H 30 8.156 8.156 8.297 -0.141 18118 8539 1 18 . 1 1 31 31 PHE N N 31 123.816 123.816 120.795 3.021 18118 8540 1 18 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.107 0.020 18118 8541 1 18 . 1 1 31 31 PHE CA C 31 58.819 58.819 59.902 -1.083 18118 8542 1 18 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.217 -2.041 18118 8543 1 18 . 1 1 31 31 PHE H H 31 8.033 8.033 8.102 -0.069 18118 8544 1 18 . 1 1 32 32 PHE N N 32 115.681 115.681 115.655 0.026 18118 8545 1 18 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.571 0.082 18118 8546 1 18 . 1 1 32 32 PHE CA C 32 54.039 54.039 55.939 -1.900 18118 8547 1 18 . 1 1 32 32 PHE CB C 32 35.047 35.047 38.688 -3.641 18118 8548 1 18 . 1 1 32 32 PHE H H 32 7.622 7.622 7.583 0.039 18118 8549 1 18 . 1 1 33 33 SER N N 33 113.797 113.797 118.398 -4.601 18118 8550 1 18 . 1 1 33 33 SER HA H 33 4.111 4.111 4.196 -0.085 18118 8551 1 18 . 1 1 33 33 SER CA C 33 59.041 59.041 61.241 -2.200 18118 8552 1 18 . 1 1 33 33 SER CB C 33 60.339 60.339 63.256 -2.917 18118 8553 1 18 . 1 1 33 33 SER H H 33 6.834 6.834 7.946 -1.112 18118 8554 1 18 . 1 1 34 34 ASP N N 34 119.155 119.155 120.978 -1.823 18118 8555 1 18 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.689 -0.108 18118 8556 1 18 . 1 1 34 34 ASP CA C 34 51.606 51.606 54.953 -3.346 18118 8557 1 18 . 1 1 34 34 ASP CB C 34 37.727 37.727 40.606 -2.879 18118 8558 1 18 . 1 1 34 34 ASP H H 34 8.717 8.717 8.632 0.085 18118 8559 1 18 . 1 1 35 35 CYS N N 35 117.269 117.269 114.339 2.930 18118 8560 1 18 . 1 1 35 35 CYS HA H 35 4.508 4.508 5.135 -0.627 18118 8561 1 18 . 1 1 35 35 CYS CA C 35 54.961 54.961 55.603 -0.643 18118 8562 1 18 . 1 1 35 35 CYS CB C 35 27.986 27.986 31.232 -3.246 18118 8563 1 18 . 1 1 35 35 CYS H H 35 8.009 8.009 7.548 0.461 18118 8564 1 18 . 1 1 36 36 ARG N N 36 123.980 123.980 121.227 2.753 18118 8565 1 18 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.642 -0.353 18118 8566 1 18 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.429 -1.701 18118 8567 1 18 . 1 1 36 36 ARG CB C 36 26.279 26.279 30.408 -4.129 18118 8568 1 18 . 1 1 36 36 ARG H H 36 8.666 8.666 8.430 0.236 18118 8569 1 18 . 1 1 37 37 ILE N N 37 128.014 128.014 127.269 0.745 18118 8570 1 18 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.292 -0.081 18118 8571 1 18 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.050 -2.471 18118 8572 1 18 . 1 1 37 37 ILE CB C 37 36.026 36.026 39.058 -3.032 18118 8573 1 18 . 1 1 37 37 ILE H H 37 8.084 8.084 8.812 -0.728 18118 8574 1 18 . 1 1 38 38 ARG N N 38 133.264 133.264 127.728 5.536 18118 8575 1 18 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.272 -0.427 18118 8576 1 18 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.551 -2.784 18118 8577 1 18 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.951 -3.123 18118 8578 1 18 . 1 1 38 38 ARG H H 38 8.662 8.662 8.786 -0.124 18118 8579 1 18 . 1 1 39 39 ASN N N 39 117.723 117.723 120.163 -2.440 18118 8580 1 18 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.343 -0.161 18118 8581 1 18 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.646 -2.944 18118 8582 1 18 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.491 -2.645 18118 8583 1 18 . 1 1 39 39 ASN H H 39 8.992 8.992 8.764 0.228 18118 8584 1 18 . 1 1 40 40 GLY N N 40 108.314 108.314 108.608 -0.294 18118 8585 1 18 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.703 -2.420 18118 8586 1 18 . 1 1 40 40 GLY H H 40 7.949 7.949 8.425 -0.476 18118 8587 1 18 . 1 1 41 41 GLU N N 41 124.398 124.398 124.131 0.267 18118 8588 1 18 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.260 -0.448 18118 8589 1 18 . 1 1 41 41 GLU CA C 41 56.741 56.741 57.680 -0.939 18118 8590 1 18 . 1 1 41 41 GLU CB C 41 26.718 26.718 29.717 -2.999 18118 8591 1 18 . 1 1 41 41 GLU H H 41 9.235 9.235 8.218 1.017 18118 8592 1 18 . 1 1 42 42 ASN N N 42 113.155 113.155 118.178 -5.023 18118 8593 1 18 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.778 -0.271 18118 8594 1 18 . 1 1 42 42 ASN CA C 42 51.901 51.901 54.257 -2.356 18118 8595 1 18 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.964 -2.899 18118 8596 1 18 . 1 1 42 42 ASN H H 42 7.523 7.523 7.717 -0.194 18118 8597 1 18 . 1 1 43 43 GLY N N 43 109.898 109.898 106.699 3.199 18118 8598 1 18 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.859 -2.298 18118 8599 1 18 . 1 1 43 43 GLY H H 43 8.131 8.131 7.685 0.446 18118 8600 1 18 . 1 1 44 44 ILE N N 44 119.116 119.116 122.190 -3.074 18118 8601 1 18 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.219 -0.442 18118 8602 1 18 . 1 1 44 44 ILE CA C 44 58.280 58.280 63.001 -4.721 18118 8603 1 18 . 1 1 44 44 ILE CB C 44 36.145 36.145 38.712 -2.567 18118 8604 1 18 . 1 1 44 44 ILE H H 44 6.715 6.715 7.216 -0.501 18118 8605 1 18 . 1 1 45 45 HIS N N 45 124.064 124.064 126.219 -2.155 18118 8606 1 18 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.829 0.054 18118 8607 1 18 . 1 1 45 45 HIS CA C 45 49.681 49.681 54.671 -4.990 18118 8608 1 18 . 1 1 45 45 HIS CB C 45 25.934 25.934 32.230 -6.295 18118 8609 1 18 . 1 1 45 45 HIS H H 45 8.493 8.493 9.030 -0.537 18118 8610 1 18 . 1 1 46 46 PHE N N 46 123.886 123.886 123.749 0.137 18118 8611 1 18 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.524 0.039 18118 8612 1 18 . 1 1 46 46 PHE CA C 46 57.122 57.122 56.920 0.202 18118 8613 1 18 . 1 1 46 46 PHE CB C 46 36.299 36.299 39.762 -3.463 18118 8614 1 18 . 1 1 46 46 PHE H H 46 9.014 9.014 7.892 1.122 18118 8615 1 18 . 1 1 47 47 LEU N N 47 124.343 124.343 121.788 2.555 18118 8616 1 18 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.506 -0.002 18118 8617 1 18 . 1 1 47 47 LEU CA C 47 51.885 51.885 53.822 -1.937 18118 8618 1 18 . 1 1 47 47 LEU CB C 47 38.896 38.896 45.104 -6.208 18118 8619 1 18 . 1 1 47 47 LEU H H 47 8.066 8.066 8.656 -0.590 18118 8620 1 18 . 1 1 48 48 LEU N N 48 122.809 122.809 120.121 2.688 18118 8621 1 18 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.564 0.261 18118 8622 1 18 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.355 -2.425 18118 8623 1 18 . 1 1 48 48 LEU CB C 48 41.655 41.655 45.965 -4.310 18118 8624 1 18 . 1 1 48 48 LEU H H 48 8.754 8.754 8.089 0.665 18118 8625 1 18 . 1 1 49 49 ASN N N 49 119.420 119.420 118.692 0.728 18118 8626 1 18 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.729 0.062 18118 8627 1 18 . 1 1 49 49 ASN CA C 49 48.595 48.595 53.282 -4.687 18118 8628 1 18 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.380 -2.645 18118 8629 1 18 . 1 1 49 49 ASN H H 49 8.757 8.757 8.330 0.427 18118 8630 1 18 . 1 1 50 50 ARG N N 50 119.367 119.367 120.865 -1.498 18118 8631 1 18 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.153 -0.127 18118 8632 1 18 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.504 -2.586 18118 8633 1 18 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.640 -2.446 18118 8634 1 18 . 1 1 50 50 ARG H H 50 8.618 8.618 8.718 -0.100 18118 8635 1 18 . 1 1 51 51 ASP N N 51 116.650 116.650 116.979 -0.329 18118 8636 1 18 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.733 -0.148 18118 8637 1 18 . 1 1 51 51 ASP CA C 51 51.280 51.280 52.948 -1.668 18118 8638 1 18 . 1 1 51 51 ASP CB C 51 38.544 38.544 40.625 -2.081 18118 8639 1 18 . 1 1 51 51 ASP H H 51 7.577 7.577 7.834 -0.257 18118 8640 1 18 . 1 1 52 52 GLY N N 52 107.719 107.719 108.711 -0.992 18118 8641 1 18 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.957 -2.616 18118 8642 1 18 . 1 1 52 52 GLY H H 52 8.171 8.171 8.019 0.152 18118 8643 1 18 . 1 1 53 53 LYS N N 53 119.174 119.174 119.187 -0.013 18118 8644 1 18 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.138 0.281 18118 8645 1 18 . 1 1 53 53 LYS CA C 53 51.788 51.788 56.641 -4.853 18118 8646 1 18 . 1 1 53 53 LYS CB C 53 30.976 30.976 30.612 0.364 18118 8647 1 18 . 1 1 53 53 LYS H H 53 7.750 7.750 8.524 -0.774 18118 8648 1 18 . 1 1 54 54 ARG N N 54 121.126 121.126 118.890 2.236 18118 8649 1 18 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.737 -0.568 18118 8650 1 18 . 1 1 54 54 ARG CA C 54 54.949 54.949 55.165 -0.216 18118 8651 1 18 . 1 1 54 54 ARG CB C 54 28.054 28.054 32.986 -4.932 18118 8652 1 18 . 1 1 54 54 ARG H H 54 8.570 8.570 8.017 0.553 18118 8653 1 18 . 1 1 55 55 ARG N N 55 121.856 121.856 118.442 3.414 18118 8654 1 18 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.468 -0.427 18118 8655 1 18 . 1 1 55 55 ARG CA C 55 53.172 53.172 55.422 -2.250 18118 8656 1 18 . 1 1 55 55 ARG CB C 55 29.692 29.692 31.279 -1.587 18118 8657 1 18 . 1 1 55 55 ARG H H 55 8.352 8.352 8.568 -0.216 18118 8658 1 18 . 1 1 56 56 GLY N N 56 108.554 108.554 108.926 -0.372 18118 8659 1 18 . 1 1 56 56 GLY CA C 56 43.461 43.461 45.407 -1.946 18118 8660 1 18 . 1 1 56 56 GLY H H 56 8.683 8.683 8.898 -0.215 18118 8661 1 18 . 1 1 57 57 ASP N N 57 117.136 117.136 117.623 -0.487 18118 8662 1 18 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.513 0.244 18118 8663 1 18 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.548 -3.304 18118 8664 1 18 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.226 -2.961 18118 8665 1 18 . 1 1 57 57 ASP H H 57 8.018 8.018 7.778 0.240 18118 8666 1 18 . 1 1 58 58 ALA N N 58 122.425 122.425 123.243 -0.818 18118 8667 1 18 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.986 0.119 18118 8668 1 18 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.719 -3.361 18118 8669 1 18 . 1 1 58 58 ALA CB C 58 19.444 19.444 23.048 -3.604 18118 8670 1 18 . 1 1 58 58 ALA H H 58 9.137 9.137 8.791 0.346 18118 8671 1 18 . 1 1 59 59 LEU N N 59 121.454 121.454 119.315 2.139 18118 8672 1 18 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.516 -0.269 18118 8673 1 18 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.458 -3.100 18118 8674 1 18 . 1 1 59 59 LEU CB C 59 42.166 42.166 46.840 -4.674 18118 8675 1 18 . 1 1 59 59 LEU H H 59 8.604 8.604 8.826 -0.222 18118 8676 1 18 . 1 1 60 60 ILE N N 60 123.974 123.974 120.661 3.313 18118 8677 1 18 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.677 0.161 18118 8678 1 18 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.600 -1.216 18118 8679 1 18 . 1 1 60 60 ILE CB C 60 38.147 38.147 40.295 -2.148 18118 8680 1 18 . 1 1 60 60 ILE H H 60 9.081 9.081 9.224 -0.143 18118 8681 1 18 . 1 1 61 61 GLU N N 61 126.177 126.177 126.895 -0.718 18118 8682 1 18 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.471 0.074 18118 8683 1 18 . 1 1 61 61 GLU CA C 61 52.464 52.464 56.251 -3.787 18118 8684 1 18 . 1 1 61 61 GLU CB C 61 29.517 29.517 30.033 -0.516 18118 8685 1 18 . 1 1 61 61 GLU H H 61 8.832 8.832 8.513 0.319 18118 8686 1 18 . 1 1 62 62 MET N N 62 121.191 121.191 126.415 -5.224 18118 8687 1 18 . 1 1 62 62 MET HA H 62 5.131 5.131 4.617 0.514 18118 8688 1 18 . 1 1 62 62 MET CA C 62 49.938 49.938 54.763 -4.824 18118 8689 1 18 . 1 1 62 62 MET CB C 62 30.874 30.874 34.423 -3.549 18118 8690 1 18 . 1 1 62 62 MET H H 62 8.854 8.854 8.914 -0.060 18118 8691 1 18 . 1 1 63 63 GLU N N 63 117.598 117.598 122.356 -4.758 18118 8692 1 18 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.394 -0.323 18118 8693 1 18 . 1 1 63 63 GLU CA C 63 57.155 57.155 57.703 -0.548 18118 8694 1 18 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.868 -2.788 18118 8695 1 18 . 1 1 63 63 GLU H H 63 8.092 8.092 8.558 -0.466 18118 8696 1 18 . 1 1 64 64 SER N N 64 109.627 109.627 112.132 -2.505 18118 8697 1 18 . 1 1 64 64 SER HA H 64 4.113 4.113 3.647 0.466 18118 8698 1 18 . 1 1 64 64 SER CA C 64 54.607 54.607 56.557 -1.950 18118 8699 1 18 . 1 1 64 64 SER CB C 64 65.273 65.273 65.728 -0.455 18118 8700 1 18 . 1 1 64 64 SER H H 64 7.710 7.710 7.704 0.006 18118 8701 1 18 . 1 1 65 65 GLU N N 65 121.394 121.394 123.453 -2.059 18118 8702 1 18 . 1 1 65 65 GLU HA H 65 3.485 3.485 3.975 -0.490 18118 8703 1 18 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.104 -4.004 18118 8704 1 18 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.153 -2.871 18118 8705 1 18 . 1 1 65 65 GLU H H 65 8.364 8.364 8.086 0.278 18118 8706 1 18 . 1 1 66 66 GLN N N 66 118.987 118.987 117.666 1.321 18118 8707 1 18 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.059 -0.157 18118 8708 1 18 . 1 1 66 66 GLN CA C 66 56.438 56.438 58.815 -2.377 18118 8709 1 18 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.110 -2.716 18118 8710 1 18 . 1 1 66 66 GLN H H 66 7.979 7.979 8.481 -0.502 18118 8711 1 18 . 1 1 67 67 ASP N N 67 118.539 118.539 118.075 0.464 18118 8712 1 18 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.529 -0.195 18118 8713 1 18 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.940 -1.213 18118 8714 1 18 . 1 1 67 67 ASP CB C 67 41.607 41.607 41.554 0.053 18118 8715 1 18 . 1 1 67 67 ASP H H 67 7.325 7.325 7.514 -0.189 18118 8716 1 18 . 1 1 68 68 VAL N N 68 119.502 119.502 121.212 -1.710 18118 8717 1 18 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.784 -0.609 18118 8718 1 18 . 1 1 68 68 VAL CA C 68 64.830 64.830 64.990 -0.160 18118 8719 1 18 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.881 -3.046 18118 8720 1 18 . 1 1 68 68 VAL H H 68 7.165 7.165 7.088 0.077 18118 8721 1 18 . 1 1 69 69 GLN N N 69 115.899 115.899 117.893 -1.994 18118 8722 1 18 . 1 1 69 69 GLN HA H 69 3.734 3.734 4.101 -0.367 18118 8723 1 18 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.235 -1.831 18118 8724 1 18 . 1 1 69 69 GLN CB C 69 25.212 25.212 28.010 -2.798 18118 8725 1 18 . 1 1 69 69 GLN H H 69 7.718 7.718 8.299 -0.581 18118 8726 1 18 . 1 1 70 70 LYS N N 70 118.403 118.403 119.652 -1.249 18118 8727 1 18 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.079 -0.151 18118 8728 1 18 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.611 -2.674 18118 8729 1 18 . 1 1 70 70 LYS CB C 70 29.946 29.946 31.672 -1.726 18118 8730 1 18 . 1 1 70 70 LYS H H 70 7.767 7.767 7.876 -0.109 18118 8731 1 18 . 1 1 71 71 ALA N N 71 124.650 124.650 122.195 2.455 18118 8732 1 18 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.214 -0.187 18118 8733 1 18 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.754 -2.011 18118 8734 1 18 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.199 -2.085 18118 8735 1 18 . 1 1 71 71 ALA H H 71 8.160 8.160 7.443 0.717 18118 8736 1 18 . 1 1 72 72 LEU N N 72 116.557 116.557 119.341 -2.784 18118 8737 1 18 . 1 1 72 72 LEU HA H 72 3.794 3.794 4.033 -0.239 18118 8738 1 18 . 1 1 72 72 LEU CA C 72 54.664 54.664 57.828 -3.164 18118 8739 1 18 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.867 -3.034 18118 8740 1 18 . 1 1 72 72 LEU H H 72 8.055 8.055 8.051 0.004 18118 8741 1 18 . 1 1 73 73 GLU N N 73 117.807 117.807 117.232 0.575 18118 8742 1 18 . 1 1 73 73 GLU HA H 73 4.090 4.090 3.725 0.365 18118 8743 1 18 . 1 1 73 73 GLU CA C 73 55.462 55.462 58.646 -3.184 18118 8744 1 18 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.066 -2.260 18118 8745 1 18 . 1 1 73 73 GLU H H 73 7.369 7.369 7.696 -0.327 18118 8746 1 18 . 1 1 74 74 LYS N N 74 116.715 116.715 115.885 0.830 18118 8747 1 18 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.287 -0.095 18118 8748 1 18 . 1 1 74 74 LYS CA C 74 51.741 51.741 55.280 -3.539 18118 8749 1 18 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.481 -3.017 18118 8750 1 18 . 1 1 74 74 LYS H H 74 7.805 7.805 7.460 0.345 18118 8751 1 18 . 1 1 75 75 HIS N N 75 117.177 117.177 116.317 0.860 18118 8752 1 18 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.608 -0.280 18118 8753 1 18 . 1 1 75 75 HIS CA C 75 55.811 55.811 56.432 -0.621 18118 8754 1 18 . 1 1 75 75 HIS CB C 75 29.583 29.583 28.123 1.460 18118 8755 1 18 . 1 1 75 75 HIS H H 75 7.184 7.184 7.991 -0.807 18118 8756 1 18 . 1 1 76 76 ARG N N 76 121.753 121.753 116.685 5.068 18118 8757 1 18 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.501 -0.195 18118 8758 1 18 . 1 1 76 76 ARG CA C 76 55.719 55.719 56.494 -0.775 18118 8759 1 18 . 1 1 76 76 ARG CB C 76 33.288 33.288 32.224 1.064 18118 8760 1 18 . 1 1 76 76 ARG H H 76 9.042 9.042 8.457 0.585 18118 8761 1 18 . 1 1 77 77 MET N N 77 117.206 117.206 119.603 -2.397 18118 8762 1 18 . 1 1 77 77 MET HA H 77 4.598 4.598 4.593 0.005 18118 8763 1 18 . 1 1 77 77 MET CA C 77 52.590 52.590 56.272 -3.682 18118 8764 1 18 . 1 1 77 77 MET CB C 77 31.234 31.234 33.084 -1.850 18118 8765 1 18 . 1 1 77 77 MET H H 77 7.835 7.835 7.798 0.037 18118 8766 1 18 . 1 1 78 78 TYR N N 78 117.960 117.960 116.805 1.155 18118 8767 1 18 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.661 -0.059 18118 8768 1 18 . 1 1 78 78 TYR CA C 78 56.028 56.028 56.247 -0.219 18118 8769 1 18 . 1 1 78 78 TYR CB C 78 37.334 37.334 41.042 -3.708 18118 8770 1 18 . 1 1 78 78 TYR H H 78 8.359 8.359 8.193 0.166 18118 8771 1 18 . 1 1 79 79 MET N N 79 124.673 124.673 117.641 7.032 18118 8772 1 18 . 1 1 79 79 MET HA H 79 4.325 4.325 4.420 -0.095 18118 8773 1 18 . 