data_25451 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25451 _Entry.PDB_ID 2MYG 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 25451 _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 5 5 SER HA H 5 4.492 4.492 4.753 -0.261 25451 2 1 1 . 1 1 5 5 SER C C 5 176.496 176.496 175.252 1.244 25451 3 1 1 . 1 1 5 5 SER CA C 5 59.422 59.422 56.102 3.320 25451 4 1 1 . 1 1 5 5 SER CB C 5 64.100 64.100 65.374 -1.274 25451 5 1 1 . 1 1 6 6 ILE N N 6 120.626 120.626 116.121 4.505 25451 6 1 1 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.884 -0.073 25451 7 1 1 . 1 1 6 6 ILE C C 6 176.952 176.952 176.925 0.027 25451 8 1 1 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.539 0.561 25451 9 1 1 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.455 -0.045 25451 10 1 1 . 1 1 6 6 ILE H H 6 9.168 9.168 8.505 0.663 25451 11 1 1 . 1 1 7 7 ALA N N 7 122.320 122.320 122.508 -0.188 25451 12 1 1 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.894 0.000 25451 13 1 1 . 1 1 7 7 ALA C C 7 179.837 179.837 179.826 0.011 25451 14 1 1 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.982 0.221 25451 15 1 1 . 1 1 7 7 ALA CB C 7 18.148 18.148 18.525 -0.377 25451 16 1 1 . 1 1 7 7 ALA H H 7 7.882 7.882 7.602 0.280 25451 17 1 1 . 1 1 8 8 SER N N 8 110.329 110.329 114.350 -4.021 25451 18 1 1 . 1 1 8 8 SER HA H 8 4.227 4.227 4.201 0.026 25451 19 1 1 . 1 1 8 8 SER C C 8 177.409 177.409 176.821 0.588 25451 20 1 1 . 1 1 8 8 SER CA C 8 60.156 60.156 61.296 -1.140 25451 21 1 1 . 1 1 8 8 SER CB C 8 62.908 62.908 62.987 -0.079 25451 22 1 1 . 1 1 8 8 SER H H 8 7.647 7.647 7.637 0.010 25451 23 1 1 . 1 1 9 9 MET N N 9 122.133 122.133 122.391 -0.258 25451 24 1 1 . 1 1 9 9 MET HA H 9 4.127 4.127 4.167 -0.040 25451 25 1 1 . 1 1 9 9 MET C C 9 180.841 180.841 178.603 2.238 25451 26 1 1 . 1 1 9 9 MET CA C 9 59.147 59.147 58.617 0.530 25451 27 1 1 . 1 1 9 9 MET CB C 9 35.025 35.025 32.373 2.652 25451 28 1 1 . 1 1 9 9 MET H H 9 7.787 7.787 7.369 0.418 25451 29 1 1 . 1 1 10 10 ILE N N 10 115.009 115.009 119.035 -4.026 25451 30 1 1 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.687 0.075 25451 31 1 1 . 1 1 10 10 ILE C C 10 174.981 174.981 177.719 -2.738 25451 32 1 1 . 1 1 10 10 ILE CA C 10 65.293 65.293 62.809 2.484 25451 33 1 1 . 1 1 10 10 ILE CB C 10 37.776 37.776 35.958 1.818 25451 34 1 1 . 1 1 10 10 ILE H H 10 8.315 8.315 7.976 0.339 25451 35 1 1 . 1 1 11 11 LYS N N 11 117.153 117.153 118.820 -1.667 25451 36 1 1 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.362 0.147 25451 37 1 1 . 1 1 11 11 LYS C C 11 177.774 177.774 178.017 -0.243 25451 38 1 1 . 1 1 11 11 LYS CA C 11 55.479 55.479 56.783 -1.304 25451 39 1 1 . 1 1 11 11 LYS CB C 11 32.273 32.273 31.578 0.695 25451 40 1 1 . 1 1 11 11 LYS H H 11 6.877 6.877 7.617 -0.740 25451 41 1 1 . 1 1 12 12 GLY N N 12 106.134 106.134 107.375 -1.241 25451 42 1 1 . 1 1 12 12 GLY C C 12 172.553 172.553 174.681 -2.128 25451 43 1 1 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.494 0.812 25451 44 1 1 . 1 1 12 12 GLY H H 12 7.757 7.757 7.949 -0.192 25451 45 1 1 . 1 1 13 13 ASN N N 13 115.402 115.402 116.330 -0.928 25451 46 1 1 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.874 -0.282 25451 47 1 1 . 1 1 13 13 ASN C C 13 174.068 174.068 174.374 -0.306 25451 48 1 1 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.516 -2.357 25451 49 1 1 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.405 -0.510 25451 50 1 1 . 1 1 13 13 ASN H H 13 7.214 7.214 7.385 -0.171 25451 51 1 1 . 1 1 14 14 LYS N N 14 122.033 122.033 121.781 0.252 25451 52 1 1 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.308 -0.239 25451 53 1 1 . 1 1 14 14 LYS C C 14 176.533 176.533 176.083 0.450 25451 54 1 1 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.691 1.282 25451 55 1 1 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.346 -1.806 25451 56 1 1 . 1 1 14 14 LYS H H 14 8.351 8.351 8.589 -0.238 25451 57 1 1 . 1 1 15 15 VAL N N 15 117.450 117.450 117.390 0.060 25451 58 1 1 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.093 -0.069 25451 59 1 1 . 1 1 15 15 VAL C C 15 174.543 174.543 174.512 0.031 25451 60 1 1 . 1 1 15 15 VAL CA C 15 60.340 60.340 59.894 0.446 25451 61 1 1 . 1 1 15 15 VAL CB C 15 32.732 32.732 34.270 -1.538 25451 62 1 1 . 1 1 15 15 VAL H H 15 8.021 8.021 7.731 0.290 25451 63 1 1 . 1 1 16 16 VAL N N 16 128.604 128.604 127.213 1.391 25451 64 1 1 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.169 -0.278 25451 65 1 1 . 1 1 16 16 VAL C C 16 173.922 173.922 174.603 -0.681 25451 66 1 1 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.110 1.239 25451 67 1 1 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.198 0.010 25451 68 1 1 . 1 1 16 16 VAL H H 16 8.909 8.909 9.047 -0.138 25451 69 1 1 . 1 1 17 17 VAL N N 17 126.814 126.814 125.131 1.683 25451 70 1 1 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.030 -0.015 25451 71 1 1 . 1 1 17 17 VAL C C 17 173.593 173.593 174.461 -0.868 25451 72 1 1 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.523 -0.642 25451 73 1 1 . 1 1 17 17 VAL CB C 17 35.483 35.483 36.278 -0.795 25451 74 1 1 . 1 1 17 17 VAL H H 17 8.359 8.359 8.754 -0.395 25451 75 1 1 . 1 1 18 18 PHE N N 18 125.697 125.697 123.796 1.901 25451 76 1 1 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.430 -0.016 25451 77 1 1 . 1 1 18 18 PHE C C 18 175.364 175.364 175.469 -0.105 25451 78 1 1 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.558 0.571 25451 79 1 1 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.961 -2.625 25451 80 1 1 . 1 1 18 18 PHE H H 18 9.015 9.015 8.524 0.491 25451 81 1 1 . 1 1 19 19 SER N N 19 120.570 120.570 115.973 4.597 25451 82 1 1 . 1 1 19 19 SER HA H 19 5.215 5.215 5.039 0.176 25451 83 1 1 . 1 1 19 19 SER C C 19 173.539 173.539 173.255 0.284 25451 84 1 1 . 1 1 19 19 SER CA C 19 57.863 57.863 57.286 0.577 25451 85 1 1 . 1 1 19 19 SER CB C 19 69.512 69.512 66.689 2.823 25451 86 1 1 . 1 1 19 19 SER H H 19 9.137 9.137 8.838 0.299 25451 87 1 1 . 1 1 20 20 TRP N N 20 122.520 122.520 123.138 -0.618 25451 88 1 1 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.002 0.943 25451 89 1 1 . 1 1 20 20 TRP C C 20 178.030 178.030 175.399 2.631 25451 90 1 1 . 1 1 20 20 TRP CA C 20 54.011 54.011 56.549 -2.538 25451 91 1 1 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.391 1.799 25451 92 1 1 . 1 1 20 20 TRP H H 20 8.520 8.520 8.438 0.082 25451 93 1 1 . 1 1 21 21 VAL N N 21 124.864 124.864 123.009 1.855 25451 94 1 1 . 1 1 21 21 VAL C C 21 177.208 177.208 176.328 0.880 25451 95 1 1 . 1 1 21 21 VAL CA C 21 65.384 65.384 61.070 4.314 25451 96 1 1 . 1 1 21 21 VAL CB C 21 32.273 32.273 32.182 0.091 25451 97 1 1 . 1 1 21 21 VAL H H 21 9.956 9.956 8.041 1.915 25451 98 1 1 . 1 1 22 22 THR HA H 22 4.542 4.542 4.573 -0.031 25451 99 1 1 . 1 1 22 22 THR C C 22 174.269 174.269 173.534 0.735 25451 100 1 1 . 1 1 22 22 THR CA C 22 60.982 60.982 62.089 -1.107 25451 101 1 1 . 1 1 22 22 THR CB C 22 69.237 69.237 69.459 -0.222 25451 102 1 1 . 1 1 23 23 CYS N N 23 127.689 127.689 125.617 2.072 25451 103 1 1 . 1 1 23 23 CYS C C 23 175.054 175.054 173.447 1.607 25451 104 1 1 . 1 1 23 23 CYS CA C 23 56.396 56.396 55.727 0.668 25451 105 1 1 . 1 1 23 23 CYS CB C 23 32.273 32.273 30.199 2.074 25451 106 1 1 . 1 1 23 23 CYS H H 23 7.013 7.013 8.430 -1.417 25451 107 1 1 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.351 -0.050 25451 108 1 1 . 1 1 24 24 PRO C C 24 180.202 180.202 177.029 3.173 25451 109 1 1 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.494 -0.027 25451 110 1 1 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.442 0.740 25451 111 1 1 . 1 1 25 25 TYR N N 25 126.810 126.810 117.765 9.045 25451 112 1 1 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.554 -0.244 25451 113 1 1 . 1 1 25 25 TYR C C 25 178.632 178.632 178.007 0.625 25451 114 1 1 . 1 1 25 25 TYR CA C 25 61.715 61.715 59.794 1.921 25451 115 1 1 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.288 0.487 25451 116 1 1 . 1 1 25 25 TYR H H 25 9.569 9.569 7.271 2.298 25451 117 1 1 . 1 1 26 26 CYS N N 26 127.984 127.984 119.028 8.956 25451 118 1 1 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.233 -0.214 25451 119 1 1 . 1 1 26 26 CYS C C 26 176.642 176.642 177.083 -0.441 25451 120 1 1 . 1 1 26 26 CYS CA C 26 64.559 64.559 63.876 0.683 25451 121 1 1 . 1 1 26 26 CYS CB C 26 28.238 28.238 27.020 1.218 25451 122 1 1 . 1 1 26 26 CYS H H 26 9.239 9.239 8.091 1.148 25451 123 1 1 . 1 1 27 27 VAL N N 27 121.054 121.054 120.747 0.307 25451 124 1 1 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.653 -0.066 25451 125 1 1 . 1 1 27 27 VAL C C 27 178.614 178.614 176.682 1.932 25451 126 1 1 . 1 1 27 27 VAL CA C 27 66.760 66.760 67.148 -0.388 25451 127 1 1 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.851 0.239 25451 128 1 1 . 1 1 27 27 VAL H H 27 8.402 8.402 7.695 0.707 25451 129 1 1 . 1 1 28 28 ARG N N 28 119.686 119.686 118.845 0.841 25451 130 1 1 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.944 0.017 25451 131 1 1 . 1 1 28 28 ARG C C 28 178.742 178.742 178.378 0.364 25451 132 1 1 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.614 -0.008 25451 133 1 1 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.767 0.855 25451 134 1 1 . 1 1 28 28 ARG H H 28 7.655 7.655 8.163 -0.508 25451 135 1 1 . 1 1 29 29 ALA N N 29 122.324 122.324 122.366 -0.042 25451 136 1 1 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.034 -0.023 25451 137 1 1 . 1 1 29 29 ALA C C 29 178.906 178.906 179.387 -0.481 25451 138 1 1 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.144 -0.032 25451 139 1 1 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.431 0.176 25451 140 1 1 . 1 1 29 29 ALA H H 29 8.175 8.175 7.990 0.185 25451 141 1 1 . 1 1 30 30 GLU N N 30 117.151 117.151 118.437 -1.286 25451 142 1 1 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.942 -0.405 25451 143 1 1 . 1 1 30 30 GLU C C 30 178.030 178.030 179.180 -1.150 25451 144 1 1 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.587 1.028 25451 145 1 1 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.535 -0.013 25451 146 1 1 . 1 1 30 30 GLU H H 30 8.689 8.689 8.563 0.126 25451 147 1 1 . 1 1 31 31 LYS N N 31 119.597 119.597 120.141 -0.544 25451 148 1 1 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.111 -0.075 25451 149 1 1 . 1 1 31 31 LYS C C 31 179.746 179.746 179.054 0.692 25451 150 1 1 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.406 0.383 25451 151 1 1 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.666 -0.118 25451 152 1 1 . 1 1 31 31 LYS H H 31 8.359 8.359 8.065 0.294 25451 153 1 1 . 1 1 32 32 LEU N N 32 121.147 121.147 121.190 -0.043 25451 154 1 1 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.071 -0.019 25451 155 1 1 . 1 1 32 32 LEU C C 32 179.198 179.198 178.723 0.475 25451 156 1 1 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.641 0.864 25451 157 1 1 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.689 0.490 25451 158 1 1 . 1 1 32 32 LEU H H 32 7.610 7.610 7.782 -0.172 25451 159 1 1 . 1 1 33 33 LEU N N 33 118.120 118.120 119.082 -0.962 25451 160 1 1 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.711 0.051 25451 161 1 1 . 1 1 33 33 LEU C C 33 179.234 179.234 178.749 0.485 25451 162 1 1 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.672 -0.258 25451 163 1 1 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.341 1.113 25451 164 1 1 . 1 1 33 33 LEU H H 33 7.904 7.904 8.660 -0.756 25451 165 1 1 . 1 1 34 34 HIS N N 34 117.939 117.939 117.650 0.289 25451 166 1 1 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.338 0.295 25451 167 1 1 . 1 1 34 34 HIS C C 34 176.879 176.879 178.066 -1.187 25451 168 1 1 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.870 -0.447 25451 169 1 1 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.815 0.257 25451 170 1 1 . 1 1 34 34 HIS H H 34 8.876 8.876 7.745 1.131 25451 171 1 1 . 1 1 35 35 ALA N N 35 118.133 118.133 121.911 -3.778 25451 172 1 1 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.203 0.082 25451 173 1 1 . 1 1 35 35 ALA C C 35 178.395 178.395 178.834 -0.439 25451 174 1 1 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.502 -1.317 25451 175 1 1 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.848 -0.333 25451 176 1 1 . 1 1 35 35 ALA H H 35 7.229 7.229 8.203 -0.974 25451 177 1 1 . 1 1 36 36 ARG N N 36 115.692 115.692 115.261 0.431 25451 178 1 1 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.657 -0.215 25451 179 1 1 . 1 1 36 36 ARG C C 36 175.693 175.693 175.606 0.087 25451 180 1 1 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.319 0.426 25451 181 1 1 . 1 1 36 36 ARG CB C 36 32.548 32.548 29.729 2.819 25451 182 1 1 . 1 1 36 36 ARG H H 36 7.647 7.647 7.944 -0.297 25451 183 1 1 . 1 1 37 37 THR N N 37 114.964 114.964 110.209 4.755 25451 184 1 1 . 1 1 37 37 THR HA H 37 4.651 4.651 3.794 0.857 25451 185 1 1 . 1 1 37 37 THR C C 37 170.636 170.636 173.668 -3.032 25451 186 1 1 . 1 1 37 37 THR CA C 37 60.523 60.523 63.353 -2.830 25451 187 1 1 . 1 1 37 37 THR CB C 37 68.870 68.870 66.891 1.979 25451 188 1 1 . 1 1 37 37 THR H H 37 8.087 8.087 7.831 0.256 25451 189 1 1 . 1 1 38 38 LYS N N 38 121.835 121.835 122.032 -0.197 25451 190 1 1 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.147 0.520 25451 191 1 1 . 1 1 38 38 LYS C C 38 178.139 178.139 175.598 2.541 25451 192 1 1 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.757 -0.462 25451 193 1 1 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.467 0.265 25451 194 1 1 . 1 1 38 38 LYS H H 38 8.299 8.299 8.022 0.277 25451 195 1 1 . 1 1 39 39 ASP N N 39 128.517 128.517 126.325 2.192 25451 196 1 1 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.474 0.409 25451 197 1 1 . 1 1 39 39 ASP C C 39 172.754 172.754 174.843 -2.089 25451 198 1 1 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.535 -0.432 25451 199 1 1 . 1 1 39 39 ASP CB C 39 40.987 40.987 41.073 -0.086 25451 200 1 1 . 1 1 39 39 ASP H H 39 8.823 8.823 8.379 0.444 25451 201 1 1 . 1 1 40 40 ILE N N 40 116.959 116.959 125.064 -8.105 25451 202 1 1 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.749 0.524 25451 203 1 1 . 1 1 40 40 ILE C C 40 174.470 174.470 174.752 -0.282 25451 204 1 1 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.103 -2.065 25451 205 1 1 . 1 1 40 40 ILE CB C 40 41.720 41.720 40.973 0.747 25451 206 1 1 . 1 1 40 40 ILE H H 40 7.273 7.273 7.544 -0.271 25451 207 1 1 . 1 1 41 41 THR N N 41 125.545 125.545 124.816 0.729 25451 208 1 1 . 1 1 41 41 THR HA H 41 4.260 4.260 4.725 -0.465 25451 209 1 1 . 1 1 41 41 THR C C 41 171.476 171.476 172.295 -0.819 25451 210 1 1 . 1 1 41 41 THR CA C 41 61.807 61.807 61.603 0.204 25451 211 1 1 . 1 1 41 41 THR CB C 41 72.172 72.172 71.339 0.833 25451 212 1 1 . 1 1 41 41 THR H H 41 8.564 8.564 8.605 -0.041 25451 213 1 1 . 1 1 42 42 VAL N N 42 126.913 126.913 125.413 1.500 25451 214 1 1 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.712 -0.469 25451 215 1 1 . 1 1 42 42 VAL C C 42 174.086 174.086 174.067 0.019 25451 216 1 1 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.349 0.899 25451 217 1 1 . 1 1 42 42 VAL CB C 42 32.824 32.824 34.273 -1.449 25451 218 1 1 . 1 1 42 42 VAL H H 42 8.271 8.271 8.414 -0.143 25451 219 1 1 . 1 1 43 43 HIS N N 43 127.392 127.392 128.635 -1.243 25451 220 1 1 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.758 -0.191 25451 221 1 1 . 1 1 43 43 HIS C C 43 174.543 174.543 173.622 0.921 25451 222 1 1 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.081 0.022 25451 223 1 1 . 1 1 43 43 HIS CB C 43 31.815 31.815 32.361 -0.546 25451 224 1 1 . 1 1 43 43 HIS H H 43 8.829 8.829 8.852 -0.023 25451 225 1 1 . 1 1 44 44 TYR N N 44 126.221 126.221 127.640 -1.419 25451 226 1 1 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.942 0.264 25451 227 1 1 . 1 1 44 44 TYR C C 44 177.865 177.865 176.399 1.466 25451 228 1 1 . 1 1 44 44 TYR CA C 44 57.313 57.313 56.297 1.016 25451 229 1 1 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.272 -1.422 25451 230 1 1 . 1 1 44 44 TYR H H 44 8.938 8.938 8.652 0.286 25451 231 1 1 . 1 1 45 45 VAL N N 45 120.086 120.086 120.497 -0.411 25451 232 1 1 . 1 1 45 45 VAL HA H 45 4.351 4.351 4.187 0.164 25451 233 1 1 . 1 1 45 45 VAL C C 45 176.952 176.952 176.927 0.025 25451 234 1 1 . 1 1 45 45 VAL CA C 45 63.917 63.917 63.694 0.223 25451 235 1 1 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.206 0.058 25451 236 1 1 . 1 1 45 45 VAL H H 45 9.037 9.037 8.386 0.651 25451 237 1 1 . 1 1 46 46 ASP N N 46 118.427 118.427 121.196 -2.769 25451 238 1 1 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.342 0.067 25451 239 1 1 . 1 1 46 46 ASP C C 46 176.989 176.989 177.023 -0.034 25451 240 1 1 . 1 1 46 46 ASP CA C 46 54.745 54.745 56.135 -1.390 25451 241 1 1 . 1 1 46 46 ASP CB C 46 36.859 36.859 41.275 -4.416 25451 242 1 1 . 1 1 46 46 ASP H H 46 10.711 10.711 8.212 2.499 25451 243 1 1 . 1 1 47 47 LYS N N 47 119.396 119.396 118.149 1.247 25451 244 1 1 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.184 0.358 25451 245 1 1 . 1 1 47 47 LYS C C 47 176.350 176.350 177.404 -1.054 25451 246 1 1 . 1 1 47 47 LYS CA C 47 55.020 55.020 56.988 -1.968 25451 247 1 1 . 1 1 47 47 LYS CB C 47 32.640 32.640 32.987 -0.347 25451 248 1 1 . 1 1 47 47 LYS H H 47 7.801 7.801 7.840 -0.039 25451 249 1 1 . 1 1 48 48 MET N N 48 118.957 118.957 121.281 -2.324 25451 250 1 1 . 1 1 48 48 MET C C 48 177.500 177.500 177.851 -0.351 25451 251 1 1 . 1 1 48 48 MET CA C 48 54.928 54.928 56.376 -1.448 25451 252 1 1 . 1 1 48 48 MET CB C 48 36.492 36.492 33.560 2.932 25451 253 1 1 . 1 1 48 48 MET H H 48 7.331 7.331 7.745 -0.414 25451 254 1 1 . 1 1 49 49 SER HA H 49 4.260 4.260 4.200 0.060 25451 255 1 1 . 1 1 49 49 SER C C 49 176.898 176.898 176.670 0.228 25451 256 1 1 . 1 1 49 49 SER CA C 49 61.899 61.899 61.756 0.143 25451 257 1 1 . 1 1 50 50 GLU N N 50 121.350 121.350 121.634 -0.284 25451 258 1 1 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.287 0.463 25451 259 1 1 . 1 1 50 50 GLU C C 50 176.971 176.971 178.501 -1.530 25451 260 1 1 . 1 1 50 50 GLU CA C 50 56.487 56.487 57.437 -0.950 25451 261 1 1 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.302 -1.064 25451 262 1 1 . 1 1 50 50 GLU H H 50 10.024 10.024 8.736 1.288 25451 263 1 1 . 1 1 51 51 GLY N N 51 109.546 109.546 107.938 1.608 25451 264 1 1 . 1 1 51 51 GLY C C 51 175.602 175.602 175.912 -0.310 25451 265 1 1 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.198 1.677 25451 266 1 1 . 1 1 51 51 GLY H H 51 8.124 8.124 8.073 0.051 25451 267 1 1 . 1 1 52 52 GLU N N 52 120.614 120.614 121.301 -0.687 25451 268 1 1 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.057 0.145 25451 269 1 1 . 1 1 52 52 GLU C C 52 180.056 180.056 178.999 1.057 25451 270 1 1 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.195 0.227 25451 271 1 1 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.502 -0.531 25451 272 1 1 . 1 1 52 52 GLU H H 52 8.821 8.821 7.949 0.872 25451 273 1 1 . 1 1 53 53 GLN N N 53 123.591 123.591 119.487 4.104 25451 274 1 1 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.106 0.038 25451 275 1 1 . 1 1 53 53 GLN C C 53 179.600 179.600 178.180 1.420 25451 276 1 1 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.815 0.241 25451 277 1 1 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.443 -0.756 25451 278 1 1 . 1 1 53 53 GLN H H 53 8.117 8.117 8.258 -0.141 25451 279 1 1 . 1 1 54 54 LEU N N 54 120.960 120.960 120.065 0.895 25451 280 1 1 . 1 1 54 54 LEU HA H 54 4.011 4.011 4.058 -0.047 25451 281 1 1 . 1 1 54 54 LEU C C 54 179.417 179.417 179.025 0.392 25451 282 1 1 . 1 1 54 54 LEU CA C 54 57.863 57.863 57.105 0.758 25451 283 1 1 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.867 -0.431 25451 284 1 1 . 1 1 54 54 LEU H H 54 8.249 8.249 7.544 0.705 25451 285 1 1 . 1 1 55 55 ARG N N 55 118.038 118.038 119.987 -1.949 25451 286 1 1 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.817 -0.022 25451 287 1 1 . 1 1 55 55 ARG C C 55 180.439 180.439 178.624 1.815 25451 288 1 1 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.674 0.941 25451 289 1 1 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.974 -0.452 25451 290 1 1 . 1 1 55 55 ARG H H 55 8.402 8.402 8.672 -0.270 25451 291 1 1 . 1 1 56 56 GLY N N 56 110.675 110.675 107.789 2.886 25451 292 1 1 . 1 1 56 56 GLY C C 56 176.350 176.350 176.163 0.187 25451 293 1 1 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.296 -0.072 25451 294 1 1 . 1 1 56 56 GLY H H 56 8.376 8.376 8.301 0.075 25451 295 1 1 . 1 1 57 57 GLU N N 57 124.469 124.469 121.711 2.758 25451 296 1 1 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.131 -0.054 25451 297 1 1 . 1 1 57 57 GLU C C 57 180.184 180.184 179.219 0.965 25451 298 1 1 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.002 1.605 25451 299 1 1 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.000 0.980 25451 300 1 1 . 1 1 57 57 GLU H H 57 8.146 8.146 7.795 0.351 25451 301 1 1 . 1 1 58 58 ILE N N 58 121.352 121.352 121.172 0.180 25451 302 1 1 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.773 -0.086 25451 303 1 1 . 1 1 58 58 ILE C C 58 178.030 178.030 177.468 0.562 25451 304 1 1 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.429 0.139 25451 305 1 1 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.773 0.554 25451 306 1 1 . 1 1 58 58 ILE H H 58 8.201 8.201 7.663 0.538 25451 307 1 1 . 1 1 59 59 TYR N N 59 121.934 121.934 121.158 0.776 25451 308 1 1 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.219 -0.084 25451 309 1 1 . 1 1 59 59 TYR C C 59 178.322 178.322 178.422 -0.100 25451 310 1 1 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.730 0.261 25451 311 1 1 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.625 -0.665 25451 312 1 1 . 1 1 59 59 TYR H H 59 8.256 8.256 8.377 -0.121 25451 313 1 1 . 1 1 60 60 GLN N N 60 119.694 119.694 117.048 2.646 25451 314 1 1 . 1 1 60 60 GLN HA H 60 3.679 3.679 3.939 -0.260 25451 315 1 1 . 1 1 60 60 GLN C C 60 177.336 177.336 178.080 -0.744 25451 316 1 1 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.506 0.274 25451 317 1 1 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.210 0.303 25451 318 1 1 . 1 1 60 60 GLN H H 60 8.512 8.512 8.410 0.102 25451 319 1 1 . 1 1 61 61 ALA N N 61 117.444 117.444 120.108 -2.664 25451 320 1 1 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.890 0.079 25451 321 1 1 . 1 1 61 61 ALA C C 61 179.180 179.180 178.349 0.831 25451 322 1 1 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.697 0.040 25451 323 1 1 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.752 0.405 25451 324 1 1 . 1 1 61 61 ALA H H 61 7.749 7.749 7.334 0.415 25451 325 1 1 . 1 1 62 62 TYR N N 62 113.265 113.265 114.607 -1.342 25451 326 1 1 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.392 0.133 25451 327 1 1 . 1 1 62 62 TYR C C 62 175.036 175.036 174.988 0.048 25451 328 1 1 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.980 0.333 25451 329 1 1 . 1 1 62 62 TYR CB C 62 38.969 38.969 38.988 -0.019 25451 330 1 1 . 1 1 62 62 TYR H H 62 7.801 7.801 8.090 -0.289 25451 331 1 1 . 1 1 63 63 LYS N N 63 117.584 117.584 116.173 1.411 25451 332 1 1 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.965 0.539 25451 333 1 1 . 1 1 63 63 LYS C C 63 173.812 173.812 174.043 -0.231 25451 334 1 1 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.999 -0.328 25451 335 1 1 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.243 -0.730 25451 336 1 1 . 1 1 63 63 LYS H H 63 8.098 8.098 7.680 0.418 25451 337 1 1 . 1 1 64 64 HIS N N 64 118.618 118.618 115.329 3.289 25451 338 1 1 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.768 0.189 25451 339 1 1 . 1 1 64 64 HIS C C 64 175.985 175.985 174.706 1.279 25451 340 1 1 . 