1 1 79 79 MET CA C 79 52.338 52.338 53.779 -1.441 18118 8774 1 18 . 1 1 79 79 MET CB C 79 31.907 31.907 35.366 -3.459 18118 8775 1 18 . 1 1 79 79 MET H H 79 8.642 8.642 8.562 0.080 18118 8776 1 18 . 1 1 80 80 GLY N N 80 115.191 115.191 109.712 5.479 18118 8777 1 18 . 1 1 80 80 GLY CA C 80 44.426 44.426 47.350 -2.924 18118 8778 1 18 . 1 1 80 80 GLY H H 80 8.709 8.709 8.622 0.087 18118 8779 1 18 . 1 1 81 81 GLN N N 81 121.981 121.981 121.175 0.806 18118 8780 1 18 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.794 -0.647 18118 8781 1 18 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.528 -1.971 18118 8782 1 18 . 1 1 81 81 GLN CB C 81 26.736 26.736 29.705 -2.969 18118 8783 1 18 . 1 1 81 81 GLN H H 81 8.598 8.598 8.342 0.256 18118 8784 1 18 . 1 1 82 82 ARG N N 82 118.652 118.652 118.934 -0.282 18118 8785 1 18 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.770 -0.270 18118 8786 1 18 . 1 1 82 82 ARG CA C 82 51.593 51.593 54.511 -2.918 18118 8787 1 18 . 1 1 82 82 ARG CB C 82 29.507 29.507 34.861 -5.354 18118 8788 1 18 . 1 1 82 82 ARG H H 82 7.660 7.660 8.411 -0.751 18118 8789 1 18 . 1 1 84 84 VAL N N 84 125.216 125.216 120.947 4.269 18118 8790 1 18 . 1 1 84 84 VAL HA H 84 4.318 4.318 5.001 -0.683 18118 8791 1 18 . 1 1 84 84 VAL CA C 84 58.647 58.647 58.990 -0.343 18118 8792 1 18 . 1 1 84 84 VAL CB C 84 31.015 31.015 36.000 -4.985 18118 8793 1 18 . 1 1 84 84 VAL H H 84 8.222 8.222 8.051 0.171 18118 8794 1 18 . 1 1 86 86 VAL N N 86 120.000 120.000 117.682 2.318 18118 8795 1 18 . 1 1 86 86 VAL HA H 86 4.807 4.807 5.182 -0.375 18118 8796 1 18 . 1 1 86 86 VAL CA C 86 58.928 58.928 58.958 -0.030 18118 8797 1 18 . 1 1 86 86 VAL CB C 86 33.201 33.201 35.283 -2.082 18118 8798 1 18 . 1 1 87 87 TYR N N 87 120.377 120.377 121.673 -1.296 18118 8799 1 18 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.893 -0.269 18118 8800 1 18 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.675 -3.231 18118 8801 1 18 . 1 1 87 87 TYR CB C 87 40.105 40.105 42.897 -2.792 18118 8802 1 18 . 1 1 87 87 TYR H H 87 8.731 8.731 9.088 -0.357 18118 8803 1 18 . 1 1 88 88 GLU N N 88 122.304 122.304 121.809 0.495 18118 8804 1 18 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.290 0.060 18118 8805 1 18 . 1 1 88 88 GLU CA C 88 53.640 53.640 57.118 -3.478 18118 8806 1 18 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.601 -2.171 18118 8807 1 18 . 1 1 88 88 GLU H H 88 8.873 8.873 8.734 0.139 18118 8808 1 18 . 1 1 89 89 ILE N N 89 125.082 125.082 118.165 6.917 18118 8809 1 18 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.493 -0.235 18118 8810 1 18 . 1 1 89 89 ILE CA C 89 55.831 55.831 58.341 -2.510 18118 8811 1 18 . 1 1 89 89 ILE CB C 89 34.985 34.985 40.010 -5.025 18118 8812 1 18 . 1 1 89 89 ILE H H 89 7.983 7.983 7.989 -0.006 18118 8813 1 18 . 1 1 90 90 ASN N N 90 126.142 126.142 117.924 8.218 18118 8814 1 18 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.932 -0.341 18118 8815 1 18 . 1 1 90 90 ASN CA C 90 50.615 50.615 52.053 -1.438 18118 8816 1 18 . 1 1 90 90 ASN CB C 90 36.638 36.638 42.263 -5.625 18118 8817 1 18 . 1 1 90 90 ASN H H 90 8.890 8.890 8.249 0.641 18118 8818 1 18 . 1 1 91 91 ASN N N 91 121.333 121.333 121.863 -0.530 18118 8819 1 18 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.395 -0.099 18118 8820 1 18 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.186 -2.236 18118 8821 1 18 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.330 -2.025 18118 8822 1 18 . 1 1 91 91 ASN H H 91 8.867 8.867 9.539 -0.672 18118 8823 1 18 . 1 1 92 92 GLU N N 92 117.848 117.848 118.506 -0.658 18118 8824 1 18 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.077 0.015 18118 8825 1 18 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.637 -3.086 18118 8826 1 18 . 1 1 92 92 GLU CB C 92 26.767 26.767 29.291 -2.524 18118 8827 1 18 . 1 1 92 92 GLU H H 92 8.869 8.869 7.984 0.885 18118 8828 1 18 . 1 1 93 93 ASP N N 93 118.819 118.819 118.235 0.584 18118 8829 1 18 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.842 -0.190 18118 8830 1 18 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.071 -1.934 18118 8831 1 18 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.626 -2.104 18118 8832 1 18 . 1 1 93 93 ASP H H 93 7.965 7.965 8.203 -0.238 18118 8833 1 18 . 1 1 94 94 VAL N N 94 120.480 120.480 119.025 1.455 18118 8834 1 18 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.916 -0.642 18118 8835 1 18 . 1 1 94 94 VAL CA C 94 64.179 64.179 64.037 0.142 18118 8836 1 18 . 1 1 94 94 VAL CB C 94 29.477 29.477 33.442 -3.965 18118 8837 1 18 . 1 1 94 94 VAL H H 94 7.406 7.406 7.334 0.072 18118 8838 1 18 . 1 1 95 95 ASP N N 95 119.806 119.806 120.831 -1.025 18118 8839 1 18 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.342 -0.187 18118 8840 1 18 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.423 -2.207 18118 8841 1 18 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.364 -1.737 18118 8842 1 18 . 1 1 95 95 ASP H H 95 8.342 8.342 8.000 0.342 18118 8843 1 18 . 1 1 96 96 ALA N N 96 119.946 119.946 121.976 -2.030 18118 8844 1 18 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.094 -0.168 18118 8845 1 18 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.631 -2.491 18118 8846 1 18 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.151 -2.475 18118 8847 1 18 . 1 1 96 96 ALA H H 96 8.162 8.162 8.385 -0.223 18118 8848 1 18 . 1 1 97 97 LEU N N 97 119.391 119.391 115.406 3.985 18118 8849 1 18 . 1 1 97 97 LEU HA H 97 3.985 3.985 4.076 -0.091 18118 8850 1 18 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.400 -2.568 18118 8851 1 18 . 1 1 97 97 LEU CB C 97 39.438 39.438 40.900 -1.462 18118 8852 1 18 . 1 1 97 97 LEU H H 97 7.679 7.679 7.895 -0.216 18118 8853 1 18 . 1 1 98 98 MET N N 98 118.055 118.055 115.718 2.337 18118 8854 1 18 . 1 1 98 98 MET HA H 98 4.128 4.128 4.149 -0.021 18118 8855 1 18 . 1 1 98 98 MET CA C 98 54.606 54.606 58.528 -3.922 18118 8856 1 18 . 1 1 98 98 MET CB C 98 27.902 27.902 31.961 -4.059 18118 8857 1 18 . 1 1 98 98 MET H H 98 8.504 8.504 7.584 0.920 18118 8858 1 18 . 1 1 99 99 LYS N N 99 119.351 119.351 119.606 -0.255 18118 8859 1 18 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.067 -0.096 18118 8860 1 18 . 1 1 99 99 LYS CA C 99 56.301 56.301 58.746 -2.445 18118 8861 1 18 . 1 1 99 99 LYS CB C 99 29.692 29.692 31.350 -1.658 18118 8862 1 18 . 1 1 99 99 LYS H H 99 7.986 7.986 7.763 0.223 18118 8863 1 18 . 1 1 100 100 SER N N 100 114.964 114.964 115.400 -0.436 18118 8864 1 18 . 1 1 100 100 SER HA H 100 4.268 4.268 4.231 0.037 18118 8865 1 18 . 1 1 100 100 SER CA C 100 57.764 57.764 60.515 -2.751 18118 8866 1 18 . 1 1 100 100 SER CB C 100 60.753 60.753 63.044 -2.291 18118 8867 1 18 . 1 1 100 100 SER H H 100 7.711 7.711 7.956 -0.245 18118 8868 1 18 . 1 1 101 101 LEU N N 101 120.679 120.679 117.596 3.083 18118 8869 1 18 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.536 -0.376 18118 8870 1 18 . 1 1 101 101 LEU CA C 101 52.893 52.893 54.492 -1.599 18118 8871 1 18 . 1 1 101 101 LEU CB C 101 39.541 39.541 43.325 -3.784 18118 8872 1 18 . 1 1 101 101 LEU H H 101 7.405 7.405 7.826 -0.421 18118 8873 1 18 . 1 1 102 102 GLN N N 102 117.646 117.646 120.409 -2.763 18118 8874 1 18 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.335 -0.140 18118 8875 1 18 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.091 -1.731 18118 8876 1 18 . 1 1 102 102 GLN CB C 102 26.480 26.480 26.281 0.199 18118 8877 1 18 . 1 1 102 102 GLN H H 102 7.588 7.588 8.217 -0.629 18118 8878 1 18 . 1 1 103 103 VAL N N 103 120.269 120.269 123.583 -3.314 18118 8879 1 18 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.099 -0.084 18118 8880 1 18 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.153 -2.398 18118 8881 1 18 . 1 1 103 103 VAL CB C 103 30.579 30.579 30.468 0.111 18118 8882 1 18 . 1 1 103 103 VAL H H 103 7.839 7.839 8.035 -0.196 18118 8883 1 18 . 1 1 104 104 LYS N N 104 125.201 125.201 127.008 -1.807 18118 8884 1 18 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.605 -0.262 18118 8885 1 18 . 1 1 104 104 LYS CA C 104 53.348 53.348 55.472 -2.124 18118 8886 1 18 . 1 1 104 104 LYS CB C 104 30.634 30.634 33.243 -2.609 18118 8887 1 18 . 1 1 104 104 LYS H H 104 8.364 8.364 7.763 0.601 18118 8888 1 18 . 1 1 105 105 SER N N 105 117.664 117.664 121.065 -3.401 18118 8889 1 18 . 1 1 105 105 SER HA H 105 4.401 4.401 4.555 -0.154 18118 8890 1 18 . 1 1 105 105 SER CA C 105 55.611 55.611 58.380 -2.769 18118 8891 1 18 . 1 1 105 105 SER CB C 105 61.286 61.286 63.688 -2.402 18118 8892 1 18 . 1 1 105 105 SER H H 105 8.354 8.354 8.548 -0.194 18118 8893 1 19 . 1 1 2 2 SER N N 2 118.867 118.867 119.946 -1.079 18118 8894 1 19 . 1 1 2 2 SER HA H 2 4.707 4.707 4.300 0.407 18118 8895 1 19 . 1 1 2 2 SER CA C 2 55.678 55.678 59.399 -3.721 18118 8896 1 19 . 1 1 2 2 SER CB C 2 61.009 61.009 63.220 -2.211 18118 8897 1 19 . 1 1 2 2 SER H H 2 8.195 8.195 8.321 -0.126 18118 8898 1 19 . 1 1 3 3 LYS N N 3 123.188 123.188 125.736 -2.548 18118 8899 1 19 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.544 -2.837 18118 8900 1 19 . 1 1 3 3 LYS CB C 3 30.374 30.374 33.036 -2.662 18118 8901 1 19 . 1 1 3 3 LYS H H 3 8.427 8.427 8.382 0.045 18118 8902 1 19 . 1 1 4 4 LEU N N 4 123.342 123.342 122.121 1.221 18118 8903 1 19 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.536 -0.332 18118 8904 1 19 . 1 1 4 4 LEU CA C 4 52.990 52.990 54.544 -1.554 18118 8905 1 19 . 1 1 4 4 LEU CB C 4 39.667 39.667 42.634 -2.967 18118 8906 1 19 . 1 1 4 4 LEU H H 4 8.311 8.311 7.974 0.337 18118 8907 1 19 . 1 1 5 5 GLU N N 5 120.431 120.431 119.675 0.756 18118 8908 1 19 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.413 -0.256 18118 8909 1 19 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.522 -2.292 18118 8910 1 19 . 1 1 5 5 GLU CB C 5 27.847 27.847 30.003 -2.156 18118 8911 1 19 . 1 1 5 5 GLU H H 5 8.321 8.321 8.542 -0.221 18118 8912 1 19 . 1 1 6 6 GLU N N 6 120.027 120.027 120.575 -0.548 18118 8913 1 19 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.379 -0.188 18118 8914 1 19 . 1 1 6 6 GLU CA C 6 53.842 53.842 56.521 -2.679 18118 8915 1 19 . 1 1 6 6 GLU CB C 6 27.723 27.723 30.543 -2.820 18118 8916 1 19 . 1 1 6 6 GLU H H 6 8.177 8.177 8.099 0.078 18118 8917 1 19 . 1 1 7 7 GLU N N 7 121.663 121.663 121.338 0.325 18118 8918 1 19 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.488 -0.297 18118 8919 1 19 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.343 -2.663 18118 8920 1 19 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.902 -2.354 18118 8921 1 19 . 1 1 7 7 GLU H H 7 8.228 8.228 8.667 -0.439 18118 8922 1 19 . 1 1 8 8 VAL N N 8 120.733 120.733 123.993 -3.260 18118 8923 1 19 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.529 -0.443 18118 8924 1 19 . 1 1 8 8 VAL CA C 8 59.139 59.139 59.546 -0.407 18118 8925 1 19 . 1 1 8 8 VAL CB C 8 30.700 30.700 33.456 -2.756 18118 8926 1 19 . 1 1 8 8 VAL H H 8 8.102 8.102 7.867 0.235 18118 8927 1 19 . 1 1 9 9 ASP N N 9 124.190 124.190 122.120 2.070 18118 8928 1 19 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.930 -0.373 18118 8929 1 19 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.186 -3.006 18118 8930 1 19 . 1 1 9 9 ASP CB C 9 38.781 38.781 40.084 -1.303 18118 8931 1 19 . 1 1 9 9 ASP H H 9 8.313 8.313 8.354 -0.041 18118 8932 1 19 . 1 1 10 10 ASP N N 10 120.966 120.966 122.871 -1.905 18118 8933 1 19 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.537 -0.158 18118 8934 1 19 . 1 1 10 10 ASP CA C 10 51.555 51.555 54.004 -2.449 18118 8935 1 19 . 1 1 10 10 ASP CB C 10 39.138 39.138 41.580 -2.442 18118 8936 1 19 . 1 1 10 10 ASP H H 10 8.106 8.106 8.330 -0.224 18118 8937 1 19 . 1 1 11 11 VAL N N 11 119.321 119.321 118.436 0.885 18118 8938 1 19 . 1 1 11 11 VAL HA H 11 3.919 3.919 3.873 0.046 18118 8939 1 19 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.574 -2.853 18118 8940 1 19 . 1 1 11 11 VAL CB C 11 31.300 31.300 34.267 -2.967 18118 8941 1 19 . 1 1 11 11 VAL H H 11 7.528 7.528 7.412 0.116 18118 8942 1 19 . 1 1 12 12 PHE N N 12 125.723 125.723 123.861 1.862 18118 8943 1 19 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.785 -0.199 18118 8944 1 19 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.433 -1.669 18118 8945 1 19 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.989 -1.291 18118 8946 1 19 . 1 1 12 12 PHE H H 12 8.573 8.573 8.284 0.289 18118 8947 1 19 . 1 1 13 13 LEU N N 13 123.923 123.923 120.398 3.525 18118 8948 1 19 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.245 -0.013 18118 8949 1 19 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.767 -2.406 18118 8950 1 19 . 1 1 13 13 LEU CB C 13 44.651 44.651 46.312 -1.661 18118 8951 1 19 . 1 1 13 13 LEU H H 13 8.794 8.794 7.540 1.254 18118 8952 1 19 . 1 1 14 14 ILE N N 14 114.563 114.563 115.423 -0.860 18118 8953 1 19 . 1 1 14 14 ILE HA H 14 4.891 4.891 4.837 0.054 18118 8954 1 19 . 1 1 14 14 ILE CA C 14 55.381 55.381 59.147 -3.766 18118 8955 1 19 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.580 -3.262 18118 8956 1 19 . 1 1 14 14 ILE H H 14 8.316 8.316 8.288 0.028 18118 8957 1 19 . 1 1 15 15 ARG N N 15 122.555 122.555 121.634 0.921 18118 8958 1 19 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.332 0.002 18118 8959 1 19 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.510 -3.217 18118 8960 1 19 . 1 1 15 15 ARG CB C 15 31.850 31.850 33.816 -1.966 18118 8961 1 19 . 1 1 15 15 ARG H H 15 9.231 9.231 9.083 0.148 18118 8962 1 19 . 1 1 16 16 ALA N N 16 127.755 127.755 130.115 -2.360 18118 8963 1 19 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.069 0.627 18118 8964 1 19 . 1 1 16 16 ALA CA C 16 46.775 46.775 51.456 -4.681 18118 8965 1 19 . 1 1 16 16 ALA CB C 16 18.337 18.337 20.589 -2.252 18118 8966 1 19 . 1 1 16 16 ALA H H 16 9.005 9.005 8.551 0.454 18118 8967 1 19 . 1 1 17 17 GLN N N 17 121.076 121.076 120.272 0.804 18118 8968 1 19 . 1 1 17 17 GLN HA H 17 5.135 5.135 5.218 -0.083 18118 8969 1 19 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.257 -2.425 18118 8970 1 19 . 1 1 17 17 GLN CB C 17 30.738 30.738 33.374 -2.636 18118 8971 1 19 . 1 1 17 17 GLN H H 17 9.557 9.557 8.745 0.812 18118 8972 1 19 . 1 1 18 18 GLY N N 18 110.950 110.950 111.723 -0.773 18118 8973 1 19 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.199 -2.377 18118 8974 1 19 . 1 1 18 18 GLY H H 18 8.294 8.294 8.927 -0.633 18118 8975 1 19 . 1 1 19 19 LEU N N 19 118.809 118.809 122.974 -4.165 18118 8976 1 19 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.680 -0.648 18118 8977 1 19 . 1 1 19 19 LEU CA C 19 50.705 50.705 51.672 -0.966 18118 8978 1 19 . 1 1 19 19 LEU CB C 19 37.568 37.568 43.349 -5.781 18118 8979 1 19 . 1 1 19 19 LEU H H 19 8.292 8.292 7.760 0.532 18118 8980 1 19 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.540 -0.248 18118 8981 1 19 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.154 -2.053 18118 8982 1 19 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.724 -3.525 18118 8983 1 19 . 1 1 21 21 TRP N N 21 124.383 124.383 121.897 2.486 18118 8984 1 19 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.422 0.268 18118 8985 1 19 . 1 1 21 21 TRP CA C 21 56.237 56.237 60.315 -4.078 18118 8986 1 19 . 1 1 21 21 TRP CB C 21 25.965 25.965 28.925 -2.960 18118 8987 1 19 . 1 1 21 21 TRP H H 21 8.527 8.527 8.619 -0.092 18118 8988 1 19 . 1 1 22 22 SER N N 22 109.532 109.532 115.350 -5.818 18118 8989 1 19 . 1 1 22 22 SER HA H 22 4.099 4.099 4.717 -0.618 18118 8990 1 19 . 1 1 22 22 SER CA C 22 54.162 54.162 57.761 -3.599 18118 8991 1 19 . 1 1 22 22 SER CB C 22 60.334 60.334 62.359 -2.025 18118 8992 1 19 . 1 1 22 22 SER H H 22 7.436 7.436 8.477 -1.041 18118 8993 1 19 . 1 1 23 23 CYS N N 23 119.744 119.744 121.257 -1.513 18118 8994 1 19 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.181 0.285 18118 8995 1 19 . 1 1 23 23 CYS CA C 23 55.975 55.975 59.122 -3.147 18118 8996 1 19 . 1 1 23 23 CYS CB C 23 25.489 25.489 27.728 -2.239 18118 8997 1 19 . 1 1 23 23 CYS H H 23 7.221 7.221 7.502 -0.281 18118 8998 1 19 . 1 1 24 24 THR N N 24 115.371 115.371 118.697 -3.326 18118 8999 1 19 . 1 1 24 24 THR HA H 24 4.697 4.697 4.210 0.487 18118 9000 1 19 . 1 1 24 24 THR CA C 24 57.172 57.172 61.020 -3.848 18118 9001 1 19 . 1 1 24 24 THR CB C 24 56.222 56.222 70.769 -14.547 18118 9002 1 19 . 1 1 24 24 THR H H 24 9.082 9.082 8.124 0.958 18118 9003 1 19 . 1 1 25 25 MET N N 25 118.539 118.539 121.712 -3.173 18118 9004 1 19 . 1 1 25 25 MET HA H 25 4.161 4.161 4.008 0.153 18118 9005 1 19 . 1 1 25 25 MET CA C 25 57.241 57.241 58.627 -1.386 18118 9006 1 19 . 1 1 25 25 MET CB C 25 29.452 29.452 32.393 -2.941 18118 9007 1 19 . 1 1 25 25 MET H H 25 8.794 8.794 8.684 0.110 18118 9008 1 19 . 1 1 26 26 GLU N N 26 118.967 118.967 119.049 -0.082 18118 9009 1 19 . 