1 1 64 64 HIS CA C 64 55.754 55.754 54.581 1.173 25451 341 1 1 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.483 1.450 25451 342 1 1 . 1 1 64 64 HIS H H 64 6.524 6.524 7.257 -0.733 25451 343 1 1 . 1 1 65 65 GLU N N 65 126.723 126.723 119.640 7.083 25451 344 1 1 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.563 -0.170 25451 345 1 1 . 1 1 65 65 GLU C C 65 175.346 175.346 176.451 -1.105 25451 346 1 1 . 1 1 65 65 GLU CA C 65 56.946 56.946 57.056 -0.110 25451 347 1 1 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.088 1.185 25451 348 1 1 . 1 1 65 65 GLU H H 65 9.188 9.188 8.780 0.408 25451 349 1 1 . 1 1 66 66 THR N N 66 108.043 108.043 113.925 -5.882 25451 350 1 1 . 1 1 66 66 THR HA H 66 4.393 4.393 4.720 -0.327 25451 351 1 1 . 1 1 66 66 THR C C 66 174.579 174.579 172.729 1.850 25451 352 1 1 . 1 1 66 66 THR CA C 66 59.698 59.698 61.734 -2.036 25451 353 1 1 . 1 1 66 66 THR CB C 66 71.071 71.071 71.636 -0.565 25451 354 1 1 . 1 1 66 66 THR H H 66 6.296 6.296 7.780 -1.484 25451 355 1 1 . 1 1 67 67 VAL N N 67 112.473 112.473 119.387 -6.914 25451 356 1 1 . 1 1 67 67 VAL C C 67 173.027 173.027 174.023 -0.996 25451 357 1 1 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.782 -4.734 25451 358 1 1 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.853 0.329 25451 359 1 1 . 1 1 67 67 VAL H H 67 7.688 7.688 8.635 -0.947 25451 360 1 1 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.486 0.944 25451 361 1 1 . 1 1 68 68 PRO C C 68 176.405 176.405 175.410 0.995 25451 362 1 1 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.555 -0.748 25451 363 1 1 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.229 2.612 25451 364 1 1 . 1 1 69 69 ALA N N 69 124.309 124.309 121.655 2.654 25451 365 1 1 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.614 0.194 25451 366 1 1 . 1 1 69 69 ALA C C 69 175.273 175.273 176.390 -1.117 25451 367 1 1 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.478 -0.127 25451 368 1 1 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.090 1.635 25451 369 1 1 . 1 1 69 69 ALA H H 69 8.952 8.952 8.331 0.621 25451 370 1 1 . 1 1 70 70 ILE N N 70 124.569 124.569 122.500 2.069 25451 371 1 1 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.866 -0.316 25451 372 1 1 . 1 1 70 70 ILE C C 70 172.553 172.553 174.090 -1.537 25451 373 1 1 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.128 1.954 25451 374 1 1 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.151 -1.082 25451 375 1 1 . 1 1 70 70 ILE H H 70 8.447 8.447 8.125 0.322 25451 376 1 1 . 1 1 71 71 PHE N N 71 127.490 127.490 123.629 3.861 25451 377 1 1 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.561 -0.338 25451 378 1 1 . 1 1 71 71 PHE C C 71 174.798 174.798 174.791 0.007 25451 379 1 1 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.114 0.007 25451 380 1 1 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.797 -1.710 25451 381 1 1 . 1 1 71 71 PHE H H 71 9.219 9.219 9.306 -0.087 25451 382 1 1 . 1 1 72 72 ILE N N 72 118.614 118.614 121.697 -3.083 25451 383 1 1 . 1 1 72 72 ILE HA H 72 5.107 5.107 4.995 0.112 25451 384 1 1 . 1 1 72 72 ILE C C 72 177.518 177.518 176.032 1.486 25451 385 1 1 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.433 0.090 25451 386 1 1 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.712 0.275 25451 387 1 1 . 1 1 72 72 ILE H H 72 8.715 8.715 8.952 -0.237 25451 388 1 1 . 1 1 73 73 ASN N N 73 129.431 129.431 126.795 2.636 25451 389 1 1 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.382 0.285 25451 390 1 1 . 1 1 73 73 ASN C C 73 175.273 175.273 175.828 -0.555 25451 391 1 1 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.406 0.155 25451 392 1 1 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.729 0.589 25451 393 1 1 . 1 1 73 73 ASN H H 73 10.691 10.691 9.270 1.421 25451 394 1 1 . 1 1 74 74 GLY N N 74 104.235 104.235 103.100 1.135 25451 395 1 1 . 1 1 74 74 GLY C C 74 172.754 172.754 174.023 -1.269 25451 396 1 1 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.542 -0.520 25451 397 1 1 . 1 1 74 74 GLY H H 74 9.529 9.529 8.863 0.666 25451 398 1 1 . 1 1 75 75 ASN N N 75 119.009 119.009 118.109 0.900 25451 399 1 1 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.072 0.026 25451 400 1 1 . 1 1 75 75 ASN C C 75 174.269 174.269 173.973 0.296 25451 401 1 1 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.898 -1.272 25451 402 1 1 . 1 1 75 75 ASN CB C 75 39.978 39.978 40.614 -0.635 25451 403 1 1 . 1 1 75 75 ASN H H 75 8.116 8.116 8.085 0.031 25451 404 1 1 . 1 1 76 76 PHE N N 76 124.901 124.901 122.732 2.169 25451 405 1 1 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.576 -0.922 25451 406 1 1 . 1 1 76 76 PHE C C 76 175.273 175.273 174.832 0.441 25451 407 1 1 . 1 1 76 76 PHE CA C 76 57.863 57.863 57.228 0.635 25451 408 1 1 . 1 1 76 76 PHE CB C 76 38.877 38.877 40.175 -1.298 25451 409 1 1 . 1 1 76 76 PHE H H 76 9.004 9.004 8.654 0.350 25451 410 1 1 . 1 1 77 77 ILE N N 77 126.459 126.459 126.028 0.431 25451 411 1 1 . 1 1 77 77 ILE C C 77 174.506 174.506 172.834 1.672 25451 412 1 1 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.711 -1.206 25451 413 1 1 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.593 -4.183 25451 414 1 1 . 1 1 77 77 ILE H H 77 8.161 8.161 8.161 0.000 25451 415 1 1 . 1 1 78 78 GLY C C 78 172.005 172.005 173.355 -1.350 25451 416 1 1 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.749 -0.194 25451 417 1 1 . 1 1 79 79 GLY N N 79 109.745 109.745 111.518 -1.773 25451 418 1 1 . 1 1 79 79 GLY C C 79 174.981 174.981 174.241 0.740 25451 419 1 1 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.972 -1.509 25451 420 1 1 . 1 1 79 79 GLY H H 79 9.114 9.114 7.931 1.183 25451 421 1 1 . 1 1 80 80 CYS N N 80 120.764 120.764 121.362 -0.598 25451 422 1 1 . 1 1 80 80 CYS C C 80 176.533 176.533 176.611 -0.078 25451 423 1 1 . 1 1 80 80 CYS CA C 80 63.825 63.825 63.331 0.494 25451 424 1 1 . 1 1 80 80 CYS CB C 80 26.770 26.770 27.448 -0.678 25451 425 1 1 . 1 1 80 80 CYS H H 80 8.571 8.571 8.918 -0.347 25451 426 1 1 . 1 1 81 81 SER HA H 81 3.903 3.903 4.233 -0.330 25451 427 1 1 . 1 1 81 81 SER C C 81 177.318 177.318 176.420 0.898 25451 428 1 1 . 1 1 81 81 SER CA C 81 61.440 61.440 61.350 0.090 25451 429 1 1 . 1 1 82 82 ASP N N 82 122.226 122.226 121.910 0.316 25451 430 1 1 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.380 -0.029 25451 431 1 1 . 1 1 82 82 ASP C C 82 177.993 177.993 178.516 -0.523 25451 432 1 1 . 1 1 82 82 ASP CA C 82 57.129 57.129 57.018 0.111 25451 433 1 1 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.649 0.888 25451 434 1 1 . 1 1 82 82 ASP H H 82 7.060 7.060 8.248 -1.188 25451 435 1 1 . 1 1 83 83 LEU N N 83 121.542 121.542 120.862 0.680 25451 436 1 1 . 1 1 83 83 LEU HA H 83 3.787 3.787 4.008 -0.221 25451 437 1 1 . 1 1 83 83 LEU C C 83 177.957 177.957 178.460 -0.503 25451 438 1 1 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.698 0.165 25451 439 1 1 . 1 1 83 83 LEU CB C 83 42.087 42.087 42.051 0.036 25451 440 1 1 . 1 1 83 83 LEU H H 83 7.793 7.793 7.950 -0.157 25451 441 1 1 . 1 1 84 84 GLU N N 84 117.702 117.702 118.978 -1.276 25451 442 1 1 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.855 -0.035 25451 443 1 1 . 1 1 84 84 GLU C C 84 179.161 179.161 178.784 0.377 25451 444 1 1 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.605 0.093 25451 445 1 1 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.398 0.124 25451 446 1 1 . 1 1 84 84 GLU H H 84 8.432 8.432 8.257 0.175 25451 447 1 1 . 1 1 85 85 ALA N N 85 122.903 122.903 122.471 0.432 25451 448 1 1 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.056 0.120 25451 449 1 1 . 1 1 85 85 ALA C C 85 179.892 179.892 179.684 0.208 25451 450 1 1 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.217 0.078 25451 451 1 1 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.168 -0.387 25451 452 1 1 . 1 1 85 85 ALA H H 85 7.890 7.890 8.164 -0.274 25451 453 1 1 . 1 1 86 86 LEU N N 86 118.087 118.087 118.541 -0.454 25451 454 1 1 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.957 0.062 25451 455 1 1 . 1 1 86 86 LEU C C 86 179.764 179.764 178.858 0.906 25451 456 1 1 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.228 0.452 25451 457 1 1 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.544 1.277 25451 458 1 1 . 1 1 86 86 LEU H H 86 7.567 7.567 7.600 -0.033 25451 459 1 1 . 1 1 87 87 ASP N N 87 119.239 119.239 119.702 -0.463 25451 460 1 1 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.335 0.166 25451 461 1 1 . 1 1 87 87 ASP C C 87 179.563 179.563 178.526 1.037 25451 462 1 1 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.390 -0.536 25451 463 1 1 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.925 1.071 25451 464 1 1 . 1 1 87 87 ASP H H 87 7.985 7.985 7.784 0.201 25451 465 1 1 . 1 1 88 88 LYS N N 88 121.741 121.741 118.668 3.073 25451 466 1 1 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.130 -0.094 25451 467 1 1 . 1 1 88 88 LYS C C 88 178.778 178.778 178.853 -0.075 25451 468 1 1 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.234 0.913 25451 469 1 1 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.502 -0.320 25451 470 1 1 . 1 1 88 88 LYS H H 88 8.461 8.461 8.095 0.366 25451 471 1 1 . 1 1 89 89 GLU N N 89 115.496 115.496 117.502 -2.006 25451 472 1 1 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.301 0.009 25451 473 1 1 . 1 1 89 89 GLU C C 89 176.806 176.806 176.995 -0.189 25451 474 1 1 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.517 -0.305 25451 475 1 1 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.967 0.380 25451 476 1 1 . 1 1 89 89 GLU H H 89 7.838 7.838 8.065 -0.227 25451 477 1 1 . 1 1 90 90 GLY N N 90 108.622 108.622 106.836 1.786 25451 478 1 1 . 1 1 90 90 GLY C C 90 175.985 175.985 175.224 0.761 25451 479 1 1 . 1 1 90 90 GLY CA C 90 46.215 46.215 45.650 0.565 25451 480 1 1 . 1 1 90 90 GLY H H 90 7.992 7.992 7.786 0.206 25451 481 1 1 . 1 1 91 91 LYS N N 91 117.355 117.355 119.984 -2.629 25451 482 1 1 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.350 -0.024 25451 483 1 1 . 1 1 91 91 LYS C C 91 177.518 177.518 177.424 0.094 25451 484 1 1 . 1 1 91 91 LYS CA C 91 56.487 56.487 56.913 -0.425 25451 485 1 1 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.698 2.419 25451 486 1 1 . 1 1 91 91 LYS H H 91 8.047 8.047 7.730 0.317 25451 487 1 1 . 1 1 92 92 LEU N N 92 121.641 121.641 120.452 1.189 25451 488 1 1 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.132 -0.179 25451 489 1 1 . 1 1 92 92 LEU C C 92 177.518 177.518 177.293 0.225 25451 490 1 1 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.548 -0.052 25451 491 1 1 . 1 1 92 92 LEU CB C 92 41.170 41.170 42.262 -1.092 25451 492 1 1 . 1 1 92 92 LEU H H 92 7.582 7.582 7.463 0.119 25451 493 1 1 . 1 1 93 93 ASP N N 93 118.032 118.032 118.666 -0.634 25451 494 1 1 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.425 -0.207 25451 495 1 1 . 1 1 93 93 ASP C C 93 179.344 179.344 177.961 1.383 25451 496 1 1 . 1 1 93 93 ASP CA C 93 57.955 57.955 56.875 1.080 25451 497 1 1 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.247 -0.361 25451 498 1 1 . 1 1 93 93 ASP H H 93 8.194 8.194 8.435 -0.241 25451 499 1 1 . 1 1 94 94 GLY N N 94 107.012 107.012 108.081 -1.069 25451 500 1 1 . 1 1 94 94 GLY C C 94 176.368 176.368 176.015 0.353 25451 501 1 1 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.359 0.039 25451 502 1 1 . 1 1 94 94 GLY H H 94 8.271 8.271 7.891 0.380 25451 503 1 1 . 1 1 95 95 LEU N N 95 120.472 120.472 121.154 -0.682 25451 504 1 1 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.135 0.117 25451 505 1 1 . 1 1 95 95 LEU C C 95 178.285 178.285 177.794 0.491 25451 506 1 1 . 1 1 95 95 LEU CA C 95 56.487 56.487 55.806 0.681 25451 507 1 1 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.102 0.627 25451 508 1 1 . 1 1 95 95 LEU H H 95 7.475 7.475 7.271 0.204 25451 509 1 1 . 1 1 96 96 LEU N N 96 116.181 116.181 116.852 -0.671 25451 510 1 1 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.088 0.172 25451 511 1 1 . 1 1 96 96 LEU C C 96 176.186 176.186 177.299 -1.113 25451 512 1 1 . 1 1 96 96 LEU CA C 96 54.561 54.561 55.655 -1.094 25451 513 1 1 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.015 1.256 25451 514 1 1 . 1 1 96 96 LEU H H 96 7.394 7.394 7.457 -0.063 25451 515 1 2 . 1 1 5 5 SER HA H 5 4.492 4.492 4.646 -0.154 25451 516 1 2 . 1 1 5 5 SER C C 5 176.496 176.496 174.499 1.997 25451 517 1 2 . 1 1 5 5 SER CA C 5 59.422 59.422 56.731 2.691 25451 518 1 2 . 1 1 5 5 SER CB C 5 64.100 64.100 65.728 -1.628 25451 519 1 2 . 1 1 6 6 ILE N N 6 120.626 120.626 117.638 2.988 25451 520 1 2 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.846 -0.035 25451 521 1 2 . 1 1 6 6 ILE C C 6 176.952 176.952 177.083 -0.131 25451 522 1 2 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.484 0.616 25451 523 1 2 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.554 -0.145 25451 524 1 2 . 1 1 6 6 ILE H H 6 9.168 9.168 8.470 0.698 25451 525 1 2 . 1 1 7 7 ALA N N 7 122.320 122.320 122.730 -0.410 25451 526 1 2 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.870 0.024 25451 527 1 2 . 1 1 7 7 ALA C C 7 179.837 179.837 179.486 0.351 25451 528 1 2 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.788 0.415 25451 529 1 2 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.781 0.367 25451 530 1 2 . 1 1 7 7 ALA H H 7 7.882 7.882 8.034 -0.152 25451 531 1 2 . 1 1 8 8 SER N N 8 110.329 110.329 113.868 -3.539 25451 532 1 2 . 1 1 8 8 SER HA H 8 4.227 4.227 4.205 0.022 25451 533 1 2 . 1 1 8 8 SER C C 8 177.409 177.409 176.687 0.722 25451 534 1 2 . 1 1 8 8 SER CA C 8 60.156 60.156 61.057 -0.901 25451 535 1 2 . 1 1 8 8 SER CB C 8 62.908 62.908 63.234 -0.326 25451 536 1 2 . 1 1 8 8 SER H H 8 7.647 7.647 7.698 -0.051 25451 537 1 2 . 1 1 9 9 MET N N 9 122.133 122.133 119.565 2.568 25451 538 1 2 . 1 1 9 9 MET HA H 9 4.127 4.127 4.171 -0.044 25451 539 1 2 . 1 1 9 9 MET C C 9 180.841 180.841 177.690 3.151 25451 540 1 2 . 1 1 9 9 MET CA C 9 59.147 59.147 59.269 -0.122 25451 541 1 2 . 1 1 9 9 MET CB C 9 35.025 35.025 32.942 2.083 25451 542 1 2 . 1 1 9 9 MET H H 9 7.787 7.787 7.662 0.125 25451 543 1 2 . 1 1 10 10 ILE N N 10 115.009 115.009 115.161 -0.152 25451 544 1 2 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.892 -0.130 25451 545 1 2 . 1 1 10 10 ILE C C 10 174.981 174.981 177.040 -2.059 25451 546 1 2 . 1 1 10 10 ILE CA C 10 65.293 65.293 63.372 1.921 25451 547 1 2 . 1 1 10 10 ILE CB C 10 37.776 37.776 36.901 0.875 25451 548 1 2 . 1 1 10 10 ILE H H 10 8.315 8.315 7.383 0.932 25451 549 1 2 . 1 1 11 11 LYS N N 11 117.153 117.153 117.924 -0.771 25451 550 1 2 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.321 0.188 25451 551 1 2 . 1 1 11 11 LYS C C 11 177.774 177.774 177.340 0.434 25451 552 1 2 . 1 1 11 11 LYS CA C 11 55.479 55.479 56.947 -1.468 25451 553 1 2 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.360 -0.087 25451 554 1 2 . 1 1 11 11 LYS H H 11 6.877 6.877 7.333 -0.456 25451 555 1 2 . 1 1 12 12 GLY N N 12 106.134 106.134 107.926 -1.792 25451 556 1 2 . 1 1 12 12 GLY C C 12 172.553 172.553 174.976 -2.423 25451 557 1 2 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.029 1.277 25451 558 1 2 . 1 1 12 12 GLY H H 12 7.757 7.757 7.858 -0.101 25451 559 1 2 . 1 1 13 13 ASN N N 13 115.402 115.402 118.648 -3.246 25451 560 1 2 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.856 -0.264 25451 561 1 2 . 1 1 13 13 ASN C C 13 174.068 174.068 174.627 -0.559 25451 562 1 2 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.624 -2.465 25451 563 1 2 . 1 1 13 13 ASN CB C 13 40.895 40.895 40.720 0.175 25451 564 1 2 . 1 1 13 13 ASN H H 13 7.214 7.214 7.920 -0.706 25451 565 1 2 . 1 1 14 14 LYS N N 14 122.033 122.033 121.649 0.384 25451 566 1 2 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.355 -0.286 25451 567 1 2 . 1 1 14 14 LYS C C 14 176.533 176.533 176.206 0.327 25451 568 1 2 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.613 1.360 25451 569 1 2 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.338 -1.798 25451 570 1 2 . 1 1 14 14 LYS H H 14 8.351 8.351 8.598 -0.247 25451 571 1 2 . 1 1 15 15 VAL N N 15 117.450 117.450 116.834 0.616 25451 572 1 2 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.117 -0.093 25451 573 1 2 . 1 1 15 15 VAL C C 15 174.543 174.543 174.533 0.010 25451 574 1 2 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.014 0.326 25451 575 1 2 . 1 1 15 15 VAL CB C 15 32.732 32.732 33.800 -1.068 25451 576 1 2 . 1 1 15 15 VAL H H 15 8.021 8.021 7.663 0.358 25451 577 1 2 . 1 1 16 16 VAL N N 16 128.604 128.604 127.347 1.257 25451 578 1 2 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.039 -0.148 25451 579 1 2 . 1 1 16 16 VAL C C 16 173.922 173.922 174.394 -0.472 25451 580 1 2 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.430 0.919 25451 581 1 2 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.121 0.087 25451 582 1 2 . 1 1 16 16 VAL H H 16 8.909 8.909 9.032 -0.123 25451 583 1 2 . 1 1 17 17 VAL N N 17 126.814 126.814 124.880 1.934 25451 584 1 2 . 1 1 17 17 VAL HA H 17 5.015 5.015 4.922 0.093 25451 585 1 2 . 1 1 17 17 VAL C C 17 173.593 173.593 174.260 -0.667 25451 586 1 2 . 1 1 17 17 VAL CA C 17 59.881 59.881 59.956 -0.075 25451 587 1 2 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.478 0.005 25451 588 1 2 . 1 1 17 17 VAL H H 17 8.359 8.359 8.820 -0.461 25451 589 1 2 . 1 1 18 18 PHE N N 18 125.697 125.697 125.943 -0.246 25451 590 1 2 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.366 0.048 25451 591 1 2 . 1 1 18 18 PHE C C 18 175.364 175.364 175.183 0.181 25451 592 1 2 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.293 0.836 25451 593 1 2 . 1 1 18 18 PHE CB C 18 39.336 39.336 40.645 -1.309 25451 594 1 2 . 1 1 18 18 PHE H H 18 9.015 9.015 9.154 -0.139 25451 595 1 2 . 1 1 19 19 SER N N 19 120.570 120.570 116.395 4.175 25451 596 1 2 . 1 1 19 19 SER HA H 19 5.215 5.215 4.877 0.338 25451 597 1 2 . 1 1 19 19 SER C C 19 173.539 173.539 172.689 0.850 25451 598 1 2 . 1 1 19 19 SER CA C 19 57.863 57.863 57.299 0.564 25451 599 1 2 . 1 1 19 19 SER CB C 19 69.512 69.512 66.425 3.087 25451 600 1 2 . 1 1 19 19 SER H H 19 9.137 9.137 9.007 0.130 25451 601 1 2 . 1 1 20 20 TRP N N 20 122.520 122.520 122.263 0.257 25451 602 1 2 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.136 0.809 25451 603 1 2 . 1 1 20 20 TRP C C 20 178.030 178.030 175.537 2.493 25451 604 1 2 . 1 1 20 20 TRP CA C 20 54.011 54.011 55.829 -1.818 25451 605 1 2 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.527 1.663 25451 606 1 2 . 1 1 20 20 TRP H H 20 8.520 8.520 8.858 -0.338 25451 607 1 2 . 1 1 21 21 VAL N N 21 124.864 124.864 120.851 4.013 25451 608 1 2 . 1 1 21 21 VAL C C 21 177.208 177.208 176.410 0.798 25451 609 1 2 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.126 3.258 25451 610 1 2 . 1 1 21 21 VAL CB C 21 32.273 32.273 31.759 0.514 25451 611 1 2 . 1 1 21 21 VAL H H 21 9.956 9.956 8.107 1.849 25451 612 1 2 . 1 1 22 22 THR HA H 22 4.542 4.542 4.550 -0.008 25451 613 1 2 . 1 1 22 22 THR C C 22 174.269 174.269 173.195 1.074 25451 614 1 2 . 1 1 22 22 THR CA C 22 60.982 60.982 61.102 -0.120 25451 615 1 2 . 1 1 22 22 THR CB C 22 69.237 69.237 70.368 -1.131 25451 616 1 2 . 1 1 23 23 CYS N N 23 127.689 127.689 124.966 2.723 25451 617 1 2 . 1 1 23 23 CYS C C 23 175.054 175.054 174.349 0.705 25451 618 1 2 . 1 1 23 23 CYS CA C 23 56.396 56.396 55.282 1.115 25451 619 1 2 . 1 1 23 23 CYS CB C 23 32.273 32.273 30.755 1.518 25451 620 1 2 . 1 1 23 23 CYS H H 23 7.013 7.013 8.325 -1.312 25451 621 1 2 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.416 -0.115 25451 622 1 2 . 1 1 24 24 PRO C C 24 180.202 180.202 176.858 3.344 25451 623 1 2 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.490 -0.023 25451 624 1 2 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.602 0.580 25451 625 1 2 . 1 1 25 25 TYR N N 25 126.810 126.810 117.795 9.015 25451 626 1 2 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.589 -0.279 25451 627 1 2 . 1 1 25 25 TYR C C 25 178.632 178.632 177.931 0.701 25451 628 1 2 . 1 1 25 25 TYR CA C 25 61.715 61.715 59.972 1.743 25451 629 1 2 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.557 0.219 25451 630 1 2 . 1 1 25 25 TYR H H 25 9.569 9.569 7.579 1.990 25451 631 1 2 . 1 1 26 26 CYS N N 26 127.984 127.984 120.225 7.759 25451 632 1 2 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.179 -0.160 25451 633 1 2 . 1 1 26 26 CYS C C 26 176.642 176.642 176.728 -0.086 25451 634 1 2 . 1 1 26 26 CYS CA C 26 64.559 64.559 62.352 2.207 25451 635 1 2 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.359 1.879 25451 636 1 2 . 1 1 26 26 CYS H H 26 9.239 9.239 7.744 1.495 25451 637 1 2 . 1 1 27 27 VAL N N 27 121.054 121.054 120.587 0.467 25451 638 1 2 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.674 -0.087 25451 639 1 2 . 1 1 27 27 VAL C C 27 178.614 178.614 177.173 1.441 25451 640 1 2 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.600 0.160 25451 641 1 2 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.862 0.228 25451 642 1 2 . 1 1 27 27 VAL H H 27 8.402 8.402 7.705 0.697 25451 643 1 2 . 1 1 28 28 ARG N N 28 119.686 119.686 118.844 0.842 25451 644 1 2 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.953 0.008 25451 645 1 2 . 1 1 28 28 ARG C C 28 178.742 178.742 178.465 0.277 25451 646 1 2 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.577 0.029 25451 647 1 2 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.822 0.800 25451 648 1 2 . 1 1 28 28 ARG H H 28 7.655 7.655 8.223 -0.568 25451 649 1 2 . 1 1 29 29 ALA N N 29 122.324 122.324 123.028 -0.704 25451 650 1 2 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.045 -0.034 25451 651 1 2 . 1 1 29 29 ALA C C 29 178.906 178.906 179.394 -0.488 25451 652 1 2 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.127 -0.015 25451 653 1 2 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.403 0.204 25451 654 1 2 . 1 1 29 29 ALA H H 29 8.175 8.175 8.310 -0.135 25451 655 1 2 . 1 1 30 30 GLU N N 30 117.151 117.151 118.700 -1.549 25451 656 1 2 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.950 -0.413 25451 657 1 2 . 1 1 30 30 GLU C C 30 178.030 178.030 179.032 -1.002 25451 658 1 2 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.738 0.877 25451 659 1 2 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.516 0.006 25451 660 1 2 . 1 1 30 30 GLU H H 30 8.689 8.689 8.617 0.072 25451 661 1 2 . 1 1 31 31 LYS N N 31 119.597 119.597 120.072 -0.475 25451 662 1 2 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.021 0.015 25451 663 1 2 . 1 1 31 31 LYS C C 31 179.746 179.746 178.744 1.002 25451 664 1 2 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.813 -0.024 25451 665 1 2 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.391 0.157 25451 666 1 2 . 1 1 31 31 LYS H H 31 8.359 8.359 8.031 0.328 25451 667 1 2 . 1 1 32 32 LEU N N 32 121.147 121.147 121.115 0.032 25451 668 1 2 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.115 -0.063 25451 669 1 2 . 1 1 32 32 LEU C C 32 179.198 179.198 178.856 0.342 25451 670 1 2 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.631 0.874 25451 671 1 2 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.347 0.832 25451 672 1 2 . 1 1 32 32 LEU H H 32 7.610 7.610 7.624 -0.014 25451 673 1 2 . 1 1 33 33 LEU N N 33 118.120 118.120 119.235 -1.115 25451 674 1 2 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.752 0.010 25451 675 1 2 . 1 1 33 33 LEU C C 33 179.234 179.234 178.981 0.253 25451 676 1 2 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.585 -0.171 25451 677 1 2 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.387 1.067 25451 678 1 2 . 1 1 33 33 LEU H H 33 7.904 7.904 8.643 -0.739 25451 679 1 2 . 1 1 34 34 HIS N N 34 117.939 117.939 117.593 0.346 25451 680 1 2 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.345 0.288 25451 681 1 2 . 