1 1 26 26 GLU HA H 26 3.802 3.802 3.937 -0.135 18118 9010 1 19 . 1 1 26 26 GLU CA C 26 57.247 57.247 59.562 -2.315 18118 9011 1 19 . 1 1 26 26 GLU CB C 26 26.663 26.663 29.047 -2.384 18118 9012 1 19 . 1 1 26 26 GLU H H 26 8.462 8.462 8.446 0.016 18118 9013 1 19 . 1 1 27 27 ASP N N 27 118.711 118.711 119.369 -0.658 18118 9014 1 19 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.401 -0.102 18118 9015 1 19 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.556 -2.485 18118 9016 1 19 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.786 -2.131 18118 9017 1 19 . 1 1 27 27 ASP H H 27 7.812 7.812 7.832 -0.020 18118 9018 1 19 . 1 1 28 28 VAL N N 28 120.825 120.825 119.681 1.144 18118 9019 1 19 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.832 -0.388 18118 9020 1 19 . 1 1 28 28 VAL CA C 28 64.841 64.841 66.076 -1.235 18118 9021 1 19 . 1 1 28 28 VAL CB C 28 29.052 29.052 31.975 -2.923 18118 9022 1 19 . 1 1 28 28 VAL H H 28 7.528 7.528 7.503 0.025 18118 9023 1 19 . 1 1 29 29 LEU N N 29 120.586 120.586 120.698 -0.112 18118 9024 1 19 . 1 1 29 29 LEU HA H 29 3.778 3.778 4.002 -0.224 18118 9025 1 19 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.387 -2.405 18118 9026 1 19 . 1 1 29 29 LEU CB C 29 38.954 38.954 40.966 -2.012 18118 9027 1 19 . 1 1 29 29 LEU H H 29 8.399 8.399 8.320 0.079 18118 9028 1 19 . 1 1 30 30 ASN N N 30 114.059 114.059 116.904 -2.845 18118 9029 1 19 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.460 -0.062 18118 9030 1 19 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.356 -3.876 18118 9031 1 19 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.581 -2.450 18118 9032 1 19 . 1 1 30 30 ASN H H 30 8.156 8.156 8.298 -0.142 18118 9033 1 19 . 1 1 31 31 PHE N N 31 123.816 123.816 122.798 1.018 18118 9034 1 19 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.028 0.099 18118 9035 1 19 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.554 -1.735 18118 9036 1 19 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.008 -1.832 18118 9037 1 19 . 1 1 31 31 PHE H H 31 8.033 8.033 7.857 0.176 18118 9038 1 19 . 1 1 32 32 PHE N N 32 115.681 115.681 114.027 1.654 18118 9039 1 19 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.357 0.296 18118 9040 1 19 . 1 1 32 32 PHE CA C 32 54.039 54.039 56.853 -2.814 18118 9041 1 19 . 1 1 32 32 PHE CB C 32 35.047 35.047 37.281 -2.234 18118 9042 1 19 . 1 1 32 32 PHE H H 32 7.622 7.622 8.592 -0.970 18118 9043 1 19 . 1 1 33 33 SER N N 33 113.797 113.797 116.879 -3.082 18118 9044 1 19 . 1 1 33 33 SER HA H 33 4.111 4.111 4.256 -0.145 18118 9045 1 19 . 1 1 33 33 SER CA C 33 59.041 59.041 60.837 -1.796 18118 9046 1 19 . 1 1 33 33 SER CB C 33 60.339 60.339 63.231 -2.892 18118 9047 1 19 . 1 1 33 33 SER H H 33 6.834 6.834 7.536 -0.702 18118 9048 1 19 . 1 1 34 34 ASP N N 34 119.155 119.155 119.674 -0.519 18118 9049 1 19 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.826 -0.245 18118 9050 1 19 . 1 1 34 34 ASP CA C 34 51.606 51.606 53.776 -2.170 18118 9051 1 19 . 1 1 34 34 ASP CB C 34 37.727 37.727 41.852 -4.125 18118 9052 1 19 . 1 1 34 34 ASP H H 34 8.717 8.717 8.344 0.373 18118 9053 1 19 . 1 1 35 35 CYS N N 35 117.269 117.269 116.927 0.342 18118 9054 1 19 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.859 -0.351 18118 9055 1 19 . 1 1 35 35 CYS CA C 35 54.961 54.961 56.820 -1.859 18118 9056 1 19 . 1 1 35 35 CYS CB C 35 27.986 27.986 30.148 -2.162 18118 9057 1 19 . 1 1 35 35 CYS H H 35 8.009 8.009 8.025 -0.016 18118 9058 1 19 . 1 1 36 36 ARG N N 36 123.980 123.980 120.695 3.285 18118 9059 1 19 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.605 -0.316 18118 9060 1 19 . 1 1 36 36 ARG CA C 36 52.728 52.728 55.132 -2.404 18118 9061 1 19 . 1 1 36 36 ARG CB C 36 26.279 26.279 31.280 -5.001 18118 9062 1 19 . 1 1 36 36 ARG H H 36 8.666 8.666 8.458 0.208 18118 9063 1 19 . 1 1 37 37 ILE N N 37 128.014 128.014 124.431 3.583 18118 9064 1 19 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.138 0.073 18118 9065 1 19 . 1 1 37 37 ILE CA C 37 58.579 58.579 60.605 -2.026 18118 9066 1 19 . 1 1 37 37 ILE CB C 37 36.026 36.026 39.671 -3.645 18118 9067 1 19 . 1 1 37 37 ILE H H 37 8.084 8.084 8.592 -0.508 18118 9068 1 19 . 1 1 38 38 ARG N N 38 133.264 133.264 127.939 5.325 18118 9069 1 19 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.074 -0.229 18118 9070 1 19 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.603 -2.836 18118 9071 1 19 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.464 -2.635 18118 9072 1 19 . 1 1 38 38 ARG H H 38 8.662 8.662 8.093 0.569 18118 9073 1 19 . 1 1 39 39 ASN N N 39 117.723 117.723 120.689 -2.966 18118 9074 1 19 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.327 -0.145 18118 9075 1 19 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.206 -2.504 18118 9076 1 19 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.372 -2.526 18118 9077 1 19 . 1 1 39 39 ASN H H 39 8.992 8.992 9.239 -0.247 18118 9078 1 19 . 1 1 40 40 GLY N N 40 108.314 108.314 107.424 0.890 18118 9079 1 19 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.794 -2.511 18118 9080 1 19 . 1 1 40 40 GLY H H 40 7.949 7.949 8.446 -0.497 18118 9081 1 19 . 1 1 41 41 GLU N N 41 124.398 124.398 119.448 4.950 18118 9082 1 19 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.442 -0.630 18118 9083 1 19 . 1 1 41 41 GLU CA C 41 56.741 56.741 56.375 0.366 18118 9084 1 19 . 1 1 41 41 GLU CB C 41 26.718 26.718 31.521 -4.803 18118 9085 1 19 . 1 1 41 41 GLU H H 41 9.235 9.235 8.191 1.044 18118 9086 1 19 . 1 1 42 42 ASN N N 42 113.155 113.155 119.639 -6.484 18118 9087 1 19 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.722 -0.215 18118 9088 1 19 . 1 1 42 42 ASN CA C 42 51.901 51.901 53.945 -2.044 18118 9089 1 19 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.467 -2.402 18118 9090 1 19 . 1 1 42 42 ASN H H 42 7.523 7.523 7.965 -0.442 18118 9091 1 19 . 1 1 43 43 GLY N N 43 109.898 109.898 106.476 3.422 18118 9092 1 19 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.676 -2.115 18118 9093 1 19 . 1 1 43 43 GLY H H 43 8.131 8.131 7.957 0.174 18118 9094 1 19 . 1 1 44 44 ILE N N 44 119.116 119.116 123.828 -4.712 18118 9095 1 19 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.048 -0.271 18118 9096 1 19 . 1 1 44 44 ILE CA C 44 58.280 58.280 61.777 -3.497 18118 9097 1 19 . 1 1 44 44 ILE CB C 44 36.145 36.145 36.684 -0.539 18118 9098 1 19 . 1 1 44 44 ILE H H 44 6.715 6.715 7.730 -1.015 18118 9099 1 19 . 1 1 45 45 HIS N N 45 124.064 124.064 129.073 -5.009 18118 9100 1 19 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.639 0.244 18118 9101 1 19 . 1 1 45 45 HIS CA C 45 49.681 49.681 54.750 -5.069 18118 9102 1 19 . 1 1 45 45 HIS CB C 45 25.934 25.934 28.509 -2.575 18118 9103 1 19 . 1 1 45 45 HIS H H 45 8.493 8.493 9.136 -0.643 18118 9104 1 19 . 1 1 46 46 PHE N N 46 123.886 123.886 123.777 0.109 18118 9105 1 19 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.704 -0.141 18118 9106 1 19 . 1 1 46 46 PHE CA C 46 57.122 57.122 57.425 -0.303 18118 9107 1 19 . 1 1 46 46 PHE CB C 46 36.299 36.299 40.741 -4.442 18118 9108 1 19 . 1 1 46 46 PHE H H 46 9.014 9.014 8.158 0.856 18118 9109 1 19 . 1 1 47 47 LEU N N 47 124.343 124.343 123.801 0.542 18118 9110 1 19 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.650 -0.146 18118 9111 1 19 . 1 1 47 47 LEU CA C 47 51.885 51.885 53.323 -1.438 18118 9112 1 19 . 1 1 47 47 LEU CB C 47 38.896 38.896 44.438 -5.542 18118 9113 1 19 . 1 1 47 47 LEU H H 47 8.066 8.066 8.082 -0.016 18118 9114 1 19 . 1 1 48 48 LEU N N 48 122.809 122.809 119.396 3.413 18118 9115 1 19 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.320 0.505 18118 9116 1 19 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.772 -2.842 18118 9117 1 19 . 1 1 48 48 LEU CB C 48 41.655 41.655 45.062 -3.407 18118 9118 1 19 . 1 1 48 48 LEU H H 48 8.754 8.754 7.986 0.768 18118 9119 1 19 . 1 1 49 49 ASN N N 49 119.420 119.420 117.935 1.485 18118 9120 1 19 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.805 -0.014 18118 9121 1 19 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.557 -3.962 18118 9122 1 19 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.999 -3.264 18118 9123 1 19 . 1 1 49 49 ASN H H 49 8.757 8.757 8.334 0.423 18118 9124 1 19 . 1 1 50 50 ARG N N 50 119.367 119.367 118.111 1.256 18118 9125 1 19 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.212 -0.186 18118 9126 1 19 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.011 -2.093 18118 9127 1 19 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.605 -2.412 18118 9128 1 19 . 1 1 50 50 ARG H H 50 8.618 8.618 8.786 -0.168 18118 9129 1 19 . 1 1 51 51 ASP N N 51 116.650 116.650 117.610 -0.960 18118 9130 1 19 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.731 -0.146 18118 9131 1 19 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.986 -2.707 18118 9132 1 19 . 1 1 51 51 ASP CB C 51 38.544 38.544 41.670 -3.126 18118 9133 1 19 . 1 1 51 51 ASP H H 51 7.577 7.577 7.973 -0.396 18118 9134 1 19 . 1 1 52 52 GLY N N 52 107.719 107.719 110.315 -2.596 18118 9135 1 19 . 1 1 52 52 GLY CA C 52 43.341 43.341 46.234 -2.893 18118 9136 1 19 . 1 1 52 52 GLY H H 52 8.171 8.171 8.440 -0.269 18118 9137 1 19 . 1 1 53 53 LYS N N 53 119.174 119.174 116.421 2.753 18118 9138 1 19 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.632 -0.213 18118 9139 1 19 . 1 1 53 53 LYS CA C 53 51.788 51.788 54.694 -2.905 18118 9140 1 19 . 1 1 53 53 LYS CB C 53 30.976 30.976 32.975 -1.999 18118 9141 1 19 . 1 1 53 53 LYS H H 53 7.750 7.750 8.827 -1.077 18118 9142 1 19 . 1 1 54 54 ARG N N 54 121.126 121.126 121.025 0.101 18118 9143 1 19 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.180 -0.011 18118 9144 1 19 . 1 1 54 54 ARG CA C 54 54.949 54.949 57.606 -2.658 18118 9145 1 19 . 1 1 54 54 ARG CB C 54 28.054 28.054 30.760 -2.706 18118 9146 1 19 . 1 1 54 54 ARG H H 54 8.570 8.570 8.460 0.110 18118 9147 1 19 . 1 1 55 55 ARG N N 55 121.856 121.856 117.218 4.638 18118 9148 1 19 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.458 -0.417 18118 9149 1 19 . 1 1 55 55 ARG CA C 55 53.172 53.172 54.464 -1.292 18118 9150 1 19 . 1 1 55 55 ARG CB C 55 29.692 29.692 31.402 -1.710 18118 9151 1 19 . 1 1 55 55 ARG H H 55 8.352 8.352 8.239 0.113 18118 9152 1 19 . 1 1 56 56 GLY N N 56 108.554 108.554 106.506 2.048 18118 9153 1 19 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.784 -1.323 18118 9154 1 19 . 1 1 56 56 GLY H H 56 8.683 8.683 8.621 0.062 18118 9155 1 19 . 1 1 57 57 ASP N N 57 117.136 117.136 117.198 -0.062 18118 9156 1 19 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.699 0.058 18118 9157 1 19 . 1 1 57 57 ASP CA C 57 49.244 49.244 53.104 -3.860 18118 9158 1 19 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.322 -3.057 18118 9159 1 19 . 1 1 57 57 ASP H H 57 8.018 8.018 7.693 0.325 18118 9160 1 19 . 1 1 58 58 ALA N N 58 122.425 122.425 121.946 0.479 18118 9161 1 19 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.807 0.298 18118 9162 1 19 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.110 -2.752 18118 9163 1 19 . 1 1 58 58 ALA CB C 58 19.444 19.444 23.325 -3.881 18118 9164 1 19 . 1 1 58 58 ALA H H 58 9.137 9.137 8.301 0.836 18118 9165 1 19 . 1 1 59 59 LEU N N 59 121.454 121.454 120.667 0.787 18118 9166 1 19 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.113 0.134 18118 9167 1 19 . 1 1 59 59 LEU CA C 59 50.358 50.358 54.141 -3.783 18118 9168 1 19 . 1 1 59 59 LEU CB C 59 42.166 42.166 46.221 -4.055 18118 9169 1 19 . 1 1 59 59 LEU H H 59 8.604 8.604 8.267 0.338 18118 9170 1 19 . 1 1 60 60 ILE N N 60 123.974 123.974 124.763 -0.789 18118 9171 1 19 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.415 0.423 18118 9172 1 19 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.896 -1.512 18118 9173 1 19 . 1 1 60 60 ILE CB C 60 38.147 38.147 37.500 0.647 18118 9174 1 19 . 1 1 60 60 ILE H H 60 9.081 9.081 9.200 -0.119 18118 9175 1 19 . 1 1 61 61 GLU N N 61 126.177 126.177 128.910 -2.733 18118 9176 1 19 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.395 0.150 18118 9177 1 19 . 1 1 61 61 GLU CA C 61 52.464 52.464 56.125 -3.661 18118 9178 1 19 . 1 1 61 61 GLU CB C 61 29.517 29.517 28.977 0.540 18118 9179 1 19 . 1 1 61 61 GLU H H 61 8.832 8.832 8.563 0.269 18118 9180 1 19 . 1 1 62 62 MET N N 62 121.191 121.191 125.183 -3.992 18118 9181 1 19 . 1 1 62 62 MET HA H 62 5.131 5.131 4.250 0.881 18118 9182 1 19 . 1 1 62 62 MET CA C 62 49.938 49.938 56.180 -6.242 18118 9183 1 19 . 1 1 62 62 MET CB C 62 30.874 30.874 33.661 -2.787 18118 9184 1 19 . 1 1 62 62 MET H H 62 8.854 8.854 8.091 0.763 18118 9185 1 19 . 1 1 63 63 GLU N N 63 117.598 117.598 121.485 -3.887 18118 9186 1 19 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.162 -0.091 18118 9187 1 19 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.731 -1.576 18118 9188 1 19 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.540 -2.459 18118 9189 1 19 . 1 1 63 63 GLU H H 63 8.092 8.092 8.487 -0.395 18118 9190 1 19 . 1 1 64 64 SER N N 64 109.627 109.627 111.319 -1.692 18118 9191 1 19 . 1 1 64 64 SER HA H 64 4.113 4.113 3.976 0.137 18118 9192 1 19 . 1 1 64 64 SER CA C 64 54.607 54.607 56.682 -2.075 18118 9193 1 19 . 1 1 64 64 SER CB C 64 65.273 65.273 66.148 -0.875 18118 9194 1 19 . 1 1 64 64 SER H H 64 7.710 7.710 7.896 -0.186 18118 9195 1 19 . 1 1 65 65 GLU N N 65 121.394 121.394 122.965 -1.571 18118 9196 1 19 . 1 1 65 65 GLU HA H 65 3.485 3.485 4.047 -0.562 18118 9197 1 19 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.568 -4.468 18118 9198 1 19 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.824 -3.542 18118 9199 1 19 . 1 1 65 65 GLU H H 65 8.364 8.364 8.809 -0.445 18118 9200 1 19 . 1 1 66 66 GLN N N 66 118.987 118.987 117.602 1.385 18118 9201 1 19 . 1 1 66 66 GLN HA H 66 3.902 3.902 3.999 -0.097 18118 9202 1 19 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.142 -2.704 18118 9203 1 19 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.070 -2.676 18118 9204 1 19 . 1 1 66 66 GLN H H 66 7.979 7.979 8.548 -0.569 18118 9205 1 19 . 1 1 67 67 ASP N N 67 118.539 118.539 118.041 0.498 18118 9206 1 19 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.556 -0.222 18118 9207 1 19 . 1 1 67 67 ASP CA C 67 55.727 55.727 57.139 -1.412 18118 9208 1 19 . 1 1 67 67 ASP CB C 67 41.607 41.607 41.201 0.406 18118 9209 1 19 . 1 1 67 67 ASP H H 67 7.325 7.325 7.828 -0.503 18118 9210 1 19 . 1 1 68 68 VAL N N 68 119.502 119.502 120.972 -1.470 18118 9211 1 19 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.703 -0.528 18118 9212 1 19 . 1 1 68 68 VAL CA C 68 64.830 64.830 65.939 -1.109 18118 9213 1 19 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.374 -2.540 18118 9214 1 19 . 1 1 68 68 VAL H H 68 7.165 7.165 7.222 -0.057 18118 9215 1 19 . 1 1 69 69 GLN N N 69 115.899 115.899 119.208 -3.309 18118 9216 1 19 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.954 -0.220 18118 9217 1 19 . 1 1 69 69 GLN CA C 69 56.404 56.404 59.051 -2.647 18118 9218 1 19 . 1 1 69 69 GLN CB C 69 25.212 25.212 27.732 -2.519 18118 9219 1 19 . 1 1 69 69 GLN H H 69 7.718 7.718 8.654 -0.936 18118 9220 1 19 . 1 1 70 70 LYS N N 70 118.403 118.403 118.531 -0.128 18118 9221 1 19 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.046 -0.118 18118 9222 1 19 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.913 -2.975 18118 9223 1 19 . 1 1 70 70 LYS CB C 70 29.946 29.946 31.839 -1.893 18118 9224 1 19 . 1 1 70 70 LYS H H 70 7.767 7.767 7.679 0.088 18118 9225 1 19 . 1 1 71 71 ALA N N 71 124.650 124.650 119.181 5.469 18118 9226 1 19 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.361 -0.334 18118 9227 1 19 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.376 -1.633 18118 9228 1 19 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.992 -2.878 18118 9229 1 19 . 1 1 71 71 ALA H H 71 8.160 8.160 7.283 0.877 18118 9230 1 19 . 1 1 72 72 LEU N N 72 116.557 116.557 119.970 -3.413 18118 9231 1 19 . 1 1 72 72 LEU HA H 72 3.794 3.794 4.023 -0.229 18118 9232 1 19 . 1 1 72 72 LEU CA C 72 54.664 54.664 57.144 -2.480 18118 9233 1 19 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.461 -2.628 18118 9234 1 19 . 1 1 72 72 LEU H H 72 8.055 8.055 8.433 -0.378 18118 9235 1 19 . 1 1 73 73 GLU N N 73 117.807 117.807 119.034 -1.227 18118 9236 1 19 . 1 1 73 73 GLU HA H 73 4.090 4.090 4.020 0.070 18118 9237 1 19 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.509 -4.047 18118 9238 1 19 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.258 -2.452 18118 9239 1 19 . 1 1 73 73 GLU H H 73 7.369 7.369 8.196 -0.827 18118 9240 1 19 . 1 1 74 74 LYS N N 74 116.715 116.715 116.777 -0.062 18118 9241 1 19 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.510 -0.318 18118 9242 1 19 . 1 1 74 74 LYS CA C 74 51.741 51.741 55.531 -3.790 18118 9243 1 19 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.736 -3.272 18118 9244 1 19 . 