1 1 34 34 HIS C C 34 176.879 176.879 178.089 -1.210 25451 682 1 2 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.826 -0.404 25451 683 1 2 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.952 0.120 25451 684 1 2 . 1 1 34 34 HIS H H 34 8.876 8.876 8.445 0.431 25451 685 1 2 . 1 1 35 35 ALA N N 35 118.133 118.133 122.022 -3.889 25451 686 1 2 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.203 0.082 25451 687 1 2 . 1 1 35 35 ALA C C 35 178.395 178.395 178.824 -0.429 25451 688 1 2 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.475 -1.290 25451 689 1 2 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.824 -0.309 25451 690 1 2 . 1 1 35 35 ALA H H 35 7.229 7.229 8.067 -0.838 25451 691 1 2 . 1 1 36 36 ARG N N 36 115.692 115.692 115.211 0.481 25451 692 1 2 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.648 -0.206 25451 693 1 2 . 1 1 36 36 ARG C C 36 175.693 175.693 175.345 0.348 25451 694 1 2 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.439 0.306 25451 695 1 2 . 1 1 36 36 ARG CB C 36 32.548 32.548 30.333 2.215 25451 696 1 2 . 1 1 36 36 ARG H H 36 7.647 7.647 7.836 -0.189 25451 697 1 2 . 1 1 37 37 THR N N 37 114.964 114.964 110.796 4.168 25451 698 1 2 . 1 1 37 37 THR HA H 37 4.651 4.651 3.862 0.789 25451 699 1 2 . 1 1 37 37 THR C C 37 170.636 170.636 173.792 -3.156 25451 700 1 2 . 1 1 37 37 THR CA C 37 60.523 60.523 63.244 -2.721 25451 701 1 2 . 1 1 37 37 THR CB C 37 68.870 68.870 66.606 2.264 25451 702 1 2 . 1 1 37 37 THR H H 37 8.087 8.087 7.581 0.506 25451 703 1 2 . 1 1 38 38 LYS N N 38 121.835 121.835 121.813 0.022 25451 704 1 2 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.159 0.508 25451 705 1 2 . 1 1 38 38 LYS C C 38 178.139 178.139 175.720 2.419 25451 706 1 2 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.496 -0.201 25451 707 1 2 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.207 0.525 25451 708 1 2 . 1 1 38 38 LYS H H 38 8.299 8.299 8.172 0.127 25451 709 1 2 . 1 1 39 39 ASP N N 39 128.517 128.517 126.377 2.140 25451 710 1 2 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.395 0.488 25451 711 1 2 . 1 1 39 39 ASP C C 39 172.754 172.754 174.957 -2.203 25451 712 1 2 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.636 -0.533 25451 713 1 2 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.872 0.115 25451 714 1 2 . 1 1 39 39 ASP H H 39 8.823 8.823 8.420 0.403 25451 715 1 2 . 1 1 40 40 ILE N N 40 116.959 116.959 124.849 -7.890 25451 716 1 2 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.757 0.516 25451 717 1 2 . 1 1 40 40 ILE C C 40 174.470 174.470 174.763 -0.293 25451 718 1 2 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.251 -2.213 25451 719 1 2 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.230 0.490 25451 720 1 2 . 1 1 40 40 ILE H H 40 7.273 7.273 7.672 -0.399 25451 721 1 2 . 1 1 41 41 THR N N 41 125.545 125.545 124.399 1.146 25451 722 1 2 . 1 1 41 41 THR HA H 41 4.260 4.260 4.694 -0.434 25451 723 1 2 . 1 1 41 41 THR C C 41 171.476 171.476 172.409 -0.933 25451 724 1 2 . 1 1 41 41 THR CA C 41 61.807 61.807 61.403 0.404 25451 725 1 2 . 1 1 41 41 THR CB C 41 72.172 72.172 70.358 1.814 25451 726 1 2 . 1 1 41 41 THR H H 41 8.564 8.564 8.744 -0.180 25451 727 1 2 . 1 1 42 42 VAL N N 42 126.913 126.913 127.357 -0.444 25451 728 1 2 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.752 -0.509 25451 729 1 2 . 1 1 42 42 VAL C C 42 174.086 174.086 174.502 -0.416 25451 730 1 2 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.381 0.867 25451 731 1 2 . 1 1 42 42 VAL CB C 42 32.824 32.824 33.346 -0.522 25451 732 1 2 . 1 1 42 42 VAL H H 42 8.271 8.271 8.484 -0.213 25451 733 1 2 . 1 1 43 43 HIS N N 43 127.392 127.392 128.930 -1.538 25451 734 1 2 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.906 -0.339 25451 735 1 2 . 1 1 43 43 HIS C C 43 174.543 174.543 173.244 1.299 25451 736 1 2 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.011 0.091 25451 737 1 2 . 1 1 43 43 HIS CB C 43 31.815 31.815 32.434 -0.619 25451 738 1 2 . 1 1 43 43 HIS H H 43 8.829 8.829 9.019 -0.190 25451 739 1 2 . 1 1 44 44 TYR N N 44 126.221 126.221 127.757 -1.536 25451 740 1 2 . 1 1 44 44 TYR HA H 44 5.206 5.206 5.061 0.145 25451 741 1 2 . 1 1 44 44 TYR C C 44 177.865 177.865 176.839 1.026 25451 742 1 2 . 1 1 44 44 TYR CA C 44 57.313 57.313 56.291 1.022 25451 743 1 2 . 1 1 44 44 TYR CB C 44 35.850 35.850 36.935 -1.085 25451 744 1 2 . 1 1 44 44 TYR H H 44 8.938 8.938 9.188 -0.250 25451 745 1 2 . 1 1 45 45 VAL N N 45 120.086 120.086 120.675 -0.589 25451 746 1 2 . 1 1 45 45 VAL HA H 45 4.351 4.351 3.530 0.821 25451 747 1 2 . 1 1 45 45 VAL C C 45 176.952 176.952 177.513 -0.561 25451 748 1 2 . 1 1 45 45 VAL CA C 45 63.917 63.917 65.008 -1.091 25451 749 1 2 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.534 -0.270 25451 750 1 2 . 1 1 45 45 VAL H H 45 9.037 9.037 7.919 1.118 25451 751 1 2 . 1 1 46 46 ASP N N 46 118.427 118.427 119.387 -0.960 25451 752 1 2 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.180 0.229 25451 753 1 2 . 1 1 46 46 ASP C C 46 176.989 176.989 177.211 -0.222 25451 754 1 2 . 1 1 46 46 ASP CA C 46 54.745 54.745 56.224 -1.478 25451 755 1 2 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.396 -3.537 25451 756 1 2 . 1 1 46 46 ASP H H 46 10.711 10.711 8.156 2.555 25451 757 1 2 . 1 1 47 47 LYS N N 47 119.396 119.396 116.650 2.746 25451 758 1 2 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.177 0.365 25451 759 1 2 . 1 1 47 47 LYS C C 47 176.350 176.350 176.522 -0.172 25451 760 1 2 . 1 1 47 47 LYS CA C 47 55.020 55.020 56.704 -1.684 25451 761 1 2 . 1 1 47 47 LYS CB C 47 32.640 32.640 32.969 -0.329 25451 762 1 2 . 1 1 47 47 LYS H H 47 7.801 7.801 7.959 -0.158 25451 763 1 2 . 1 1 48 48 MET N N 48 118.957 118.957 120.088 -1.131 25451 764 1 2 . 1 1 48 48 MET C C 48 177.500 177.500 177.252 0.248 25451 765 1 2 . 1 1 48 48 MET CA C 48 54.928 54.928 54.491 0.437 25451 766 1 2 . 1 1 48 48 MET CB C 48 36.492 36.492 34.519 1.973 25451 767 1 2 . 1 1 48 48 MET H H 48 7.331 7.331 7.503 -0.172 25451 768 1 2 . 1 1 49 49 SER HA H 49 4.260 4.260 4.127 0.133 25451 769 1 2 . 1 1 49 49 SER C C 49 176.898 176.898 175.932 0.966 25451 770 1 2 . 1 1 49 49 SER CA C 49 61.899 61.899 60.988 0.911 25451 771 1 2 . 1 1 50 50 GLU N N 50 121.350 121.350 120.958 0.392 25451 772 1 2 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.298 0.452 25451 773 1 2 . 1 1 50 50 GLU C C 50 176.971 176.971 178.517 -1.546 25451 774 1 2 . 1 1 50 50 GLU CA C 50 56.487 56.487 56.781 -0.294 25451 775 1 2 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.651 -1.413 25451 776 1 2 . 1 1 50 50 GLU H H 50 10.024 10.024 8.622 1.402 25451 777 1 2 . 1 1 51 51 GLY N N 51 109.546 109.546 108.301 1.245 25451 778 1 2 . 1 1 51 51 GLY C C 51 175.602 175.602 175.927 -0.325 25451 779 1 2 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.398 1.477 25451 780 1 2 . 1 1 51 51 GLY H H 51 8.124 8.124 7.960 0.164 25451 781 1 2 . 1 1 52 52 GLU N N 52 120.614 120.614 120.648 -0.034 25451 782 1 2 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.171 0.031 25451 783 1 2 . 1 1 52 52 GLU C C 52 180.056 180.056 179.131 0.925 25451 784 1 2 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.029 0.393 25451 785 1 2 . 1 1 52 52 GLU CB C 52 28.971 28.971 28.883 0.088 25451 786 1 2 . 1 1 52 52 GLU H H 52 8.821 8.821 8.349 0.472 25451 787 1 2 . 1 1 53 53 GLN N N 53 123.591 123.591 120.144 3.447 25451 788 1 2 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.080 0.064 25451 789 1 2 . 1 1 53 53 GLN C C 53 179.600 179.600 177.955 1.645 25451 790 1 2 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.642 0.414 25451 791 1 2 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.295 -0.608 25451 792 1 2 . 1 1 53 53 GLN H H 53 8.117 8.117 8.245 -0.128 25451 793 1 2 . 1 1 54 54 LEU N N 54 120.960 120.960 119.827 1.133 25451 794 1 2 . 1 1 54 54 LEU HA H 54 4.011 4.011 4.032 -0.021 25451 795 1 2 . 1 1 54 54 LEU C C 54 179.417 179.417 179.338 0.079 25451 796 1 2 . 1 1 54 54 LEU CA C 54 57.863 57.863 57.034 0.829 25451 797 1 2 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.767 -0.331 25451 798 1 2 . 1 1 54 54 LEU H H 54 8.249 8.249 7.556 0.693 25451 799 1 2 . 1 1 55 55 ARG N N 55 118.038 118.038 119.135 -1.097 25451 800 1 2 . 1 1 55 55 ARG HA H 55 3.795 3.795 4.014 -0.219 25451 801 1 2 . 1 1 55 55 ARG C C 55 180.439 180.439 179.142 1.297 25451 802 1 2 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.808 0.807 25451 803 1 2 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.866 -0.344 25451 804 1 2 . 1 1 55 55 ARG H H 55 8.402 8.402 8.640 -0.238 25451 805 1 2 . 1 1 56 56 GLY N N 56 110.675 110.675 107.852 2.823 25451 806 1 2 . 1 1 56 56 GLY C C 56 176.350 176.350 176.142 0.208 25451 807 1 2 . 1 1 56 56 GLY CA C 56 47.224 47.224 46.967 0.257 25451 808 1 2 . 1 1 56 56 GLY H H 56 8.376 8.376 8.089 0.287 25451 809 1 2 . 1 1 57 57 GLU N N 57 124.469 124.469 122.190 2.279 25451 810 1 2 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.006 0.071 25451 811 1 2 . 1 1 57 57 GLU C C 57 180.184 180.184 179.312 0.872 25451 812 1 2 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.944 0.662 25451 813 1 2 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.161 0.819 25451 814 1 2 . 1 1 57 57 GLU H H 57 8.146 8.146 8.106 0.040 25451 815 1 2 . 1 1 58 58 ILE N N 58 121.352 121.352 120.355 0.997 25451 816 1 2 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.801 -0.114 25451 817 1 2 . 1 1 58 58 ILE C C 58 178.030 178.030 177.622 0.408 25451 818 1 2 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.187 0.381 25451 819 1 2 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.976 0.351 25451 820 1 2 . 1 1 58 58 ILE H H 58 8.201 8.201 7.636 0.565 25451 821 1 2 . 1 1 59 59 TYR N N 59 121.934 121.934 121.112 0.822 25451 822 1 2 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.302 -0.167 25451 823 1 2 . 1 1 59 59 TYR C C 59 178.322 178.322 178.443 -0.121 25451 824 1 2 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.821 0.170 25451 825 1 2 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.738 -0.778 25451 826 1 2 . 1 1 59 59 TYR H H 59 8.256 8.256 8.495 -0.239 25451 827 1 2 . 1 1 60 60 GLN N N 60 119.694 119.694 118.227 1.467 25451 828 1 2 . 1 1 60 60 GLN HA H 60 3.679 3.679 4.028 -0.349 25451 829 1 2 . 1 1 60 60 GLN C C 60 177.336 177.336 177.707 -0.371 25451 830 1 2 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.681 0.099 25451 831 1 2 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.196 0.317 25451 832 1 2 . 1 1 60 60 GLN H H 60 8.512 8.512 8.552 -0.040 25451 833 1 2 . 1 1 61 61 ALA N N 61 117.444 117.444 120.227 -2.783 25451 834 1 2 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.971 -0.002 25451 835 1 2 . 1 1 61 61 ALA C C 61 179.180 179.180 177.837 1.343 25451 836 1 2 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.461 0.275 25451 837 1 2 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.607 0.550 25451 838 1 2 . 1 1 61 61 ALA H H 61 7.749 7.749 7.645 0.104 25451 839 1 2 . 1 1 62 62 TYR N N 62 113.265 113.265 114.935 -1.670 25451 840 1 2 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.535 -0.010 25451 841 1 2 . 1 1 62 62 TYR C C 62 175.036 175.036 175.127 -0.091 25451 842 1 2 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.955 0.358 25451 843 1 2 . 1 1 62 62 TYR CB C 62 38.969 38.969 39.078 -0.109 25451 844 1 2 . 1 1 62 62 TYR H H 62 7.801 7.801 8.017 -0.216 25451 845 1 2 . 1 1 63 63 LYS N N 63 117.584 117.584 116.389 1.195 25451 846 1 2 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.910 0.594 25451 847 1 2 . 1 1 63 63 LYS C C 63 173.812 173.812 173.784 0.028 25451 848 1 2 . 1 1 63 63 LYS CA C 63 56.671 56.671 57.003 -0.332 25451 849 1 2 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.102 -0.589 25451 850 1 2 . 1 1 63 63 LYS H H 63 8.098 8.098 7.761 0.337 25451 851 1 2 . 1 1 64 64 HIS N N 64 118.618 118.618 114.726 3.892 25451 852 1 2 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.714 0.243 25451 853 1 2 . 1 1 64 64 HIS C C 64 175.985 175.985 174.662 1.323 25451 854 1 2 . 1 1 64 64 HIS CA C 64 55.754 55.754 54.803 0.951 25451 855 1 2 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.120 1.813 25451 856 1 2 . 1 1 64 64 HIS H H 64 6.524 6.524 7.276 -0.752 25451 857 1 2 . 1 1 65 65 GLU N N 65 126.723 126.723 119.355 7.368 25451 858 1 2 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.614 -0.221 25451 859 1 2 . 1 1 65 65 GLU C C 65 175.346 175.346 176.104 -0.758 25451 860 1 2 . 1 1 65 65 GLU CA C 65 56.946 56.946 56.763 0.183 25451 861 1 2 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.313 0.960 25451 862 1 2 . 1 1 65 65 GLU H H 65 9.188 9.188 8.761 0.427 25451 863 1 2 . 1 1 66 66 THR N N 66 108.043 108.043 110.092 -2.049 25451 864 1 2 . 1 1 66 66 THR HA H 66 4.393 4.393 4.652 -0.259 25451 865 1 2 . 1 1 66 66 THR C C 66 174.579 174.579 172.802 1.777 25451 866 1 2 . 1 1 66 66 THR CA C 66 59.698 59.698 60.851 -1.153 25451 867 1 2 . 1 1 66 66 THR CB C 66 71.071 71.071 71.831 -0.760 25451 868 1 2 . 1 1 66 66 THR H H 66 6.296 6.296 7.583 -1.287 25451 869 1 2 . 1 1 67 67 VAL N N 67 112.473 112.473 118.604 -6.131 25451 870 1 2 . 1 1 67 67 VAL C C 67 173.027 173.027 174.131 -1.104 25451 871 1 2 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.456 -4.409 25451 872 1 2 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.913 0.269 25451 873 1 2 . 1 1 67 67 VAL H H 67 7.688 7.688 8.713 -1.025 25451 874 1 2 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.468 0.962 25451 875 1 2 . 1 1 68 68 PRO C C 68 176.405 176.405 175.461 0.944 25451 876 1 2 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.703 -0.896 25451 877 1 2 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.387 2.454 25451 878 1 2 . 1 1 69 69 ALA N N 69 124.309 124.309 122.093 2.216 25451 879 1 2 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.745 0.063 25451 880 1 2 . 1 1 69 69 ALA C C 69 175.273 175.273 176.453 -1.180 25451 881 1 2 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.252 0.099 25451 882 1 2 . 1 1 69 69 ALA CB C 69 21.725 21.725 21.003 0.722 25451 883 1 2 . 1 1 69 69 ALA H H 69 8.952 8.952 8.052 0.900 25451 884 1 2 . 1 1 70 70 ILE N N 70 124.569 124.569 122.093 2.476 25451 885 1 2 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.734 -0.184 25451 886 1 2 . 1 1 70 70 ILE C C 70 172.553 172.553 174.144 -1.591 25451 887 1 2 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.411 1.671 25451 888 1 2 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.124 -1.055 25451 889 1 2 . 1 1 70 70 ILE H H 70 8.447 8.447 8.553 -0.106 25451 890 1 2 . 1 1 71 71 PHE N N 71 127.490 127.490 124.456 3.034 25451 891 1 2 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.658 -0.435 25451 892 1 2 . 1 1 71 71 PHE C C 71 174.798 174.798 174.814 -0.016 25451 893 1 2 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.115 0.006 25451 894 1 2 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.749 -1.662 25451 895 1 2 . 1 1 71 71 PHE H H 71 9.219 9.219 9.210 0.009 25451 896 1 2 . 1 1 72 72 ILE N N 72 118.614 118.614 122.029 -3.415 25451 897 1 2 . 1 1 72 72 ILE HA H 72 5.107 5.107 4.974 0.133 25451 898 1 2 . 1 1 72 72 ILE C C 72 177.518 177.518 176.112 1.406 25451 899 1 2 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.361 0.162 25451 900 1 2 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.486 0.501 25451 901 1 2 . 1 1 72 72 ILE H H 72 8.715 8.715 8.985 -0.270 25451 902 1 2 . 1 1 73 73 ASN N N 73 129.431 129.431 126.755 2.676 25451 903 1 2 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.391 0.276 25451 904 1 2 . 1 1 73 73 ASN C C 73 175.273 175.273 175.724 -0.451 25451 905 1 2 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.532 0.029 25451 906 1 2 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.714 0.604 25451 907 1 2 . 1 1 73 73 ASN H H 73 10.691 10.691 9.505 1.186 25451 908 1 2 . 1 1 74 74 GLY N N 74 104.235 104.235 103.324 0.911 25451 909 1 2 . 1 1 74 74 GLY C C 74 172.754 172.754 174.360 -1.606 25451 910 1 2 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.406 -0.383 25451 911 1 2 . 1 1 74 74 GLY H H 74 9.529 9.529 8.886 0.643 25451 912 1 2 . 1 1 75 75 ASN N N 75 119.009 119.009 120.112 -1.103 25451 913 1 2 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.039 0.059 25451 914 1 2 . 1 1 75 75 ASN C C 75 174.269 174.269 174.036 0.233 25451 915 1 2 . 1 1 75 75 ASN CA C 75 51.626 51.626 53.213 -1.587 25451 916 1 2 . 1 1 75 75 ASN CB C 75 39.978 39.978 40.191 -0.213 25451 917 1 2 . 1 1 75 75 ASN H H 75 8.116 8.116 8.163 -0.047 25451 918 1 2 . 1 1 76 76 PHE N N 76 124.901 124.901 123.691 1.210 25451 919 1 2 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.447 -0.793 25451 920 1 2 . 1 1 76 76 PHE C C 76 175.273 175.273 174.562 0.711 25451 921 1 2 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.140 1.723 25451 922 1 2 . 1 1 76 76 PHE CB C 76 38.877 38.877 39.899 -1.022 25451 923 1 2 . 1 1 76 76 PHE H H 76 9.004 9.004 8.524 0.480 25451 924 1 2 . 1 1 77 77 ILE N N 77 126.459 126.459 127.084 -0.625 25451 925 1 2 . 1 1 77 77 ILE C C 77 174.506 174.506 173.134 1.372 25451 926 1 2 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.630 -1.125 25451 927 1 2 . 1 1 77 77 ILE CB C 77 37.410 37.410 42.370 -4.960 25451 928 1 2 . 1 1 77 77 ILE H H 77 8.161 8.161 8.426 -0.265 25451 929 1 2 . 1 1 78 78 GLY C C 78 172.005 172.005 172.990 -0.985 25451 930 1 2 . 1 1 78 78 GLY CA C 78 43.555 43.555 44.527 -0.972 25451 931 1 2 . 1 1 79 79 GLY N N 79 109.745 109.745 112.041 -2.296 25451 932 1 2 . 1 1 79 79 GLY C C 79 174.981 174.981 174.738 0.243 25451 933 1 2 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.608 -1.145 25451 934 1 2 . 1 1 79 79 GLY H H 79 9.114 9.114 7.956 1.158 25451 935 1 2 . 1 1 80 80 CYS N N 80 120.764 120.764 120.217 0.547 25451 936 1 2 . 1 1 80 80 CYS C C 80 176.533 176.533 176.841 -0.308 25451 937 1 2 . 1 1 80 80 CYS CA C 80 63.825 63.825 62.256 1.569 25451 938 1 2 . 1 1 80 80 CYS CB C 80 26.770 26.770 27.267 -0.497 25451 939 1 2 . 1 1 80 80 CYS H H 80 8.571 8.571 8.643 -0.072 25451 940 1 2 . 1 1 81 81 SER HA H 81 3.903 3.903 4.195 -0.292 25451 941 1 2 . 1 1 81 81 SER C C 81 177.318 177.318 175.588 1.730 25451 942 1 2 . 1 1 81 81 SER CA C 81 61.440 61.440 61.769 -0.329 25451 943 1 2 . 1 1 82 82 ASP N N 82 122.226 122.226 121.047 1.179 25451 944 1 2 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.386 -0.035 25451 945 1 2 . 1 1 82 82 ASP C C 82 177.993 177.993 178.254 -0.261 25451 946 1 2 . 1 1 82 82 ASP CA C 82 57.129 57.129 56.709 0.420 25451 947 1 2 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.435 1.102 25451 948 1 2 . 1 1 82 82 ASP H H 82 7.060 7.060 8.072 -1.012 25451 949 1 2 . 1 1 83 83 LEU N N 83 121.542 121.542 120.604 0.938 25451 950 1 2 . 1 1 83 83 LEU HA H 83 3.787 3.787 3.976 -0.189 25451 951 1 2 . 1 1 83 83 LEU C C 83 177.957 177.957 178.411 -0.454 25451 952 1 2 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.965 -0.103 25451 953 1 2 . 1 1 83 83 LEU CB C 83 42.087 42.087 42.013 0.074 25451 954 1 2 . 1 1 83 83 LEU H H 83 7.793 7.793 7.676 0.117 25451 955 1 2 . 1 1 84 84 GLU N N 84 117.702 117.702 118.661 -0.959 25451 956 1 2 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.922 -0.102 25451 957 1 2 . 1 1 84 84 GLU C C 84 179.161 179.161 178.825 0.336 25451 958 1 2 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.269 0.430 25451 959 1 2 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.349 0.172 25451 960 1 2 . 1 1 84 84 GLU H H 84 8.432 8.432 7.940 0.492 25451 961 1 2 . 1 1 85 85 ALA N N 85 122.903 122.903 122.519 0.384 25451 962 1 2 . 1 1 85 85 ALA HA H 85 4.177 4.177 3.979 0.198 25451 963 1 2 . 1 1 85 85 ALA C C 85 179.892 179.892 179.326 0.566 25451 964 1 2 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.152 0.143 25451 965 1 2 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.338 -0.557 25451 966 1 2 . 1 1 85 85 ALA H H 85 7.890 7.890 8.190 -0.300 25451 967 1 2 . 1 1 86 86 LEU N N 86 118.087 118.087 118.078 0.009 25451 968 1 2 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.973 0.046 25451 969 1 2 . 1 1 86 86 LEU C C 86 179.764 179.764 178.216 1.548 25451 970 1 2 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.134 0.546 25451 971 1 2 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.529 1.292 25451 972 1 2 . 1 1 86 86 LEU H H 86 7.567 7.567 7.582 -0.015 25451 973 1 2 . 1 1 87 87 ASP N N 87 119.239 119.239 119.055 0.184 25451 974 1 2 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.372 0.129 25451 975 1 2 . 1 1 87 87 ASP C C 87 179.563 179.563 178.875 0.688 25451 976 1 2 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.278 -0.424 25451 977 1 2 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.464 1.532 25451 978 1 2 . 1 1 87 87 ASP H H 87 7.985 7.985 7.664 0.321 25451 979 1 2 . 1 1 88 88 LYS N N 88 121.741 121.741 120.155 1.586 25451 980 1 2 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.107 -0.071 25451 981 1 2 . 1 1 88 88 LYS C C 88 178.778 178.778 178.706 0.072 25451 982 1 2 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.240 0.907 25451 983 1 2 . 1 1 88 88 LYS CB C 88 32.182 32.182 31.862 0.320 25451 984 1 2 . 1 1 88 88 LYS H H 88 8.461 8.461 8.077 0.384 25451 985 1 2 . 1 1 89 89 GLU N N 89 115.496 115.496 116.863 -1.367 25451 986 1 2 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.319 -0.009 25451 987 1 2 . 1 1 89 89 GLU C C 89 176.806 176.806 177.219 -0.413 25451 988 1 2 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.069 0.143 25451 989 1 2 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.679 0.668 25451 990 1 2 . 1 1 89 89 GLU H H 89 7.838 7.838 7.736 0.102 25451 991 1 2 . 1 1 90 90 GLY N N 90 108.622 108.622 107.760 0.862 25451 992 1 2 . 1 1 90 90 GLY C C 90 175.985 175.985 175.273 0.712 25451 993 1 2 . 1 1 90 90 GLY CA C 90 46.215 46.215 46.084 0.131 25451 994 1 2 . 1 1 90 90 GLY H H 90 7.992 7.992 8.158 -0.166 25451 995 1 2 . 1 1 91 91 LYS N N 91 117.355 117.355 120.106 -2.751 25451 996 1 2 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.340 -0.014 25451 997 1 2 . 1 1 91 91 LYS C C 91 177.518 177.518 177.386 0.132 25451 998 1 2 . 1 1 91 91 LYS CA C 91 56.487 56.487 56.935 -0.448 25451 999 1 2 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.585 2.532 25451 1000 1 2 . 1 1 91 91 LYS H H 91 8.047 8.047 8.084 -0.037 25451 1001 1 2 . 1 1 92 92 LEU N N 92 121.641 121.641 121.127 0.514 25451 1002 1 2 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.023 -0.070 25451 1003 1 2 . 1 1 92 92 LEU C C 92 177.518 177.518 177.229 0.289 25451 1004 1 2 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.773 -0.277 25451 1005 1 2 . 1 1 92 92 LEU CB C 92 41.170 41.170 41.805 -0.635 25451 1006 1 2 . 1 1 92 92 LEU H H 92 7.582 7.582 7.527 0.055 25451 1007 1 2 . 1 1 93 93 ASP N N 93 118.032 118.032 118.696 -0.664 25451 1008 1 2 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.338 -0.120 25451 1009 1 2 . 1 1 93 93 ASP C C 93 179.344 179.344 178.869 0.475 25451 1010 1 2 . 1 1 93 93 ASP CA C 93 57.955 57.955 57.890 0.065 25451 1011 1 2 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.234 -0.348 25451 1012 1 2 . 1 1 93 93 ASP H H 93 8.194 8.194 8.409 -0.215 25451 1013 1 2 . 1 1 94 94 GLY N N 94 107.012 107.012 108.722 -1.710 25451 1014 1 2 . 1 1 94 94 GLY C C 94 176.368 176.368 176.287 0.081 25451 1015 1 2 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.802 -0.404 25451 1016 1 2 . 1 1 94 94 GLY H H 94 8.271 8.271 7.642 0.629 25451 1017 1 2 . 1 1 95 95 LEU N N 95 120.472 120.472 120.715 -0.243 25451 1018 1 2 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.149 0.103 25451 1019 1 2 . 1 1 95 95 LEU C C 95 178.285 178.285 178.397 -0.112 25451 1020 1 2 . 