1 1 74 74 LYS H H 74 7.805 7.805 7.723 0.082 18118 9245 1 19 . 1 1 75 75 HIS N N 75 117.177 117.177 117.138 0.039 18118 9246 1 19 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.363 -0.035 18118 9247 1 19 . 1 1 75 75 HIS CA C 75 55.811 55.811 58.968 -3.157 18118 9248 1 19 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.500 0.083 18118 9249 1 19 . 1 1 75 75 HIS H H 75 7.184 7.184 8.164 -0.980 18118 9250 1 19 . 1 1 76 76 ARG N N 76 121.753 121.753 116.253 5.500 18118 9251 1 19 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.235 0.071 18118 9252 1 19 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.301 0.418 18118 9253 1 19 . 1 1 76 76 ARG CB C 76 33.288 33.288 30.226 3.062 18118 9254 1 19 . 1 1 76 76 ARG H H 76 9.042 9.042 7.863 1.179 18118 9255 1 19 . 1 1 77 77 MET N N 77 117.206 117.206 121.990 -4.784 18118 9256 1 19 . 1 1 77 77 MET HA H 77 4.598 4.598 4.588 0.010 18118 9257 1 19 . 1 1 77 77 MET CA C 77 52.590 52.590 54.663 -2.073 18118 9258 1 19 . 1 1 77 77 MET CB C 77 31.234 31.234 34.121 -2.887 18118 9259 1 19 . 1 1 77 77 MET H H 77 7.835 7.835 8.145 -0.310 18118 9260 1 19 . 1 1 78 78 TYR N N 78 117.960 117.960 114.168 3.792 18118 9261 1 19 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.641 -0.039 18118 9262 1 19 . 1 1 78 78 TYR CA C 78 56.028 56.028 55.528 0.500 18118 9263 1 19 . 1 1 78 78 TYR CB C 78 37.334 37.334 40.102 -2.768 18118 9264 1 19 . 1 1 78 78 TYR H H 78 8.359 8.359 8.133 0.226 18118 9265 1 19 . 1 1 79 79 MET N N 79 124.673 124.673 119.332 5.341 18118 9266 1 19 . 1 1 79 79 MET HA H 79 4.325 4.325 4.341 -0.016 18118 9267 1 19 . 1 1 79 79 MET CA C 79 52.338 52.338 53.769 -1.431 18118 9268 1 19 . 1 1 79 79 MET CB C 79 31.907 31.907 34.394 -2.487 18118 9269 1 19 . 1 1 79 79 MET H H 79 8.642 8.642 7.762 0.880 18118 9270 1 19 . 1 1 80 80 GLY N N 80 115.191 115.191 109.094 6.097 18118 9271 1 19 . 1 1 80 80 GLY CA C 80 44.426 44.426 47.221 -2.795 18118 9272 1 19 . 1 1 80 80 GLY H H 80 8.709 8.709 8.528 0.181 18118 9273 1 19 . 1 1 81 81 GLN N N 81 121.981 121.981 120.980 1.001 18118 9274 1 19 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.713 -0.566 18118 9275 1 19 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.587 -2.030 18118 9276 1 19 . 1 1 81 81 GLN CB C 81 26.736 26.736 30.506 -3.770 18118 9277 1 19 . 1 1 81 81 GLN H H 81 8.598 8.598 8.495 0.103 18118 9278 1 19 . 1 1 82 82 ARG N N 82 118.652 118.652 120.516 -1.864 18118 9279 1 19 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.753 -0.253 18118 9280 1 19 . 1 1 82 82 ARG CA C 82 51.593 51.593 55.558 -3.965 18118 9281 1 19 . 1 1 82 82 ARG CB C 82 29.507 29.507 33.641 -4.134 18118 9282 1 19 . 1 1 82 82 ARG H H 82 7.660 7.660 7.885 -0.225 18118 9283 1 19 . 1 1 84 84 VAL N N 84 125.216 125.216 123.282 1.934 18118 9284 1 19 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.668 -0.350 18118 9285 1 19 . 1 1 84 84 VAL CA C 84 58.647 58.647 60.613 -1.966 18118 9286 1 19 . 1 1 84 84 VAL CB C 84 31.015 31.015 34.102 -3.087 18118 9287 1 19 . 1 1 84 84 VAL H H 84 8.222 8.222 8.441 -0.219 18118 9288 1 19 . 1 1 86 86 VAL N N 86 120.000 120.000 126.230 -6.230 18118 9289 1 19 . 1 1 86 86 VAL HA H 86 4.807 4.807 4.416 0.391 18118 9290 1 19 . 1 1 86 86 VAL CA C 86 58.928 58.928 62.224 -3.296 18118 9291 1 19 . 1 1 86 86 VAL CB C 86 33.201 33.201 32.490 0.711 18118 9292 1 19 . 1 1 87 87 TYR N N 87 120.377 120.377 126.201 -5.824 18118 9293 1 19 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.846 -0.222 18118 9294 1 19 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.145 -2.701 18118 9295 1 19 . 1 1 87 87 TYR CB C 87 40.105 40.105 42.846 -2.741 18118 9296 1 19 . 1 1 87 87 TYR H H 87 8.731 8.731 8.763 -0.032 18118 9297 1 19 . 1 1 88 88 GLU N N 88 122.304 122.304 120.922 1.382 18118 9298 1 19 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.452 -0.102 18118 9299 1 19 . 1 1 88 88 GLU CA C 88 53.640 53.640 55.947 -2.307 18118 9300 1 19 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.911 -2.481 18118 9301 1 19 . 1 1 88 88 GLU H H 88 8.873 8.873 8.581 0.292 18118 9302 1 19 . 1 1 89 89 ILE N N 89 125.082 125.082 119.508 5.574 18118 9303 1 19 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.273 -0.015 18118 9304 1 19 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.269 -3.438 18118 9305 1 19 . 1 1 89 89 ILE CB C 89 34.985 34.985 38.699 -3.714 18118 9306 1 19 . 1 1 89 89 ILE H H 89 7.983 7.983 7.788 0.195 18118 9307 1 19 . 1 1 90 90 ASN N N 90 126.142 126.142 122.408 3.734 18118 9308 1 19 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.751 -0.160 18118 9309 1 19 . 1 1 90 90 ASN CA C 90 50.615 50.615 52.495 -1.880 18118 9310 1 19 . 1 1 90 90 ASN CB C 90 36.638 36.638 40.793 -4.155 18118 9311 1 19 . 1 1 90 90 ASN H H 90 8.890 8.890 8.446 0.444 18118 9312 1 19 . 1 1 91 91 ASN N N 91 121.333 121.333 120.780 0.553 18118 9313 1 19 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.379 -0.083 18118 9314 1 19 . 1 1 91 91 ASN CA C 91 53.950 53.950 55.405 -1.455 18118 9315 1 19 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.229 -1.924 18118 9316 1 19 . 1 1 91 91 ASN H H 91 8.867 8.867 8.937 -0.070 18118 9317 1 19 . 1 1 92 92 GLU N N 92 117.848 117.848 119.220 -1.372 18118 9318 1 19 . 1 1 92 92 GLU HA H 92 4.092 4.092 3.969 0.123 18118 9319 1 19 . 1 1 92 92 GLU CA C 92 55.551 55.551 59.339 -3.788 18118 9320 1 19 . 1 1 92 92 GLU CB C 92 26.767 26.767 28.976 -2.209 18118 9321 1 19 . 1 1 92 92 GLU H H 92 8.869 8.869 8.644 0.225 18118 9322 1 19 . 1 1 93 93 ASP N N 93 118.819 118.819 118.607 0.212 18118 9323 1 19 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.566 0.086 18118 9324 1 19 . 1 1 93 93 ASP CA C 93 52.137 52.137 57.045 -4.909 18118 9325 1 19 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.163 -1.641 18118 9326 1 19 . 1 1 93 93 ASP H H 93 7.965 7.965 8.087 -0.122 18118 9327 1 19 . 1 1 94 94 VAL N N 94 120.480 120.480 119.899 0.581 18118 9328 1 19 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.731 -0.457 18118 9329 1 19 . 1 1 94 94 VAL CA C 94 64.179 64.179 66.171 -1.992 18118 9330 1 19 . 1 1 94 94 VAL CB C 94 29.477 29.477 32.210 -2.733 18118 9331 1 19 . 1 1 94 94 VAL H H 94 7.406 7.406 7.735 -0.329 18118 9332 1 19 . 1 1 95 95 ASP N N 95 119.806 119.806 120.937 -1.131 18118 9333 1 19 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.301 -0.146 18118 9334 1 19 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.484 -2.268 18118 9335 1 19 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.525 -1.898 18118 9336 1 19 . 1 1 95 95 ASP H H 95 8.342 8.342 7.739 0.603 18118 9337 1 19 . 1 1 96 96 ALA N N 96 119.946 119.946 120.862 -0.916 18118 9338 1 19 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.271 -0.345 18118 9339 1 19 . 1 1 96 96 ALA CA C 96 52.140 52.140 53.717 -1.577 18118 9340 1 19 . 1 1 96 96 ALA CB C 96 15.676 15.676 19.294 -3.618 18118 9341 1 19 . 1 1 96 96 ALA H H 96 8.162 8.162 8.035 0.127 18118 9342 1 19 . 1 1 97 97 LEU N N 97 119.391 119.391 120.906 -1.515 18118 9343 1 19 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.820 0.165 18118 9344 1 19 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.790 -2.959 18118 9345 1 19 . 1 1 97 97 LEU CB C 97 39.438 39.438 42.029 -2.591 18118 9346 1 19 . 1 1 97 97 LEU H H 97 7.679 7.679 7.967 -0.288 18118 9347 1 19 . 1 1 98 98 MET N N 98 118.055 118.055 115.991 2.064 18118 9348 1 19 . 1 1 98 98 MET HA H 98 4.128 4.128 4.196 -0.068 18118 9349 1 19 . 1 1 98 98 MET CA C 98 54.606 54.606 57.904 -3.298 18118 9350 1 19 . 1 1 98 98 MET CB C 98 27.902 27.902 31.796 -3.894 18118 9351 1 19 . 1 1 98 98 MET H H 98 8.504 8.504 8.240 0.264 18118 9352 1 19 . 1 1 99 99 LYS N N 99 119.351 119.351 117.021 2.330 18118 9353 1 19 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.436 -0.465 18118 9354 1 19 . 1 1 99 99 LYS CA C 99 56.301 56.301 56.512 -0.211 18118 9355 1 19 . 1 1 99 99 LYS CB C 99 29.692 29.692 32.773 -3.082 18118 9356 1 19 . 1 1 99 99 LYS H H 99 7.986 7.986 7.589 0.397 18118 9357 1 19 . 1 1 100 100 SER N N 100 114.964 114.964 115.174 -0.210 18118 9358 1 19 . 1 1 100 100 SER HA H 100 4.268 4.268 4.380 -0.112 18118 9359 1 19 . 1 1 100 100 SER CA C 100 57.764 57.764 60.204 -2.440 18118 9360 1 19 . 1 1 100 100 SER CB C 100 60.753 60.753 63.542 -2.789 18118 9361 1 19 . 1 1 100 100 SER H H 100 7.711 7.711 7.997 -0.286 18118 9362 1 19 . 1 1 101 101 LEU N N 101 120.679 120.679 119.823 0.856 18118 9363 1 19 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.684 -0.524 18118 9364 1 19 . 1 1 101 101 LEU CA C 101 52.893 52.893 54.135 -1.242 18118 9365 1 19 . 1 1 101 101 LEU CB C 101 39.541 39.541 41.304 -1.763 18118 9366 1 19 . 1 1 101 101 LEU H H 101 7.405 7.405 7.346 0.059 18118 9367 1 19 . 1 1 102 102 GLN N N 102 117.646 117.646 118.497 -0.851 18118 9368 1 19 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.499 -0.304 18118 9369 1 19 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.819 -2.459 18118 9370 1 19 . 1 1 102 102 GLN CB C 102 26.480 26.480 28.850 -2.370 18118 9371 1 19 . 1 1 102 102 GLN H H 102 7.588 7.588 8.421 -0.833 18118 9372 1 19 . 1 1 103 103 VAL N N 103 120.269 120.269 121.797 -1.528 18118 9373 1 19 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.132 -0.117 18118 9374 1 19 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.151 -2.396 18118 9375 1 19 . 1 1 103 103 VAL CB C 103 30.579 30.579 29.330 1.249 18118 9376 1 19 . 1 1 103 103 VAL H H 103 7.839 7.839 8.016 -0.177 18118 9377 1 19 . 1 1 104 104 LYS N N 104 125.201 125.201 124.180 1.021 18118 9378 1 19 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.621 -0.278 18118 9379 1 19 . 1 1 104 104 LYS CA C 104 53.348 53.348 56.040 -2.692 18118 9380 1 19 . 1 1 104 104 LYS CB C 104 30.634 30.634 33.568 -2.934 18118 9381 1 19 . 1 1 104 104 LYS H H 104 8.364 8.364 7.921 0.443 18118 9382 1 19 . 1 1 105 105 SER N N 105 117.664 117.664 118.739 -1.075 18118 9383 1 19 . 1 1 105 105 SER HA H 105 4.401 4.401 4.783 -0.382 18118 9384 1 19 . 1 1 105 105 SER CA C 105 55.611 55.611 57.750 -2.139 18118 9385 1 19 . 1 1 105 105 SER CB C 105 61.286 61.286 64.337 -3.051 18118 9386 1 19 . 1 1 105 105 SER H H 105 8.354 8.354 8.518 -0.164 18118 9387 1 20 . 1 1 2 2 SER N N 2 118.867 118.867 116.160 2.707 18118 9388 1 20 . 1 1 2 2 SER HA H 2 4.707 4.707 4.388 0.319 18118 9389 1 20 . 1 1 2 2 SER CA C 2 55.678 55.678 58.541 -2.863 18118 9390 1 20 . 1 1 2 2 SER CB C 2 61.009 61.009 63.755 -2.746 18118 9391 1 20 . 1 1 2 2 SER H H 2 8.195 8.195 8.144 0.051 18118 9392 1 20 . 1 1 3 3 LYS N N 3 123.188 123.188 122.672 0.516 18118 9393 1 20 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.981 -3.273 18118 9394 1 20 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.550 -2.176 18118 9395 1 20 . 1 1 3 3 LYS H H 3 8.427 8.427 8.376 0.051 18118 9396 1 20 . 1 1 4 4 LEU N N 4 123.342 123.342 122.025 1.317 18118 9397 1 20 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.553 -0.349 18118 9398 1 20 . 1 1 4 4 LEU CA C 4 52.990 52.990 55.477 -2.487 18118 9399 1 20 . 1 1 4 4 LEU CB C 4 39.667 39.667 42.644 -2.977 18118 9400 1 20 . 1 1 4 4 LEU H H 4 8.311 8.311 7.946 0.365 18118 9401 1 20 . 1 1 5 5 GLU N N 5 120.431 120.431 121.470 -1.039 18118 9402 1 20 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.516 -0.359 18118 9403 1 20 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.334 -2.104 18118 9404 1 20 . 1 1 5 5 GLU CB C 5 27.847 27.847 29.591 -1.744 18118 9405 1 20 . 1 1 5 5 GLU H H 5 8.321 8.321 8.561 -0.240 18118 9406 1 20 . 1 1 6 6 GLU N N 6 120.027 120.027 120.799 -0.772 18118 9407 1 20 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.615 -0.424 18118 9408 1 20 . 1 1 6 6 GLU CA C 6 53.842 53.842 55.622 -1.780 18118 9409 1 20 . 1 1 6 6 GLU CB C 6 27.723 27.723 30.828 -3.105 18118 9410 1 20 . 1 1 6 6 GLU H H 6 8.177 8.177 8.300 -0.123 18118 9411 1 20 . 1 1 7 7 GLU N N 7 121.663 121.663 120.755 0.908 18118 9412 1 20 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.518 -0.327 18118 9413 1 20 . 1 1 7 7 GLU CA C 7 53.679 53.679 55.974 -2.295 18118 9414 1 20 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.524 -1.976 18118 9415 1 20 . 1 1 7 7 GLU H H 7 8.228 8.228 8.591 -0.363 18118 9416 1 20 . 1 1 8 8 VAL N N 8 120.733 120.733 118.016 2.717 18118 9417 1 20 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.338 -0.252 18118 9418 1 20 . 1 1 8 8 VAL CA C 8 59.139 59.139 61.044 -1.905 18118 9419 1 20 . 1 1 8 8 VAL CB C 8 30.700 30.700 32.467 -1.767 18118 9420 1 20 . 1 1 8 8 VAL H H 8 8.102 8.102 7.711 0.391 18118 9421 1 20 . 1 1 9 9 ASP N N 9 124.190 124.190 119.986 4.204 18118 9422 1 20 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.594 -0.037 18118 9423 1 20 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.890 -3.710 18118 9424 1 20 . 1 1 9 9 ASP CB C 9 38.781 38.781 41.680 -2.899 18118 9425 1 20 . 1 1 9 9 ASP H H 9 8.313 8.313 8.440 -0.127 18118 9426 1 20 . 1 1 10 10 ASP N N 10 120.966 120.966 120.328 0.638 18118 9427 1 20 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.576 -0.197 18118 9428 1 20 . 1 1 10 10 ASP CA C 10 51.555 51.555 54.354 -2.799 18118 9429 1 20 . 1 1 10 10 ASP CB C 10 39.138 39.138 39.985 -0.847 18118 9430 1 20 . 1 1 10 10 ASP H H 10 8.106 8.106 8.589 -0.483 18118 9431 1 20 . 1 1 11 11 VAL N N 11 119.321 119.321 119.712 -0.391 18118 9432 1 20 . 1 1 11 11 VAL HA H 11 3.919 3.919 3.997 -0.078 18118 9433 1 20 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.585 -2.864 18118 9434 1 20 . 1 1 11 11 VAL CB C 11 31.300 31.300 33.482 -2.182 18118 9435 1 20 . 1 1 11 11 VAL H H 11 7.528 7.528 7.420 0.108 18118 9436 1 20 . 1 1 12 12 PHE N N 12 125.723 125.723 126.901 -1.178 18118 9437 1 20 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.684 -0.098 18118 9438 1 20 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.360 -1.596 18118 9439 1 20 . 1 1 12 12 PHE CB C 12 37.698 37.698 37.817 -0.119 18118 9440 1 20 . 1 1 12 12 PHE H H 12 8.573 8.573 8.534 0.039 18118 9441 1 20 . 1 1 13 13 LEU N N 13 123.923 123.923 120.610 3.313 18118 9442 1 20 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.367 -0.135 18118 9443 1 20 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.342 -1.981 18118 9444 1 20 . 1 1 13 13 LEU CB C 13 44.651 44.651 44.893 -0.242 18118 9445 1 20 . 1 1 13 13 LEU H H 13 8.794 8.794 7.750 1.044 18118 9446 1 20 . 1 1 14 14 ILE N N 14 114.563 114.563 115.087 -0.524 18118 9447 1 20 . 1 1 14 14 ILE HA H 14 4.891 4.891 5.086 -0.195 18118 9448 1 20 . 1 1 14 14 ILE CA C 14 55.381 55.381 58.806 -3.425 18118 9449 1 20 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.632 -3.314 18118 9450 1 20 . 1 1 14 14 ILE H H 14 8.316 8.316 8.195 0.121 18118 9451 1 20 . 1 1 15 15 ARG N N 15 122.555 122.555 120.604 1.951 18118 9452 1 20 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.430 -0.096 18118 9453 1 20 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.226 -2.933 18118 9454 1 20 . 1 1 15 15 ARG CB C 15 31.850 31.850 35.004 -3.154 18118 9455 1 20 . 1 1 15 15 ARG H H 15 9.231 9.231 8.450 0.781 18118 9456 1 20 . 1 1 16 16 ALA N N 16 127.755 127.755 126.705 1.050 18118 9457 1 20 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.553 0.143 18118 9458 1 20 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.178 -3.403 18118 9459 1 20 . 1 1 16 16 ALA CB C 16 18.337 18.337 22.351 -4.014 18118 9460 1 20 . 1 1 16 16 ALA H H 16 9.005 9.005 9.027 -0.022 18118 9461 1 20 . 1 1 17 17 GLN N N 17 121.076 121.076 123.261 -2.185 18118 9462 1 20 . 1 1 17 17 GLN HA H 17 5.135 5.135 5.117 0.018 18118 9463 1 20 . 1 1 17 17 GLN CA C 17 51.832 51.832 53.751 -1.919 18118 9464 1 20 . 1 1 17 17 GLN CB C 17 30.738 30.738 31.844 -1.106 18118 9465 1 20 . 1 1 17 17 GLN H H 17 9.557 9.557 8.705 0.852 18118 9466 1 20 . 1 1 18 18 GLY N N 18 110.950 110.950 106.437 4.513 18118 9467 1 20 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.214 -2.392 18118 9468 1 20 . 1 1 18 18 GLY H H 18 8.294 8.294 8.273 0.021 18118 9469 1 20 . 1 1 19 19 LEU N N 19 118.809 118.809 121.016 -2.207 18118 9470 1 20 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.371 -0.339 18118 9471 1 20 . 1 1 19 19 LEU CA C 19 50.705 50.705 53.035 -2.330 18118 9472 1 20 . 1 1 19 19 LEU CB C 19 37.568 37.568 41.786 -4.218 18118 9473 1 20 . 1 1 19 19 LEU H H 19 8.292 8.292 7.867 0.425 18118 9474 1 20 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.334 -0.042 18118 9475 1 20 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.192 -2.091 18118 9476 1 20 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.128 -2.929 18118 9477 1 20 . 1 1 21 21 TRP N N 21 124.383 124.383 119.694 4.689 18118 9478 1 20 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.468 0.222 18118 9479 1 20 . 