1 1 95 95 LEU CA C 95 56.487 56.487 55.896 0.591 25451 1021 1 2 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.004 0.725 25451 1022 1 2 . 1 1 95 95 LEU H H 95 7.475 7.475 7.902 -0.427 25451 1023 1 2 . 1 1 96 96 LEU N N 96 116.181 116.181 118.048 -1.867 25451 1024 1 2 . 1 1 96 96 LEU HA H 96 4.260 4.260 3.973 0.287 25451 1025 1 2 . 1 1 96 96 LEU C C 96 176.186 176.186 177.601 -1.415 25451 1026 1 2 . 1 1 96 96 LEU CA C 96 54.561 54.561 56.288 -1.727 25451 1027 1 2 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.615 0.656 25451 1028 1 2 . 1 1 96 96 LEU H H 96 7.394 7.394 7.307 0.087 25451 1029 1 3 . 1 1 5 5 SER HA H 5 4.492 4.492 4.699 -0.207 25451 1030 1 3 . 1 1 5 5 SER C C 5 176.496 176.496 175.825 0.671 25451 1031 1 3 . 1 1 5 5 SER CA C 5 59.422 59.422 56.724 2.699 25451 1032 1 3 . 1 1 5 5 SER CB C 5 64.100 64.100 65.313 -1.213 25451 1033 1 3 . 1 1 6 6 ILE N N 6 120.626 120.626 118.965 1.661 25451 1034 1 3 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.953 -0.142 25451 1035 1 3 . 1 1 6 6 ILE C C 6 176.952 176.952 176.931 0.021 25451 1036 1 3 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.370 0.730 25451 1037 1 3 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.957 -0.547 25451 1038 1 3 . 1 1 6 6 ILE H H 6 9.168 9.168 8.418 0.750 25451 1039 1 3 . 1 1 7 7 ALA N N 7 122.320 122.320 122.605 -0.285 25451 1040 1 3 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.878 0.016 25451 1041 1 3 . 1 1 7 7 ALA C C 7 179.837 179.837 178.869 0.968 25451 1042 1 3 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.457 0.746 25451 1043 1 3 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.944 0.204 25451 1044 1 3 . 1 1 7 7 ALA H H 7 7.882 7.882 8.144 -0.262 25451 1045 1 3 . 1 1 8 8 SER N N 8 110.329 110.329 113.435 -3.106 25451 1046 1 3 . 1 1 8 8 SER HA H 8 4.227 4.227 4.246 -0.019 25451 1047 1 3 . 1 1 8 8 SER C C 8 177.409 177.409 176.940 0.469 25451 1048 1 3 . 1 1 8 8 SER CA C 8 60.156 60.156 60.480 -0.324 25451 1049 1 3 . 1 1 8 8 SER CB C 8 62.908 62.908 63.226 -0.318 25451 1050 1 3 . 1 1 8 8 SER H H 8 7.647 7.647 7.575 0.072 25451 1051 1 3 . 1 1 9 9 MET N N 9 122.133 122.133 121.780 0.353 25451 1052 1 3 . 1 1 9 9 MET HA H 9 4.127 4.127 4.136 -0.009 25451 1053 1 3 . 1 1 9 9 MET C C 9 180.841 180.841 178.359 2.482 25451 1054 1 3 . 1 1 9 9 MET CA C 9 59.147 59.147 58.712 0.435 25451 1055 1 3 . 1 1 9 9 MET CB C 9 35.025 35.025 32.488 2.537 25451 1056 1 3 . 1 1 9 9 MET H H 9 7.787 7.787 7.735 0.052 25451 1057 1 3 . 1 1 10 10 ILE N N 10 115.009 115.009 117.865 -2.856 25451 1058 1 3 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.749 0.013 25451 1059 1 3 . 1 1 10 10 ILE C C 10 174.981 174.981 177.694 -2.713 25451 1060 1 3 . 1 1 10 10 ILE CA C 10 65.293 65.293 62.733 2.560 25451 1061 1 3 . 1 1 10 10 ILE CB C 10 37.776 37.776 35.825 1.951 25451 1062 1 3 . 1 1 10 10 ILE H H 10 8.315 8.315 7.648 0.667 25451 1063 1 3 . 1 1 11 11 LYS N N 11 117.153 117.153 118.683 -1.530 25451 1064 1 3 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.286 0.223 25451 1065 1 3 . 1 1 11 11 LYS C C 11 177.774 177.774 178.095 -0.321 25451 1066 1 3 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.492 -2.013 25451 1067 1 3 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.259 0.014 25451 1068 1 3 . 1 1 11 11 LYS H H 11 6.877 6.877 7.660 -0.783 25451 1069 1 3 . 1 1 12 12 GLY N N 12 106.134 106.134 107.521 -1.387 25451 1070 1 3 . 1 1 12 12 GLY C C 12 172.553 172.553 174.495 -1.942 25451 1071 1 3 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.273 1.033 25451 1072 1 3 . 1 1 12 12 GLY H H 12 7.757 7.757 7.973 -0.216 25451 1073 1 3 . 1 1 13 13 ASN N N 13 115.402 115.402 116.190 -0.788 25451 1074 1 3 . 1 1 13 13 ASN HA H 13 4.592 4.592 5.054 -0.462 25451 1075 1 3 . 1 1 13 13 ASN C C 13 174.068 174.068 174.268 -0.200 25451 1076 1 3 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.285 -2.126 25451 1077 1 3 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.807 -0.912 25451 1078 1 3 . 1 1 13 13 ASN H H 13 7.214 7.214 7.391 -0.177 25451 1079 1 3 . 1 1 14 14 LYS N N 14 122.033 122.033 120.493 1.540 25451 1080 1 3 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.161 -0.092 25451 1081 1 3 . 1 1 14 14 LYS C C 14 176.533 176.533 176.344 0.189 25451 1082 1 3 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.255 1.718 25451 1083 1 3 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.538 -1.998 25451 1084 1 3 . 1 1 14 14 LYS H H 14 8.351 8.351 8.350 0.001 25451 1085 1 3 . 1 1 15 15 VAL N N 15 117.450 117.450 116.032 1.418 25451 1086 1 3 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.170 -0.146 25451 1087 1 3 . 1 1 15 15 VAL C C 15 174.543 174.543 174.404 0.139 25451 1088 1 3 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.331 0.008 25451 1089 1 3 . 1 1 15 15 VAL CB C 15 32.732 32.732 35.611 -2.879 25451 1090 1 3 . 1 1 15 15 VAL H H 15 8.021 8.021 8.185 -0.164 25451 1091 1 3 . 1 1 16 16 VAL N N 16 128.604 128.604 125.412 3.192 25451 1092 1 3 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.037 -0.146 25451 1093 1 3 . 1 1 16 16 VAL C C 16 173.922 173.922 174.332 -0.410 25451 1094 1 3 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.231 1.117 25451 1095 1 3 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.442 -0.234 25451 1096 1 3 . 1 1 16 16 VAL H H 16 8.909 8.909 9.041 -0.132 25451 1097 1 3 . 1 1 17 17 VAL N N 17 126.814 126.814 124.217 2.597 25451 1098 1 3 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.001 0.014 25451 1099 1 3 . 1 1 17 17 VAL C C 17 173.593 173.593 174.332 -0.739 25451 1100 1 3 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.043 -0.162 25451 1101 1 3 . 1 1 17 17 VAL CB C 17 35.483 35.483 36.150 -0.666 25451 1102 1 3 . 1 1 17 17 VAL H H 17 8.359 8.359 8.742 -0.383 25451 1103 1 3 . 1 1 18 18 PHE N N 18 125.697 125.697 123.754 1.943 25451 1104 1 3 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.357 0.057 25451 1105 1 3 . 1 1 18 18 PHE C C 18 175.364 175.364 175.233 0.131 25451 1106 1 3 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.408 0.721 25451 1107 1 3 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.243 -1.907 25451 1108 1 3 . 1 1 18 18 PHE H H 18 9.015 9.015 8.768 0.247 25451 1109 1 3 . 1 1 19 19 SER N N 19 120.570 120.570 116.817 3.753 25451 1110 1 3 . 1 1 19 19 SER HA H 19 5.215 5.215 5.095 0.120 25451 1111 1 3 . 1 1 19 19 SER C C 19 173.539 173.539 173.351 0.188 25451 1112 1 3 . 1 1 19 19 SER CA C 19 57.863 57.863 57.377 0.486 25451 1113 1 3 . 1 1 19 19 SER CB C 19 69.512 69.512 66.657 2.855 25451 1114 1 3 . 1 1 19 19 SER H H 19 9.137 9.137 9.023 0.114 25451 1115 1 3 . 1 1 20 20 TRP N N 20 122.520 122.520 123.367 -0.847 25451 1116 1 3 . 1 1 20 20 TRP HA H 20 5.945 5.945 4.968 0.977 25451 1117 1 3 . 1 1 20 20 TRP C C 20 178.030 178.030 175.109 2.921 25451 1118 1 3 . 1 1 20 20 TRP CA C 20 54.011 54.011 56.574 -2.563 25451 1119 1 3 . 1 1 20 20 TRP CB C 20 33.190 33.190 32.007 1.183 25451 1120 1 3 . 1 1 20 20 TRP H H 20 8.520 8.520 8.198 0.322 25451 1121 1 3 . 1 1 21 21 VAL N N 21 124.864 124.864 121.285 3.579 25451 1122 1 3 . 1 1 21 21 VAL C C 21 177.208 177.208 176.262 0.946 25451 1123 1 3 . 1 1 21 21 VAL CA C 21 65.384 65.384 61.127 4.257 25451 1124 1 3 . 1 1 21 21 VAL CB C 21 32.273 32.273 31.814 0.458 25451 1125 1 3 . 1 1 21 21 VAL H H 21 9.956 9.956 8.062 1.894 25451 1126 1 3 . 1 1 22 22 THR HA H 22 4.542 4.542 4.557 -0.015 25451 1127 1 3 . 1 1 22 22 THR C C 22 174.269 174.269 173.256 1.013 25451 1128 1 3 . 1 1 22 22 THR CA C 22 60.982 60.982 62.417 -1.435 25451 1129 1 3 . 1 1 22 22 THR CB C 22 69.237 69.237 69.603 -0.366 25451 1130 1 3 . 1 1 23 23 CYS N N 23 127.689 127.689 126.250 1.439 25451 1131 1 3 . 1 1 23 23 CYS C C 23 175.054 175.054 173.598 1.456 25451 1132 1 3 . 1 1 23 23 CYS CA C 23 56.396 56.396 55.347 1.049 25451 1133 1 3 . 1 1 23 23 CYS CB C 23 32.273 32.273 30.332 1.941 25451 1134 1 3 . 1 1 23 23 CYS H H 23 7.013 7.013 8.382 -1.369 25451 1135 1 3 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.310 -0.009 25451 1136 1 3 . 1 1 24 24 PRO C C 24 180.202 180.202 176.711 3.491 25451 1137 1 3 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.521 -0.054 25451 1138 1 3 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.186 0.997 25451 1139 1 3 . 1 1 25 25 TYR N N 25 126.810 126.810 118.424 8.386 25451 1140 1 3 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.543 -0.233 25451 1141 1 3 . 1 1 25 25 TYR C C 25 178.632 178.632 178.030 0.602 25451 1142 1 3 . 1 1 25 25 TYR CA C 25 61.715 61.715 59.937 1.778 25451 1143 1 3 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.377 0.399 25451 1144 1 3 . 1 1 25 25 TYR H H 25 9.569 9.569 7.317 2.252 25451 1145 1 3 . 1 1 26 26 CYS N N 26 127.984 127.984 118.862 9.122 25451 1146 1 3 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.233 -0.214 25451 1147 1 3 . 1 1 26 26 CYS C C 26 176.642 176.642 177.031 -0.389 25451 1148 1 3 . 1 1 26 26 CYS CA C 26 64.559 64.559 63.730 0.829 25451 1149 1 3 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.748 1.490 25451 1150 1 3 . 1 1 26 26 CYS H H 26 9.239 9.239 8.202 1.037 25451 1151 1 3 . 1 1 27 27 VAL N N 27 121.054 121.054 120.569 0.485 25451 1152 1 3 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.719 -0.132 25451 1153 1 3 . 1 1 27 27 VAL C C 27 178.614 178.614 176.963 1.651 25451 1154 1 3 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.520 0.240 25451 1155 1 3 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.484 0.606 25451 1156 1 3 . 1 1 27 27 VAL H H 27 8.402 8.402 7.769 0.633 25451 1157 1 3 . 1 1 28 28 ARG N N 28 119.686 119.686 118.960 0.726 25451 1158 1 3 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.988 -0.027 25451 1159 1 3 . 1 1 28 28 ARG C C 28 178.742 178.742 178.515 0.227 25451 1160 1 3 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.655 -0.049 25451 1161 1 3 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.844 0.778 25451 1162 1 3 . 1 1 28 28 ARG H H 28 7.655 7.655 8.304 -0.649 25451 1163 1 3 . 1 1 29 29 ALA N N 29 122.324 122.324 122.301 0.023 25451 1164 1 3 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.097 -0.086 25451 1165 1 3 . 1 1 29 29 ALA C C 29 178.906 178.906 179.436 -0.530 25451 1166 1 3 . 1 1 29 29 ALA CA C 29 55.112 55.112 54.925 0.187 25451 1167 1 3 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.479 0.128 25451 1168 1 3 . 1 1 29 29 ALA H H 29 8.175 8.175 7.812 0.363 25451 1169 1 3 . 1 1 30 30 GLU N N 30 117.151 117.151 118.732 -1.581 25451 1170 1 3 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.915 -0.378 25451 1171 1 3 . 1 1 30 30 GLU C C 30 178.030 178.030 179.153 -1.123 25451 1172 1 3 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.684 0.932 25451 1173 1 3 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.577 -0.055 25451 1174 1 3 . 1 1 30 30 GLU H H 30 8.689 8.689 8.610 0.079 25451 1175 1 3 . 1 1 31 31 LYS N N 31 119.597 119.597 120.105 -0.508 25451 1176 1 3 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.142 -0.106 25451 1177 1 3 . 1 1 31 31 LYS C C 31 179.746 179.746 178.968 0.778 25451 1178 1 3 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.808 -0.019 25451 1179 1 3 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.599 -0.051 25451 1180 1 3 . 1 1 31 31 LYS H H 31 8.359 8.359 8.324 0.035 25451 1181 1 3 . 1 1 32 32 LEU N N 32 121.147 121.147 120.502 0.645 25451 1182 1 3 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.106 -0.054 25451 1183 1 3 . 1 1 32 32 LEU C C 32 179.198 179.198 178.483 0.715 25451 1184 1 3 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.781 0.724 25451 1185 1 3 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.162 1.017 25451 1186 1 3 . 1 1 32 32 LEU H H 32 7.610 7.610 7.580 0.030 25451 1187 1 3 . 1 1 33 33 LEU N N 33 118.120 118.120 119.075 -0.955 25451 1188 1 3 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.712 0.050 25451 1189 1 3 . 1 1 33 33 LEU C C 33 179.234 179.234 178.918 0.316 25451 1190 1 3 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.579 -0.165 25451 1191 1 3 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.443 1.011 25451 1192 1 3 . 1 1 33 33 LEU H H 33 7.904 7.904 8.475 -0.571 25451 1193 1 3 . 1 1 34 34 HIS N N 34 117.939 117.939 117.127 0.812 25451 1194 1 3 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.362 0.271 25451 1195 1 3 . 1 1 34 34 HIS C C 34 176.879 176.879 177.368 -0.489 25451 1196 1 3 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.315 0.107 25451 1197 1 3 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.903 0.169 25451 1198 1 3 . 1 1 34 34 HIS H H 34 8.876 8.876 7.726 1.150 25451 1199 1 3 . 1 1 35 35 ALA N N 35 118.133 118.133 120.598 -2.465 25451 1200 1 3 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.210 0.075 25451 1201 1 3 . 1 1 35 35 ALA C C 35 178.395 178.395 178.886 -0.491 25451 1202 1 3 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.158 -0.973 25451 1203 1 3 . 1 1 35 35 ALA CB C 35 18.515 18.515 19.128 -0.613 25451 1204 1 3 . 1 1 35 35 ALA H H 35 7.229 7.229 7.804 -0.575 25451 1205 1 3 . 1 1 36 36 ARG N N 36 115.692 115.692 115.190 0.502 25451 1206 1 3 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.700 -0.258 25451 1207 1 3 . 1 1 36 36 ARG C C 36 175.693 175.693 175.304 0.389 25451 1208 1 3 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.233 0.513 25451 1209 1 3 . 1 1 36 36 ARG CB C 36 32.548 32.548 29.814 2.734 25451 1210 1 3 . 1 1 36 36 ARG H H 36 7.647 7.647 8.021 -0.374 25451 1211 1 3 . 1 1 37 37 THR N N 37 114.964 114.964 108.429 6.535 25451 1212 1 3 . 1 1 37 37 THR HA H 37 4.651 4.651 3.881 0.770 25451 1213 1 3 . 1 1 37 37 THR C C 37 170.636 170.636 173.665 -3.029 25451 1214 1 3 . 1 1 37 37 THR CA C 37 60.523 60.523 63.524 -3.001 25451 1215 1 3 . 1 1 37 37 THR CB C 37 68.870 68.870 66.724 2.146 25451 1216 1 3 . 1 1 37 37 THR H H 37 8.087 8.087 7.886 0.201 25451 1217 1 3 . 1 1 38 38 LYS N N 38 121.835 121.835 122.677 -0.842 25451 1218 1 3 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.163 0.504 25451 1219 1 3 . 1 1 38 38 LYS C C 38 178.139 178.139 175.784 2.355 25451 1220 1 3 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.294 0.001 25451 1221 1 3 . 1 1 38 38 LYS CB C 38 32.732 32.732 31.983 0.749 25451 1222 1 3 . 1 1 38 38 LYS H H 38 8.299 8.299 7.998 0.301 25451 1223 1 3 . 1 1 39 39 ASP N N 39 128.517 128.517 126.294 2.223 25451 1224 1 3 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.437 0.446 25451 1225 1 3 . 1 1 39 39 ASP C C 39 172.754 172.754 174.994 -2.240 25451 1226 1 3 . 1 1 39 39 ASP CA C 39 54.103 54.103 55.035 -0.932 25451 1227 1 3 . 1 1 39 39 ASP CB C 39 40.987 40.987 41.092 -0.104 25451 1228 1 3 . 1 1 39 39 ASP H H 39 8.823 8.823 8.525 0.298 25451 1229 1 3 . 1 1 40 40 ILE N N 40 116.959 116.959 124.943 -7.984 25451 1230 1 3 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.941 0.332 25451 1231 1 3 . 1 1 40 40 ILE C C 40 174.470 174.470 174.880 -0.410 25451 1232 1 3 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.044 -2.006 25451 1233 1 3 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.528 0.192 25451 1234 1 3 . 1 1 40 40 ILE H H 40 7.273 7.273 7.687 -0.414 25451 1235 1 3 . 1 1 41 41 THR N N 41 125.545 125.545 123.801 1.744 25451 1236 1 3 . 1 1 41 41 THR HA H 41 4.260 4.260 4.622 -0.362 25451 1237 1 3 . 1 1 41 41 THR C C 41 171.476 171.476 172.338 -0.862 25451 1238 1 3 . 1 1 41 41 THR CA C 41 61.807 61.807 61.227 0.580 25451 1239 1 3 . 1 1 41 41 THR CB C 41 72.172 72.172 70.617 1.556 25451 1240 1 3 . 1 1 41 41 THR H H 41 8.564 8.564 8.270 0.294 25451 1241 1 3 . 1 1 42 42 VAL N N 42 126.913 126.913 127.568 -0.655 25451 1242 1 3 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.714 -0.471 25451 1243 1 3 . 1 1 42 42 VAL C C 42 174.086 174.086 174.413 -0.327 25451 1244 1 3 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.900 0.348 25451 1245 1 3 . 1 1 42 42 VAL CB C 42 32.824 32.824 33.095 -0.271 25451 1246 1 3 . 1 1 42 42 VAL H H 42 8.271 8.271 8.377 -0.106 25451 1247 1 3 . 1 1 43 43 HIS N N 43 127.392 127.392 129.055 -1.663 25451 1248 1 3 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.764 -0.197 25451 1249 1 3 . 1 1 43 43 HIS C C 43 174.543 174.543 173.500 1.043 25451 1250 1 3 . 1 1 43 43 HIS CA C 43 54.103 54.103 53.920 0.183 25451 1251 1 3 . 1 1 43 43 HIS CB C 43 31.815 31.815 32.180 -0.365 25451 1252 1 3 . 1 1 43 43 HIS H H 43 8.829 8.829 8.860 -0.031 25451 1253 1 3 . 1 1 44 44 TYR N N 44 126.221 126.221 127.215 -0.994 25451 1254 1 3 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.955 0.251 25451 1255 1 3 . 1 1 44 44 TYR C C 44 177.865 177.865 176.558 1.307 25451 1256 1 3 . 1 1 44 44 TYR CA C 44 57.313 57.313 55.972 1.341 25451 1257 1 3 . 1 1 44 44 TYR CB C 44 35.850 35.850 36.612 -0.762 25451 1258 1 3 . 1 1 44 44 TYR H H 44 8.938 8.938 9.046 -0.108 25451 1259 1 3 . 1 1 45 45 VAL N N 45 120.086 120.086 118.360 1.726 25451 1260 1 3 . 1 1 45 45 VAL HA H 45 4.351 4.351 3.787 0.564 25451 1261 1 3 . 1 1 45 45 VAL C C 45 176.952 176.952 176.734 0.218 25451 1262 1 3 . 1 1 45 45 VAL CA C 45 63.917 63.917 64.153 -0.236 25451 1263 1 3 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.156 0.108 25451 1264 1 3 . 1 1 45 45 VAL H H 45 9.037 9.037 7.989 1.048 25451 1265 1 3 . 1 1 46 46 ASP N N 46 118.427 118.427 121.018 -2.591 25451 1266 1 3 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.169 0.240 25451 1267 1 3 . 1 1 46 46 ASP C C 46 176.989 176.989 177.010 -0.021 25451 1268 1 3 . 1 1 46 46 ASP CA C 46 54.745 54.745 55.867 -1.122 25451 1269 1 3 . 1 1 46 46 ASP CB C 46 36.859 36.859 41.051 -4.192 25451 1270 1 3 . 1 1 46 46 ASP H H 46 10.711 10.711 8.183 2.528 25451 1271 1 3 . 1 1 47 47 LYS N N 47 119.396 119.396 118.565 0.831 25451 1272 1 3 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.130 0.412 25451 1273 1 3 . 1 1 47 47 LYS C C 47 176.350 176.350 177.607 -1.257 25451 1274 1 3 . 1 1 47 47 LYS CA C 47 55.020 55.020 57.093 -2.073 25451 1275 1 3 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.063 -0.423 25451 1276 1 3 . 1 1 47 47 LYS H H 47 7.801 7.801 7.724 0.077 25451 1277 1 3 . 1 1 48 48 MET N N 48 118.957 118.957 120.540 -1.583 25451 1278 1 3 . 1 1 48 48 MET C C 48 177.500 177.500 176.763 0.737 25451 1279 1 3 . 1 1 48 48 MET CA C 48 54.928 54.928 54.154 0.774 25451 1280 1 3 . 1 1 48 48 MET CB C 48 36.492 36.492 32.450 4.042 25451 1281 1 3 . 1 1 48 48 MET H H 48 7.331 7.331 7.849 -0.518 25451 1282 1 3 . 1 1 49 49 SER HA H 49 4.260 4.260 4.200 0.060 25451 1283 1 3 . 1 1 49 49 SER C C 49 176.898 176.898 176.432 0.466 25451 1284 1 3 . 1 1 49 49 SER CA C 49 61.899 61.899 60.882 1.017 25451 1285 1 3 . 1 1 50 50 GLU N N 50 121.350 121.350 122.397 -1.047 25451 1286 1 3 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.211 0.539 25451 1287 1 3 . 1 1 50 50 GLU C C 50 176.971 176.971 178.450 -1.479 25451 1288 1 3 . 1 1 50 50 GLU CA C 50 56.487 56.487 57.297 -0.810 25451 1289 1 3 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.504 -1.266 25451 1290 1 3 . 1 1 50 50 GLU H H 50 10.024 10.024 7.886 2.138 25451 1291 1 3 . 1 1 51 51 GLY N N 51 109.546 109.546 108.337 1.209 25451 1292 1 3 . 1 1 51 51 GLY C C 51 175.602 175.602 176.014 -0.412 25451 1293 1 3 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.102 1.772 25451 1294 1 3 . 1 1 51 51 GLY H H 51 8.124 8.124 8.176 -0.052 25451 1295 1 3 . 1 1 52 52 GLU N N 52 120.614 120.614 121.044 -0.430 25451 1296 1 3 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.089 0.113 25451 1297 1 3 . 1 1 52 52 GLU C C 52 180.056 180.056 178.845 1.211 25451 1298 1 3 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.668 -0.246 25451 1299 1 3 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.413 -0.442 25451 1300 1 3 . 1 1 52 52 GLU H H 52 8.821 8.821 8.017 0.804 25451 1301 1 3 . 1 1 53 53 GLN N N 53 123.591 123.591 119.165 4.426 25451 1302 1 3 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.158 -0.014 25451 1303 1 3 . 1 1 53 53 GLN C C 53 179.600 179.600 178.660 0.940 25451 1304 1 3 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.683 0.373 25451 1305 1 3 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.709 -1.022 25451 1306 1 3 . 1 1 53 53 GLN H H 53 8.117 8.117 8.085 0.032 25451 1307 1 3 . 1 1 54 54 LEU N N 54 120.960 120.960 119.750 1.210 25451 1308 1 3 . 1 1 54 54 LEU HA H 54 4.011 4.011 4.082 -0.071 25451 1309 1 3 . 1 1 54 54 LEU C C 54 179.417 179.417 178.962 0.455 25451 1310 1 3 . 1 1 54 54 LEU CA C 54 57.863 57.863 56.962 0.901 25451 1311 1 3 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.918 -0.482 25451 1312 1 3 . 1 1 54 54 LEU H H 54 8.249 8.249 7.466 0.783 25451 1313 1 3 . 1 1 55 55 ARG N N 55 118.038 118.038 120.449 -2.411 25451 1314 1 3 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.959 -0.164 25451 1315 1 3 . 1 1 55 55 ARG C C 55 180.439 180.439 178.722 1.717 25451 1316 1 3 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.587 1.028 25451 1317 1 3 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.899 -0.377 25451 1318 1 3 . 1 1 55 55 ARG H H 55 8.402 8.402 8.699 -0.297 25451 1319 1 3 . 1 1 56 56 GLY N N 56 110.675 110.675 107.713 2.962 25451 1320 1 3 . 1 1 56 56 GLY C C 56 176.350 176.350 175.991 0.359 25451 1321 1 3 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.225 -0.001 25451 1322 1 3 . 1 1 56 56 GLY H H 56 8.376 8.376 8.280 0.096 25451 1323 1 3 . 1 1 57 57 GLU N N 57 124.469 124.469 121.700 2.769 25451 1324 1 3 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.065 0.012 25451 1325 1 3 . 1 1 57 57 GLU C C 57 180.184 180.184 179.041 1.143 25451 1326 1 3 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.843 0.763 25451 1327 1 3 . 1 1 57 57 GLU CB C 57 29.980 29.980 28.983 0.997 25451 1328 1 3 . 1 1 57 57 GLU H H 57 8.146 8.146 7.435 0.711 25451 1329 1 3 . 1 1 58 58 ILE N N 58 121.352 121.352 120.450 0.902 25451 1330 1 3 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.851 -0.164 25451 1331 1 3 . 1 1 58 58 ILE C C 58 178.030 178.030 177.657 0.373 25451 1332 1 3 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.267 0.301 25451 1333 1 3 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.934 0.393 25451 1334 1 3 . 1 1 58 58 ILE H H 58 8.201 8.201 7.468 0.733 25451 1335 1 3 . 1 1 59 59 TYR N N 59 121.934 121.934 121.196 0.738 25451 1336 1 3 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.372 -0.237 25451 1337 1 3 . 1 1 59 59 TYR C C 59 178.322 178.322 178.420 -0.098 25451 1338 1 3 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.597 0.394 25451 1339 1 3 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.738 -0.778 25451 1340 1 3 . 1 1 59 59 TYR H H 59 8.256 8.256 8.475 -0.219 25451 1341 1 3 . 1 1 60 60 GLN N N 60 119.694 119.694 117.510 2.184 25451 1342 1 3 . 1 1 60 60 GLN HA H 60 3.679 3.679 3.999 -0.320 25451 1343 1 3 . 1 1 60 60 GLN C C 60 177.336 177.336 178.046 -0.710 25451 1344 1 3 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.729 0.051 25451 1345 1 3 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.042 0.471 25451 1346 1 3 . 1 1 60 60 GLN H H 60 8.512 8.512 8.415 0.097 25451 1347 1 3 . 1 1 61 61 ALA N N 61 117.444 117.444 120.634 -3.190 25451 1348 1 3 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.999 -0.030 25451 1349 1 3 . 1 1 61 61 ALA C C 61 179.180 179.180 178.974 0.206 25451 1350 1 3 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.704 0.032 25451 1351 1 3 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.216 0.941 25451 1352 1 3 . 1 1 61 61 ALA H H 61 7.749 7.749 7.425 0.324 25451 1353 1 3 . 1 1 62 62 TYR N N 62 113.265 113.265 114.099 -0.834 25451 1354 1 3 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.622 -0.097 25451 1355 1 3 . 1 1 62 62 TYR C C 62 175.036 175.036 175.156 -0.120 25451 1356 1 3 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.636 0.677 25451 1357 1 3 . 1 1 62 62 TYR CB C 62 38.969 38.969 39.106 -0.137 25451 1358 1 3 . 