1 1 21 21 TRP CA C 21 56.237 56.237 58.153 -1.916 18118 9480 1 20 . 1 1 21 21 TRP CB C 21 25.965 25.965 29.028 -3.063 18118 9481 1 20 . 1 1 21 21 TRP H H 21 8.527 8.527 8.021 0.506 18118 9482 1 20 . 1 1 22 22 SER N N 22 109.532 109.532 115.431 -5.899 18118 9483 1 20 . 1 1 22 22 SER HA H 22 4.099 4.099 4.577 -0.478 18118 9484 1 20 . 1 1 22 22 SER CA C 22 54.162 54.162 57.310 -3.148 18118 9485 1 20 . 1 1 22 22 SER CB C 22 60.334 60.334 62.133 -1.799 18118 9486 1 20 . 1 1 22 22 SER H H 22 7.436 7.436 7.515 -0.079 18118 9487 1 20 . 1 1 23 23 CYS N N 23 119.744 119.744 122.739 -2.995 18118 9488 1 20 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.070 0.396 18118 9489 1 20 . 1 1 23 23 CYS CA C 23 55.975 55.975 59.011 -3.036 18118 9490 1 20 . 1 1 23 23 CYS CB C 23 25.489 25.489 28.456 -2.967 18118 9491 1 20 . 1 1 23 23 CYS H H 23 7.221 7.221 8.091 -0.870 18118 9492 1 20 . 1 1 24 24 THR N N 24 115.371 115.371 122.314 -6.943 18118 9493 1 20 . 1 1 24 24 THR HA H 24 4.697 4.697 4.330 0.367 18118 9494 1 20 . 1 1 24 24 THR CA C 24 57.172 57.172 61.294 -4.122 18118 9495 1 20 . 1 1 24 24 THR CB C 24 56.222 56.222 70.371 -14.149 18118 9496 1 20 . 1 1 24 24 THR H H 24 9.082 9.082 8.006 1.076 18118 9497 1 20 . 1 1 25 25 MET N N 25 118.539 118.539 121.965 -3.426 18118 9498 1 20 . 1 1 25 25 MET HA H 25 4.161 4.161 4.134 0.027 18118 9499 1 20 . 1 1 25 25 MET CA C 25 57.241 57.241 59.132 -1.891 18118 9500 1 20 . 1 1 25 25 MET CB C 25 29.452 29.452 32.230 -2.778 18118 9501 1 20 . 1 1 25 25 MET H H 25 8.794 8.794 8.890 -0.096 18118 9502 1 20 . 1 1 26 26 GLU N N 26 118.967 118.967 119.081 -0.114 18118 9503 1 20 . 1 1 26 26 GLU HA H 26 3.802 3.802 3.889 -0.087 18118 9504 1 20 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.126 -2.879 18118 9505 1 20 . 1 1 26 26 GLU CB C 26 26.663 26.663 29.253 -2.590 18118 9506 1 20 . 1 1 26 26 GLU H H 26 8.462 8.462 8.811 -0.349 18118 9507 1 20 . 1 1 27 27 ASP N N 27 118.711 118.711 119.666 -0.955 18118 9508 1 20 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.317 -0.018 18118 9509 1 20 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.209 -2.138 18118 9510 1 20 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.052 -1.396 18118 9511 1 20 . 1 1 27 27 ASP H H 27 7.812 7.812 7.666 0.146 18118 9512 1 20 . 1 1 28 28 VAL N N 28 120.825 120.825 119.748 1.077 18118 9513 1 20 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.701 -0.257 18118 9514 1 20 . 1 1 28 28 VAL CA C 28 64.841 64.841 64.652 0.189 18118 9515 1 20 . 1 1 28 28 VAL CB C 28 29.052 29.052 31.523 -2.471 18118 9516 1 20 . 1 1 28 28 VAL H H 28 7.528 7.528 7.236 0.292 18118 9517 1 20 . 1 1 29 29 LEU N N 29 120.586 120.586 121.028 -0.442 18118 9518 1 20 . 1 1 29 29 LEU HA H 29 3.778 3.778 3.882 -0.104 18118 9519 1 20 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.072 -2.090 18118 9520 1 20 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.577 -2.623 18118 9521 1 20 . 1 1 29 29 LEU H H 29 8.399 8.399 8.498 -0.099 18118 9522 1 20 . 1 1 30 30 ASN N N 30 114.059 114.059 116.500 -2.441 18118 9523 1 20 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.483 -0.085 18118 9524 1 20 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.267 -3.788 18118 9525 1 20 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.565 -2.433 18118 9526 1 20 . 1 1 30 30 ASN H H 30 8.156 8.156 7.911 0.245 18118 9527 1 20 . 1 1 31 31 PHE N N 31 123.816 123.816 120.889 2.927 18118 9528 1 20 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.128 -0.001 18118 9529 1 20 . 1 1 31 31 PHE CA C 31 58.819 58.819 59.901 -1.081 18118 9530 1 20 . 1 1 31 31 PHE CB C 31 37.176 37.176 38.959 -1.784 18118 9531 1 20 . 1 1 31 31 PHE H H 31 8.033 8.033 7.303 0.730 18118 9532 1 20 . 1 1 32 32 PHE N N 32 115.681 115.681 112.292 3.389 18118 9533 1 20 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.629 0.024 18118 9534 1 20 . 1 1 32 32 PHE CA C 32 54.039 54.039 54.767 -0.728 18118 9535 1 20 . 1 1 32 32 PHE CB C 32 35.047 35.047 38.479 -3.432 18118 9536 1 20 . 1 1 32 32 PHE H H 32 7.622 7.622 7.674 -0.052 18118 9537 1 20 . 1 1 33 33 SER N N 33 113.797 113.797 116.955 -3.158 18118 9538 1 20 . 1 1 33 33 SER HA H 33 4.111 4.111 4.196 -0.085 18118 9539 1 20 . 1 1 33 33 SER CA C 33 59.041 59.041 60.486 -1.445 18118 9540 1 20 . 1 1 33 33 SER CB C 33 60.339 60.339 63.415 -3.076 18118 9541 1 20 . 1 1 33 33 SER H H 33 6.834 6.834 7.787 -0.953 18118 9542 1 20 . 1 1 34 34 ASP N N 34 119.155 119.155 119.244 -0.089 18118 9543 1 20 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.740 -0.159 18118 9544 1 20 . 1 1 34 34 ASP CA C 34 51.606 51.606 54.469 -2.863 18118 9545 1 20 . 1 1 34 34 ASP CB C 34 37.727 37.727 41.003 -3.276 18118 9546 1 20 . 1 1 34 34 ASP H H 34 8.717 8.717 8.258 0.459 18118 9547 1 20 . 1 1 35 35 CYS N N 35 117.269 117.269 117.223 0.046 18118 9548 1 20 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.563 -0.055 18118 9549 1 20 . 1 1 35 35 CYS CA C 35 54.961 54.961 57.998 -3.037 18118 9550 1 20 . 1 1 35 35 CYS CB C 35 27.986 27.986 29.791 -1.805 18118 9551 1 20 . 1 1 35 35 CYS H H 35 8.009 8.009 7.981 0.028 18118 9552 1 20 . 1 1 36 36 ARG N N 36 123.980 123.980 121.406 2.574 18118 9553 1 20 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.626 -0.337 18118 9554 1 20 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.245 -1.517 18118 9555 1 20 . 1 1 36 36 ARG CB C 36 26.279 26.279 30.816 -4.537 18118 9556 1 20 . 1 1 36 36 ARG H H 36 8.666 8.666 8.015 0.651 18118 9557 1 20 . 1 1 37 37 ILE N N 37 128.014 128.014 125.579 2.435 18118 9558 1 20 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.214 -0.003 18118 9559 1 20 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.534 -2.955 18118 9560 1 20 . 1 1 37 37 ILE CB C 37 36.026 36.026 39.288 -3.262 18118 9561 1 20 . 1 1 37 37 ILE H H 37 8.084 8.084 8.746 -0.662 18118 9562 1 20 . 1 1 38 38 ARG N N 38 133.264 133.264 128.986 4.278 18118 9563 1 20 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.118 -0.273 18118 9564 1 20 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.823 -3.056 18118 9565 1 20 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.484 -2.655 18118 9566 1 20 . 1 1 38 38 ARG H H 38 8.662 8.662 8.686 -0.024 18118 9567 1 20 . 1 1 39 39 ASN N N 39 117.723 117.723 119.695 -1.972 18118 9568 1 20 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.449 -0.267 18118 9569 1 20 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.175 -2.473 18118 9570 1 20 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.343 -2.497 18118 9571 1 20 . 1 1 39 39 ASN H H 39 8.992 8.992 9.133 -0.141 18118 9572 1 20 . 1 1 40 40 GLY N N 40 108.314 108.314 107.184 1.130 18118 9573 1 20 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.814 -2.531 18118 9574 1 20 . 1 1 40 40 GLY H H 40 7.949 7.949 8.365 -0.416 18118 9575 1 20 . 1 1 41 41 GLU N N 41 124.398 124.398 119.454 4.944 18118 9576 1 20 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.475 -0.663 18118 9577 1 20 . 1 1 41 41 GLU CA C 41 56.741 56.741 56.410 0.331 18118 9578 1 20 . 1 1 41 41 GLU CB C 41 26.718 26.718 31.299 -4.581 18118 9579 1 20 . 1 1 41 41 GLU H H 41 9.235 9.235 8.238 0.997 18118 9580 1 20 . 1 1 42 42 ASN N N 42 113.155 113.155 120.278 -7.123 18118 9581 1 20 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.647 -0.140 18118 9582 1 20 . 1 1 42 42 ASN CA C 42 51.901 51.901 55.453 -3.552 18118 9583 1 20 . 1 1 42 42 ASN CB C 42 36.065 36.065 39.014 -2.949 18118 9584 1 20 . 1 1 42 42 ASN H H 42 7.523 7.523 8.233 -0.710 18118 9585 1 20 . 1 1 43 43 GLY N N 43 109.898 109.898 106.093 3.805 18118 9586 1 20 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.749 -2.188 18118 9587 1 20 . 1 1 43 43 GLY H H 43 8.131 8.131 7.580 0.551 18118 9588 1 20 . 1 1 44 44 ILE N N 44 119.116 119.116 122.247 -3.131 18118 9589 1 20 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.487 -0.710 18118 9590 1 20 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.550 -4.270 18118 9591 1 20 . 1 1 44 44 ILE CB C 44 36.145 36.145 38.695 -2.550 18118 9592 1 20 . 1 1 44 44 ILE H H 44 6.715 6.715 7.417 -0.702 18118 9593 1 20 . 1 1 45 45 HIS N N 45 124.064 124.064 128.724 -4.660 18118 9594 1 20 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.920 -0.037 18118 9595 1 20 . 1 1 45 45 HIS CA C 45 49.681 49.681 55.077 -5.396 18118 9596 1 20 . 1 1 45 45 HIS CB C 45 25.934 25.934 32.473 -6.539 18118 9597 1 20 . 1 1 45 45 HIS H H 45 8.493 8.493 9.356 -0.863 18118 9598 1 20 . 1 1 46 46 PHE N N 46 123.886 123.886 124.388 -0.502 18118 9599 1 20 . 1 1 46 46 PHE HA H 46 4.563 4.563 5.028 -0.465 18118 9600 1 20 . 1 1 46 46 PHE CA C 46 57.122 57.122 55.322 1.800 18118 9601 1 20 . 1 1 46 46 PHE CB C 46 36.299 36.299 40.050 -3.751 18118 9602 1 20 . 1 1 46 46 PHE H H 46 9.014 9.014 8.138 0.876 18118 9603 1 20 . 1 1 47 47 LEU N N 47 124.343 124.343 122.437 1.906 18118 9604 1 20 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.768 -0.264 18118 9605 1 20 . 1 1 47 47 LEU CA C 47 51.885 51.885 54.512 -2.627 18118 9606 1 20 . 1 1 47 47 LEU CB C 47 38.896 38.896 44.912 -6.016 18118 9607 1 20 . 1 1 47 47 LEU H H 47 8.066 8.066 8.563 -0.497 18118 9608 1 20 . 1 1 48 48 LEU N N 48 122.809 122.809 119.087 3.722 18118 9609 1 20 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.476 0.349 18118 9610 1 20 . 1 1 48 48 LEU CA C 48 50.930 50.930 54.380 -3.450 18118 9611 1 20 . 1 1 48 48 LEU CB C 48 41.655 41.655 46.002 -4.347 18118 9612 1 20 . 1 1 48 48 LEU H H 48 8.754 8.754 8.112 0.642 18118 9613 1 20 . 1 1 49 49 ASN N N 49 119.420 119.420 118.261 1.159 18118 9614 1 20 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.877 -0.086 18118 9615 1 20 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.545 -3.950 18118 9616 1 20 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.390 -2.655 18118 9617 1 20 . 1 1 49 49 ASN H H 49 8.757 8.757 8.538 0.219 18118 9618 1 20 . 1 1 50 50 ARG N N 50 119.367 119.367 121.017 -1.650 18118 9619 1 20 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.148 -0.122 18118 9620 1 20 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.486 -2.567 18118 9621 1 20 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.570 -2.376 18118 9622 1 20 . 1 1 50 50 ARG H H 50 8.618 8.618 8.785 -0.167 18118 9623 1 20 . 1 1 51 51 ASP N N 51 116.650 116.650 117.802 -1.152 18118 9624 1 20 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.724 -0.139 18118 9625 1 20 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.635 -2.355 18118 9626 1 20 . 1 1 51 51 ASP CB C 51 38.544 38.544 41.406 -2.862 18118 9627 1 20 . 1 1 51 51 ASP H H 51 7.577 7.577 7.586 -0.009 18118 9628 1 20 . 1 1 52 52 GLY N N 52 107.719 107.719 109.659 -1.940 18118 9629 1 20 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.448 -2.107 18118 9630 1 20 . 1 1 52 52 GLY H H 52 8.171 8.171 8.568 -0.397 18118 9631 1 20 . 1 1 53 53 LYS N N 53 119.174 119.174 121.395 -2.221 18118 9632 1 20 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.562 -0.143 18118 9633 1 20 . 1 1 53 53 LYS CA C 53 51.788 51.788 54.682 -2.894 18118 9634 1 20 . 1 1 53 53 LYS CB C 53 30.976 30.976 31.218 -0.242 18118 9635 1 20 . 1 1 53 53 LYS H H 53 7.750 7.750 7.715 0.035 18118 9636 1 20 . 1 1 54 54 ARG N N 54 121.126 121.126 120.151 0.975 18118 9637 1 20 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.553 -0.384 18118 9638 1 20 . 1 1 54 54 ARG CA C 54 54.949 54.949 54.591 0.358 18118 9639 1 20 . 1 1 54 54 ARG CB C 54 28.054 28.054 33.041 -4.987 18118 9640 1 20 . 1 1 54 54 ARG H H 54 8.570 8.570 7.584 0.986 18118 9641 1 20 . 1 1 55 55 ARG N N 55 121.856 121.856 120.215 1.641 18118 9642 1 20 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.308 -0.267 18118 9643 1 20 . 1 1 55 55 ARG CA C 55 53.172 53.172 56.269 -3.097 18118 9644 1 20 . 1 1 55 55 ARG CB C 55 29.692 29.692 29.786 -0.094 18118 9645 1 20 . 1 1 55 55 ARG H H 55 8.352 8.352 8.548 -0.196 18118 9646 1 20 . 1 1 56 56 GLY N N 56 108.554 108.554 114.250 -5.696 18118 9647 1 20 . 1 1 56 56 GLY CA C 56 43.461 43.461 45.051 -1.590 18118 9648 1 20 . 1 1 56 56 GLY H H 56 8.683 8.683 8.825 -0.142 18118 9649 1 20 . 1 1 57 57 ASP N N 57 117.136 117.136 123.234 -6.098 18118 9650 1 20 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.670 0.087 18118 9651 1 20 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.329 -3.085 18118 9652 1 20 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.291 -3.026 18118 9653 1 20 . 1 1 57 57 ASP H H 57 8.018 8.018 8.027 -0.009 18118 9654 1 20 . 1 1 58 58 ALA N N 58 122.425 122.425 119.372 3.053 18118 9655 1 20 . 1 1 58 58 ALA HA H 58 5.105 5.105 5.047 0.058 18118 9656 1 20 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.082 -2.724 18118 9657 1 20 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.800 -3.356 18118 9658 1 20 . 1 1 58 58 ALA H H 58 9.137 9.137 8.658 0.479 18118 9659 1 20 . 1 1 59 59 LEU N N 59 121.454 121.454 120.544 0.910 18118 9660 1 20 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.473 -0.226 18118 9661 1 20 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.288 -2.930 18118 9662 1 20 . 1 1 59 59 LEU CB C 59 42.166 42.166 44.984 -2.818 18118 9663 1 20 . 1 1 59 59 LEU H H 59 8.604 8.604 8.855 -0.251 18118 9664 1 20 . 1 1 60 60 ILE N N 60 123.974 123.974 120.297 3.677 18118 9665 1 20 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.800 0.038 18118 9666 1 20 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.768 -1.384 18118 9667 1 20 . 1 1 60 60 ILE CB C 60 38.147 38.147 39.482 -1.335 18118 9668 1 20 . 1 1 60 60 ILE H H 60 9.081 9.081 8.698 0.383 18118 9669 1 20 . 1 1 61 61 GLU N N 61 126.177 126.177 127.312 -1.135 18118 9670 1 20 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.438 0.107 18118 9671 1 20 . 1 1 61 61 GLU CA C 61 52.464 52.464 56.563 -4.099 18118 9672 1 20 . 1 1 61 61 GLU CB C 61 29.517 29.517 30.057 -0.540 18118 9673 1 20 . 1 1 61 61 GLU H H 61 8.832 8.832 8.796 0.036 18118 9674 1 20 . 1 1 62 62 MET N N 62 121.191 121.191 126.605 -5.414 18118 9675 1 20 . 1 1 62 62 MET HA H 62 5.131 5.131 4.496 0.635 18118 9676 1 20 . 1 1 62 62 MET CA C 62 49.938 49.938 54.371 -4.433 18118 9677 1 20 . 1 1 62 62 MET CB C 62 30.874 30.874 33.891 -3.017 18118 9678 1 20 . 1 1 62 62 MET H H 62 8.854 8.854 8.132 0.722 18118 9679 1 20 . 1 1 63 63 GLU N N 63 117.598 117.598 124.281 -6.683 18118 9680 1 20 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.231 -0.160 18118 9681 1 20 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.453 -1.298 18118 9682 1 20 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.584 -2.504 18118 9683 1 20 . 1 1 63 63 GLU H H 63 8.092 8.092 8.967 -0.875 18118 9684 1 20 . 1 1 64 64 SER N N 64 109.627 109.627 111.133 -1.506 18118 9685 1 20 . 1 1 64 64 SER HA H 64 4.113 4.113 3.515 0.598 18118 9686 1 20 . 1 1 64 64 SER CA C 64 54.607 54.607 56.441 -1.834 18118 9687 1 20 . 1 1 64 64 SER CB C 64 65.273 65.273 66.052 -0.779 18118 9688 1 20 . 1 1 64 64 SER H H 64 7.710 7.710 7.322 0.388 18118 9689 1 20 . 1 1 65 65 GLU N N 65 121.394 121.394 122.863 -1.469 18118 9690 1 20 . 1 1 65 65 GLU HA H 65 3.485 3.485 3.787 -0.302 18118 9691 1 20 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.367 -4.267 18118 9692 1 20 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.460 -3.178 18118 9693 1 20 . 1 1 65 65 GLU H H 65 8.364 8.364 7.876 0.488 18118 9694 1 20 . 1 1 66 66 GLN N N 66 118.987 118.987 116.574 2.413 18118 9695 1 20 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.000 -0.098 18118 9696 1 20 . 1 1 66 66 GLN CA C 66 56.438 56.438 58.768 -2.330 18118 9697 1 20 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.112 -2.718 18118 9698 1 20 . 1 1 66 66 GLN H H 66 7.979 7.979 8.345 -0.366 18118 9699 1 20 . 1 1 67 67 ASP N N 67 118.539 118.539 117.938 0.601 18118 9700 1 20 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.561 -0.227 18118 9701 1 20 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.081 -0.354 18118 9702 1 20 . 1 1 67 67 ASP CB C 67 41.607 41.607 41.478 0.129 18118 9703 1 20 . 1 1 67 67 ASP H H 67 7.325 7.325 7.677 -0.352 18118 9704 1 20 . 1 1 68 68 VAL N N 68 119.502 119.502 121.473 -1.971 18118 9705 1 20 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.413 -0.238 18118 9706 1 20 . 1 1 68 68 VAL CA C 68 64.830 64.830 66.607 -1.777 18118 9707 1 20 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.794 -2.960 18118 9708 1 20 . 1 1 68 68 VAL H H 68 7.165 7.165 7.517 -0.352 18118 9709 1 20 . 1 1 69 69 GLN N N 69 115.899 115.899 117.357 -1.458 18118 9710 1 20 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.856 -0.122 18118 9711 1 20 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.762 -2.358 18118 9712 1 20 . 1 1 69 69 GLN CB C 69 25.212 25.212 27.943 -2.731 18118 9713 1 20 . 1 1 69 69 GLN H H 69 7.718 7.718 8.105 -0.387 18118 9714 1 20 . 