1 1 62 62 TYR H H 62 7.801 7.801 7.971 -0.170 25451 1359 1 3 . 1 1 63 63 LYS N N 63 117.584 117.584 115.548 2.036 25451 1360 1 3 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.958 0.546 25451 1361 1 3 . 1 1 63 63 LYS C C 63 173.812 173.812 174.611 -0.799 25451 1362 1 3 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.928 -0.257 25451 1363 1 3 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.739 -1.226 25451 1364 1 3 . 1 1 63 63 LYS H H 63 8.098 8.098 7.886 0.212 25451 1365 1 3 . 1 1 64 64 HIS N N 64 118.618 118.618 114.961 3.657 25451 1366 1 3 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.560 0.397 25451 1367 1 3 . 1 1 64 64 HIS C C 64 175.985 175.985 174.648 1.337 25451 1368 1 3 . 1 1 64 64 HIS CA C 64 55.754 55.754 54.577 1.177 25451 1369 1 3 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.643 1.290 25451 1370 1 3 . 1 1 64 64 HIS H H 64 6.524 6.524 7.273 -0.749 25451 1371 1 3 . 1 1 65 65 GLU N N 65 126.723 126.723 120.583 6.140 25451 1372 1 3 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.503 -0.110 25451 1373 1 3 . 1 1 65 65 GLU C C 65 175.346 175.346 176.832 -1.486 25451 1374 1 3 . 1 1 65 65 GLU CA C 65 56.946 56.946 57.195 -0.249 25451 1375 1 3 . 1 1 65 65 GLU CB C 65 32.273 32.273 30.903 1.370 25451 1376 1 3 . 1 1 65 65 GLU H H 65 9.188 9.188 8.889 0.299 25451 1377 1 3 . 1 1 66 66 THR N N 66 108.043 108.043 113.564 -5.521 25451 1378 1 3 . 1 1 66 66 THR HA H 66 4.393 4.393 4.557 -0.164 25451 1379 1 3 . 1 1 66 66 THR C C 66 174.579 174.579 173.661 0.918 25451 1380 1 3 . 1 1 66 66 THR CA C 66 59.698 59.698 61.419 -1.721 25451 1381 1 3 . 1 1 66 66 THR CB C 66 71.071 71.071 70.822 0.249 25451 1382 1 3 . 1 1 66 66 THR H H 66 6.296 6.296 7.540 -1.244 25451 1383 1 3 . 1 1 67 67 VAL N N 67 112.473 112.473 119.742 -7.269 25451 1384 1 3 . 1 1 67 67 VAL C C 67 173.027 173.027 173.820 -0.793 25451 1385 1 3 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.189 -4.142 25451 1386 1 3 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.815 0.367 25451 1387 1 3 . 1 1 67 67 VAL H H 67 7.688 7.688 8.779 -1.091 25451 1388 1 3 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.508 0.922 25451 1389 1 3 . 1 1 68 68 PRO C C 68 176.405 176.405 175.430 0.975 25451 1390 1 3 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.531 -0.724 25451 1391 1 3 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.467 2.374 25451 1392 1 3 . 1 1 69 69 ALA N N 69 124.309 124.309 121.527 2.782 25451 1393 1 3 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.644 0.164 25451 1394 1 3 . 1 1 69 69 ALA C C 69 175.273 175.273 176.413 -1.140 25451 1395 1 3 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.341 0.010 25451 1396 1 3 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.515 1.210 25451 1397 1 3 . 1 1 69 69 ALA H H 69 8.952 8.952 7.905 1.047 25451 1398 1 3 . 1 1 70 70 ILE N N 70 124.569 124.569 122.512 2.057 25451 1399 1 3 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.713 -0.163 25451 1400 1 3 . 1 1 70 70 ILE C C 70 172.553 172.553 174.048 -1.495 25451 1401 1 3 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.234 1.848 25451 1402 1 3 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.096 -1.028 25451 1403 1 3 . 1 1 70 70 ILE H H 70 8.447 8.447 8.366 0.081 25451 1404 1 3 . 1 1 71 71 PHE N N 71 127.490 127.490 124.670 2.820 25451 1405 1 3 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.565 -0.342 25451 1406 1 3 . 1 1 71 71 PHE C C 71 174.798 174.798 174.710 0.088 25451 1407 1 3 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.180 -0.059 25451 1408 1 3 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.087 -1.000 25451 1409 1 3 . 1 1 71 71 PHE H H 71 9.219 9.219 9.235 -0.016 25451 1410 1 3 . 1 1 72 72 ILE N N 72 118.614 118.614 122.709 -4.095 25451 1411 1 3 . 1 1 72 72 ILE HA H 72 5.107 5.107 4.939 0.168 25451 1412 1 3 . 1 1 72 72 ILE C C 72 177.518 177.518 176.102 1.416 25451 1413 1 3 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.409 0.114 25451 1414 1 3 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.395 0.592 25451 1415 1 3 . 1 1 72 72 ILE H H 72 8.715 8.715 9.159 -0.444 25451 1416 1 3 . 1 1 73 73 ASN N N 73 129.431 129.431 126.780 2.651 25451 1417 1 3 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.387 0.280 25451 1418 1 3 . 1 1 73 73 ASN C C 73 175.273 175.273 175.837 -0.564 25451 1419 1 3 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.445 0.116 25451 1420 1 3 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.695 0.623 25451 1421 1 3 . 1 1 73 73 ASN H H 73 10.691 10.691 9.431 1.260 25451 1422 1 3 . 1 1 74 74 GLY N N 74 104.235 104.235 103.538 0.697 25451 1423 1 3 . 1 1 74 74 GLY C C 74 172.754 172.754 174.115 -1.361 25451 1424 1 3 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.532 -0.510 25451 1425 1 3 . 1 1 74 74 GLY H H 74 9.529 9.529 8.912 0.617 25451 1426 1 3 . 1 1 75 75 ASN N N 75 119.009 119.009 119.520 -0.511 25451 1427 1 3 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.075 0.023 25451 1428 1 3 . 1 1 75 75 ASN C C 75 174.269 174.269 174.036 0.233 25451 1429 1 3 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.765 -1.139 25451 1430 1 3 . 1 1 75 75 ASN CB C 75 39.978 39.978 40.781 -0.803 25451 1431 1 3 . 1 1 75 75 ASN H H 75 8.116 8.116 8.154 -0.038 25451 1432 1 3 . 1 1 76 76 PHE N N 76 124.901 124.901 123.166 1.735 25451 1433 1 3 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.694 -1.040 25451 1434 1 3 . 1 1 76 76 PHE C C 76 175.273 175.273 174.685 0.588 25451 1435 1 3 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.777 1.086 25451 1436 1 3 . 1 1 76 76 PHE CB C 76 38.877 38.877 40.020 -1.143 25451 1437 1 3 . 1 1 76 76 PHE H H 76 9.004 9.004 8.567 0.437 25451 1438 1 3 . 1 1 77 77 ILE N N 77 126.459 126.459 126.061 0.398 25451 1439 1 3 . 1 1 77 77 ILE C C 77 174.506 174.506 172.902 1.604 25451 1440 1 3 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.747 -1.242 25451 1441 1 3 . 1 1 77 77 ILE CB C 77 37.410 37.410 42.147 -4.737 25451 1442 1 3 . 1 1 77 77 ILE H H 77 8.161 8.161 8.168 -0.007 25451 1443 1 3 . 1 1 78 78 GLY C C 78 172.005 172.005 173.109 -1.104 25451 1444 1 3 . 1 1 78 78 GLY CA C 78 43.555 43.555 44.443 -0.888 25451 1445 1 3 . 1 1 79 79 GLY N N 79 109.745 109.745 111.337 -1.592 25451 1446 1 3 . 1 1 79 79 GLY C C 79 174.981 174.981 174.075 0.906 25451 1447 1 3 . 1 1 79 79 GLY CA C 79 43.463 43.463 45.541 -2.078 25451 1448 1 3 . 1 1 79 79 GLY H H 79 9.114 9.114 7.971 1.143 25451 1449 1 3 . 1 1 80 80 CYS N N 80 120.764 120.764 120.527 0.237 25451 1450 1 3 . 1 1 80 80 CYS C C 80 176.533 176.533 176.774 -0.241 25451 1451 1 3 . 1 1 80 80 CYS CA C 80 63.825 63.825 62.325 1.500 25451 1452 1 3 . 1 1 80 80 CYS CB C 80 26.770 26.770 28.102 -1.332 25451 1453 1 3 . 1 1 80 80 CYS H H 80 8.571 8.571 8.727 -0.156 25451 1454 1 3 . 1 1 81 81 SER HA H 81 3.903 3.903 4.203 -0.300 25451 1455 1 3 . 1 1 81 81 SER C C 81 177.318 177.318 175.712 1.606 25451 1456 1 3 . 1 1 81 81 SER CA C 81 61.440 61.440 61.532 -0.092 25451 1457 1 3 . 1 1 82 82 ASP N N 82 122.226 122.226 121.996 0.230 25451 1458 1 3 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.390 -0.039 25451 1459 1 3 . 1 1 82 82 ASP C C 82 177.993 177.993 178.106 -0.113 25451 1460 1 3 . 1 1 82 82 ASP CA C 82 57.129 57.129 57.003 0.126 25451 1461 1 3 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.505 1.032 25451 1462 1 3 . 1 1 82 82 ASP H H 82 7.060 7.060 8.230 -1.170 25451 1463 1 3 . 1 1 83 83 LEU N N 83 121.542 121.542 119.990 1.552 25451 1464 1 3 . 1 1 83 83 LEU HA H 83 3.787 3.787 4.026 -0.239 25451 1465 1 3 . 1 1 83 83 LEU C C 83 177.957 177.957 178.165 -0.208 25451 1466 1 3 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.933 -0.070 25451 1467 1 3 . 1 1 83 83 LEU CB C 83 42.087 42.087 41.996 0.091 25451 1468 1 3 . 1 1 83 83 LEU H H 83 7.793 7.793 7.604 0.189 25451 1469 1 3 . 1 1 84 84 GLU N N 84 117.702 117.702 119.031 -1.329 25451 1470 1 3 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.897 -0.077 25451 1471 1 3 . 1 1 84 84 GLU C C 84 179.161 179.161 178.724 0.437 25451 1472 1 3 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.394 0.304 25451 1473 1 3 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.388 0.134 25451 1474 1 3 . 1 1 84 84 GLU H H 84 8.432 8.432 7.537 0.895 25451 1475 1 3 . 1 1 85 85 ALA N N 85 122.903 122.903 122.293 0.610 25451 1476 1 3 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.082 0.095 25451 1477 1 3 . 1 1 85 85 ALA C C 85 179.892 179.892 179.671 0.221 25451 1478 1 3 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.200 0.095 25451 1479 1 3 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.223 -0.442 25451 1480 1 3 . 1 1 85 85 ALA H H 85 7.890 7.890 8.558 -0.668 25451 1481 1 3 . 1 1 86 86 LEU N N 86 118.087 118.087 118.506 -0.419 25451 1482 1 3 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.931 0.088 25451 1483 1 3 . 1 1 86 86 LEU C C 86 179.764 179.764 178.650 1.114 25451 1484 1 3 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.279 0.401 25451 1485 1 3 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.538 1.283 25451 1486 1 3 . 1 1 86 86 LEU H H 86 7.567 7.567 7.613 -0.046 25451 1487 1 3 . 1 1 87 87 ASP N N 87 119.239 119.239 120.246 -1.007 25451 1488 1 3 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.388 0.113 25451 1489 1 3 . 1 1 87 87 ASP C C 87 179.563 179.563 179.233 0.330 25451 1490 1 3 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.334 -0.480 25451 1491 1 3 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.905 1.091 25451 1492 1 3 . 1 1 87 87 ASP H H 87 7.985 7.985 7.652 0.333 25451 1493 1 3 . 1 1 88 88 LYS N N 88 121.741 121.741 119.556 2.185 25451 1494 1 3 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.190 -0.154 25451 1495 1 3 . 1 1 88 88 LYS C C 88 178.778 178.778 178.399 0.379 25451 1496 1 3 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.006 1.141 25451 1497 1 3 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.295 -0.114 25451 1498 1 3 . 1 1 88 88 LYS H H 88 8.461 8.461 8.239 0.222 25451 1499 1 3 . 1 1 89 89 GLU N N 89 115.496 115.496 117.699 -2.203 25451 1500 1 3 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.287 0.023 25451 1501 1 3 . 1 1 89 89 GLU C C 89 176.806 176.806 177.138 -0.332 25451 1502 1 3 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.346 -0.134 25451 1503 1 3 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.919 0.428 25451 1504 1 3 . 1 1 89 89 GLU H H 89 7.838 7.838 7.707 0.131 25451 1505 1 3 . 1 1 90 90 GLY N N 90 108.622 108.622 107.261 1.361 25451 1506 1 3 . 1 1 90 90 GLY C C 90 175.985 175.985 175.148 0.837 25451 1507 1 3 . 1 1 90 90 GLY CA C 90 46.215 46.215 46.066 0.149 25451 1508 1 3 . 1 1 90 90 GLY H H 90 7.992 7.992 7.844 0.148 25451 1509 1 3 . 1 1 91 91 LYS N N 91 117.355 117.355 119.464 -2.109 25451 1510 1 3 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.404 -0.078 25451 1511 1 3 . 1 1 91 91 LYS C C 91 177.518 177.518 177.457 0.061 25451 1512 1 3 . 1 1 91 91 LYS CA C 91 56.487 56.487 56.662 -0.175 25451 1513 1 3 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.771 2.346 25451 1514 1 3 . 1 1 91 91 LYS H H 91 8.047 8.047 7.731 0.316 25451 1515 1 3 . 1 1 92 92 LEU N N 92 121.641 121.641 121.031 0.610 25451 1516 1 3 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.065 -0.112 25451 1517 1 3 . 1 1 92 92 LEU C C 92 177.518 177.518 177.605 -0.087 25451 1518 1 3 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.695 -0.199 25451 1519 1 3 . 1 1 92 92 LEU CB C 92 41.170 41.170 41.847 -0.677 25451 1520 1 3 . 1 1 92 92 LEU H H 92 7.582 7.582 7.643 -0.061 25451 1521 1 3 . 1 1 93 93 ASP N N 93 118.032 118.032 119.028 -0.996 25451 1522 1 3 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.337 -0.119 25451 1523 1 3 . 1 1 93 93 ASP C C 93 179.344 179.344 178.497 0.847 25451 1524 1 3 . 1 1 93 93 ASP CA C 93 57.955 57.955 58.746 -0.791 25451 1525 1 3 . 1 1 93 93 ASP CB C 93 39.886 39.886 39.950 -0.064 25451 1526 1 3 . 1 1 93 93 ASP H H 93 8.194 8.194 8.701 -0.507 25451 1527 1 3 . 1 1 94 94 GLY N N 94 107.012 107.012 107.694 -0.682 25451 1528 1 3 . 1 1 94 94 GLY C C 94 176.368 176.368 176.554 -0.186 25451 1529 1 3 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.700 -0.302 25451 1530 1 3 . 1 1 94 94 GLY H H 94 8.271 8.271 7.766 0.505 25451 1531 1 3 . 1 1 95 95 LEU N N 95 120.472 120.472 122.637 -2.165 25451 1532 1 3 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.088 0.164 25451 1533 1 3 . 1 1 95 95 LEU C C 95 178.285 178.285 177.969 0.316 25451 1534 1 3 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.790 -0.303 25451 1535 1 3 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.007 0.722 25451 1536 1 3 . 1 1 95 95 LEU H H 95 7.475 7.475 7.492 -0.017 25451 1537 1 3 . 1 1 96 96 LEU N N 96 116.181 116.181 115.255 0.926 25451 1538 1 3 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.112 0.148 25451 1539 1 3 . 1 1 96 96 LEU C C 96 176.186 176.186 176.966 -0.780 25451 1540 1 3 . 1 1 96 96 LEU CA C 96 54.561 54.561 55.334 -0.773 25451 1541 1 3 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.671 0.600 25451 1542 1 3 . 1 1 96 96 LEU H H 96 7.394 7.394 7.670 -0.276 25451 1543 1 4 . 1 1 5 5 SER HA H 5 4.492 4.492 3.918 0.574 25451 1544 1 4 . 1 1 5 5 SER C C 5 176.496 176.496 176.300 0.196 25451 1545 1 4 . 1 1 5 5 SER CA C 5 59.422 59.422 60.580 -1.158 25451 1546 1 4 . 1 1 5 5 SER CB C 5 64.100 64.100 62.251 1.849 25451 1547 1 4 . 1 1 6 6 ILE N N 6 120.626 120.626 119.852 0.774 25451 1548 1 4 . 1 1 6 6 ILE HA H 6 3.811 3.811 4.023 -0.212 25451 1549 1 4 . 1 1 6 6 ILE C C 6 176.952 176.952 177.073 -0.121 25451 1550 1 4 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.499 0.601 25451 1551 1 4 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.724 -0.314 25451 1552 1 4 . 1 1 6 6 ILE H H 6 9.168 9.168 8.138 1.030 25451 1553 1 4 . 1 1 7 7 ALA N N 7 122.320 122.320 123.103 -0.783 25451 1554 1 4 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.862 0.032 25451 1555 1 4 . 1 1 7 7 ALA C C 7 179.837 179.837 179.341 0.496 25451 1556 1 4 . 1 1 7 7 ALA CA C 7 55.203 55.203 55.227 -0.024 25451 1557 1 4 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.874 0.274 25451 1558 1 4 . 1 1 7 7 ALA H H 7 7.882 7.882 7.871 0.011 25451 1559 1 4 . 1 1 8 8 SER N N 8 110.329 110.329 114.077 -3.748 25451 1560 1 4 . 1 1 8 8 SER HA H 8 4.227 4.227 4.159 0.068 25451 1561 1 4 . 1 1 8 8 SER C C 8 177.409 177.409 176.467 0.942 25451 1562 1 4 . 1 1 8 8 SER CA C 8 60.156 60.156 61.031 -0.875 25451 1563 1 4 . 1 1 8 8 SER CB C 8 62.908 62.908 62.925 -0.017 25451 1564 1 4 . 1 1 8 8 SER H H 8 7.647 7.647 7.914 -0.267 25451 1565 1 4 . 1 1 9 9 MET N N 9 122.133 122.133 118.678 3.455 25451 1566 1 4 . 1 1 9 9 MET HA H 9 4.127 4.127 4.175 -0.048 25451 1567 1 4 . 1 1 9 9 MET C C 9 180.841 180.841 177.615 3.226 25451 1568 1 4 . 1 1 9 9 MET CA C 9 59.147 59.147 58.563 0.584 25451 1569 1 4 . 1 1 9 9 MET CB C 9 35.025 35.025 32.791 2.233 25451 1570 1 4 . 1 1 9 9 MET H H 9 7.787 7.787 7.648 0.139 25451 1571 1 4 . 1 1 10 10 ILE N N 10 115.009 115.009 117.725 -2.716 25451 1572 1 4 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.830 -0.068 25451 1573 1 4 . 1 1 10 10 ILE C C 10 174.981 174.981 177.565 -2.584 25451 1574 1 4 . 1 1 10 10 ILE CA C 10 65.293 65.293 63.498 1.795 25451 1575 1 4 . 1 1 10 10 ILE CB C 10 37.776 37.776 37.167 0.609 25451 1576 1 4 . 1 1 10 10 ILE H H 10 8.315 8.315 7.323 0.992 25451 1577 1 4 . 1 1 11 11 LYS N N 11 117.153 117.153 118.218 -1.065 25451 1578 1 4 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.325 0.184 25451 1579 1 4 . 1 1 11 11 LYS C C 11 177.774 177.774 177.389 0.385 25451 1580 1 4 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.120 -1.641 25451 1581 1 4 . 1 1 11 11 LYS CB C 11 32.273 32.273 31.749 0.524 25451 1582 1 4 . 1 1 11 11 LYS H H 11 6.877 6.877 7.570 -0.693 25451 1583 1 4 . 1 1 12 12 GLY N N 12 106.134 106.134 107.017 -0.883 25451 1584 1 4 . 1 1 12 12 GLY C C 12 172.553 172.553 174.778 -2.225 25451 1585 1 4 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.208 1.098 25451 1586 1 4 . 1 1 12 12 GLY H H 12 7.757 7.757 7.884 -0.127 25451 1587 1 4 . 1 1 13 13 ASN N N 13 115.402 115.402 117.142 -1.740 25451 1588 1 4 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.917 -0.325 25451 1589 1 4 . 1 1 13 13 ASN C C 13 174.068 174.068 174.478 -0.410 25451 1590 1 4 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.154 -1.995 25451 1591 1 4 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.466 -0.571 25451 1592 1 4 . 1 1 13 13 ASN H H 13 7.214 7.214 7.517 -0.303 25451 1593 1 4 . 1 1 14 14 LYS N N 14 122.033 122.033 121.706 0.327 25451 1594 1 4 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.310 -0.241 25451 1595 1 4 . 1 1 14 14 LYS C C 14 176.533 176.533 176.001 0.532 25451 1596 1 4 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.724 1.249 25451 1597 1 4 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.408 -1.868 25451 1598 1 4 . 1 1 14 14 LYS H H 14 8.351 8.351 8.581 -0.230 25451 1599 1 4 . 1 1 15 15 VAL N N 15 117.450 117.450 117.403 0.047 25451 1600 1 4 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.079 -0.055 25451 1601 1 4 . 1 1 15 15 VAL C C 15 174.543 174.543 174.388 0.155 25451 1602 1 4 . 1 1 15 15 VAL CA C 15 60.340 60.340 59.953 0.387 25451 1603 1 4 . 1 1 15 15 VAL CB C 15 32.732 32.732 34.242 -1.510 25451 1604 1 4 . 1 1 15 15 VAL H H 15 8.021 8.021 7.745 0.276 25451 1605 1 4 . 1 1 16 16 VAL N N 16 128.604 128.604 127.257 1.347 25451 1606 1 4 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.140 -0.249 25451 1607 1 4 . 1 1 16 16 VAL C C 16 173.922 173.922 174.577 -0.655 25451 1608 1 4 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.176 1.173 25451 1609 1 4 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.255 -0.047 25451 1610 1 4 . 1 1 16 16 VAL H H 16 8.909 8.909 8.960 -0.051 25451 1611 1 4 . 1 1 17 17 VAL N N 17 126.814 126.814 125.506 1.308 25451 1612 1 4 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.042 -0.027 25451 1613 1 4 . 1 1 17 17 VAL C C 17 173.593 173.593 174.264 -0.671 25451 1614 1 4 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.869 -0.988 25451 1615 1 4 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.849 -0.366 25451 1616 1 4 . 1 1 17 17 VAL H H 17 8.359 8.359 8.509 -0.150 25451 1617 1 4 . 1 1 18 18 PHE N N 18 125.697 125.697 124.873 0.824 25451 1618 1 4 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.502 -0.088 25451 1619 1 4 . 1 1 18 18 PHE C C 18 175.364 175.364 175.307 0.057 25451 1620 1 4 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.421 0.708 25451 1621 1 4 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.635 -2.299 25451 1622 1 4 . 1 1 18 18 PHE H H 18 9.015 9.015 9.381 -0.366 25451 1623 1 4 . 1 1 19 19 SER N N 19 120.570 120.570 116.306 4.264 25451 1624 1 4 . 1 1 19 19 SER HA H 19 5.215 5.215 4.837 0.378 25451 1625 1 4 . 1 1 19 19 SER C C 19 173.539 173.539 172.287 1.252 25451 1626 1 4 . 1 1 19 19 SER CA C 19 57.863 57.863 57.290 0.573 25451 1627 1 4 . 1 1 19 19 SER CB C 19 69.512 69.512 66.303 3.209 25451 1628 1 4 . 1 1 19 19 SER H H 19 9.137 9.137 8.770 0.367 25451 1629 1 4 . 1 1 20 20 TRP N N 20 122.520 122.520 121.796 0.724 25451 1630 1 4 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.217 0.728 25451 1631 1 4 . 1 1 20 20 TRP C C 20 178.030 178.030 175.821 2.209 25451 1632 1 4 . 1 1 20 20 TRP CA C 20 54.011 54.011 55.575 -1.565 25451 1633 1 4 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.421 1.769 25451 1634 1 4 . 1 1 20 20 TRP H H 20 8.520 8.520 8.790 -0.270 25451 1635 1 4 . 1 1 21 21 VAL N N 21 124.864 124.864 120.027 4.837 25451 1636 1 4 . 1 1 21 21 VAL C C 21 177.208 177.208 176.269 0.939 25451 1637 1 4 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.495 2.889 25451 1638 1 4 . 1 1 21 21 VAL CB C 21 32.273 32.273 31.664 0.609 25451 1639 1 4 . 1 1 21 21 VAL H H 21 9.956 9.956 8.180 1.776 25451 1640 1 4 . 1 1 22 22 THR HA H 22 4.542 4.542 4.565 -0.023 25451 1641 1 4 . 1 1 22 22 THR C C 22 174.269 174.269 173.480 0.789 25451 1642 1 4 . 1 1 22 22 THR CA C 22 60.982 60.982 60.690 0.292 25451 1643 1 4 . 1 1 22 22 THR CB C 22 69.237 69.237 70.136 -0.899 25451 1644 1 4 . 1 1 23 23 CYS N N 23 127.689 127.689 125.440 2.249 25451 1645 1 4 . 1 1 23 23 CYS C C 23 175.054 175.054 174.034 1.020 25451 1646 1 4 . 1 1 23 23 CYS CA C 23 56.396 56.396 56.110 0.286 25451 1647 1 4 . 1 1 23 23 CYS CB C 23 32.273 32.273 29.856 2.417 25451 1648 1 4 . 1 1 23 23 CYS H H 23 7.013 7.013 8.336 -1.323 25451 1649 1 4 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.198 0.103 25451 1650 1 4 . 1 1 24 24 PRO C C 24 180.202 180.202 176.551 3.651 25451 1651 1 4 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.623 -0.156 25451 1652 1 4 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.465 0.717 25451 1653 1 4 . 1 1 25 25 TYR N N 25 126.810 126.810 114.707 12.103 25451 1654 1 4 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.374 -0.064 25451 1655 1 4 . 1 1 25 25 TYR C C 25 178.632 178.632 177.622 1.010 25451 1656 1 4 . 1 1 25 25 TYR CA C 25 61.715 61.715 59.828 1.887 25451 1657 1 4 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.893 -0.117 25451 1658 1 4 . 1 1 25 25 TYR H H 25 9.569 9.569 7.457 2.112 25451 1659 1 4 . 1 1 26 26 CYS N N 26 127.984 127.984 119.622 8.362 25451 1660 1 4 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.219 -0.200 25451 1661 1 4 . 1 1 26 26 CYS C C 26 176.642 176.642 176.653 -0.011 25451 1662 1 4 . 1 1 26 26 CYS CA C 26 64.559 64.559 61.939 2.620 25451 1663 1 4 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.595 1.643 25451 1664 1 4 . 1 1 26 26 CYS H H 26 9.239 9.239 7.874 1.365 25451 1665 1 4 . 1 1 27 27 VAL N N 27 121.054 121.054 120.554 0.500 25451 1666 1 4 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.694 -0.107 25451 1667 1 4 . 1 1 27 27 VAL C C 27 178.614 178.614 177.369 1.245 25451 1668 1 4 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.371 0.390 25451 1669 1 4 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.594 0.496 25451 1670 1 4 . 1 1 27 27 VAL H H 27 8.402 8.402 7.688 0.714 25451 1671 1 4 . 1 1 28 28 ARG N N 28 119.686 119.686 118.845 0.841 25451 1672 1 4 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.980 -0.019 25451 1673 1 4 . 1 1 28 28 ARG C C 28 178.742 178.742 178.510 0.232 25451 1674 1 4 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.721 -0.115 25451 1675 1 4 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.912 0.710 25451 1676 1 4 . 1 1 28 28 ARG H H 28 7.655 7.655 8.247 -0.592 25451 1677 1 4 . 1 1 29 29 ALA N N 29 122.324 122.324 122.706 -0.382 25451 1678 1 4 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.139 -0.128 25451 1679 1 4 . 1 1 29 29 ALA C C 29 178.906 178.906 179.641 -0.735 25451 1680 1 4 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.011 0.101 25451 1681 1 4 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.444 0.163 25451 1682 1 4 . 1 1 29 29 ALA H H 29 8.175 8.175 8.191 -0.016 25451 1683 1 4 . 1 1 30 30 GLU N N 30 117.151 117.151 118.509 -1.358 25451 1684 1 4 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.965 -0.428 25451 1685 1 4 . 1 1 30 30 GLU C C 30 178.030 178.030 179.083 -1.053 25451 1686 1 4 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.849 0.766 25451 1687 1 4 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.548 -0.026 25451 1688 1 4 . 1 1 30 30 GLU H H 30 8.689 8.689 8.577 0.112 25451 1689 1 4 . 1 1 31 31 LYS N N 31 119.597 119.597 119.941 -0.344 25451 1690 1 4 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.086 -0.050 25451 1691 1 4 . 1 1 31 31 LYS C C 31 179.746 179.746 179.241 0.505 25451 1692 1 4 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.432 0.357 25451 1693 1 4 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.542 0.006 25451 1694 1 4 . 1 1 31 31 LYS H H 31 8.359 8.359 7.904 0.456 25451 1695 1 4 . 1 1 32 32 LEU N N 32 121.147 121.147 121.206 -0.059 25451 1696 1 4 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.131 -0.079 25451 1697 1 4 . 1 1 32 32 LEU C C 32 179.198 179.198 178.714 0.484 25451 1698 1 4 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.432 1.073 25451 1699 1 4 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.746 0.433 25451 1700 1 4 . 1 1 32 32 LEU H H 32 7.610 7.610 7.658 -0.048 25451 1701 1 4 . 1 1 33 33 LEU N N 33 118.120 118.120 119.054 -0.934 25451 1702 1 4 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.796 -0.034 25451 1703 1 4 . 1 1 33 33 LEU C C 33 179.234 179.234 178.968 0.266 25451 1704 1 4 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.561 -0.147 25451 1705 1 4 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.301 1.153 25451 1706 1 4 . 1 1 33 33 LEU H H 33 7.904 7.904 8.594 -0.690 25451 1707 1 4 . 1 1 34 34 HIS N N 34 117.939 117.939 117.726 0.213 25451 1708 1 4 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.303 0.330 25451 1709 1 4 . 1 1 34 34 HIS C C 34 176.879 176.879 178.001 -1.122 25451 1710 1 4 . 1 1 34 34 HIS CA C 34 59.422 59.422 60.087 -0.665 25451 1711 1 4 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.919 0.153 25451 1712 1 4 . 1 1 34 34 HIS H H 34 8.876 8.876 8.255 0.621 25451 1713 1 4 . 1 1 35 35 ALA N N 35 118.133 118.133 121.138 -3.005 25451 1714 1 4 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.242 0.043 25451 1715 1 4 . 1 1 35 35 ALA C C 35 178.395 178.395 178.652 -0.257 25451 1716 1 4 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.188 -1.003 25451 1717 1 4 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.734 -0.219 25451 1718 1 4 . 1 1 35 35 ALA H H 35 7.229 7.229 7.990 -0.761 25451 1719 1 4 . 1 1 36 36 ARG N N 36 115.692 115.692 115.155 0.537 25451 1720 1 4 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.698 -0.256 25451 1721 1 4 . 1 1 36 36 ARG C C 36 175.693 175.693 175.400 0.293 25451 1722 1 4 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.029 0.716 25451 1723 1 4 . 1 1 36 36 ARG CB C 36 32.548 32.548 29.922 2.626 25451 1724 1 4 . 1 1 36 36 ARG H H 36 7.647 7.647 7.810 -0.163 25451 1725 1 4 . 1 1 37 37 THR N N 37 114.964 114.964 110.435 4.529 25451 1726 1 4 . 1 1 37 37 THR HA H 37 4.651 4.651 3.803 0.848 25451 1727 1 4 . 1 1 37 37 THR C C 37 170.636 170.636 173.868 -3.232 25451 1728 1 4 . 1 1 37 37 THR CA C 37 60.523 60.523 63.954 -3.431 25451 1729 1 4 . 1 1 37 37 THR CB C 37 68.870 68.870 66.989 1.881 25451 1730 1 4 . 1 1 37 37 THR H H 37 8.087 8.087 7.866 0.221 25451 1731 1 4 . 1 1 38 38 LYS N N 38 121.835 121.835 121.802 0.033 25451 1732 1 4 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.156 0.511 25451 1733 1 4 . 1 1 38 38 LYS C C 38 178.139 178.139 175.393 2.746 25451 1734 1 4 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.454 -0.159 25451 1735 1 4 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.197 0.534 25451 1736 1 4 . 1 1 38 38 LYS H H 38 8.299 8.299 7.919 0.380 25451 1737 1 4 . 1 1 39 39 ASP N N 39 128.517 128.517 126.579 1.938 25451 1738 1 4 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.524 0.359 25451 1739 1 4 . 1 1 39 39 ASP C C 39 172.754 172.754 174.838 -2.084 25451 1740 1 4 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.031 0.073 25451 1741 1 4 . 1 1 39 39 ASP CB C 39 40.987 40.987 41.106 -0.119 25451 1742 1 4 . 1 1 39 39 ASP H H 39 8.823 8.823 8.269 0.554 25451 1743 1 4 . 1 1 40 40 ILE N N 40 116.959 116.959 124.773 -7.814 25451 1744 1 4 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.942 0.331 25451 1745 1 4 . 1 1 40 40 ILE C C 40 174.470 174.470 174.984 -0.514 25451 1746 1 4 . 1 1 40 40 ILE CA C 40 57.038 57.038 58.835 -1.797 25451 1747 1 4 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.296 0.424 25451 1748 1 4 . 1 1 40 40 ILE H H 40 7.273 7.273 7.678 -0.405 25451 1749 1 4 . 1 1 41 41 THR N N 41 125.545 125.545 123.577 1.968 25451 1750 1 4 . 1 1 41 41 THR HA H 41 4.260 4.260 4.671 -0.411 25451 1751 1 4 . 1 1 41 41 THR C C 41 171.476 171.476 172.316 -0.840 25451 1752 1 4 . 1 1 41 41 THR CA C 41 61.807 61.807 61.209 0.598 25451 1753 1 4 . 1 1 41 41 THR CB C 41 72.172 72.172 71.265 0.907 25451 1754 1 4 . 1 1 41 41 THR H H 41 8.564 8.564 8.422 0.142 25451 1755 1 4 . 1 1 42 42 VAL N N 42 126.913 126.913 126.658 0.255 25451 1756 1 4 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.766 -0.523 25451 1757 1 4 . 1 1 42 42 VAL C C 42 174.086 174.086 174.123 -0.037 25451 1758 1 4 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.365 0.883 25451 1759 1 4 . 1 1 42 42 VAL CB C 42 32.824 32.824 33.776 -0.952 25451 1760 1 4 . 1 1 42 42 VAL H H 42 8.271 8.271 8.492 -0.221 25451 1761 1 4 . 1 1 43 43 HIS N N 43 127.392 127.392 129.005 -1.613 25451 1762 1 4 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.753 -0.186 25451 1763 1 4 . 1 1 43 43 HIS C C 43 174.543 174.543 173.799 0.744 25451 1764 1 4 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.518 -0.415 25451 1765 1 4 . 1 1 43 43 HIS CB C 43 31.815 31.815 30.913 0.902 25451 1766 1 4 . 1 1 43 43 HIS H H 43 8.829 8.829 8.790 0.039 25451 1767 1 4 . 1 1 44 44 TYR N N 44 126.221 126.221 127.682 -1.461 25451 1768 1 4 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.894 0.312 25451 1769 1 4 . 1 1 44 44 TYR C C 44 177.865 177.865 177.328 0.537 25451 1770 1 4 . 1 1 44 44 TYR CA C 44 57.313 57.313 57.920 -0.607 25451 1771 1 4 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.043 -1.193 25451 1772 1 4 . 1 1 44 44 TYR H H 44 8.938 8.938 8.877 0.061 25451 1773 1 4 . 1 1 45 45 VAL N N 45 120.086 120.086 121.837 -1.751 25451 1774 1 4 . 1 1 45 45 VAL HA H 45 4.351 4.351 4.187 0.164 25451 1775 1 4 . 1 1 45 45 VAL C C 45 176.952 176.952 177.510 -0.558 25451 1776 1 4 . 1 1 45 45 VAL CA C 45 63.917 63.917 64.785 -0.868 25451 1777 1 4 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.902 -0.638 25451 1778 1 4 . 1 1 45 45 VAL H H 45 9.037 9.037 8.364 0.673 25451 1779 1 4 . 1 1 46 46 ASP N N 46 118.427 118.427 120.793 -2.366 25451 1780 1 4 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.466 -0.057 25451 1781 1 4 . 1 1 46 46 ASP C C 46 176.989 176.989 177.508 -0.519 25451 1782 1 4 . 1 1 46 46 ASP CA C 46 54.745 54.745 56.358 -1.613 25451 1783 1 4 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.690 -3.831 25451 1784 1 4 . 1 1 46 46 ASP H H 46 10.711 10.711 8.385 2.326 25451 1785 1 4 . 1 1 47 47 LYS N N 47 119.396 119.396 117.813 1.583 25451 1786 1 4 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.270 0.272 25451 1787 1 4 . 1 1 47 47 LYS C C 47 176.350 176.350 176.676 -0.326 25451 1788 1 4 . 1 1 47 47 LYS CA C 47 55.020 55.020 57.156 -2.136 25451 1789 1 4 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.212 -0.572 25451 1790 1 4 . 1 1 47 47 LYS H H 47 7.801 7.801 7.968 -0.167 25451 1791 1 4 . 1 1 48 48 MET N N 48 118.957 118.957 115.253 3.704 25451 1792 1 4 . 1 1 48 48 MET C C 48 177.500 177.500 176.170 1.330 25451 1793 1 4 . 1 1 48 48 MET CA C 48 54.928 54.928 54.710 0.218 25451 1794 1 4 . 1 1 48 48 MET CB C 48 36.492 36.492 34.966 1.526 25451 1795 1 4 . 1 1 48 48 MET H H 48 7.331 7.331 7.651 -0.320 25451 1796 1 4 . 1 1 49 49 SER HA H 49 4.260 4.260 4.245 0.015 25451 1797 1 4 . 1 1 49 49 SER C C 49 176.898 176.898 176.435 0.463 25451 1798 1 4 . 1 1 49 49 SER CA C 49 61.899 61.899 61.488 0.411 25451 1799 1 4 . 1 1 50 50 GLU N N 50 121.350 121.350 123.008 -1.658 25451 1800 1 4 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.119 0.631 25451 1801 1 4 . 1 1 50 50 GLU C C 50 176.971 176.971 178.310 -1.339 25451 1802 1 4 . 1 1 50 50 GLU CA C 50 56.487 56.487 58.039 -1.552 25451 1803 1 4 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.280 -1.042 25451 1804 1 4 . 1 1 50 50 GLU H H 50 10.024 10.024 8.799 1.225 25451 1805 1 4 . 1 1 51 51 GLY N N 51 109.546 109.546 107.431 2.115 25451 1806 1 4 . 1 1 51 51 GLY C C 51 175.602 175.602 176.046 -0.444 25451 1807 1 4 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.177 1.698 25451 1808 1 4 . 1 1 51 51 GLY H H 51 8.124 8.124 7.907 0.217 25451 1809 1 4 . 1 1 52 52 GLU N N 52 120.614 120.614 121.417 -0.803 25451 1810 1 4 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.166 0.036 25451 1811 1 4 . 1 1 52 52 GLU C C 52 180.056 180.056 178.605 1.451 25451 1812 1 4 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.287 0.135 25451 1813 1 4 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.518 -0.547 25451 1814 1 4 . 1 1 52 52 GLU H H 52 8.821 8.821 7.927 0.894 25451 1815 1 4 . 1 1 53 53 GLN N N 53 123.591 123.591 119.464 4.127 25451 1816 1 4 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.142 0.002 25451 1817 1 4 . 1 1 53 53 GLN C C 53 179.600 179.600 178.431 1.169 25451 1818 1 4 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.614 0.442 25451 1819 1 4 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.721 -1.034 25451 1820 1 4 . 1 1 53 53 GLN H H 53 8.117 8.117 7.646 0.471 25451 1821 1 4 . 1 1 54 54 LEU N N 54 120.960 120.960 120.348 0.612 25451 1822 1 4 . 1 1 54 54 LEU HA H 54 4.011 4.011 3.945 0.066 25451 1823 1 4 . 1 1 54 54 LEU C C 54 179.417 179.417 178.936 0.481 25451 1824 1 4 . 1 1 54 54 LEU CA C 54 57.863 57.863 57.323 0.540 25451 1825 1 4 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.857 -0.421 25451 1826 1 4 . 1 1 54 54 LEU H H 54 8.249 8.249 8.275 -0.026 25451 1827 1 4 . 1 1 55 55 ARG N N 55 118.038 118.038 119.700 -1.662 25451 1828 1 4 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.927 -0.132 25451 1829 1 4 . 1 1 55 55 ARG C C 55 180.439 180.439 178.572 1.867 25451 1830 1 4 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.671 0.944 25451 1831 1 4 . 1 1 55 55 ARG CB C 55 29.522 29.522 30.030 -0.508 25451 1832 1 4 . 1 1 55 55 ARG H H 55 8.402 8.402 8.484 -0.082 25451 1833 1 4 . 1 1 56 56 GLY N N 56 110.675 110.675 107.968 2.707 25451 1834 1 4 . 1 1 56 56 GLY C C 56 176.350 176.350 176.212 0.138 25451 1835 1 4 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.179 0.044 25451 1836 1 4 . 1 1 56 56 GLY H H 56 8.376 8.376 8.236 0.140 25451 1837 1 4 . 1 1 57 57 GLU N N 57 124.469 124.469 122.460 2.009 25451 1838 1 4 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.041 0.036 25451 1839 1 4 . 1 1 57 57 GLU C C 57 180.184 180.184 179.262 0.922 25451 1840 1 4 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.924 0.682 25451 1841 1 4 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.075 0.905 25451 1842 1 4 . 1 1 57 57 GLU H H 57 8.146 8.146 7.787 0.359 25451 1843 1 4 . 1 1 58 58 ILE N N 58 121.352 121.352 120.086 1.266 25451 1844 1 4 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.783 -0.096 25451 1845 1 4 . 1 1 58 58 ILE C C 58 178.030 178.030 177.731 0.299 25451 1846 1 4 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.228 0.340 25451 1847 1 4 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.952 0.375 25451 1848 1 4 . 1 1 58 58 ILE H H 58 8.201 8.201 7.375 0.826 25451 1849 1 4 . 1 1 59 59 TYR N N 59 121.934 121.934 121.084 0.850 25451 1850 1 4 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.236 -0.101 25451 1851 1 4 . 1 1 59 59 TYR C C 59 178.322 178.322 178.351 -0.029 25451 1852 1 4 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.804 0.187 25451 1853 1 4 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.703 -0.743 25451 1854 1 4 . 1 1 59 59 TYR H H 59 8.256 8.256 8.326 -0.070 25451 1855 1 4 . 1 1 60 60 GLN N N 60 119.694 119.694 118.606 1.088 25451 1856 1 4 . 1 1 60 60 GLN HA H 60 3.679 3.679 3.853 -0.174 25451 1857 1 4 . 1 1 60 60 GLN C C 60 177.336 177.336 177.979 -0.643 25451 1858 1 4 . 1 1 60 60 GLN CA C 60 58.780 58.780 59.323 -0.543 25451 1859 1 4 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.591 -0.078 25451 1860 1 4 . 1 1 60 60 GLN H H 60 8.512 8.512 8.465 0.047 25451 1861 1 4 . 1 1 61 61 ALA N N 61 117.444 117.444 120.727 -3.283 25451 1862 1 4 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.945 0.024 25451 1863 1 4 . 1 1 61 61 ALA C C 61 179.180 179.180 178.851 0.329 25451 1864 1 4 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.788 -0.051 25451 1865 1 4 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.343 0.814 25451 1866 1 4 . 1 1 61 61 ALA H H 61 7.749 7.749 7.282 0.467 25451 1867 1 4 . 1 1 62 62 TYR N N 62 113.265 113.265 113.567 -0.302 25451 1868 1 4 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.491 0.034 25451 1869 1 4 . 1 1 62 62 TYR C C 62 175.036 175.036 175.162 -0.126 25451 1870 1 4 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.442 0.871 25451 1871 1 4 . 1 1 62 62 TYR CB C 62 38.969 38.969 39.046 -0.077 25451 1872 1 4 . 1 1 62 62 TYR H H 62 7.801 7.801 7.759 0.042 25451 1873 1 4 . 1 1 63 63 LYS N N 63 117.584 117.584 115.756 1.828 25451 1874 1 4 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.863 0.641 25451 1875 1 4 . 1 1 63 63 LYS C C 63 173.812 173.812 174.420 -0.608 25451 1876 1 4 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.763 -0.092 25451 1877 1 4 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.301 -0.788 25451 1878 1 4 . 1 1 63 63 LYS H H 63 8.098 8.098 7.549 0.549 25451 1879 1 4 . 1 1 64 64 HIS N N 64 118.618 118.618 115.299 3.319 25451 1880 1 4 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.584 0.373 25451 1881 1 4 . 1 1 64 64 HIS C C 64 175.985 175.985 174.832 1.153 25451 1882 1 4 . 1 1 64 64 HIS CA C 64 55.754 55.754 55.312 0.442 25451 1883 1 4 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.055 1.878 25451 1884 1 4 . 1 1 64 64 HIS H H 64 6.524 6.524 7.405 -0.881 25451 1885 1 4 . 1 1 65 65 GLU N N 65 126.723 126.723 120.511 6.212 25451 1886 1 4 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.535 -0.142 25451 1887 1 4 . 1 1 65 65 GLU C C 65 175.346 175.346 176.493 -1.147 25451 1888 1 4 . 1 1 65 65 GLU CA C 65 56.946 56.946 57.080 -0.134 25451 1889 1 4 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.270 1.003 25451 1890 1 4 . 1 1 65 65 GLU H H 65 9.188 9.188 8.744 0.444 25451 1891 1 4 . 1 1 66 66 THR N N 66 108.043 108.043 110.349 -2.306 25451 1892 1 4 . 1 1 66 66 THR HA H 66 4.393 4.393 4.598 -0.205 25451 1893 1 4 . 1 1 66 66 THR C C 66 174.579 174.579 173.764 0.815 25451 1894 1 4 . 1 1 66 66 THR CA C 66 59.698 59.698 60.768 -1.070 25451 1895 1 4 . 1 1 66 66 THR CB C 66 71.071 71.071 71.922 -0.851 25451 1896 1 4 . 1 1 66 66 THR H H 66 6.296 6.296 7.552 -1.256 25451 1897 1 4 . 1 1 67 67 VAL N N 67 112.473 112.473 115.617 -3.144 25451 1898 1 4 . 1 1 67 67 VAL C C 67 173.027 173.027 174.313 -1.286 25451 1899 1 4 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.340 -4.293 25451 1900 1 4 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.032 1.150 25451 1901 1 4 . 1 1 67 67 VAL H H 67 7.688 7.688 8.450 -0.762 25451 1902 1 4 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.447 0.983 25451 1903 1 4 . 1 1 68 68 PRO C C 68 176.405 176.405 175.471 0.934 25451 1904 1 4 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.414 -0.608 25451 1905 1 4 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.391 2.450 25451 1906 1 4 . 1 1 69 69 ALA N N 69 124.309 124.309 121.316 2.993 25451 1907 1 4 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.662 0.146 25451 1908 1 4 . 1 1 69 69 ALA C C 69 175.273 175.273 176.423 -1.150 25451 1909 1 4 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.364 -0.013 25451 1910 1 4 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.319 1.406 25451 1911 1 4 . 1 1 69 69 ALA H H 69 8.952 8.952 7.996 0.956 25451 1912 1 4 . 1 1 70 70 ILE N N 70 124.569 124.569 123.011 1.558 25451 1913 1 4 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.628 -0.078 25451 1914 1 4 . 1 1 70 70 ILE C C 70 172.553 172.553 174.170 -1.617 25451 1915 1 4 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.456 1.626 25451 1916 1 4 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.068 -0.999 25451 1917 1 4 . 1 1 70 70 ILE H H 70 8.447 8.447 8.217 0.230 25451 1918 1 4 . 1 1 71 71 PHE N N 71 127.490 127.490 124.119 3.371 25451 1919 1 4 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.606 -0.383 25451 1920 1 4 . 1 1 71 71 PHE C C 71 174.798 174.798 174.848 -0.050 25451 1921 1 4 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.113 0.008 25451 1922 1 4 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.753 -1.666 25451 1923 1 4 . 1 1 71 71 PHE H H 71 9.219 9.219 9.267 -0.048 25451 1924 1 4 . 1 1 72 72 ILE N N 72 118.614 118.614 121.741 -3.127 25451 1925 1 4 . 1 1 72 72 ILE HA H 72 5.107 5.107 4.995 0.112 25451 1926 1 4 . 1 1 72 72 ILE C C 72 177.518 177.518 176.048 1.470 25451 1927 1 4 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.337 0.186 25451 1928 1 4 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.997 -0.010 25451 1929 1 4 . 1 1 72 72 ILE H H 72 8.715 8.715 9.120 -0.405 25451 1930 1 4 . 1 1 73 73 ASN N N 73 129.431 129.431 126.526 2.905 25451 1931 1 4 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.377 0.290 25451 1932 1 4 . 1 1 73 73 ASN C C 73 175.273 175.273 175.544 -0.271 25451 1933 1 4 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.601 -0.040 25451 1934 1 4 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.680 0.638 25451 1935 1 4 . 1 1 73 73 ASN H H 73 10.691 10.691 9.482 1.209 25451 1936 1 4 . 1 1 74 74 GLY N N 74 104.235 104.235 103.541 0.694 25451 1937 1 4 . 1 1 74 74 GLY C C 74 172.754 172.754 174.086 -1.332 25451 1938 1 4 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.375 -0.353 25451 1939 1 4 . 1 1 74 74 GLY H H 74 9.529 9.529 8.704 0.825 25451 1940 1 4 . 1 1 75 75 ASN N N 75 119.009 119.009 119.855 -0.846 25451 1941 1 4 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.124 -0.026 25451 1942 1 4 . 1 1 75 75 ASN C C 75 174.269 174.269 173.818 0.451 25451 1943 1 4 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.492 -0.866 25451 1944 1 4 . 1 1 75 75 ASN CB C 75 39.978 39.978 40.345 -0.367 25451 1945 1 4 . 1 1 75 75 ASN H H 75 8.116 8.116 8.274 -0.158 25451 1946 1 4 . 1 1 76 76 PHE N N 76 124.901 124.901 123.057 1.844 25451 1947 1 4 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.548 -0.894 25451 1948 1 4 . 1 1 76 76 PHE C C 76 175.273 175.273 174.562 0.711 25451 1949 1 4 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.844 1.018 25451 1950 1 4 . 1 1 76 76 PHE CB C 76 38.877 38.877 40.079 -1.202 25451 1951 1 4 . 1 1 76 76 PHE H H 76 9.004 9.004 8.570 0.434 25451 1952 1 4 . 1 1 77 77 ILE N N 77 126.459 126.459 125.934 0.525 25451 1953 1 4 . 1 1 77 77 ILE C C 77 174.506 174.506 172.840 1.666 25451 1954 1 4 . 1 1 77 77 ILE CA C 77 58.505 58.505 58.519 -0.014 25451 1955 1 4 . 1 1 77 77 ILE CB C 77 37.410 37.410 40.899 -3.489 25451 1956 1 4 . 1 1 77 77 ILE H H 77 8.161 8.161 8.258 -0.097 25451 1957 1 4 . 1 1 78 78 GLY C C 78 172.005 172.005 173.354 -1.349 25451 1958 1 4 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.652 -0.097 25451 1959 1 4 . 1 1 79 79 GLY N N 79 109.745 109.745 112.857 -3.112 25451 1960 1 4 . 1 1 79 79 GLY C C 79 174.981 174.981 174.265 0.716 25451 1961 1 4 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.564 -1.101 25451 1962 1 4 . 1 1 79 79 GLY H H 79 9.114 9.114 7.859 1.255 25451 1963 1 4 . 1 1 80 80 CYS N N 80 120.764 120.764 122.003 -1.239 25451 1964 1 4 . 1 1 80 80 CYS C C 80 176.533 176.533 176.030 0.503 25451 1965 1 4 . 1 1 80 80 CYS CA C 80 63.825 63.825 61.423 2.401 25451 1966 1 4 . 1 1 80 80 CYS CB C 80 26.770 26.770 26.627 0.143 25451 1967 1 4 . 1 1 80 80 CYS H H 80 8.571 8.571 9.034 -0.463 25451 1968 1 4 . 1 1 81 81 SER HA H 81 3.903 3.903 4.050 -0.147 25451 1969 1 4 . 1 1 81 81 SER C C 81 177.318 177.318 176.188 1.130 25451 1970 1 4 . 1 1 81 81 SER CA C 81 61.440 61.440 61.477 -0.037 25451 1971 1 4 . 1 1 82 82 ASP N N 82 122.226 122.226 122.215 0.011 25451 1972 1 4 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.434 -0.083 25451 1973 1 4 . 1 1 82 82 ASP C C 82 177.993 177.993 177.989 0.004 25451 1974 1 4 . 1 1 82 82 ASP CA C 82 57.129 57.129 56.600 0.529 25451 1975 1 4 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.632 0.905 25451 1976 1 4 . 1 1 82 82 ASP H H 82 7.060 7.060 7.811 -0.751 25451 1977 1 4 . 1 1 83 83 LEU N N 83 121.542 121.542 120.875 0.667 25451 1978 1 4 . 1 1 83 83 LEU HA H 83 3.787 3.787 3.953 -0.166 25451 1979 1 4 . 1 1 83 83 LEU C C 83 177.957 177.957 178.289 -0.332 25451 1980 1 4 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.993 -0.130 25451 1981 1 4 . 1 1 83 83 LEU CB C 83 42.087 42.087 41.950 0.137 25451 1982 1 4 . 1 1 83 83 LEU H H 83 7.793 7.793 7.917 -0.124 25451 1983 1 4 . 1 1 84 84 GLU N N 84 117.702 117.702 119.036 -1.334 25451 1984 1 4 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.832 -0.012 25451 1985 1 4 . 1 1 84 84 GLU C C 84 179.161 179.161 178.617 0.544 25451 1986 1 4 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.461 0.237 25451 1987 1 4 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.416 0.106 25451 1988 1 4 . 1 1 84 84 GLU H H 84 8.432 8.432 8.544 -0.112 25451 1989 1 4 . 1 1 85 85 ALA N N 85 122.903 122.903 121.949 0.954 25451 1990 1 4 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.082 0.095 25451 1991 1 4 . 1 1 85 85 ALA C C 85 179.892 179.892 179.527 0.365 25451 1992 1 4 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.170 0.125 25451 1993 1 4 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.184 -0.403 25451 1994 1 4 . 1 1 85 85 ALA H H 85 7.890 7.890 8.095 -0.205 25451 1995 1 4 . 1 1 86 86 LEU N N 86 118.087 118.087 118.228 -0.141 25451 1996 1 4 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.946 0.073 25451 1997 1 4 . 1 1 86 86 LEU C C 86 179.764 179.764 178.479 1.285 25451 1998 1 4 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.270 0.410 25451 1999 1 4 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.355 1.466 25451 2000 1 4 . 1 1 86 86 LEU H H 86 7.567 7.567 7.597 -0.030 25451 2001 1 4 . 1 1 87 87 ASP N N 87 119.239 119.239 119.029 0.210 25451 2002 1 4 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.374 0.127 25451 2003 1 4 . 1 1 87 87 ASP C C 87 179.563 179.563 179.131 0.432 25451 2004 1 4 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.262 -0.408 25451 2005 1 4 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.660 1.336 25451 2006 1 4 . 1 1 87 87 ASP H H 87 7.985 7.985 7.682 0.303 25451 2007 1 4 . 1 1 88 88 LYS N N 88 121.741 121.741 119.725 2.016 25451 2008 1 4 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.156 -0.120 25451 2009 1 4 . 1 1 88 88 LYS C C 88 178.778 178.778 178.540 0.238 25451 2010 1 4 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.391 0.756 25451 2011 1 4 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.460 -0.278 25451 2012 1 4 . 1 1 88 88 LYS H H 88 8.461 8.461 7.887 0.574 25451 2013 1 4 . 1 1 89 89 GLU N N 89 115.496 115.496 117.360 -1.864 25451 2014 1 4 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.280 0.030 25451 2015 1 4 . 1 1 89 89 GLU C C 89 176.806 176.806 177.141 -0.335 25451 2016 1 4 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.443 -0.231 25451 2017 1 4 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.903 0.444 25451 2018 1 4 . 1 1 89 89 GLU H H 89 7.838 7.838 7.757 0.081 25451 2019 1 4 . 1 1 90 90 GLY N N 90 108.622 108.622 107.371 1.251 25451 2020 1 4 . 1 1 90 90 GLY C C 90 175.985 175.985 175.326 0.659 25451 2021 1 4 . 1 1 90 90 GLY CA C 90 46.215 46.215 45.891 0.325 25451 2022 1 4 . 1 1 90 90 GLY H H 90 7.992 7.992 7.796 0.196 25451 2023 1 4 . 1 1 91 91 LYS N N 91 117.355 117.355 120.334 -2.979 25451 2024 1 4 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.384 -0.058 25451 2025 1 4 . 1 1 91 91 LYS C C 91 177.518 177.518 177.316 0.202 25451 2026 1 4 . 1 1 91 91 LYS CA C 91 56.487 56.487 57.150 -0.663 25451 2027 1 4 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.660 2.458 25451 2028 1 4 . 