1 1 70 70 LYS N N 70 118.403 118.403 116.628 1.775 18118 9715 1 20 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.095 -0.167 18118 9716 1 20 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.454 -2.517 18118 9717 1 20 . 1 1 70 70 LYS CB C 70 29.946 29.946 32.026 -2.080 18118 9718 1 20 . 1 1 70 70 LYS H H 70 7.767 7.767 7.951 -0.184 18118 9719 1 20 . 1 1 71 71 ALA N N 71 124.650 124.650 121.115 3.535 18118 9720 1 20 . 1 1 71 71 ALA HA H 71 4.027 4.027 3.850 0.177 18118 9721 1 20 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.058 -1.315 18118 9722 1 20 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.105 -1.991 18118 9723 1 20 . 1 1 71 71 ALA H H 71 8.160 8.160 7.239 0.921 18118 9724 1 20 . 1 1 72 72 LEU N N 72 116.557 116.557 120.141 -3.584 18118 9725 1 20 . 1 1 72 72 LEU HA H 72 3.794 3.794 3.872 -0.078 18118 9726 1 20 . 1 1 72 72 LEU CA C 72 54.664 54.664 58.115 -3.451 18118 9727 1 20 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.464 -2.631 18118 9728 1 20 . 1 1 72 72 LEU H H 72 8.055 8.055 8.181 -0.126 18118 9729 1 20 . 1 1 73 73 GLU N N 73 117.807 117.807 118.559 -0.752 18118 9730 1 20 . 1 1 73 73 GLU HA H 73 4.090 4.090 4.111 -0.021 18118 9731 1 20 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.088 -3.626 18118 9732 1 20 . 1 1 73 73 GLU CB C 73 26.806 26.806 28.953 -2.147 18118 9733 1 20 . 1 1 73 73 GLU H H 73 7.369 7.369 8.095 -0.726 18118 9734 1 20 . 1 1 74 74 LYS N N 74 116.715 116.715 117.635 -0.920 18118 9735 1 20 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.367 -0.175 18118 9736 1 20 . 1 1 74 74 LYS CA C 74 51.741 51.741 55.957 -4.216 18118 9737 1 20 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.525 -3.061 18118 9738 1 20 . 1 1 74 74 LYS H H 74 7.805 7.805 7.969 -0.164 18118 9739 1 20 . 1 1 75 75 HIS N N 75 117.177 117.177 117.867 -0.690 18118 9740 1 20 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.326 0.002 18118 9741 1 20 . 1 1 75 75 HIS CA C 75 55.811 55.811 59.748 -3.937 18118 9742 1 20 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.175 0.408 18118 9743 1 20 . 1 1 75 75 HIS H H 75 7.184 7.184 8.203 -1.019 18118 9744 1 20 . 1 1 76 76 ARG N N 76 121.753 121.753 116.844 4.909 18118 9745 1 20 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.297 0.009 18118 9746 1 20 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.483 0.236 18118 9747 1 20 . 1 1 76 76 ARG CB C 76 33.288 33.288 29.801 3.487 18118 9748 1 20 . 1 1 76 76 ARG H H 76 9.042 9.042 7.514 1.528 18118 9749 1 20 . 1 1 77 77 MET N N 77 117.206 117.206 119.617 -2.411 18118 9750 1 20 . 1 1 77 77 MET HA H 77 4.598 4.598 4.590 0.008 18118 9751 1 20 . 1 1 77 77 MET CA C 77 52.590 52.590 55.404 -2.814 18118 9752 1 20 . 1 1 77 77 MET CB C 77 31.234 31.234 33.588 -2.354 18118 9753 1 20 . 1 1 77 77 MET H H 77 7.835 7.835 7.721 0.114 18118 9754 1 20 . 1 1 78 78 TYR N N 78 117.960 117.960 119.196 -1.236 18118 9755 1 20 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.761 -0.159 18118 9756 1 20 . 1 1 78 78 TYR CA C 78 56.028 56.028 57.625 -1.597 18118 9757 1 20 . 1 1 78 78 TYR CB C 78 37.334 37.334 40.109 -2.775 18118 9758 1 20 . 1 1 78 78 TYR H H 78 8.359 8.359 8.469 -0.110 18118 9759 1 20 . 1 1 79 79 MET N N 79 124.673 124.673 128.486 -3.813 18118 9760 1 20 . 1 1 79 79 MET HA H 79 4.325 4.325 4.485 -0.160 18118 9761 1 20 . 1 1 79 79 MET CA C 79 52.338 52.338 55.417 -3.079 18118 9762 1 20 . 1 1 79 79 MET CB C 79 31.907 31.907 30.496 1.411 18118 9763 1 20 . 1 1 79 79 MET H H 79 8.642 8.642 8.898 -0.256 18118 9764 1 20 . 1 1 80 80 GLY N N 80 115.191 115.191 112.650 2.541 18118 9765 1 20 . 1 1 80 80 GLY CA C 80 44.426 44.426 45.979 -1.553 18118 9766 1 20 . 1 1 80 80 GLY H H 80 8.709 8.709 8.472 0.237 18118 9767 1 20 . 1 1 81 81 GLN N N 81 121.981 121.981 124.096 -2.115 18118 9768 1 20 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.511 -0.364 18118 9769 1 20 . 1 1 81 81 GLN CA C 81 53.557 53.557 54.856 -1.299 18118 9770 1 20 . 1 1 81 81 GLN CB C 81 26.736 26.736 28.012 -1.276 18118 9771 1 20 . 1 1 81 81 GLN H H 81 8.598 8.598 8.527 0.071 18118 9772 1 20 . 1 1 82 82 ARG N N 82 118.652 118.652 120.540 -1.888 18118 9773 1 20 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.545 -0.045 18118 9774 1 20 . 1 1 82 82 ARG CA C 82 51.593 51.593 53.830 -2.237 18118 9775 1 20 . 1 1 82 82 ARG CB C 82 29.507 29.507 31.233 -1.726 18118 9776 1 20 . 1 1 82 82 ARG H H 82 7.660 7.660 7.803 -0.143 18118 9777 1 20 . 1 1 84 84 VAL N N 84 125.216 125.216 127.560 -2.344 18118 9778 1 20 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.027 0.291 18118 9779 1 20 . 1 1 84 84 VAL CA C 84 58.647 58.647 62.143 -3.496 18118 9780 1 20 . 1 1 84 84 VAL CB C 84 31.015 31.015 31.976 -0.961 18118 9781 1 20 . 1 1 84 84 VAL H H 84 8.222 8.222 7.520 0.702 18118 9782 1 20 . 1 1 86 86 VAL N N 86 120.000 120.000 121.942 -1.942 18118 9783 1 20 . 1 1 86 86 VAL HA H 86 4.807 4.807 5.321 -0.514 18118 9784 1 20 . 1 1 86 86 VAL CA C 86 58.928 58.928 59.467 -0.539 18118 9785 1 20 . 1 1 86 86 VAL CB C 86 33.201 33.201 34.737 -1.536 18118 9786 1 20 . 1 1 87 87 TYR N N 87 120.377 120.377 124.800 -4.423 18118 9787 1 20 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.753 -0.129 18118 9788 1 20 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.581 -3.137 18118 9789 1 20 . 1 1 87 87 TYR CB C 87 40.105 40.105 42.689 -2.584 18118 9790 1 20 . 1 1 87 87 TYR H H 87 8.731 8.731 8.151 0.580 18118 9791 1 20 . 1 1 88 88 GLU N N 88 122.304 122.304 120.575 1.729 18118 9792 1 20 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.521 -0.171 18118 9793 1 20 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.728 -3.088 18118 9794 1 20 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.189 -1.760 18118 9795 1 20 . 1 1 88 88 GLU H H 88 8.873 8.873 8.661 0.212 18118 9796 1 20 . 1 1 89 89 ILE N N 89 125.082 125.082 120.487 4.595 18118 9797 1 20 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.252 0.006 18118 9798 1 20 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.098 -3.267 18118 9799 1 20 . 1 1 89 89 ILE CB C 89 34.985 34.985 38.805 -3.820 18118 9800 1 20 . 1 1 89 89 ILE H H 89 7.983 7.983 8.152 -0.169 18118 9801 1 20 . 1 1 90 90 ASN N N 90 126.142 126.142 122.948 3.194 18118 9802 1 20 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.794 -0.203 18118 9803 1 20 . 1 1 90 90 ASN CA C 90 50.615 50.615 53.034 -2.419 18118 9804 1 20 . 1 1 90 90 ASN CB C 90 36.638 36.638 40.045 -3.407 18118 9805 1 20 . 1 1 90 90 ASN H H 90 8.890 8.890 8.640 0.250 18118 9806 1 20 . 1 1 91 91 ASN N N 91 121.333 121.333 119.906 1.427 18118 9807 1 20 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.402 -0.106 18118 9808 1 20 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.332 -2.382 18118 9809 1 20 . 1 1 91 91 ASN CB C 91 36.305 36.305 37.720 -1.415 18118 9810 1 20 . 1 1 91 91 ASN H H 91 8.867 8.867 8.891 -0.024 18118 9811 1 20 . 1 1 92 92 GLU N N 92 117.848 117.848 119.065 -1.217 18118 9812 1 20 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.040 0.052 18118 9813 1 20 . 1 1 92 92 GLU CA C 92 55.551 55.551 59.262 -3.711 18118 9814 1 20 . 1 1 92 92 GLU CB C 92 26.767 26.767 29.080 -2.313 18118 9815 1 20 . 1 1 92 92 GLU H H 92 8.869 8.869 8.747 0.122 18118 9816 1 20 . 1 1 93 93 ASP N N 93 118.819 118.819 116.235 2.584 18118 9817 1 20 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.833 -0.181 18118 9818 1 20 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.185 -2.048 18118 9819 1 20 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.768 -2.246 18118 9820 1 20 . 1 1 93 93 ASP H H 93 7.965 7.965 7.718 0.247 18118 9821 1 20 . 1 1 94 94 VAL N N 94 120.480 120.480 121.607 -1.127 18118 9822 1 20 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.558 -0.284 18118 9823 1 20 . 1 1 94 94 VAL CA C 94 64.179 64.179 66.820 -2.641 18118 9824 1 20 . 1 1 94 94 VAL CB C 94 29.477 29.477 31.890 -2.413 18118 9825 1 20 . 1 1 94 94 VAL H H 94 7.406 7.406 7.740 -0.334 18118 9826 1 20 . 1 1 95 95 ASP N N 95 119.806 119.806 119.101 0.705 18118 9827 1 20 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.278 -0.123 18118 9828 1 20 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.248 -2.032 18118 9829 1 20 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.426 -1.799 18118 9830 1 20 . 1 1 95 95 ASP H H 95 8.342 8.342 7.666 0.676 18118 9831 1 20 . 1 1 96 96 ALA N N 96 119.946 119.946 120.895 -0.949 18118 9832 1 20 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.204 -0.278 18118 9833 1 20 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.226 -2.086 18118 9834 1 20 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.674 -2.998 18118 9835 1 20 . 1 1 96 96 ALA H H 96 8.162 8.162 8.029 0.133 18118 9836 1 20 . 1 1 97 97 LEU N N 97 119.391 119.391 120.437 -1.046 18118 9837 1 20 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.880 0.105 18118 9838 1 20 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.714 -2.883 18118 9839 1 20 . 1 1 97 97 LEU CB C 97 39.438 39.438 41.924 -2.486 18118 9840 1 20 . 1 1 97 97 LEU H H 97 7.679 7.679 7.970 -0.291 18118 9841 1 20 . 1 1 98 98 MET N N 98 118.055 118.055 115.667 2.388 18118 9842 1 20 . 1 1 98 98 MET HA H 98 4.128 4.128 4.099 0.029 18118 9843 1 20 . 1 1 98 98 MET CA C 98 54.606 54.606 58.087 -3.482 18118 9844 1 20 . 1 1 98 98 MET CB C 98 27.902 27.902 32.032 -4.130 18118 9845 1 20 . 1 1 98 98 MET H H 98 8.504 8.504 7.804 0.700 18118 9846 1 20 . 1 1 99 99 LYS N N 99 119.351 119.351 117.264 2.087 18118 9847 1 20 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.103 -0.132 18118 9848 1 20 . 1 1 99 99 LYS CA C 99 56.301 56.301 58.441 -2.140 18118 9849 1 20 . 1 1 99 99 LYS CB C 99 29.692 29.692 31.933 -2.241 18118 9850 1 20 . 1 1 99 99 LYS H H 99 7.986 7.986 7.558 0.428 18118 9851 1 20 . 1 1 100 100 SER N N 100 114.964 114.964 116.818 -1.854 18118 9852 1 20 . 1 1 100 100 SER HA H 100 4.268 4.268 4.211 0.057 18118 9853 1 20 . 1 1 100 100 SER CA C 100 57.764 57.764 61.147 -3.382 18118 9854 1 20 . 1 1 100 100 SER CB C 100 60.753 60.753 63.075 -2.322 18118 9855 1 20 . 1 1 100 100 SER H H 100 7.711 7.711 7.753 -0.042 18118 9856 1 20 . 1 1 101 101 LEU N N 101 120.679 120.679 120.114 0.565 18118 9857 1 20 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.375 -0.215 18118 9858 1 20 . 1 1 101 101 LEU CA C 101 52.893 52.893 54.167 -1.274 18118 9859 1 20 . 1 1 101 101 LEU CB C 101 39.541 39.541 40.871 -1.330 18118 9860 1 20 . 1 1 101 101 LEU H H 101 7.405 7.405 7.219 0.186 18118 9861 1 20 . 1 1 102 102 GLN N N 102 117.646 117.646 120.401 -2.755 18118 9862 1 20 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.213 -0.018 18118 9863 1 20 . 1 1 102 102 GLN CA C 102 53.360 53.360 56.562 -3.201 18118 9864 1 20 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.384 -0.903 18118 9865 1 20 . 1 1 102 102 GLN H H 102 7.588 7.588 8.235 -0.647 18118 9866 1 20 . 1 1 103 103 VAL N N 103 120.269 120.269 122.340 -2.071 18118 9867 1 20 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.020 -0.005 18118 9868 1 20 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.375 -2.620 18118 9869 1 20 . 1 1 103 103 VAL CB C 103 30.579 30.579 30.191 0.388 18118 9870 1 20 . 1 1 103 103 VAL H H 103 7.839 7.839 7.639 0.200 18118 9871 1 20 . 1 1 104 104 LYS N N 104 125.201 125.201 122.120 3.081 18118 9872 1 20 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.528 -0.185 18118 9873 1 20 . 1 1 104 104 LYS CA C 104 53.348 53.348 55.602 -2.254 18118 9874 1 20 . 1 1 104 104 LYS CB C 104 30.634 30.634 33.525 -2.891 18118 9875 1 20 . 1 1 104 104 LYS H H 104 8.364 8.364 7.547 0.817 18118 9876 1 20 . 1 1 105 105 SER N N 105 117.664 117.664 120.041 -2.377 18118 9877 1 20 . 1 1 105 105 SER HA H 105 4.401 4.401 4.475 -0.074 18118 9878 1 20 . 1 1 105 105 SER CA C 105 55.611 55.611 58.862 -3.251 18118 9879 1 20 . 1 1 105 105 SER CB C 105 61.286 61.286 63.617 -2.331 18118 9880 1 20 . 1 1 105 105 SER H H 105 8.354 8.354 8.566 -0.212 18118 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 101 2.655 0.071 2.668 18118 2 1 1 "Average Difference" HA 95 0.301 0.096 0.286 18118 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18118 4 1 1 "Average Difference" CA 102 2.761 2.530 1.110 18118 5 1 1 "Average Difference" CB 96 3.251 2.618 1.938 18118 6 1 1 "Average Difference" HN 100 0.522 -0.047 0.523 18118 7 1 2 "Average Difference" N 101 2.725 -0.177 2.733 18118 8 1 2 "Average Difference" HA 95 0.286 0.154 0.242 18118 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18118 10 1 2 "Average Difference" CA 102 2.590 2.330 1.136 18118 11 1 2 "Average Difference" CB 96 3.262 2.716 1.817 18118 12 1 2 "Average Difference" HN 100 0.504 0.008 0.506 18118 13 1 3 "Average Difference" N 101 2.545 -0.007 2.558 18118 14 1 3 "Average Difference" HA 95 0.302 0.129 0.275 18118 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18118 16 1 3 "Average Difference" CA 102 2.742 2.497 1.139 18118 17 1 3 "Average Difference" CB 96 3.207 2.643 1.826 18118 18 1 3 "Average Difference" HN 100 0.469 -0.060 0.468 18118 19 1 4 "Average Difference" N 101 2.868 -0.300 2.867 18118 20 1 4 "Average Difference" HA 95 0.284 0.080 0.274 18118 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18118 22 1 4 "Average Difference" CA 102 2.645 2.434 1.040 18118 23 1 4 "Average Difference" CB 96 3.184 2.530 1.942 18118 24 1 4 "Average Difference" HN 100 0.491 -0.067 0.489 18118 25 1 5 "Average Difference" N 101 2.785 0.144 2.795 18118 26 1 5 "Average Difference" HA 95 0.281 0.102 0.263 18118 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18118 28 1 5 "Average Difference" CA 102 2.708 2.492 1.064 18118 29 1 5 "Average Difference" CB 96 3.167 2.658 1.731 18118 30 1 5 "Average Difference" HN 100 0.488 -0.060 0.487 18118 31 1 6 "Average Difference" N 101 2.823 -0.240 2.827 18118 32 1 6 "Average Difference" HA 95 0.237 0.120 0.206 18118 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18118 34 1 6 "Average Difference" CA 102 2.666 2.425 1.114 18118 35 1 6 "Average Difference" CB 96 3.293 2.717 1.870 18118 36 1 6 "Average Difference" HN 100 0.502 -0.062 0.500 18118 37 1 7 "Average Difference" N 101 2.866 -0.005 2.880 18118 38 1 7 "Average Difference" HA 95 0.305 0.092 0.292 18118 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18118 40 1 7 "Average Difference" CA 102 2.714 2.473 1.125 18118 41 1 7 "Average Difference" CB 96 3.125 2.504 1.879 18118 42 1 7 "Average Difference" HN 100 0.485 -0.039 0.486 18118 43 1 8 "Average Difference" N 101 2.753 -0.014 2.767 18118 44 1 8 "Average Difference" HA 95 0.285 0.129 0.255 18118 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18118 46 1 8 "Average Difference" CA 102 2.699 2.455 1.125 18118 47 1 8 "Average Difference" CB 96 3.241 2.651 1.875 18118 48 1 8 "Average Difference" HN 100 0.482 0.021 0.484 18118 49 1 9 "Average Difference" N 101 2.960 -0.207 2.968 18118 50 1 9 "Average Difference" HA 95 0.261 0.129 0.228 18118 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18118 52 1 9 "Average Difference" CA 102 2.734 2.461 1.197 18118 53 1 9 "Average Difference" CB 96 3.192 2.640 1.804 18118 54 1 9 "Average Difference" HN 100 0.500 -0.032 0.502 18118 55 1 10 "Average Difference" N 101 2.853 -0.128 2.865 18118 56 1 10 "Average Difference" HA 95 0.301 0.115 0.279 18118 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18118 58 1 10 "Average Difference" CA 102 2.659 2.475 0.977 18118 59 1 10 "Average Difference" CB 96 3.232 2.620 1.902 18118 60 1 10 "Average Difference" HN 100 0.501 -0.029 0.503 18118 61 1 11 "Average Difference" N 101 2.706 -0.329 2.700 18118 62 1 11 "Average Difference" HA 95 0.259 0.100 0.240 18118 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18118 64 1 11 "Average Difference" CA 102 2.715 2.532 0.984 18118 65 1 11 "Average Difference" CB 96 3.210 2.634 1.844 18118 66 1 11 "Average Difference" HN 100 0.511 -0.042 0.512 18118 67 1 12 "Average Difference" N 101 2.974 -0.089 2.988 18118 68 1 12 "Average Difference" HA 95 0.336 0.096 0.323 18118 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18118 70 1 12 "Average Difference" CA 102 2.747 2.493 1.158 18118 71 1 12 "Average Difference" CB 96 3.224 2.681 1.800 18118 72 1 12 "Average Difference" HN 100 0.499 -0.028 0.501 18118 73 1 13 "Average Difference" N 101 2.584 -0.349 2.573 18118 74 1 13 "Average Difference" HA 95 0.292 0.116 0.270 18118 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18118 76 1 13 "Average Difference" CA 102 2.628 2.396 1.085 18118 77 1 13 "Average Difference" CB 96 3.280 2.731 1.826 18118 78 1 13 "Average Difference" HN 100 0.528 -0.081 0.524 18118 79 1 14 "Average Difference" N 101 2.961 -0.373 2.953 18118 80 1 14 "Average Difference" HA 95 0.262 0.103 0.242 18118 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18118 