1 1 91 91 LYS H H 91 8.047 8.047 7.797 0.250 25451 2029 1 4 . 1 1 92 92 LEU N N 92 121.641 121.641 120.870 0.771 25451 2030 1 4 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.097 -0.144 25451 2031 1 4 . 1 1 92 92 LEU C C 92 177.518 177.518 177.905 -0.387 25451 2032 1 4 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.686 -0.190 25451 2033 1 4 . 1 1 92 92 LEU CB C 92 41.170 41.170 41.883 -0.713 25451 2034 1 4 . 1 1 92 92 LEU H H 92 7.582 7.582 7.667 -0.085 25451 2035 1 4 . 1 1 93 93 ASP N N 93 118.032 118.032 120.040 -2.008 25451 2036 1 4 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.360 -0.142 25451 2037 1 4 . 1 1 93 93 ASP C C 93 179.344 179.344 178.760 0.584 25451 2038 1 4 . 1 1 93 93 ASP CA C 93 57.955 57.955 58.965 -1.010 25451 2039 1 4 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.233 -0.347 25451 2040 1 4 . 1 1 93 93 ASP H H 93 8.194 8.194 8.522 -0.328 25451 2041 1 4 . 1 1 94 94 GLY N N 94 107.012 107.012 108.784 -1.772 25451 2042 1 4 . 1 1 94 94 GLY C C 94 176.368 176.368 176.200 0.168 25451 2043 1 4 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.906 -0.508 25451 2044 1 4 . 1 1 94 94 GLY H H 94 8.271 8.271 7.626 0.645 25451 2045 1 4 . 1 1 95 95 LEU N N 95 120.472 120.472 121.181 -0.709 25451 2046 1 4 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.023 0.229 25451 2047 1 4 . 1 1 95 95 LEU C C 95 178.285 178.285 178.283 0.002 25451 2048 1 4 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.815 -0.328 25451 2049 1 4 . 1 1 95 95 LEU CB C 95 42.729 42.729 41.920 0.809 25451 2050 1 4 . 1 1 95 95 LEU H H 95 7.475 7.475 8.198 -0.723 25451 2051 1 4 . 1 1 96 96 LEU N N 96 116.181 116.181 118.123 -1.942 25451 2052 1 4 . 1 1 96 96 LEU HA H 96 4.260 4.260 3.960 0.300 25451 2053 1 4 . 1 1 96 96 LEU C C 96 176.186 176.186 177.290 -1.104 25451 2054 1 4 . 1 1 96 96 LEU CA C 96 54.561 54.561 57.105 -2.544 25451 2055 1 4 . 1 1 96 96 LEU CB C 96 42.271 42.271 42.010 0.261 25451 2056 1 4 . 1 1 96 96 LEU H H 96 7.394 7.394 7.549 -0.155 25451 2057 1 5 . 1 1 5 5 SER HA H 5 4.492 4.492 4.226 0.266 25451 2058 1 5 . 1 1 5 5 SER C C 5 176.496 176.496 176.471 0.025 25451 2059 1 5 . 1 1 5 5 SER CA C 5 59.422 59.422 59.295 0.127 25451 2060 1 5 . 1 1 5 5 SER CB C 5 64.100 64.100 63.855 0.245 25451 2061 1 5 . 1 1 6 6 ILE N N 6 120.626 120.626 119.491 1.135 25451 2062 1 5 . 1 1 6 6 ILE HA H 6 3.811 3.811 4.075 -0.264 25451 2063 1 5 . 1 1 6 6 ILE C C 6 176.952 176.952 177.055 -0.103 25451 2064 1 5 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.841 0.259 25451 2065 1 5 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.683 -0.273 25451 2066 1 5 . 1 1 6 6 ILE H H 6 9.168 9.168 8.153 1.015 25451 2067 1 5 . 1 1 7 7 ALA N N 7 122.320 122.320 122.537 -0.217 25451 2068 1 5 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.865 0.029 25451 2069 1 5 . 1 1 7 7 ALA C C 7 179.837 179.837 179.693 0.144 25451 2070 1 5 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.969 0.234 25451 2071 1 5 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.826 0.322 25451 2072 1 5 . 1 1 7 7 ALA H H 7 7.882 7.882 8.537 -0.655 25451 2073 1 5 . 1 1 8 8 SER N N 8 110.329 110.329 114.009 -3.680 25451 2074 1 5 . 1 1 8 8 SER HA H 8 4.227 4.227 4.180 0.047 25451 2075 1 5 . 1 1 8 8 SER C C 8 177.409 177.409 176.859 0.550 25451 2076 1 5 . 1 1 8 8 SER CA C 8 60.156 60.156 60.742 -0.586 25451 2077 1 5 . 1 1 8 8 SER CB C 8 62.908 62.908 63.012 -0.104 25451 2078 1 5 . 1 1 8 8 SER H H 8 7.647 7.647 7.879 -0.232 25451 2079 1 5 . 1 1 9 9 MET N N 9 122.133 122.133 121.683 0.450 25451 2080 1 5 . 1 1 9 9 MET HA H 9 4.127 4.127 4.129 -0.002 25451 2081 1 5 . 1 1 9 9 MET C C 9 180.841 180.841 178.448 2.393 25451 2082 1 5 . 1 1 9 9 MET CA C 9 59.147 59.147 58.796 0.351 25451 2083 1 5 . 1 1 9 9 MET CB C 9 35.025 35.025 32.498 2.527 25451 2084 1 5 . 1 1 9 9 MET H H 9 7.787 7.787 7.738 0.049 25451 2085 1 5 . 1 1 10 10 ILE N N 10 115.009 115.009 116.504 -1.495 25451 2086 1 5 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.822 -0.060 25451 2087 1 5 . 1 1 10 10 ILE C C 10 174.981 174.981 177.028 -2.047 25451 2088 1 5 . 1 1 10 10 ILE CA C 10 65.293 65.293 61.992 3.301 25451 2089 1 5 . 1 1 10 10 ILE CB C 10 37.776 37.776 35.980 1.796 25451 2090 1 5 . 1 1 10 10 ILE H H 10 8.315 8.315 7.656 0.659 25451 2091 1 5 . 1 1 11 11 LYS N N 11 117.153 117.153 118.293 -1.140 25451 2092 1 5 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.321 0.188 25451 2093 1 5 . 1 1 11 11 LYS C C 11 177.774 177.774 178.237 -0.463 25451 2094 1 5 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.319 -1.840 25451 2095 1 5 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.112 0.161 25451 2096 1 5 . 1 1 11 11 LYS H H 11 6.877 6.877 7.445 -0.568 25451 2097 1 5 . 1 1 12 12 GLY N N 12 106.134 106.134 107.798 -1.664 25451 2098 1 5 . 1 1 12 12 GLY C C 12 172.553 172.553 174.848 -2.295 25451 2099 1 5 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.703 0.604 25451 2100 1 5 . 1 1 12 12 GLY H H 12 7.757 7.757 7.971 -0.214 25451 2101 1 5 . 1 1 13 13 ASN N N 13 115.402 115.402 115.576 -0.174 25451 2102 1 5 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.946 -0.354 25451 2103 1 5 . 1 1 13 13 ASN C C 13 174.068 174.068 174.325 -0.257 25451 2104 1 5 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.184 -2.026 25451 2105 1 5 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.650 -0.755 25451 2106 1 5 . 1 1 13 13 ASN H H 13 7.214 7.214 7.508 -0.294 25451 2107 1 5 . 1 1 14 14 LYS N N 14 122.033 122.033 120.773 1.260 25451 2108 1 5 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.121 -0.052 25451 2109 1 5 . 1 1 14 14 LYS C C 14 176.533 176.533 176.615 -0.082 25451 2110 1 5 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.485 1.488 25451 2111 1 5 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.287 -1.747 25451 2112 1 5 . 1 1 14 14 LYS H H 14 8.351 8.351 8.501 -0.150 25451 2113 1 5 . 1 1 15 15 VAL N N 15 117.450 117.450 116.571 0.879 25451 2114 1 5 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.151 -0.127 25451 2115 1 5 . 1 1 15 15 VAL C C 15 174.543 174.543 174.501 0.042 25451 2116 1 5 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.486 -0.146 25451 2117 1 5 . 1 1 15 15 VAL CB C 15 32.732 32.732 34.844 -2.112 25451 2118 1 5 . 1 1 15 15 VAL H H 15 8.021 8.021 8.023 -0.002 25451 2119 1 5 . 1 1 16 16 VAL N N 16 128.604 128.604 126.922 1.682 25451 2120 1 5 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.208 -0.317 25451 2121 1 5 . 1 1 16 16 VAL C C 16 173.922 173.922 174.599 -0.677 25451 2122 1 5 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.071 1.278 25451 2123 1 5 . 1 1 16 16 VAL CB C 16 35.208 35.208 34.696 0.512 25451 2124 1 5 . 1 1 16 16 VAL H H 16 8.909 8.909 9.101 -0.192 25451 2125 1 5 . 1 1 17 17 VAL N N 17 126.814 126.814 125.952 0.862 25451 2126 1 5 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.078 -0.063 25451 2127 1 5 . 1 1 17 17 VAL C C 17 173.593 173.593 174.354 -0.761 25451 2128 1 5 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.678 -0.797 25451 2129 1 5 . 1 1 17 17 VAL CB C 17 35.483 35.483 36.080 -0.597 25451 2130 1 5 . 1 1 17 17 VAL H H 17 8.359 8.359 8.817 -0.458 25451 2131 1 5 . 1 1 18 18 PHE N N 18 125.697 125.697 124.867 0.830 25451 2132 1 5 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.545 -0.131 25451 2133 1 5 . 1 1 18 18 PHE C C 18 175.364 175.364 175.478 -0.114 25451 2134 1 5 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.487 0.642 25451 2135 1 5 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.359 -2.023 25451 2136 1 5 . 1 1 18 18 PHE H H 18 9.015 9.015 9.190 -0.175 25451 2137 1 5 . 1 1 19 19 SER N N 19 120.570 120.570 116.512 4.058 25451 2138 1 5 . 1 1 19 19 SER HA H 19 5.215 5.215 4.998 0.217 25451 2139 1 5 . 1 1 19 19 SER C C 19 173.539 173.539 172.570 0.969 25451 2140 1 5 . 1 1 19 19 SER CA C 19 57.863 57.863 57.407 0.456 25451 2141 1 5 . 1 1 19 19 SER CB C 19 69.512 69.512 66.584 2.928 25451 2142 1 5 . 1 1 19 19 SER H H 19 9.137 9.137 9.118 0.019 25451 2143 1 5 . 1 1 20 20 TRP N N 20 122.520 122.520 122.413 0.107 25451 2144 1 5 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.092 0.853 25451 2145 1 5 . 1 1 20 20 TRP C C 20 178.030 178.030 175.530 2.500 25451 2146 1 5 . 1 1 20 20 TRP CA C 20 54.011 54.011 55.666 -1.655 25451 2147 1 5 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.195 1.995 25451 2148 1 5 . 1 1 20 20 TRP H H 20 8.520 8.520 8.713 -0.193 25451 2149 1 5 . 1 1 21 21 VAL N N 21 124.864 124.864 121.609 3.255 25451 2150 1 5 . 1 1 21 21 VAL C C 21 177.208 177.208 175.924 1.284 25451 2151 1 5 . 1 1 21 21 VAL CA C 21 65.384 65.384 61.150 4.234 25451 2152 1 5 . 1 1 21 21 VAL CB C 21 32.273 32.273 31.341 0.932 25451 2153 1 5 . 1 1 21 21 VAL H H 21 9.956 9.956 8.046 1.910 25451 2154 1 5 . 1 1 22 22 THR HA H 22 4.542 4.542 4.594 -0.052 25451 2155 1 5 . 1 1 22 22 THR C C 22 174.269 174.269 173.467 0.802 25451 2156 1 5 . 1 1 22 22 THR CA C 22 60.982 60.982 61.273 -0.291 25451 2157 1 5 . 1 1 22 22 THR CB C 22 69.237 69.237 69.817 -0.580 25451 2158 1 5 . 1 1 23 23 CYS N N 23 127.689 127.689 123.475 4.214 25451 2159 1 5 . 1 1 23 23 CYS C C 23 175.054 175.054 173.128 1.926 25451 2160 1 5 . 1 1 23 23 CYS CA C 23 56.396 56.396 55.957 0.439 25451 2161 1 5 . 1 1 23 23 CYS CB C 23 32.273 32.273 30.640 1.633 25451 2162 1 5 . 1 1 23 23 CYS H H 23 7.013 7.013 8.447 -1.434 25451 2163 1 5 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.220 0.081 25451 2164 1 5 . 1 1 24 24 PRO C C 24 180.202 180.202 176.668 3.534 25451 2165 1 5 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.748 -0.281 25451 2166 1 5 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.427 0.755 25451 2167 1 5 . 1 1 25 25 TYR N N 25 126.810 126.810 116.074 10.736 25451 2168 1 5 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.514 -0.204 25451 2169 1 5 . 1 1 25 25 TYR C C 25 178.632 178.632 177.517 1.115 25451 2170 1 5 . 1 1 25 25 TYR CA C 25 61.715 61.715 59.162 2.553 25451 2171 1 5 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.386 0.390 25451 2172 1 5 . 1 1 25 25 TYR H H 25 9.569 9.569 7.403 2.166 25451 2173 1 5 . 1 1 26 26 CYS N N 26 127.984 127.984 120.886 7.098 25451 2174 1 5 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.201 -0.182 25451 2175 1 5 . 1 1 26 26 CYS C C 26 176.642 176.642 176.567 0.075 25451 2176 1 5 . 1 1 26 26 CYS CA C 26 64.559 64.559 61.968 2.591 25451 2177 1 5 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.859 1.379 25451 2178 1 5 . 1 1 26 26 CYS H H 26 9.239 9.239 8.081 1.158 25451 2179 1 5 . 1 1 27 27 VAL N N 27 121.054 121.054 120.405 0.649 25451 2180 1 5 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.587 -0.000 25451 2181 1 5 . 1 1 27 27 VAL C C 27 178.614 178.614 177.038 1.576 25451 2182 1 5 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.683 0.077 25451 2183 1 5 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.834 0.256 25451 2184 1 5 . 1 1 27 27 VAL H H 27 8.402 8.402 7.567 0.835 25451 2185 1 5 . 1 1 28 28 ARG N N 28 119.686 119.686 119.142 0.544 25451 2186 1 5 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.975 -0.014 25451 2187 1 5 . 1 1 28 28 ARG C C 28 178.742 178.742 178.848 -0.106 25451 2188 1 5 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.575 0.031 25451 2189 1 5 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.874 0.748 25451 2190 1 5 . 1 1 28 28 ARG H H 28 7.655 7.655 8.186 -0.531 25451 2191 1 5 . 1 1 29 29 ALA N N 29 122.324 122.324 122.364 -0.040 25451 2192 1 5 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.168 -0.157 25451 2193 1 5 . 1 1 29 29 ALA C C 29 178.906 178.906 179.651 -0.745 25451 2194 1 5 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.075 0.037 25451 2195 1 5 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.587 0.020 25451 2196 1 5 . 1 1 29 29 ALA H H 29 8.175 8.175 8.429 -0.254 25451 2197 1 5 . 1 1 30 30 GLU N N 30 117.151 117.151 118.572 -1.421 25451 2198 1 5 . 1 1 30 30 GLU HA H 30 3.537 3.537 4.010 -0.473 25451 2199 1 5 . 1 1 30 30 GLU C C 30 178.030 178.030 179.029 -0.999 25451 2200 1 5 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.615 1.000 25451 2201 1 5 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.622 -0.100 25451 2202 1 5 . 1 1 30 30 GLU H H 30 8.689 8.689 8.246 0.443 25451 2203 1 5 . 1 1 31 31 LYS N N 31 119.597 119.597 120.593 -0.996 25451 2204 1 5 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.106 -0.070 25451 2205 1 5 . 1 1 31 31 LYS C C 31 179.746 179.746 178.920 0.826 25451 2206 1 5 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.536 0.253 25451 2207 1 5 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.584 -0.036 25451 2208 1 5 . 1 1 31 31 LYS H H 31 8.359 8.359 8.161 0.198 25451 2209 1 5 . 1 1 32 32 LEU N N 32 121.147 121.147 121.170 -0.023 25451 2210 1 5 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.076 -0.024 25451 2211 1 5 . 1 1 32 32 LEU C C 32 179.198 179.198 178.687 0.511 25451 2212 1 5 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.539 0.966 25451 2213 1 5 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.309 0.870 25451 2214 1 5 . 1 1 32 32 LEU H H 32 7.610 7.610 7.642 -0.032 25451 2215 1 5 . 1 1 33 33 LEU N N 33 118.120 118.120 118.609 -0.489 25451 2216 1 5 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.734 0.028 25451 2217 1 5 . 1 1 33 33 LEU C C 33 179.234 179.234 179.018 0.216 25451 2218 1 5 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.433 -0.019 25451 2219 1 5 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.305 1.149 25451 2220 1 5 . 1 1 33 33 LEU H H 33 7.904 7.904 8.478 -0.574 25451 2221 1 5 . 1 1 34 34 HIS N N 34 117.939 117.939 117.331 0.608 25451 2222 1 5 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.384 0.249 25451 2223 1 5 . 1 1 34 34 HIS C C 34 176.879 176.879 178.063 -1.184 25451 2224 1 5 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.562 -0.140 25451 2225 1 5 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.742 0.330 25451 2226 1 5 . 1 1 34 34 HIS H H 34 8.876 8.876 8.059 0.817 25451 2227 1 5 . 1 1 35 35 ALA N N 35 118.133 118.133 122.170 -4.037 25451 2228 1 5 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.244 0.041 25451 2229 1 5 . 1 1 35 35 ALA C C 35 178.395 178.395 178.856 -0.461 25451 2230 1 5 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.292 -1.107 25451 2231 1 5 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.757 -0.242 25451 2232 1 5 . 1 1 35 35 ALA H H 35 7.229 7.229 8.273 -1.044 25451 2233 1 5 . 1 1 36 36 ARG N N 36 115.692 115.692 116.375 -0.683 25451 2234 1 5 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.577 -0.135 25451 2235 1 5 . 1 1 36 36 ARG C C 36 175.693 175.693 175.273 0.420 25451 2236 1 5 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.432 0.313 25451 2237 1 5 . 1 1 36 36 ARG CB C 36 32.548 32.548 30.090 2.458 25451 2238 1 5 . 1 1 36 36 ARG H H 36 7.647 7.647 7.826 -0.179 25451 2239 1 5 . 1 1 37 37 THR N N 37 114.964 114.964 111.302 3.662 25451 2240 1 5 . 1 1 37 37 THR HA H 37 4.651 4.651 3.827 0.824 25451 2241 1 5 . 1 1 37 37 THR C C 37 170.636 170.636 173.525 -2.889 25451 2242 1 5 . 1 1 37 37 THR CA C 37 60.523 60.523 63.369 -2.846 25451 2243 1 5 . 1 1 37 37 THR CB C 37 68.870 68.870 67.248 1.622 25451 2244 1 5 . 1 1 37 37 THR H H 37 8.087 8.087 7.755 0.332 25451 2245 1 5 . 1 1 38 38 LYS N N 38 121.835 121.835 121.701 0.134 25451 2246 1 5 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.189 0.478 25451 2247 1 5 . 1 1 38 38 LYS C C 38 178.139 178.139 175.801 2.338 25451 2248 1 5 . 1 1 38 38 LYS CA C 38 55.295 55.295 54.650 0.645 25451 2249 1 5 . 1 1 38 38 LYS CB C 38 32.732 32.732 31.699 1.033 25451 2250 1 5 . 1 1 38 38 LYS H H 38 8.299 8.299 7.965 0.334 25451 2251 1 5 . 1 1 39 39 ASP N N 39 128.517 128.517 125.954 2.563 25451 2252 1 5 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.425 0.458 25451 2253 1 5 . 1 1 39 39 ASP C C 39 172.754 172.754 174.881 -2.127 25451 2254 1 5 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.481 -0.378 25451 2255 1 5 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.759 0.228 25451 2256 1 5 . 1 1 39 39 ASP H H 39 8.823 8.823 8.384 0.439 25451 2257 1 5 . 1 1 40 40 ILE N N 40 116.959 116.959 125.534 -8.575 25451 2258 1 5 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.755 0.518 25451 2259 1 5 . 1 1 40 40 ILE C C 40 174.470 174.470 174.868 -0.398 25451 2260 1 5 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.264 -2.226 25451 2261 1 5 . 1 1 40 40 ILE CB C 40 41.720 41.720 40.671 1.049 25451 2262 1 5 . 1 1 40 40 ILE H H 40 7.273 7.273 7.693 -0.420 25451 2263 1 5 . 1 1 41 41 THR N N 41 125.545 125.545 124.979 0.566 25451 2264 1 5 . 1 1 41 41 THR HA H 41 4.260 4.260 4.693 -0.433 25451 2265 1 5 . 1 1 41 41 THR C C 41 171.476 171.476 172.310 -0.834 25451 2266 1 5 . 1 1 41 41 THR CA C 41 61.807 61.807 61.328 0.479 25451 2267 1 5 . 1 1 41 41 THR CB C 41 72.172 72.172 70.412 1.760 25451 2268 1 5 . 1 1 41 41 THR H H 41 8.564 8.564 8.735 -0.171 25451 2269 1 5 . 1 1 42 42 VAL N N 42 126.913 126.913 126.727 0.186 25451 2270 1 5 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.776 -0.533 25451 2271 1 5 . 1 1 42 42 VAL C C 42 174.086 174.086 173.934 0.152 25451 2272 1 5 . 1 1 42 42 VAL CA C 42 60.248 60.248 58.933 1.315 25451 2273 1 5 . 1 1 42 42 VAL CB C 42 32.824 32.824 34.064 -1.240 25451 2274 1 5 . 1 1 42 42 VAL H H 42 8.271 8.271 8.475 -0.204 25451 2275 1 5 . 1 1 43 43 HIS N N 43 127.392 127.392 127.763 -0.371 25451 2276 1 5 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.757 -0.190 25451 2277 1 5 . 1 1 43 43 HIS C C 43 174.543 174.543 173.313 1.230 25451 2278 1 5 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.147 -0.044 25451 2279 1 5 . 1 1 43 43 HIS CB C 43 31.815 31.815 33.028 -1.213 25451 2280 1 5 . 1 1 43 43 HIS H H 43 8.829 8.829 8.807 0.022 25451 2281 1 5 . 1 1 44 44 TYR N N 44 126.221 126.221 126.628 -0.407 25451 2282 1 5 . 1 1 44 44 TYR HA H 44 5.206 5.206 5.161 0.045 25451 2283 1 5 . 1 1 44 44 TYR C C 44 177.865 177.865 176.939 0.926 25451 2284 1 5 . 1 1 44 44 TYR CA C 44 57.313 57.313 56.334 0.979 25451 2285 1 5 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.782 -1.932 25451 2286 1 5 . 1 1 44 44 TYR H H 44 8.938 8.938 8.649 0.289 25451 2287 1 5 . 1 1 45 45 VAL N N 45 120.086 120.086 119.824 0.262 25451 2288 1 5 . 1 1 45 45 VAL HA H 45 4.351 4.351 4.541 -0.190 25451 2289 1 5 . 1 1 45 45 VAL C C 45 176.952 176.952 176.947 0.005 25451 2290 1 5 . 1 1 45 45 VAL CA C 45 63.917 63.917 63.057 0.860 25451 2291 1 5 . 1 1 45 45 VAL CB C 45 31.264 31.264 32.284 -1.020 25451 2292 1 5 . 1 1 45 45 VAL H H 45 9.037 9.037 8.681 0.356 25451 2293 1 5 . 1 1 46 46 ASP N N 46 118.427 118.427 119.755 -1.328 25451 2294 1 5 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.705 -0.296 25451 2295 1 5 . 1 1 46 46 ASP C C 46 176.989 176.989 176.889 0.100 25451 2296 1 5 . 1 1 46 46 ASP CA C 46 54.745 54.745 54.810 -0.066 25451 2297 1 5 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.321 -3.462 25451 2298 1 5 . 1 1 46 46 ASP H H 46 10.711 10.711 8.675 2.036 25451 2299 1 5 . 1 1 47 47 LYS N N 47 119.396 119.396 119.019 0.377 25451 2300 1 5 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.313 0.229 25451 2301 1 5 . 1 1 47 47 LYS C C 47 176.350 176.350 176.616 -0.266 25451 2302 1 5 . 1 1 47 47 LYS CA C 47 55.020 55.020 56.976 -1.956 25451 2303 1 5 . 1 1 47 47 LYS CB C 47 32.640 32.640 32.966 -0.326 25451 2304 1 5 . 1 1 47 47 LYS H H 47 7.801 7.801 7.921 -0.120 25451 2305 1 5 . 1 1 48 48 MET N N 48 118.957 118.957 115.942 3.015 25451 2306 1 5 . 1 1 48 48 MET C C 48 177.500 177.500 176.072 1.428 25451 2307 1 5 . 1 1 48 48 MET CA C 48 54.928 54.928 54.678 0.250 25451 2308 1 5 . 1 1 48 48 MET CB C 48 36.492 36.492 35.779 0.713 25451 2309 1 5 . 1 1 48 48 MET H H 48 7.331 7.331 7.536 -0.205 25451 2310 1 5 . 1 1 49 49 SER HA H 49 4.260 4.260 4.251 0.009 25451 2311 1 5 . 1 1 49 49 SER C C 49 176.898 176.898 176.495 0.403 25451 2312 1 5 . 1 1 49 49 SER CA C 49 61.899 61.899 61.011 0.888 25451 2313 1 5 . 1 1 50 50 GLU N N 50 121.350 121.350 122.204 -0.854 25451 2314 1 5 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.120 0.630 25451 2315 1 5 . 1 1 50 50 GLU C C 50 176.971 176.971 178.636 -1.665 25451 2316 1 5 . 1 1 50 50 GLU CA C 50 56.487 56.487 58.487 -2.000 25451 2317 1 5 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.478 -1.240 25451 2318 1 5 . 1 1 50 50 GLU H H 50 10.024 10.024 8.776 1.248 25451 2319 1 5 . 1 1 51 51 GLY N N 51 109.546 109.546 107.547 1.999 25451 2320 1 5 . 1 1 51 51 GLY C C 51 175.602 175.602 175.972 -0.370 25451 2321 1 5 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.092 1.783 25451 2322 1 5 . 1 1 51 51 GLY H H 51 8.124 8.124 8.226 -0.102 25451 2323 1 5 . 1 1 52 52 GLU N N 52 120.614 120.614 121.012 -0.398 25451 2324 1 5 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.005 0.197 25451 2325 1 5 . 1 1 52 52 GLU C C 52 180.056 180.056 178.973 1.083 25451 2326 1 5 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.212 0.210 25451 2327 1 5 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.586 -0.615 25451 2328 1 5 . 1 1 52 52 GLU H H 52 8.821 8.821 7.908 0.913 25451 2329 1 5 . 1 1 53 53 GLN N N 53 123.591 123.591 119.194 4.397 25451 2330 1 5 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.051 0.093 25451 2331 1 5 . 1 1 53 53 GLN C C 53 179.600 179.600 178.312 1.288 25451 2332 1 5 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.746 0.310 25451 2333 1 5 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.821 -1.134 25451 2334 1 5 . 1 1 53 53 GLN H H 53 8.117 8.117 7.776 0.342 25451 2335 1 5 . 1 1 54 54 LEU N N 54 120.960 120.960 120.328 0.632 25451 2336 1 5 . 1 1 54 54 LEU HA H 54 4.011 4.011 3.948 0.063 25451 2337 1 5 . 1 1 54 54 LEU C C 54 179.417 179.417 178.893 0.524 25451 2338 1 5 . 1 1 54 54 LEU CA C 54 57.863 57.863 57.062 0.801 25451 2339 1 5 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.601 -0.165 25451 2340 1 5 . 1 1 54 54 LEU H H 54 8.249 8.249 8.517 -0.268 25451 2341 1 5 . 1 1 55 55 ARG N N 55 118.038 118.038 119.324 -1.286 25451 2342 1 5 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.938 -0.143 25451 2343 1 5 . 1 1 55 55 ARG C C 55 180.439 180.439 179.099 1.340 25451 2344 1 5 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.804 0.811 25451 2345 1 5 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.946 -0.424 25451 2346 1 5 . 1 1 55 55 ARG H H 55 8.402 8.402 8.406 -0.004 25451 2347 1 5 . 1 1 56 56 GLY N N 56 110.675 110.675 107.071 3.604 25451 2348 1 5 . 1 1 56 56 GLY C C 56 176.350 176.350 176.149 0.201 25451 2349 1 5 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.055 0.169 25451 2350 1 5 . 1 1 56 56 GLY H H 56 8.376 8.376 8.229 0.147 25451 2351 1 5 . 1 1 57 57 GLU N N 57 124.469 124.469 122.125 2.344 25451 2352 1 5 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.049 0.028 25451 2353 1 5 . 1 1 57 57 GLU C C 57 180.184 180.184 179.187 0.997 25451 2354 1 5 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.714 0.892 25451 2355 1 5 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.120 0.860 25451 2356 1 5 . 1 1 57 57 GLU H H 57 8.146 8.146 7.650 0.496 25451 2357 1 5 . 1 1 58 58 ILE N N 58 121.352 121.352 120.547 0.805 25451 2358 1 5 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.805 -0.118 25451 2359 1 5 . 1 1 58 58 ILE C C 58 178.030 178.030 177.653 0.377 25451 2360 1 5 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.313 0.255 25451 2361 1 5 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.912 0.415 25451 2362 1 5 . 1 1 58 58 ILE H H 58 8.201 8.201 7.693 0.508 25451 2363 1 5 . 1 1 59 59 TYR N N 59 121.934 121.934 120.989 0.945 25451 2364 1 5 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.306 -0.171 25451 2365 1 5 . 