82 1 14 "Average Difference" CA 102 2.740 2.516 1.091 18118 83 1 14 "Average Difference" CB 96 3.255 2.686 1.848 18118 84 1 14 "Average Difference" HN 100 0.567 -0.065 0.566 18118 85 1 15 "Average Difference" N 101 2.651 -0.016 2.665 18118 86 1 15 "Average Difference" HA 95 0.269 0.081 0.258 18118 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18118 88 1 15 "Average Difference" CA 102 2.816 2.562 1.176 18118 89 1 15 "Average Difference" CB 96 3.150 2.619 1.760 18118 90 1 15 "Average Difference" HN 100 0.557 -0.063 0.556 18118 91 1 16 "Average Difference" N 101 2.937 -0.081 2.951 18118 92 1 16 "Average Difference" HA 95 0.308 0.136 0.278 18118 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18118 94 1 16 "Average Difference" CA 102 2.671 2.348 1.281 18118 95 1 16 "Average Difference" CB 96 3.242 2.740 1.742 18118 96 1 16 "Average Difference" HN 100 0.526 -0.052 0.526 18118 97 1 17 "Average Difference" N 101 2.949 0.058 2.964 18118 98 1 17 "Average Difference" HA 95 0.289 0.128 0.261 18118 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18118 100 1 17 "Average Difference" CA 102 2.706 2.468 1.117 18118 101 1 17 "Average Difference" CB 96 3.069 2.505 1.781 18118 102 1 17 "Average Difference" HN 100 0.483 -0.043 0.483 18118 103 1 18 "Average Difference" N 101 2.770 -0.202 2.777 18118 104 1 18 "Average Difference" HA 95 0.281 0.143 0.243 18118 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18118 106 1 18 "Average Difference" CA 102 2.621 2.372 1.122 18118 107 1 18 "Average Difference" CB 96 3.303 2.772 1.806 18118 108 1 18 "Average Difference" HN 100 0.452 0.013 0.454 18118 109 1 19 "Average Difference" N 101 2.796 0.055 2.809 18118 110 1 19 "Average Difference" HA 95 0.299 0.103 0.282 18118 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18118 112 1 19 "Average Difference" CA 102 2.743 2.495 1.146 18118 113 1 19 "Average Difference" CB 96 3.195 2.637 1.813 18118 114 1 19 "Average Difference" HN 100 0.498 -0.009 0.500 18118 115 1 20 "Average Difference" N 101 2.876 0.196 2.884 18118 116 1 20 "Average Difference" HA 95 0.245 0.101 0.225 18118 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18118 118 1 20 "Average Difference" CA 102 2.717 2.469 1.140 18118 119 1 20 "Average Difference" CB 96 3.087 2.470 1.861 18118 120 1 20 "Average Difference" HN 100 0.505 -0.075 0.502 18118 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 18118 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER N N 2 118.867 118.867 116.462 2.405 18118 2 1 . 1 1 2 2 SER HA H 2 4.707 4.707 4.648 0.059 18118 3 1 . 1 1 2 2 SER CA C 2 55.678 55.678 58.406 -2.728 18118 4 1 . 1 1 2 2 SER CB C 2 61.009 61.009 64.333 -3.324 18118 5 1 . 1 1 2 2 SER H H 2 8.195 8.195 8.373 -0.178 18118 6 1 . 1 1 3 3 LYS N N 3 123.188 123.188 122.561 0.627 18118 7 1 . 1 1 3 3 LYS CA C 3 53.708 53.708 56.396 -2.688 18118 8 1 . 1 1 3 3 LYS CB C 3 30.374 30.374 32.744 -2.370 18118 9 1 . 1 1 3 3 LYS H H 3 8.427 8.427 8.443 -0.016 18118 10 1 . 1 1 4 4 LEU N N 4 123.342 123.342 122.912 0.430 18118 11 1 . 1 1 4 4 LEU HA H 4 4.204 4.204 4.562 -0.358 18118 12 1 . 1 1 4 4 LEU CA C 4 52.990 52.990 54.833 -1.843 18118 13 1 . 1 1 4 4 LEU CB C 4 39.667 39.667 43.347 -3.680 18118 14 1 . 1 1 4 4 LEU H H 4 8.311 8.311 8.129 0.182 18118 15 1 . 1 1 5 5 GLU N N 5 120.431 120.431 119.426 1.005 18118 16 1 . 1 1 5 5 GLU HA H 5 4.157 4.157 4.488 -0.331 18118 17 1 . 1 1 5 5 GLU CA C 5 54.230 54.230 56.155 -1.925 18118 18 1 . 1 1 5 5 GLU CB C 5 27.847 27.847 30.149 -2.302 18118 19 1 . 1 1 5 5 GLU H H 5 8.321 8.321 8.633 -0.312 18118 20 1 . 1 1 6 6 GLU N N 6 120.027 120.027 119.967 0.060 18118 21 1 . 1 1 6 6 GLU HA H 6 4.191 4.191 4.448 -0.257 18118 22 1 . 1 1 6 6 GLU CA C 6 53.842 53.842 56.051 -2.209 18118 23 1 . 1 1 6 6 GLU CB C 6 27.723 27.723 31.232 -3.509 18118 24 1 . 1 1 6 6 GLU H H 6 8.177 8.177 8.002 0.175 18118 25 1 . 1 1 7 7 GLU N N 7 121.663 121.663 121.040 0.623 18118 26 1 . 1 1 7 7 GLU HA H 7 4.191 4.191 4.489 -0.298 18118 27 1 . 1 1 7 7 GLU CA C 7 53.679 53.679 56.241 -2.562 18118 28 1 . 1 1 7 7 GLU CB C 7 27.548 27.548 29.914 -2.366 18118 29 1 . 1 1 7 7 GLU H H 7 8.228 8.228 8.693 -0.465 18118 30 1 . 1 1 8 8 VAL N N 8 120.733 120.733 118.584 2.149 18118 31 1 . 1 1 8 8 VAL HA H 8 4.086 4.086 4.248 -0.162 18118 32 1 . 1 1 8 8 VAL CA C 8 59.139 59.139 61.391 -2.252 18118 33 1 . 1 1 8 8 VAL CB C 8 30.700 30.700 32.801 -2.101 18118 34 1 . 1 1 8 8 VAL H H 8 8.102 8.102 7.679 0.423 18118 35 1 . 1 1 9 9 ASP N N 9 124.190 124.190 121.440 2.750 18118 36 1 . 1 1 9 9 ASP HA H 9 4.557 4.557 4.677 -0.120 18118 37 1 . 1 1 9 9 ASP CA C 9 51.180 51.180 54.170 -2.990 18118 38 1 . 1 1 9 9 ASP CB C 9 38.781 38.781 41.805 -3.024 18118 39 1 . 1 1 9 9 ASP H H 9 8.313 8.313 8.367 -0.054 18118 40 1 . 1 1 10 10 ASP N N 10 120.966 120.966 120.433 0.533 18118 41 1 . 1 1 10 10 ASP HA H 10 4.379 4.379 4.581 -0.202 18118 42 1 . 1 1 10 10 ASP CA C 10 51.555 51.555 53.979 -2.424 18118 43 1 . 1 1 10 10 ASP CB C 10 39.138 39.138 40.298 -1.160 18118 44 1 . 1 1 10 10 ASP H H 10 8.106 8.106 8.389 -0.283 18118 45 1 . 1 1 11 11 VAL N N 11 119.321 119.321 120.057 -0.736 18118 46 1 . 1 1 11 11 VAL HA H 11 3.919 3.919 3.958 -0.038 18118 47 1 . 1 1 11 11 VAL CA C 11 58.721 58.721 61.434 -2.713 18118 48 1 . 1 1 11 11 VAL CB C 11 31.300 31.300 33.248 -1.948 18118 49 1 . 1 1 11 11 VAL H H 11 7.528 7.528 7.486 0.042 18118 50 1 . 1 1 12 12 PHE N N 12 125.723 125.723 124.948 0.775 18118 51 1 . 1 1 12 12 PHE HA H 12 4.586 4.586 4.742 -0.156 18118 52 1 . 1 1 12 12 PHE CA C 12 53.764 53.764 55.645 -1.881 18118 53 1 . 1 1 12 12 PHE CB C 12 37.698 37.698 38.404 -0.706 18118 54 1 . 1 1 12 12 PHE H H 12 8.573 8.573 8.359 0.214 18118 55 1 . 1 1 13 13 LEU N N 13 123.923 123.923 121.110 2.813 18118 56 1 . 1 1 13 13 LEU HA H 13 5.232 5.232 5.175 0.057 18118 57 1 . 1 1 13 13 LEU CA C 13 51.361 51.361 53.593 -2.232 18118 58 1 . 1 1 13 13 LEU CB C 13 44.651 44.651 46.092 -1.441 18118 59 1 . 1 1 13 13 LEU H H 13 8.794 8.794 7.621 1.173 18118 60 1 . 1 1 14 14 ILE N N 14 114.563 114.563 116.081 -1.518 18118 61 1 . 1 1 14 14 ILE HA H 14 4.891 4.891 4.971 -0.080 18118 62 1 . 1 1 14 14 ILE CA C 14 55.381 55.381 59.042 -3.661 18118 63 1 . 1 1 14 14 ILE CB C 14 39.318 39.318 42.555 -3.237 18118 64 1 . 1 1 14 14 ILE H H 14 8.316 8.316 8.453 -0.137 18118 65 1 . 1 1 15 15 ARG N N 15 122.555 122.555 121.148 1.407 18118 66 1 . 1 1 15 15 ARG HA H 15 5.334 5.334 5.282 0.052 18118 67 1 . 1 1 15 15 ARG CA C 15 51.293 51.293 54.353 -3.060 18118 68 1 . 1 1 15 15 ARG CB C 15 31.850 31.850 34.253 -2.403 18118 69 1 . 1 1 15 15 ARG H H 15 9.231 9.231 8.957 0.273 18118 70 1 . 1 1 16 16 ALA N N 16 127.755 127.755 127.809 -0.054 18118 71 1 . 1 1 16 16 ALA HA H 16 5.696 5.696 5.227 0.469 18118 72 1 . 1 1 16 16 ALA CA C 16 46.775 46.775 50.526 -3.751 18118 73 1 . 1 1 16 16 ALA CB C 16 18.337 18.337 21.682 -3.345 18118 74 1 . 1 1 16 16 ALA H H 16 9.005 9.005 8.813 0.192 18118 75 1 . 1 1 17 17 GLN N N 17 121.076 121.076 120.809 0.267 18118 76 1 . 1 1 17 17 GLN HA H 17 5.135 5.135 4.947 0.188 18118 77 1 . 1 1 17 17 GLN CA C 17 51.832 51.832 54.563 -2.731 18118 78 1 . 1 1 17 17 GLN CB C 17 30.738 30.738 32.038 -1.300 18118 79 1 . 1 1 17 17 GLN H H 17 9.557 9.557 8.607 0.950 18118 80 1 . 1 1 18 18 GLY N N 18 110.950 110.950 107.776 3.174 18118 81 1 . 1 1 18 18 GLY CA C 18 42.822 42.822 45.185 -2.363 18118 82 1 . 1 1 18 18 GLY H H 18 8.294 8.294 8.504 -0.210 18118 83 1 . 1 1 19 19 LEU N N 19 118.809 118.809 121.910 -3.101 18118 84 1 . 1 1 19 19 LEU HA H 19 4.032 4.032 4.427 -0.395 18118 85 1 . 1 1 19 19 LEU CA C 19 50.705 50.705 52.696 -1.991 18118 86 1 . 1 1 19 19 LEU CB C 19 37.568 37.568 42.120 -4.552 18118 87 1 . 1 1 19 19 LEU H H 19 8.292 8.292 7.634 0.657 18118 88 1 . 1 1 20 20 PRO HA H 20 4.292 4.292 4.361 -0.069 18118 89 1 . 1 1 20 20 PRO CA C 20 60.101 60.101 62.339 -2.238 18118 90 1 . 1 1 20 20 PRO CB C 20 29.199 29.199 32.496 -3.297 18118 91 1 . 1 1 21 21 TRP N N 21 124.383 124.383 119.628 4.755 18118 92 1 . 1 1 21 21 TRP HA H 21 4.690 4.690 4.481 0.209 18118 93 1 . 1 1 21 21 TRP CA C 21 56.237 56.237 58.782 -2.546 18118 94 1 . 1 1 21 21 TRP CB C 21 25.965 25.965 28.952 -2.987 18118 95 1 . 1 1 21 21 TRP H H 21 8.527 8.527 8.165 0.362 18118 96 1 . 1 1 22 22 SER N N 22 109.532 109.532 116.071 -6.539 18118 97 1 . 1 1 22 22 SER HA H 22 4.099 4.099 4.545 -0.446 18118 98 1 . 1 1 22 22 SER CA C 22 54.162 54.162 57.750 -3.588 18118 99 1 . 1 1 22 22 SER CB C 22 60.334 60.334 62.074 -1.741 18118 100 1 . 1 1 22 22 SER H H 22 7.436 7.436 7.972 -0.536 18118 101 1 . 1 1 23 23 CYS N N 23 119.744 119.744 122.177 -2.433 18118 102 1 . 1 1 23 23 CYS HA H 23 4.466 4.466 4.393 0.073 18118 103 1 . 1 1 23 23 CYS CA C 23 55.975 55.975 59.040 -3.065 18118 104 1 . 1 1 23 23 CYS CB C 23 25.489 25.489 28.302 -2.813 18118 105 1 . 1 1 23 23 CYS H H 23 7.221 7.221 7.959 -0.738 18118 106 1 . 1 1 24 24 THR N N 24 115.371 115.371 118.303 -2.932 18118 107 1 . 1 1 24 24 THR HA H 24 4.697 4.697 4.429 0.268 18118 108 1 . 1 1 24 24 THR CA C 24 57.172 57.172 60.777 -3.605 18118 109 1 . 1 1 24 24 THR CB C 24 56.222 56.222 70.923 -14.702 18118 110 1 . 1 1 24 24 THR H H 24 9.082 9.082 8.150 0.932 18118 111 1 . 1 1 25 25 MET N N 25 118.539 118.539 121.381 -2.842 18118 112 1 . 1 1 25 25 MET HA H 25 4.161 4.161 4.141 0.020 18118 113 1 . 1 1 25 25 MET CA C 25 57.241 57.241 59.154 -1.913 18118 114 1 . 1 1 25 25 MET CB C 25 29.452 29.452 32.401 -2.949 18118 115 1 . 1 1 25 25 MET H H 25 8.794 8.794 8.763 0.031 18118 116 1 . 1 1 26 26 GLU N N 26 118.967 118.967 119.435 -0.468 18118 117 1 . 1 1 26 26 GLU HA H 26 3.802 3.802 3.995 -0.193 18118 118 1 . 1 1 26 26 GLU CA C 26 57.247 57.247 60.091 -2.844 18118 119 1 . 1 1 26 26 GLU CB C 26 26.663 26.663 28.860 -2.197 18118 120 1 . 1 1 26 26 GLU H H 26 8.462 8.462 8.690 -0.228 18118 121 1 . 1 1 27 27 ASP N N 27 118.711 118.711 118.586 0.125 18118 122 1 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.397 -0.098 18118 123 1 . 1 1 27 27 ASP CA C 27 55.071 55.071 57.175 -2.104 18118 124 1 . 1 1 27 27 ASP CB C 27 38.656 38.656 40.430 -1.774 18118 125 1 . 1 1 27 27 ASP H H 27 7.812 7.812 8.034 -0.222 18118 126 1 . 1 1 28 28 VAL N N 28 120.825 120.825 119.455 1.370 18118 127 1 . 1 1 28 28 VAL HA H 28 3.444 3.444 3.842 -0.398 18118 128 1 . 1 1 28 28 VAL CA C 28 64.841 64.841 64.988 -0.147 18118 129 1 . 1 1 28 28 VAL CB C 28 29.052 29.052 32.049 -2.997 18118 130 1 . 1 1 28 28 VAL H H 28 7.528 7.528 7.515 0.013 18118 131 1 . 1 1 29 29 LEU N N 29 120.586 120.586 121.039 -0.453 18118 132 1 . 1 1 29 29 LEU HA H 29 3.778 3.778 3.973 -0.195 18118 133 1 . 1 1 29 29 LEU CA C 29 55.982 55.982 58.374 -2.392 18118 134 1 . 1 1 29 29 LEU CB C 29 38.954 38.954 41.525 -2.571 18118 135 1 . 1 1 29 29 LEU H H 29 8.399 8.399 8.297 0.102 18118 136 1 . 1 1 30 30 ASN N N 30 114.059 114.059 116.814 -2.755 18118 137 1 . 1 1 30 30 ASN HA H 30 4.398 4.398 4.453 -0.055 18118 138 1 . 1 1 30 30 ASN CA C 30 52.480 52.480 56.170 -3.690 18118 139 1 . 1 1 30 30 ASN CB C 30 36.132 36.132 38.419 -2.287 18118 140 1 . 1 1 30 30 ASN H H 30 8.156 8.156 7.972 0.184 18118 141 1 . 1 1 31 31 PHE N N 31 123.816 123.816 121.612 2.204 18118 142 1 . 1 1 31 31 PHE HA H 31 4.127 4.127 4.101 0.026 18118 143 1 . 1 1 31 31 PHE CA C 31 58.819 58.819 60.454 -1.635 18118 144 1 . 1 1 31 31 PHE CB C 31 37.176 37.176 39.070 -1.894 18118 145 1 . 1 1 31 31 PHE H H 31 8.033 8.033 7.897 0.136 18118 146 1 . 1 1 32 32 PHE N N 32 115.681 115.681 114.680 1.001 18118 147 1 . 1 1 32 32 PHE HA H 32 4.653 4.653 4.609 0.044 18118 148 1 . 1 1 32 32 PHE CA C 32 54.039 54.039 55.553 -1.514 18118 149 1 . 1 1 32 32 PHE CB C 32 35.047 35.047 37.520 -2.473 18118 150 1 . 1 1 32 32 PHE H H 32 7.622 7.622 8.160 -0.538 18118 151 1 . 1 1 33 33 SER N N 33 113.797 113.797 117.035 -3.238 18118 152 1 . 1 1 33 33 SER HA H 33 4.111 4.111 4.268 -0.157 18118 153 1 . 1 1 33 33 SER CA C 33 59.041 59.041 60.882 -1.841 18118 154 1 . 1 1 33 33 SER CB C 33 60.339 60.339 63.337 -2.998 18118 155 1 . 1 1 33 33 SER H H 33 6.834 6.834 7.687 -0.853 18118 156 1 . 1 1 34 34 ASP N N 34 119.155 119.155 120.188 -1.033 18118 157 1 . 1 1 34 34 ASP HA H 34 4.581 4.581 4.763 -0.182 18118 158 1 . 1 1 34 34 ASP CA C 34 51.606 51.606 54.075 -2.469 18118 159 1 . 1 1 34 34 ASP CB C 34 37.727 37.727 40.950 -3.223 18118 160 1 . 1 1 34 34 ASP H H 34 8.717 8.717 8.444 0.273 18118 161 1 . 1 1 35 35 CYS N N 35 117.269 117.269 116.331 0.938 18118 162 1 . 1 1 35 35 CYS HA H 35 4.508 4.508 4.810 -0.302 18118 163 1 . 1 1 35 35 CYS CA C 35 54.961 54.961 56.754 -1.793 18118 164 1 . 1 1 35 35 CYS CB C 35 27.986 27.986 30.808 -2.822 18118 165 1 . 1 1 35 35 CYS H H 35 8.009 8.009 7.755 0.254 18118 166 1 . 1 1 36 36 ARG N N 36 123.980 123.980 122.104 1.876 18118 167 1 . 1 1 36 36 ARG HA H 36 4.289 4.289 4.614 -0.325 18118 168 1 . 1 1 36 36 ARG CA C 36 52.728 52.728 54.654 -1.926 18118 169 1 . 1 1 36 36 ARG CB C 36 26.279 26.279 30.783 -4.504 18118 170 1 . 1 1 36 36 ARG H H 36 8.666 8.666 8.516 0.150 18118 171 1 . 1 1 37 37 ILE N N 37 128.014 128.014 125.207 2.807 18118 172 1 . 1 1 37 37 ILE HA H 37 4.211 4.211 4.154 0.057 18118 173 1 . 1 1 37 37 ILE CA C 37 58.579 58.579 61.487 -2.908 18118 174 1 . 1 1 37 37 ILE CB C 37 36.026 36.026 39.041 -3.015 18118 175 1 . 1 1 37 37 ILE H H 37 8.084 8.084 8.645 -0.561 18118 176 1 . 1 1 38 38 ARG N N 38 133.264 133.264 127.622 5.642 18118 177 1 . 1 1 38 38 ARG HA H 38 3.845 3.845 4.161 -0.316 18118 178 1 . 1 1 38 38 ARG CA C 38 54.767 54.767 57.392 -2.625 18118 179 1 . 1 1 38 38 ARG CB C 38 27.829 27.829 30.683 -2.854 18118 180 1 . 1 1 38 38 ARG H H 38 8.662 8.662 8.595 0.067 18118 181 1 . 1 1 39 39 ASN N N 39 117.723 117.723 120.839 -3.116 18118 182 1 . 1 1 39 39 ASN HA H 39 4.182 4.182 4.365 -0.183 18118 183 1 . 1 1 39 39 ASN CA C 39 51.702 51.702 54.654 -2.952 18118 184 1 . 1 1 39 39 ASN CB C 39 34.846 34.846 37.539 -2.693 18118 185 1 . 1 1 39 39 ASN H H 39 8.992 8.992 9.124 -0.132 18118 186 1 . 1 1 40 40 GLY N N 40 108.314 108.314 107.807 0.507 18118 187 1 . 1 1 40 40 GLY CA C 40 44.283 44.283 46.452 -2.169 18118 188 1 . 1 1 40 40 GLY H H 40 7.949 7.949 8.234 -0.285 18118 189 1 . 1 1 41 41 GLU N N 41 124.398 124.398 121.154 3.244 18118 190 1 . 1 1 41 41 GLU HA H 41 3.812 3.812 4.347 -0.535 18118 191 1 . 1 1 41 41 GLU CA C 41 56.741 56.741 57.094 -0.353 18118 192 1 . 1 1 41 41 GLU CB C 41 26.718 26.718 30.445 -3.727 18118 193 1 . 1 1 41 41 GLU H H 41 9.235 9.235 8.229 1.006 18118 194 1 . 1 1 42 42 ASN N N 42 113.155 113.155 119.145 -5.990 18118 195 1 . 1 1 42 42 ASN HA H 42 4.507 4.507 4.690 -0.183 18118 196 1 . 1 1 42 42 ASN CA C 42 51.901 51.901 54.760 -2.859 18118 197 1 . 1 1 42 42 ASN CB C 42 36.065 36.065 38.877 -2.812 18118 198 1 . 1 1 42 42 ASN H H 42 7.523 7.523 8.158 -0.635 18118 199 1 . 1 1 43 43 GLY N N 43 109.898 109.898 106.629 3.269 18118 200 1 . 1 1 43 43 GLY CA C 43 42.561 42.561 44.902 -2.341 18118 201 1 . 1 1 43 43 GLY H H 43 8.131 8.131 7.807 0.324 18118 202 1 . 1 1 44 44 ILE N N 44 119.116 119.116 122.375 -3.259 18118 203 1 . 1 1 44 44 ILE HA H 44 3.777 3.777 4.351 -0.574 18118 204 1 . 1 1 44 44 ILE CA C 44 58.280 58.280 62.332 -4.052 18118 205 1 . 1 1 44 44 ILE CB C 44 36.145 36.145 38.132 -1.987 18118 206 1 . 1 1 44 44 ILE H H 44 6.715 6.715 7.453 -0.738 18118 207 1 . 1 1 45 45 HIS N N 45 124.064 124.064 127.904 -3.840 18118 208 1 . 1 1 45 45 HIS HA H 45 4.883 4.883 4.745 0.138 18118 209 1 . 1 1 45 45 HIS CA C 45 49.681 49.681 55.016 -5.335 18118 210 1 . 1 1 45 45 HIS CB C 45 25.934 25.934 32.105 -6.171 18118 211 1 . 1 1 45 45 HIS H H 45 8.493 8.493 9.217 -0.724 18118 212 1 . 1 1 46 46 PHE N N 46 123.886 123.886 122.691 1.195 18118 213 1 . 1 1 46 46 PHE HA H 46 4.563 4.563 4.827 -0.264 18118 214 1 . 1 1 46 46 PHE CA C 46 57.122 57.122 56.246 0.876 18118 215 1 . 1 1 46 46 PHE CB C 46 36.299 36.299 39.749 -3.450 18118 216 1 . 1 1 46 46 PHE H H 46 9.014 9.014 7.903 1.111 18118 217 1 . 1 1 47 47 LEU N N 47 124.343 124.343 124.841 -0.498 18118 218 1 . 1 1 47 47 LEU HA H 47 4.504 4.504 4.472 0.033 18118 219 1 . 1 1 47 47 LEU CA C 47 51.885 51.885 54.227 -2.342 18118 220 1 . 1 1 47 47 LEU CB C 47 38.896 38.896 41.777 -2.881 18118 221 1 . 1 1 47 47 LEU H H 47 8.066 8.066 8.636 -0.570 18118 222 1 . 1 1 48 48 LEU N N 48 122.809 122.809 121.593 1.216 18118 223 1 . 1 1 48 48 LEU HA H 48 4.825 4.825 4.554 0.271 18118 224 1 . 1 1 48 48 LEU CA C 48 50.930 50.930 53.534 -2.604 18118 225 1 . 1 1 48 48 LEU CB C 48 41.655 41.655 44.677 -3.022 18118 226 1 . 1 1 48 48 LEU H H 48 8.754 8.754 7.878 0.876 18118 227 1 . 1 1 49 49 ASN N N 49 119.420 119.420 118.435 0.985 18118 228 1 . 1 1 49 49 ASN HA H 49 4.791 4.791 4.807 -0.016 18118 229 1 . 1 1 49 49 ASN CA C 49 48.595 48.595 52.850 -4.255 18118 230 1 . 1 1 49 49 ASN CB C 49 36.735 36.735 39.779 -3.044 18118 231 1 . 1 1 49 49 ASN H H 49 8.757 8.757 8.406 0.351 18118 232 1 . 1 1 50 50 ARG N N 50 119.367 119.367 119.554 -0.187 18118 233 1 . 1 1 50 50 ARG HA H 50 4.026 4.026 4.150 -0.123 18118 234 1 . 1 1 50 50 ARG CA C 50 55.918 55.918 58.331 -2.413 18118 235 1 . 1 1 50 50 ARG CB C 50 27.194 27.194 29.643 -2.449 18118 236 1 . 1 1 50 50 ARG H H 50 8.618 8.618 8.735 -0.116 18118 237 1 . 1 1 51 51 ASP N N 51 116.650 116.650 116.886 -0.236 18118 238 1 . 1 1 51 51 ASP HA H 51 4.585 4.585 4.734 -0.149 18118 239 1 . 1 1 51 51 ASP CA C 51 51.280 51.280 53.372 -2.092 18118 240 1 . 1 1 51 51 ASP CB C 51 38.544 38.544 41.152 -2.608 18118 241 1 . 1 1 51 51 ASP H H 51 7.577 7.577 7.848 -0.271 18118 242 1 . 1 1 52 52 GLY N N 52 107.719 107.719 108.599 -0.880 18118 243 1 . 1 1 52 52 GLY CA C 52 43.341 43.341 45.909 -2.568 18118 244 1 . 1 1 52 52 GLY H H 52 8.171 8.171 8.130 0.041 18118 245 1 . 1 1 53 53 LYS N N 53 119.174 119.174 118.803 0.371 18118 246 1 . 1 1 53 53 LYS HA H 53 4.419 4.419 4.472 -0.053 18118 247 1 . 1 1 53 53 LYS CA C 53 51.788 51.788 55.119 -3.331 18118 248 1 . 1 1 53 53 LYS CB C 53 30.976 30.976 31.851 -0.875 18118 249 1 . 1 1 53 53 LYS H H 53 7.750 7.750 8.038 -0.288 18118 250 1 . 1 1 54 54 ARG N N 54 121.126 121.126 121.312 -0.186 18118 251 1 . 1 1 54 54 ARG HA H 54 4.169 4.169 4.362 -0.193 18118 252 1 . 1 1 54 54 ARG CA C 54 54.949 54.949 56.975 -2.026 18118 253 1 . 1 1 54 54 ARG CB C 54 28.054 28.054 31.540 -3.486 18118 254 1 . 1 1 54 54 ARG H H 54 8.570 8.570 8.399 0.171 18118 255 1 . 1 1 55 55 ARG N N 55 121.856 121.856 117.659 4.197 18118 256 1 . 1 1 55 55 ARG HA H 55 4.041 4.041 4.546 -0.505 18118 257 1 . 1 1 55 55 ARG CA C 55 53.172 53.172 55.206 -2.034 18118 258 1 . 1 1 55 55 ARG CB C 55 29.692 29.692 32.266 -2.574 18118 259 1 . 1 1 55 55 ARG H H 55 8.352 8.352 8.132 0.220 18118 260 1 . 1 1 56 56 GLY N N 56 108.554 108.554 108.576 -0.022 18118 261 1 . 1 1 56 56 GLY CA C 56 43.461 43.461 44.926 -1.465 18118 262 1 . 1 1 56 56 GLY H H 56 8.683 8.683 8.617 0.066 18118 263 1 . 1 1 57 57 ASP N N 57 117.136 117.136 119.124 -1.988 18118 264 1 . 1 1 57 57 ASP HA H 57 5.757 5.757 5.409 0.348 18118 265 1 . 1 1 57 57 ASP CA C 57 49.244 49.244 52.670 -3.426 18118 266 1 . 1 1 57 57 ASP CB C 57 41.265 41.265 44.116 -2.851 18118 267 1 . 1 1 57 57 ASP H H 57 8.018 8.018 7.719 0.299 18118 268 1 . 1 1 58 58 ALA N N 58 122.425 122.425 120.557 1.868 18118 269 1 . 1 1 58 58 ALA HA H 58 5.105 5.105 4.931 0.174 18118 270 1 . 1 1 58 58 ALA CA C 58 48.358 48.358 51.111 -2.753 18118 271 1 . 1 1 58 58 ALA CB C 58 19.444 19.444 22.734 -3.290 18118 272 1 . 1 1 58 58 ALA H H 58 9.137 9.137 8.429 0.707 18118 273 1 . 1 1 59 59 LEU N N 59 121.454 121.454 120.500 0.954 18118 274 1 . 1 1 59 59 LEU HA H 59 5.247 5.247 5.262 -0.015 18118 275 1 . 1 1 59 59 LEU CA C 59 50.358 50.358 53.725 -3.367 18118 276 1 . 1 1 59 59 LEU CB C 59 42.166 42.166 45.519 -3.353 18118 277 1 . 1 1 59 59 LEU H H 59 8.604 8.604 8.662 -0.058 18118 278 1 . 1 1 60 60 ILE N N 60 123.974 123.974 121.864 2.111 18118 279 1 . 1 1 60 60 ILE HA H 60 4.838 4.838 4.707 0.131 18118 280 1 . 1 1 60 60 ILE CA C 60 57.384 57.384 58.696 -1.312 18118 281 1 . 1 1 60 60 ILE CB C 60 38.147 38.147 39.903 -1.756 18118 282 1 . 1 1 60 60 ILE H H 60 9.081 9.081 8.914 0.167 18118 283 1 . 1 1 61 61 GLU N N 61 126.177 126.177 126.697 -0.520 18118 284 1 . 1 1 61 61 GLU HA H 61 4.545 4.545 4.524 0.021 18118 285 1 . 1 1 61 61 GLU CA C 61 52.464 52.464 55.975 -3.511 18118 286 1 . 1 1 61 61 GLU CB C 61 29.517 29.517 30.398 -0.881 18118 287 1 . 1 1 61 61 GLU H H 61 8.832 8.832 8.687 0.145 18118 288 1 . 1 1 62 62 MET N N 62 121.191 121.191 126.052 -4.861 18118 289 1 . 1 1 62 62 MET HA H 62 5.131 5.131 4.551 0.580 18118 290 1 . 1 1 62 62 MET CA C 62 49.938 49.938 54.712 -4.774 18118 291 1 . 1 1 62 62 MET CB C 62 30.874 30.874 34.443 -3.569 18118 292 1 . 1 1 62 62 MET H H 62 8.854 8.854 8.333 0.521 18118 293 1 . 1 1 63 63 GLU N N 63 117.598 117.598 122.408 -4.810 18118 294 1 . 1 1 63 63 GLU HA H 63 4.071 4.071 4.222 -0.151 18118 295 1 . 1 1 63 63 GLU CA C 63 57.155 57.155 58.523 -1.368 18118 296 1 . 1 1 63 63 GLU CB C 63 28.080 28.080 30.640 -2.560 18118 297 1 . 1 1 63 63 GLU H H 63 8.092 8.092 8.655 -0.563 18118 298 1 . 1 1 64 64 SER N N 64 109.627 109.627 111.079 -1.452 18118 299 1 . 1 1 64 64 SER HA H 64 4.113 4.113 3.737 0.376 18118 300 1 . 1 1 64 64 SER CA C 64 54.607 54.607 56.600 -1.993 18118 301 1 . 1 1 64 64 SER CB C 64 65.273 65.273 65.723 -0.450 18118 302 1 . 1 1 64 64 SER H H 64 7.710 7.710 7.603 0.107 18118 303 1 . 1 1 65 65 GLU N N 65 121.394 121.394 122.184 -0.790 18118 304 1 . 1 1 65 65 GLU HA H 65 3.485 3.485 3.989 -0.504 18118 305 1 . 1 1 65 65 GLU CA C 65 56.100 56.100 60.118 -4.018 18118 306 1 . 1 1 65 65 GLU CB C 65 26.282 26.282 29.620 -3.338 18118 307 1 . 1 1 65 65 GLU H H 65 8.364 8.364 8.421 -0.057 18118 308 1 . 1 1 66 66 GLN N N 66 118.987 118.987 117.626 1.361 18118 309 1 . 1 1 66 66 GLN HA H 66 3.902 3.902 4.011 -0.109 18118 310 1 . 1 1 66 66 GLN CA C 66 56.438 56.438 59.162 -2.724 18118 311 1 . 1 1 66 66 GLN CB C 66 25.394 25.394 28.139 -2.745 18118 312 1 . 1 1 66 66 GLN H H 66 7.979 7.979 8.501 -0.522 18118 313 1 . 1 1 67 67 ASP N N 67 118.539 118.539 118.216 0.323 18118 314 1 . 1 1 67 67 ASP HA H 67 4.334 4.334 4.499 -0.165 18118 315 1 . 1 1 67 67 ASP CA C 67 55.727 55.727 56.742 -1.015 18118 316 1 . 1 1 67 67 ASP CB C 67 41.607 41.607 40.920 0.687 18118 317 1 . 1 1 67 67 ASP H H 67 7.325 7.325 7.826 -0.501 18118 318 1 . 1 1 68 68 VAL N N 68 119.502 119.502 121.022 -1.520 18118 319 1 . 1 1 68 68 VAL HA H 68 3.175 3.175 3.634 -0.459 18118 320 1 . 1 1 68 68 VAL CA C 68 64.830 64.830 65.789 -0.959 18118 321 1 . 1 1 68 68 VAL CB C 68 28.834 28.834 31.713 -2.879 18118 322 1 . 1 1 68 68 VAL H H 68 7.165 7.165 7.245 -0.080 18118 323 1 . 1 1 69 69 GLN N N 69 115.899 115.899 118.297 -2.398 18118 324 1 . 1 1 69 69 GLN HA H 69 3.734 3.734 3.959 -0.225 18118 325 1 . 1 1 69 69 GLN CA C 69 56.404 56.404 58.668 -2.264 18118 326 1 . 1 1 69 69 GLN CB C 69 25.212 25.212 27.982 -2.770 18118 327 1 . 1 1 69 69 GLN H H 69 7.718 7.718 8.229 -0.511 18118 328 1 . 1 1 70 70 LYS N N 70 118.403 118.403 118.247 0.156 18118 329 1 . 1 1 70 70 LYS HA H 70 3.928 3.928 4.072 -0.144 18118 330 1 . 1 1 70 70 LYS CA C 70 55.937 55.937 58.712 -2.775 18118 331 1 . 1 1 70 70 LYS CB C 70 29.946 29.946 31.861 -1.915 18118 332 1 . 1 1 70 70 LYS H H 70 7.767 7.767 7.662 0.105 18118 333 1 . 1 1 71 71 ALA N N 71 124.650 124.650 121.212 3.438 18118 334 1 . 1 1 71 71 ALA HA H 71 4.027 4.027 4.175 -0.148 18118 335 1 . 1 1 71 71 ALA CA C 71 52.743 52.743 54.436 -1.693 18118 336 1 . 1 1 71 71 ALA CB C 71 16.114 16.114 18.428 -2.314 18118 337 1 . 1 1 71 71 ALA H H 71 8.160 8.160 7.363 0.797 18118 338 1 . 1 1 72 72 LEU N N 72 116.557 116.557 119.136 -2.579 18118 339 1 . 1 1 72 72 LEU HA H 72 3.794 3.794 4.001 -0.207 18118 340 1 . 1 1 72 72 LEU CA C 72 54.664 54.664 57.358 -2.694 18118 341 1 . 1 1 72 72 LEU CB C 72 38.833 38.833 41.410 -2.577 18118 342 1 . 1 1 72 72 LEU H H 72 8.055 8.055 8.034 0.021 18118 343 1 . 1 1 73 73 GLU N N 73 117.807 117.807 118.738 -0.931 18118 344 1 . 1 1 73 73 GLU HA H 73 4.090 4.090 3.993 0.097 18118 345 1 . 1 1 73 73 GLU CA C 73 55.462 55.462 59.115 -3.653 18118 346 1 . 1 1 73 73 GLU CB C 73 26.806 26.806 29.202 -2.396 18118 347 1 . 1 1 73 73 GLU H H 73 7.369 7.369 7.997 -0.628 18118 348 1 . 1 1 74 74 LYS N N 74 116.715 116.715 116.502 0.213 18118 349 1 . 1 1 74 74 LYS HA H 74 4.192 4.192 4.431 -0.239 18118 350 1 . 1 1 74 74 LYS CA C 74 51.741 51.741 55.566 -3.825 18118 351 1 . 1 1 74 74 LYS CB C 74 28.464 28.464 31.579 -3.115 18118 352 1 . 1 1 74 74 LYS H H 74 7.805 7.805 7.656 0.149 18118 353 1 . 1 1 75 75 HIS N N 75 117.177 117.177 117.491 -0.314 18118 354 1 . 1 1 75 75 HIS HA H 75 4.328 4.328 4.474 -0.146 18118 355 1 . 1 1 75 75 HIS CA C 75 55.811 55.811 58.044 -2.233 18118 356 1 . 1 1 75 75 HIS CB C 75 29.583 29.583 29.374 0.209 18118 357 1 . 1 1 75 75 HIS H H 75 7.184 7.184 8.110 -0.926 18118 358 1 . 1 1 76 76 ARG N N 76 121.753 121.753 117.327 4.426 18118 359 1 . 1 1 76 76 ARG HA H 76 4.306 4.306 4.344 -0.038 18118 360 1 . 1 1 76 76 ARG CA C 76 55.719 55.719 55.710 0.009 18118 361 1 . 1 1 76 76 ARG CB C 76 33.288 33.288 30.487 2.801 18118 362 1 . 1 1 76 76 ARG H H 76 9.042 9.042 8.069 0.973 18118 363 1 . 1 1 77 77 MET N N 77 117.206 117.206 119.371 -2.165 18118 364 1 . 1 1 77 77 MET HA H 77 4.598 4.598 4.627 -0.029 18118 365 1 . 1 1 77 77 MET CA C 77 52.590 52.590 55.288 -2.698 18118 366 1 . 1 1 77 77 MET CB C 77 31.234 31.234 33.993 -2.759 18118 367 1 . 1 1 77 77 MET H H 77 7.835 7.835 7.886 -0.051 18118 368 1 . 1 1 78 78 TYR N N 78 117.960 117.960 117.136 0.824 18118 369 1 . 1 1 78 78 TYR HA H 78 4.602 4.602 4.758 -0.156 18118 370 1 . 1 1 78 78 TYR CA C 78 56.028 56.028 56.635 -0.607 18118 371 1 . 1 1 78 78 TYR CB C 78 37.334 37.334 40.524 -3.190 18118 372 1 . 1 1 78 78 TYR H H 78 8.359 8.359 8.304 0.055 18118 373 1 . 1 1 79 79 MET N N 79 124.673 124.673 121.059 3.614 18118 374 1 . 1 1 79 79 MET HA H 79 4.325 4.325 4.584 -0.259 18118 375 1 . 1 1 79 79 MET CA C 79 52.338 52.338 54.715 -2.377 18118 376 1 . 1 1 79 79 MET CB C 79 31.907 31.907 34.140 -2.233 18118 377 1 . 1 1 79 79 MET H H 79 8.642 8.642 8.408 0.234 18118 378 1 . 1 1 80 80 GLY N N 80 115.191 115.191 111.463 3.728 18118 379 1 . 1 1 80 80 GLY CA C 80 44.426 44.426 46.614 -2.188 18118 380 1 . 1 1 80 80 GLY H H 80 8.709 8.709 8.523 0.186 18118 381 1 . 1 1 81 81 GLN N N 81 121.981 121.981 120.612 1.369 18118 382 1 . 1 1 81 81 GLN HA H 81 4.147 4.147 4.509 -0.362 18118 383 1 . 1 1 81 81 GLN CA C 81 53.557 53.557 55.410 -1.853 18118 384 1 . 1 1 81 81 GLN CB C 81 26.736 26.736 29.711 -2.974 18118 385 1 . 1 1 81 81 GLN H H 81 8.598 8.598 8.252 0.346 18118 386 1 . 1 1 82 82 ARG N N 82 118.652 118.652 120.107 -1.455 18118 387 1 . 1 1 82 82 ARG HA H 82 4.500 4.500 4.579 -0.079 18118 388 1 . 1 1 82 82 ARG CA C 82 51.593 51.593 54.812 -3.219 18118 389 1 . 1 1 82 82 ARG CB C 82 29.507 29.507 32.887 -3.380 18118 390 1 . 1 1 82 82 ARG H H 82 7.660 7.660 7.791 -0.131 18118 391 1 . 1 1 84 84 VAL N N 84 125.216 125.216 121.665 3.551 18118 392 1 . 1 1 84 84 VAL HA H 84 4.318 4.318 4.396 -0.078 18118 393 1 . 1 1 84 84 VAL CA C 84 58.647 58.647 60.796 -2.149 18118 394 1 . 1 1 84 84 VAL CB C 84 31.015 31.015 34.067 -3.052 18118 395 1 . 1 1 84 84 VAL H H 84 8.222 8.222 8.107 0.115 18118 396 1 . 1 1 86 86 VAL N N 86 120.000 120.000 123.176 -3.176 18118 397 1 . 1 1 86 86 VAL HA H 86 4.807 4.807 4.936 -0.129 18118 398 1 . 1 1 86 86 VAL CA C 86 58.928 58.928 60.959 -2.031 18118 399 1 . 1 1 86 86 VAL CB C 86 33.201 33.201 34.092 -0.891 18118 400 1 . 1 1 87 87 TYR N N 87 120.377 120.377 125.519 -5.142 18118 401 1 . 1 1 87 87 TYR HA H 87 4.624 4.624 4.840 -0.216 18118 402 1 . 1 1 87 87 TYR CA C 87 53.444 53.444 56.748 -3.304 18118 403 1 . 1 1 87 87 TYR CB C 87 40.105 40.105 43.131 -3.026 18118 404 1 . 1 1 87 87 TYR H H 87 8.731 8.731 8.709 0.022 18118 405 1 . 1 1 88 88 GLU N N 88 122.304 122.304 121.712 0.592 18118 406 1 . 1 1 88 88 GLU HA H 88 4.350 4.350 4.545 -0.195 18118 407 1 . 1 1 88 88 GLU CA C 88 53.640 53.640 56.142 -2.502 18118 408 1 . 1 1 88 88 GLU CB C 88 28.430 28.430 30.737 -2.307 18118 409 1 . 1 1 88 88 GLU H H 88 8.873 8.873 8.672 0.201 18118 410 1 . 1 1 89 89 ILE N N 89 125.082 125.082 121.814 3.268 18118 411 1 . 1 1 89 89 ILE HA H 89 4.258 4.258 4.265 -0.007 18118 412 1 . 1 1 89 89 ILE CA C 89 55.831 55.831 59.431 -3.600 18118 413 1 . 1 1 89 89 ILE CB C 89 34.985 34.985 38.477 -3.492 18118 414 1 . 1 1 89 89 ILE H H 89 7.983 7.983 8.147 -0.164 18118 415 1 . 1 1 90 90 ASN N N 90 126.142 126.142 121.966 4.176 18118 416 1 . 1 1 90 90 ASN HA H 90 4.591 4.591 4.836 -0.245 18118 417 1 . 1 1 90 90 ASN CA C 90 50.615 50.615 52.401 -1.786 18118 418 1 . 1 1 90 90 ASN CB C 90 36.638 36.638 40.364 -3.726 18118 419 1 . 1 1 90 90 ASN H H 90 8.890 8.890 8.463 0.427 18118 420 1 . 1 1 91 91 ASN N N 91 121.333 121.333 121.294 0.039 18118 421 1 . 1 1 91 91 ASN HA H 91 4.296 4.296 4.327 -0.031 18118 422 1 . 1 1 91 91 ASN CA C 91 53.950 53.950 56.165 -2.215 18118 423 1 . 1 1 91 91 ASN CB C 91 36.305 36.305 38.235 -1.930 18118 424 1 . 1 1 91 91 ASN H H 91 8.867 8.867 8.996 -0.129 18118 425 1 . 1 1 92 92 GLU N N 92 117.848 117.848 117.861 -0.013 18118 426 1 . 1 1 92 92 GLU HA H 92 4.092 4.092 4.058 0.034 18118 427 1 . 1 1 92 92 GLU CA C 92 55.551 55.551 58.777 -3.226 18118 428 1 . 1 1 92 92 GLU CB C 92 26.767 26.767 29.049 -2.282 18118 429 1 . 1 1 92 92 GLU H H 92 8.869 8.869 8.556 0.313 18118 430 1 . 1 1 93 93 ASP N N 93 118.819 118.819 117.554 1.265 18118 431 1 . 1 1 93 93 ASP HA H 93 4.652 4.652 4.830 -0.178 18118 432 1 . 1 1 93 93 ASP CA C 93 52.137 52.137 54.334 -2.197 18118 433 1 . 1 1 93 93 ASP CB C 93 39.522 39.522 41.909 -2.387 18118 434 1 . 1 1 93 93 ASP H H 93 7.965 7.965 8.021 -0.056 18118 435 1 . 1 1 94 94 VAL N N 94 120.480 120.480 120.468 0.012 18118 436 1 . 1 1 94 94 VAL HA H 94 3.274 3.274 3.777 -0.503 18118 437 1 . 1 1 94 94 VAL CA C 94 64.179 64.179 65.819 -1.640 18118 438 1 . 1 1 94 94 VAL CB C 94 29.477 29.477 32.428 -2.950 18118 439 1 . 1 1 94 94 VAL H H 94 7.406 7.406 7.595 -0.189 18118 440 1 . 1 1 95 95 ASP N N 95 119.806 119.806 120.254 -0.448 18118 441 1 . 1 1 95 95 ASP HA H 95 4.155 4.155 4.274 -0.119 18118 442 1 . 1 1 95 95 ASP CA C 95 55.216 55.216 57.828 -2.612 18118 443 1 . 1 1 95 95 ASP CB C 95 38.627 38.627 40.532 -1.905 18118 444 1 . 1 1 95 95 ASP H H 95 8.342 8.342 7.808 0.534 18118 445 1 . 1 1 96 96 ALA N N 96 119.946 119.946 121.083 -1.137 18118 446 1 . 1 1 96 96 ALA HA H 96 3.926 3.926 4.208 -0.282 18118 447 1 . 1 1 96 96 ALA CA C 96 52.140 52.140 54.288 -2.148 18118 448 1 . 1 1 96 96 ALA CB C 96 15.676 15.676 18.603 -2.927 18118 449 1 . 1 1 96 96 ALA H H 96 8.162 8.162 8.116 0.046 18118 450 1 . 1 1 97 97 LEU N N 97 119.391 119.391 119.947 -0.556 18118 451 1 . 1 1 97 97 LEU HA H 97 3.985 3.985 3.936 0.049 18118 452 1 . 1 1 97 97 LEU CA C 97 54.831 54.831 57.749 -2.918 18118 453 1 . 1 1 97 97 LEU CB C 97 39.438 39.438 41.814 -2.376 18118 454 1 . 1 1 97 97 LEU H H 97 7.679 7.679 7.751 -0.072 18118 455 1 . 1 1 98 98 MET N N 98 118.055 118.055 115.893 2.162 18118 456 1 . 1 1 98 98 MET HA H 98 4.128 4.128 4.093 0.035 18118 457 1 . 1 1 98 98 MET CA C 98 54.606 54.606 58.248 -3.642 18118 458 1 . 1 1 98 98 MET CB C 98 27.902 27.902 31.808 -3.906 18118 459 1 . 1 1 98 98 MET H H 98 8.504 8.504 7.984 0.520 18118 460 1 . 1 1 99 99 LYS N N 99 119.351 119.351 118.215 1.135 18118 461 1 . 1 1 99 99 LYS HA H 99 3.971 3.971 4.172 -0.201 18118 462 1 . 1 1 99 99 LYS CA C 99 56.301 56.301 58.215 -1.914 18118 463 1 . 1 1 99 99 LYS CB C 99 29.692 29.692 32.004 -2.312 18118 464 1 . 1 1 99 99 LYS H H 99 7.986 7.986 7.719 0.267 18118 465 1 . 1 1 100 100 SER N N 100 114.964 114.964 115.249 -0.285 18118 466 1 . 1 1 100 100 SER HA H 100 4.268 4.268 4.288 -0.020 18118 467 1 . 1 1 100 100 SER CA C 100 57.764 57.764 60.718 -2.954 18118 468 1 . 1 1 100 100 SER CB C 100 60.753 60.753 63.276 -2.523 18118 469 1 . 1 1 100 100 SER H H 100 7.711 7.711 7.880 -0.169 18118 470 1 . 1 1 101 101 LEU N N 101 120.679 120.679 119.272 1.407 18118 471 1 . 1 1 101 101 LEU HA H 101 4.160 4.160 4.442 -0.282 18118 472 1 . 1 1 101 101 LEU CA C 101 52.893 52.893 54.546 -1.653 18118 473 1 . 1 1 101 101 LEU CB C 101 39.541 39.541 41.945 -2.404 18118 474 1 . 1 1 101 101 LEU H H 101 7.405 7.405 7.488 -0.083 18118 475 1 . 1 1 102 102 GLN N N 102 117.646 117.646 119.779 -2.133 18118 476 1 . 1 1 102 102 GLN HA H 102 4.195 4.195 4.310 -0.115 18118 477 1 . 1 1 102 102 GLN CA C 102 53.360 53.360 55.813 -2.453 18118 478 1 . 1 1 102 102 GLN CB C 102 26.480 26.480 27.375 -0.895 18118 479 1 . 1 1 102 102 GLN H H 102 7.588 7.588 8.070 -0.482 18118 480 1 . 1 1 103 103 VAL N N 103 120.269 120.269 121.280 -1.011 18118 481 1 . 1 1 103 103 VAL HA H 103 4.015 4.015 4.167 -0.152 18118 482 1 . 1 1 103 103 VAL CA C 103 59.755 59.755 62.208 -2.453 18118 483 1 . 1 1 103 103 VAL CB C 103 30.579 30.579 31.065 -0.486 18118 484 1 . 1 1 103 103 VAL H H 103 7.839 7.839 7.762 0.077 18118 485 1 . 1 1 104 104 LYS N N 104 125.201 125.201 125.420 -0.219 18118 486 1 . 1 1 104 104 LYS HA H 104 4.343 4.343 4.508 -0.165 18118 487 1 . 1 1 104 104 LYS CA C 104 53.348 53.348 55.971 -2.623 18118 488 1 . 1 1 104 104 LYS CB C 104 30.634 30.634 33.389 -2.755 18118 489 1 . 1 1 104 104 LYS H H 104 8.364 8.364 8.076 0.288 18118 490 1 . 1 1 105 105 SER N N 105 117.664 117.664 118.087 -0.423 18118 491 1 . 1 1 105 105 SER HA H 105 4.401 4.401 4.656 -0.255 18118 492 1 . 1 1 105 105 SER CA C 105 55.611 55.611 58.174 -2.563 18118 493 1 . 1 1 105 105 SER CB C 105 61.286 61.286 63.811 -2.525 18118 494 1 . 1 1 105 105 SER H H 105 8.354 8.354 8.413 -0.059 18118 stop_ save_