1 1 59 59 TYR C C 59 178.322 178.322 178.450 -0.128 25451 2366 1 5 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.964 0.027 25451 2367 1 5 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.759 -0.799 25451 2368 1 5 . 1 1 59 59 TYR H H 59 8.256 8.256 8.578 -0.322 25451 2369 1 5 . 1 1 60 60 GLN N N 60 119.694 119.694 118.292 1.402 25451 2370 1 5 . 1 1 60 60 GLN HA H 60 3.679 3.679 3.886 -0.207 25451 2371 1 5 . 1 1 60 60 GLN C C 60 177.336 177.336 177.489 -0.153 25451 2372 1 5 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.999 -0.219 25451 2373 1 5 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.554 -0.041 25451 2374 1 5 . 1 1 60 60 GLN H H 60 8.512 8.512 8.201 0.311 25451 2375 1 5 . 1 1 61 61 ALA N N 61 117.444 117.444 119.699 -2.255 25451 2376 1 5 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.948 0.021 25451 2377 1 5 . 1 1 61 61 ALA C C 61 179.180 179.180 178.666 0.514 25451 2378 1 5 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.389 0.347 25451 2379 1 5 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.134 1.024 25451 2380 1 5 . 1 1 61 61 ALA H H 61 7.749 7.749 7.452 0.297 25451 2381 1 5 . 1 1 62 62 TYR N N 62 113.265 113.265 114.948 -1.683 25451 2382 1 5 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.453 0.072 25451 2383 1 5 . 1 1 62 62 TYR C C 62 175.036 175.036 175.566 -0.530 25451 2384 1 5 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.385 0.928 25451 2385 1 5 . 1 1 62 62 TYR CB C 62 38.969 38.969 39.092 -0.123 25451 2386 1 5 . 1 1 62 62 TYR H H 62 7.801 7.801 7.586 0.215 25451 2387 1 5 . 1 1 63 63 LYS N N 63 117.584 117.584 115.855 1.729 25451 2388 1 5 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.891 0.613 25451 2389 1 5 . 1 1 63 63 LYS C C 63 173.812 173.812 174.233 -0.421 25451 2390 1 5 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.904 -0.233 25451 2391 1 5 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.042 -0.529 25451 2392 1 5 . 1 1 63 63 LYS H H 63 8.098 8.098 7.710 0.388 25451 2393 1 5 . 1 1 64 64 HIS N N 64 118.618 118.618 115.837 2.781 25451 2394 1 5 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.735 0.222 25451 2395 1 5 . 1 1 64 64 HIS C C 64 175.985 175.985 174.317 1.668 25451 2396 1 5 . 1 1 64 64 HIS CA C 64 55.754 55.754 54.844 0.910 25451 2397 1 5 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.766 1.167 25451 2398 1 5 . 1 1 64 64 HIS H H 64 6.524 6.524 7.228 -0.704 25451 2399 1 5 . 1 1 65 65 GLU N N 65 126.723 126.723 119.553 7.170 25451 2400 1 5 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.700 -0.307 25451 2401 1 5 . 1 1 65 65 GLU C C 65 175.346 175.346 176.307 -0.961 25451 2402 1 5 . 1 1 65 65 GLU CA C 65 56.946 56.946 56.929 0.017 25451 2403 1 5 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.156 1.117 25451 2404 1 5 . 1 1 65 65 GLU H H 65 9.188 9.188 8.712 0.476 25451 2405 1 5 . 1 1 66 66 THR N N 66 108.043 108.043 113.492 -5.449 25451 2406 1 5 . 1 1 66 66 THR HA H 66 4.393 4.393 4.700 -0.307 25451 2407 1 5 . 1 1 66 66 THR C C 66 174.579 174.579 173.265 1.314 25451 2408 1 5 . 1 1 66 66 THR CA C 66 59.698 59.698 61.730 -2.031 25451 2409 1 5 . 1 1 66 66 THR CB C 66 71.071 71.071 71.204 -0.133 25451 2410 1 5 . 1 1 66 66 THR H H 66 6.296 6.296 7.622 -1.326 25451 2411 1 5 . 1 1 67 67 VAL N N 67 112.473 112.473 117.384 -4.911 25451 2412 1 5 . 1 1 67 67 VAL C C 67 173.027 173.027 173.651 -0.624 25451 2413 1 5 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.119 -4.072 25451 2414 1 5 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.780 0.402 25451 2415 1 5 . 1 1 67 67 VAL H H 67 7.688 7.688 8.713 -1.025 25451 2416 1 5 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.455 0.975 25451 2417 1 5 . 1 1 68 68 PRO C C 68 176.405 176.405 175.378 1.027 25451 2418 1 5 . 1 1 68 68 PRO CA C 68 61.807 61.807 63.016 -1.209 25451 2419 1 5 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.420 2.421 25451 2420 1 5 . 1 1 69 69 ALA N N 69 124.309 124.309 120.826 3.483 25451 2421 1 5 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.645 0.163 25451 2422 1 5 . 1 1 69 69 ALA C C 69 175.273 175.273 176.470 -1.197 25451 2423 1 5 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.116 0.235 25451 2424 1 5 . 1 1 69 69 ALA CB C 69 21.725 21.725 21.063 0.662 25451 2425 1 5 . 1 1 69 69 ALA H H 69 8.952 8.952 8.062 0.890 25451 2426 1 5 . 1 1 70 70 ILE N N 70 124.569 124.569 121.623 2.946 25451 2427 1 5 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.994 -0.444 25451 2428 1 5 . 1 1 70 70 ILE C C 70 172.553 172.553 174.177 -1.624 25451 2429 1 5 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.283 1.799 25451 2430 1 5 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.514 -1.444 25451 2431 1 5 . 1 1 70 70 ILE H H 70 8.447 8.447 8.349 0.098 25451 2432 1 5 . 1 1 71 71 PHE N N 71 127.490 127.490 123.844 3.646 25451 2433 1 5 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.440 -0.217 25451 2434 1 5 . 1 1 71 71 PHE C C 71 174.798 174.798 174.707 0.091 25451 2435 1 5 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.287 -0.166 25451 2436 1 5 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.275 -1.188 25451 2437 1 5 . 1 1 71 71 PHE H H 71 9.219 9.219 9.275 -0.056 25451 2438 1 5 . 1 1 72 72 ILE N N 72 118.614 118.614 121.721 -3.107 25451 2439 1 5 . 1 1 72 72 ILE HA H 72 5.107 5.107 5.020 0.087 25451 2440 1 5 . 1 1 72 72 ILE C C 72 177.518 177.518 176.099 1.419 25451 2441 1 5 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.427 0.096 25451 2442 1 5 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.939 0.048 25451 2443 1 5 . 1 1 72 72 ILE H H 72 8.715 8.715 9.052 -0.337 25451 2444 1 5 . 1 1 73 73 ASN N N 73 129.431 129.431 126.543 2.888 25451 2445 1 5 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.388 0.279 25451 2446 1 5 . 1 1 73 73 ASN C C 73 175.273 175.273 175.779 -0.506 25451 2447 1 5 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.565 -0.004 25451 2448 1 5 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.943 0.375 25451 2449 1 5 . 1 1 73 73 ASN H H 73 10.691 10.691 9.431 1.260 25451 2450 1 5 . 1 1 74 74 GLY N N 74 104.235 104.235 102.944 1.291 25451 2451 1 5 . 1 1 74 74 GLY C C 74 172.754 172.754 174.082 -1.328 25451 2452 1 5 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.452 -0.430 25451 2453 1 5 . 1 1 74 74 GLY H H 74 9.529 9.529 8.952 0.577 25451 2454 1 5 . 1 1 75 75 ASN N N 75 119.009 119.009 120.760 -1.751 25451 2455 1 5 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.037 0.061 25451 2456 1 5 . 1 1 75 75 ASN C C 75 174.269 174.269 174.109 0.160 25451 2457 1 5 . 1 1 75 75 ASN CA C 75 51.626 51.626 51.882 -0.256 25451 2458 1 5 . 1 1 75 75 ASN CB C 75 39.978 39.978 39.196 0.783 25451 2459 1 5 . 1 1 75 75 ASN H H 75 8.116 8.116 8.153 -0.037 25451 2460 1 5 . 1 1 76 76 PHE N N 76 124.901 124.901 125.847 -0.946 25451 2461 1 5 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.435 -0.781 25451 2462 1 5 . 1 1 76 76 PHE C C 76 175.273 175.273 174.922 0.351 25451 2463 1 5 . 1 1 76 76 PHE CA C 76 57.863 57.863 57.459 0.404 25451 2464 1 5 . 1 1 76 76 PHE CB C 76 38.877 38.877 39.503 -0.626 25451 2465 1 5 . 1 1 76 76 PHE H H 76 9.004 9.004 8.696 0.308 25451 2466 1 5 . 1 1 77 77 ILE N N 77 126.459 126.459 126.142 0.317 25451 2467 1 5 . 1 1 77 77 ILE C C 77 174.506 174.506 172.932 1.574 25451 2468 1 5 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.676 -1.171 25451 2469 1 5 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.938 -4.528 25451 2470 1 5 . 1 1 77 77 ILE H H 77 8.161 8.161 8.090 0.071 25451 2471 1 5 . 1 1 78 78 GLY C C 78 172.005 172.005 173.292 -1.287 25451 2472 1 5 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.884 -0.329 25451 2473 1 5 . 1 1 79 79 GLY N N 79 109.745 109.745 112.436 -2.691 25451 2474 1 5 . 1 1 79 79 GLY C C 79 174.981 174.981 173.921 1.060 25451 2475 1 5 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.674 -1.211 25451 2476 1 5 . 1 1 79 79 GLY H H 79 9.114 9.114 7.780 1.334 25451 2477 1 5 . 1 1 80 80 CYS N N 80 120.764 120.764 122.733 -1.969 25451 2478 1 5 . 1 1 80 80 CYS C C 80 176.533 176.533 175.752 0.781 25451 2479 1 5 . 1 1 80 80 CYS CA C 80 63.825 63.825 61.058 2.767 25451 2480 1 5 . 1 1 80 80 CYS CB C 80 26.770 26.770 26.870 -0.100 25451 2481 1 5 . 1 1 80 80 CYS H H 80 8.571 8.571 8.954 -0.383 25451 2482 1 5 . 1 1 81 81 SER HA H 81 3.903 3.903 4.081 -0.178 25451 2483 1 5 . 1 1 81 81 SER C C 81 177.318 177.318 175.434 1.884 25451 2484 1 5 . 1 1 81 81 SER CA C 81 61.440 61.440 61.073 0.367 25451 2485 1 5 . 1 1 82 82 ASP N N 82 122.226 122.226 121.290 0.936 25451 2486 1 5 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.381 -0.030 25451 2487 1 5 . 1 1 82 82 ASP C C 82 177.993 177.993 178.143 -0.150 25451 2488 1 5 . 1 1 82 82 ASP CA C 82 57.129 57.129 57.290 -0.161 25451 2489 1 5 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.603 0.934 25451 2490 1 5 . 1 1 82 82 ASP H H 82 7.060 7.060 8.057 -0.997 25451 2491 1 5 . 1 1 83 83 LEU N N 83 121.542 121.542 120.647 0.895 25451 2492 1 5 . 1 1 83 83 LEU HA H 83 3.787 3.787 3.987 -0.200 25451 2493 1 5 . 1 1 83 83 LEU C C 83 177.957 177.957 178.200 -0.243 25451 2494 1 5 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.862 0.001 25451 2495 1 5 . 1 1 83 83 LEU CB C 83 42.087 42.087 41.981 0.106 25451 2496 1 5 . 1 1 83 83 LEU H H 83 7.793 7.793 7.867 -0.074 25451 2497 1 5 . 1 1 84 84 GLU N N 84 117.702 117.702 118.705 -1.003 25451 2498 1 5 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.878 -0.058 25451 2499 1 5 . 1 1 84 84 GLU C C 84 179.161 179.161 178.751 0.410 25451 2500 1 5 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.354 0.344 25451 2501 1 5 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.292 0.230 25451 2502 1 5 . 1 1 84 84 GLU H H 84 8.432 8.432 8.478 -0.046 25451 2503 1 5 . 1 1 85 85 ALA N N 85 122.903 122.903 121.980 0.923 25451 2504 1 5 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.016 0.161 25451 2505 1 5 . 1 1 85 85 ALA C C 85 179.892 179.892 179.351 0.541 25451 2506 1 5 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.154 0.141 25451 2507 1 5 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.311 -0.530 25451 2508 1 5 . 1 1 85 85 ALA H H 85 7.890 7.890 7.796 0.094 25451 2509 1 5 . 1 1 86 86 LEU N N 86 118.087 118.087 118.659 -0.572 25451 2510 1 5 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.926 0.093 25451 2511 1 5 . 1 1 86 86 LEU C C 86 179.764 179.764 178.606 1.158 25451 2512 1 5 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.263 0.417 25451 2513 1 5 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.334 1.487 25451 2514 1 5 . 1 1 86 86 LEU H H 86 7.567 7.567 7.478 0.089 25451 2515 1 5 . 1 1 87 87 ASP N N 87 119.239 119.239 120.292 -1.053 25451 2516 1 5 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.396 0.105 25451 2517 1 5 . 1 1 87 87 ASP C C 87 179.563 179.563 179.174 0.389 25451 2518 1 5 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.191 -0.337 25451 2519 1 5 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.767 1.228 25451 2520 1 5 . 1 1 87 87 ASP H H 87 7.985 7.985 7.677 0.308 25451 2521 1 5 . 1 1 88 88 LYS N N 88 121.741 121.741 119.857 1.884 25451 2522 1 5 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.140 -0.104 25451 2523 1 5 . 1 1 88 88 LYS C C 88 178.778 178.778 178.551 0.227 25451 2524 1 5 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.383 0.764 25451 2525 1 5 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.476 -0.294 25451 2526 1 5 . 1 1 88 88 LYS H H 88 8.461 8.461 7.950 0.511 25451 2527 1 5 . 1 1 89 89 GLU N N 89 115.496 115.496 117.435 -1.939 25451 2528 1 5 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.344 -0.034 25451 2529 1 5 . 1 1 89 89 GLU C C 89 176.806 176.806 176.915 -0.109 25451 2530 1 5 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.076 0.136 25451 2531 1 5 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.742 0.605 25451 2532 1 5 . 1 1 89 89 GLU H H 89 7.838 7.838 7.811 0.027 25451 2533 1 5 . 1 1 90 90 GLY N N 90 108.622 108.622 107.452 1.170 25451 2534 1 5 . 1 1 90 90 GLY C C 90 175.985 175.985 175.318 0.667 25451 2535 1 5 . 1 1 90 90 GLY CA C 90 46.215 46.215 45.998 0.217 25451 2536 1 5 . 1 1 90 90 GLY H H 90 7.992 7.992 7.776 0.216 25451 2537 1 5 . 1 1 91 91 LYS N N 91 117.355 117.355 120.165 -2.810 25451 2538 1 5 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.331 -0.005 25451 2539 1 5 . 1 1 91 91 LYS C C 91 177.518 177.518 177.272 0.246 25451 2540 1 5 . 1 1 91 91 LYS CA C 91 56.487 56.487 57.341 -0.854 25451 2541 1 5 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.707 2.410 25451 2542 1 5 . 1 1 91 91 LYS H H 91 8.047 8.047 8.007 0.040 25451 2543 1 5 . 1 1 92 92 LEU N N 92 121.641 121.641 119.970 1.671 25451 2544 1 5 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.198 -0.245 25451 2545 1 5 . 1 1 92 92 LEU C C 92 177.518 177.518 177.385 0.133 25451 2546 1 5 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.298 0.198 25451 2547 1 5 . 1 1 92 92 LEU CB C 92 41.170 41.170 42.271 -1.101 25451 2548 1 5 . 1 1 92 92 LEU H H 92 7.582 7.582 7.456 0.126 25451 2549 1 5 . 1 1 93 93 ASP N N 93 118.032 118.032 119.602 -1.570 25451 2550 1 5 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.378 -0.160 25451 2551 1 5 . 1 1 93 93 ASP C C 93 179.344 179.344 178.158 1.186 25451 2552 1 5 . 1 1 93 93 ASP CA C 93 57.955 57.955 57.823 0.132 25451 2553 1 5 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.394 -0.508 25451 2554 1 5 . 1 1 93 93 ASP H H 93 8.194 8.194 8.487 -0.293 25451 2555 1 5 . 1 1 94 94 GLY N N 94 107.012 107.012 108.182 -1.170 25451 2556 1 5 . 1 1 94 94 GLY C C 94 176.368 176.368 175.968 0.400 25451 2557 1 5 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.623 -0.225 25451 2558 1 5 . 1 1 94 94 GLY H H 94 8.271 8.271 7.747 0.524 25451 2559 1 5 . 1 1 95 95 LEU N N 95 120.472 120.472 120.741 -0.269 25451 2560 1 5 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.107 0.145 25451 2561 1 5 . 1 1 95 95 LEU C C 95 178.285 178.285 177.351 0.934 25451 2562 1 5 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.337 0.150 25451 2563 1 5 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.265 0.464 25451 2564 1 5 . 1 1 95 95 LEU H H 95 7.475 7.475 7.436 0.039 25451 2565 1 5 . 1 1 96 96 LEU N N 96 116.181 116.181 115.655 0.526 25451 2566 1 5 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.307 -0.047 25451 2567 1 5 . 1 1 96 96 LEU C C 96 176.186 176.186 176.774 -0.588 25451 2568 1 5 . 1 1 96 96 LEU CA C 96 54.561 54.561 54.281 0.280 25451 2569 1 5 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.253 1.018 25451 2570 1 5 . 1 1 96 96 LEU H H 96 7.394 7.394 7.340 0.054 25451 2571 1 6 . 1 1 5 5 SER HA H 5 4.492 4.492 4.668 -0.176 25451 2572 1 6 . 1 1 5 5 SER C C 5 176.496 176.496 175.637 0.859 25451 2573 1 6 . 1 1 5 5 SER CA C 5 59.422 59.422 56.439 2.983 25451 2574 1 6 . 1 1 5 5 SER CB C 5 64.100 64.100 65.268 -1.168 25451 2575 1 6 . 1 1 6 6 ILE N N 6 120.626 120.626 119.317 1.309 25451 2576 1 6 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.962 -0.151 25451 2577 1 6 . 1 1 6 6 ILE C C 6 176.952 176.952 177.240 -0.288 25451 2578 1 6 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.348 0.752 25451 2579 1 6 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.696 -0.286 25451 2580 1 6 . 1 1 6 6 ILE H H 6 9.168 9.168 8.509 0.659 25451 2581 1 6 . 1 1 7 7 ALA N N 7 122.320 122.320 123.236 -0.916 25451 2582 1 6 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.872 0.022 25451 2583 1 6 . 1 1 7 7 ALA C C 7 179.837 179.837 179.479 0.358 25451 2584 1 6 . 1 1 7 7 ALA CA C 7 55.203 55.203 55.064 0.139 25451 2585 1 6 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.871 0.277 25451 2586 1 6 . 1 1 7 7 ALA H H 7 7.882 7.882 8.115 -0.233 25451 2587 1 6 . 1 1 8 8 SER N N 8 110.329 110.329 113.804 -3.475 25451 2588 1 6 . 1 1 8 8 SER HA H 8 4.227 4.227 4.150 0.077 25451 2589 1 6 . 1 1 8 8 SER C C 8 177.409 177.409 176.529 0.880 25451 2590 1 6 . 1 1 8 8 SER CA C 8 60.156 60.156 61.824 -1.668 25451 2591 1 6 . 1 1 8 8 SER CB C 8 62.908 62.908 63.075 -0.167 25451 2592 1 6 . 1 1 8 8 SER H H 8 7.647 7.647 7.685 -0.038 25451 2593 1 6 . 1 1 9 9 MET N N 9 122.133 122.133 119.952 2.181 25451 2594 1 6 . 1 1 9 9 MET HA H 9 4.127 4.127 4.105 0.022 25451 2595 1 6 . 1 1 9 9 MET C C 9 180.841 180.841 177.794 3.047 25451 2596 1 6 . 1 1 9 9 MET CA C 9 59.147 59.147 59.429 -0.282 25451 2597 1 6 . 1 1 9 9 MET CB C 9 35.025 35.025 32.569 2.457 25451 2598 1 6 . 1 1 9 9 MET H H 9 7.787 7.787 7.772 0.015 25451 2599 1 6 . 1 1 10 10 ILE N N 10 115.009 115.009 116.934 -1.925 25451 2600 1 6 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.848 -0.086 25451 2601 1 6 . 1 1 10 10 ILE C C 10 174.981 174.981 177.209 -2.228 25451 2602 1 6 . 1 1 10 10 ILE CA C 10 65.293 65.293 63.370 1.923 25451 2603 1 6 . 1 1 10 10 ILE CB C 10 37.776 37.776 36.855 0.921 25451 2604 1 6 . 1 1 10 10 ILE H H 10 8.315 8.315 7.267 1.048 25451 2605 1 6 . 1 1 11 11 LYS N N 11 117.153 117.153 118.631 -1.478 25451 2606 1 6 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.287 0.222 25451 2607 1 6 . 1 1 11 11 LYS C C 11 177.774 177.774 178.187 -0.413 25451 2608 1 6 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.697 -2.218 25451 2609 1 6 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.211 0.062 25451 2610 1 6 . 1 1 11 11 LYS H H 11 6.877 6.877 7.433 -0.556 25451 2611 1 6 . 1 1 12 12 GLY N N 12 106.134 106.134 108.122 -1.988 25451 2612 1 6 . 1 1 12 12 GLY C C 12 172.553 172.553 174.931 -2.378 25451 2613 1 6 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.217 1.089 25451 2614 1 6 . 1 1 12 12 GLY H H 12 7.757 7.757 7.544 0.213 25451 2615 1 6 . 1 1 13 13 ASN N N 13 115.402 115.402 117.549 -2.147 25451 2616 1 6 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.898 -0.306 25451 2617 1 6 . 1 1 13 13 ASN C C 13 174.068 174.068 174.550 -0.482 25451 2618 1 6 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.292 -2.133 25451 2619 1 6 . 1 1 13 13 ASN CB C 13 40.895 40.895 40.940 -0.045 25451 2620 1 6 . 1 1 13 13 ASN H H 13 7.214 7.214 7.658 -0.444 25451 2621 1 6 . 1 1 14 14 LYS N N 14 122.033 122.033 121.268 0.765 25451 2622 1 6 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.400 -0.331 25451 2623 1 6 . 1 1 14 14 LYS C C 14 176.533 176.533 176.122 0.411 25451 2624 1 6 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.731 1.242 25451 2625 1 6 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.526 -1.986 25451 2626 1 6 . 1 1 14 14 LYS H H 14 8.351 8.351 8.541 -0.190 25451 2627 1 6 . 1 1 15 15 VAL N N 15 117.450 117.450 117.369 0.081 25451 2628 1 6 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.143 -0.119 25451 2629 1 6 . 1 1 15 15 VAL C C 15 174.543 174.543 174.521 0.022 25451 2630 1 6 . 1 1 15 15 VAL CA C 15 60.340 60.340 59.850 0.490 25451 2631 1 6 . 1 1 15 15 VAL CB C 15 32.732 32.732 34.325 -1.593 25451 2632 1 6 . 1 1 15 15 VAL H H 15 8.021 8.021 7.813 0.208 25451 2633 1 6 . 1 1 16 16 VAL N N 16 128.604 128.604 127.885 0.719 25451 2634 1 6 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.000 -0.109 25451 2635 1 6 . 1 1 16 16 VAL C C 16 173.922 173.922 174.560 -0.638 25451 2636 1 6 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.950 0.399 25451 2637 1 6 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.160 0.048 25451 2638 1 6 . 1 1 16 16 VAL H H 16 8.909 8.909 9.156 -0.247 25451 2639 1 6 . 1 1 17 17 VAL N N 17 126.814 126.814 124.253 2.561 25451 2640 1 6 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.136 -0.121 25451 2641 1 6 . 1 1 17 17 VAL C C 17 173.593 173.593 174.266 -0.673 25451 2642 1 6 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.213 -0.332 25451 2643 1 6 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.832 -0.349 25451 2644 1 6 . 1 1 17 17 VAL H H 17 8.359 8.359 8.931 -0.572 25451 2645 1 6 . 1 1 18 18 PHE N N 18 125.697 125.697 124.161 1.536 25451 2646 1 6 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.394 0.020 25451 2647 1 6 . 1 1 18 18 PHE C C 18 175.364 175.364 175.329 0.035 25451 2648 1 6 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.446 0.683 25451 2649 1 6 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.746 -2.410 25451 2650 1 6 . 1 1 18 18 PHE H H 18 9.015 9.015 9.255 -0.240 25451 2651 1 6 . 1 1 19 19 SER N N 19 120.570 120.570 115.905 4.665 25451 2652 1 6 . 1 1 19 19 SER HA H 19 5.215 5.215 4.832 0.383 25451 2653 1 6 . 1 1 19 19 SER C C 19 173.539 173.539 172.503 1.036 25451 2654 1 6 . 1 1 19 19 SER CA C 19 57.863 57.863 57.018 0.845 25451 2655 1 6 . 1 1 19 19 SER CB C 19 69.512 69.512 66.665 2.847 25451 2656 1 6 . 1 1 19 19 SER H H 19 9.137 9.137 9.035 0.102 25451 2657 1 6 . 1 1 20 20 TRP N N 20 122.520 122.520 120.219 2.301 25451 2658 1 6 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.300 0.645 25451 2659 1 6 . 1 1 20 20 TRP C C 20 178.030 178.030 176.589 1.441 25451 2660 1 6 . 1 1 20 20 TRP CA C 20 54.011 54.011 55.640 -1.629 25451 2661 1 6 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.663 1.527 25451 2662 1 6 . 1 1 20 20 TRP H H 20 8.520 8.520 8.547 -0.027 25451 2663 1 6 . 1 1 21 21 VAL N N 21 124.864 124.864 124.077 0.787 25451 2664 1 6 . 1 1 21 21 VAL C C 21 177.208 177.208 175.892 1.316 25451 2665 1 6 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.242 3.142 25451 2666 1 6 . 1 1 21 21 VAL CB C 21 32.273 32.273 31.333 0.940 25451 2667 1 6 . 1 1 21 21 VAL H H 21 9.956 9.956 9.112 0.844 25451 2668 1 6 . 1 1 22 22 THR HA H 22 4.542 4.542 4.579 -0.037 25451 2669 1 6 . 1 1 22 22 THR C C 22 174.269 174.269 173.726 0.543 25451 2670 1 6 . 1 1 22 22 THR CA C 22 60.982 60.982 61.713 -0.731 25451 2671 1 6 . 1 1 22 22 THR CB C 22 69.237 69.237 69.690 -0.453 25451 2672 1 6 . 1 1 23 23 CYS N N 23 127.689 127.689 126.820 0.869 25451 2673 1 6 . 1 1 23 23 CYS C C 23 175.054 175.054 174.806 0.248 25451 2674 1 6 . 1 1 23 23 CYS CA C 23 56.396 56.396 55.957 0.439 25451 2675 1 6 . 1 1 23 23 CYS CB C 23 32.273 32.273 29.011 3.262 25451 2676 1 6 . 1 1 23 23 CYS H H 23 7.013 7.013 8.669 -1.656 25451 2677 1 6 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.239 0.062 25451 2678 1 6 . 1 1 24 24 PRO C C 24 180.202 180.202 176.426 3.776 25451 2679 1 6 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.830 -0.363 25451 2680 1 6 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.584 0.598 25451 2681 1 6 . 1 1 25 25 TYR N N 25 126.810 126.810 117.515 9.295 25451 2682 1 6 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.389 -0.079 25451 2683 1 6 . 1 1 25 25 TYR C C 25 178.632 178.632 177.640 0.992 25451 2684 1 6 . 1 1 25 25 TYR CA C 25 61.715 61.715 59.963 1.752 25451 2685 1 6 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.925 -0.149 25451 2686 1 6 . 1 1 25 25 TYR H H 25 9.569 9.569 7.656 1.913 25451 2687 1 6 . 1 1 26 26 CYS N N 26 127.984 127.984 120.347 7.637 25451 2688 1 6 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.121 -0.102 25451 2689 1 6 . 1 1 26 26 CYS C C 26 176.642 176.642 176.705 -0.063 25451 2690 1 6 . 1 1 26 26 CYS CA C 26 64.559 64.559 61.987 2.571 25451 2691 1 6 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.313 1.925 25451 2692 1 6 . 1 1 26 26 CYS H H 26 9.239 9.239 8.076 1.163 25451 2693 1 6 . 1 1 27 27 VAL N N 27 121.054 121.054 120.416 0.638 25451 2694 1 6 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.568 0.019 25451 2695 1 6 . 1 1 27 27 VAL C C 27 178.614 178.614 177.131 1.483 25451 2696 1 6 . 1 1 27 27 VAL CA C 27 66.760 66.760 67.017 -0.258 25451 2697 1 6 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.939 0.151 25451 2698 1 6 . 1 1 27 27 VAL H H 27 8.402 8.402 8.422 -0.020 25451 2699 1 6 . 1 1 28 28 ARG N N 28 119.686 119.686 118.817 0.869 25451 2700 1 6 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.915 0.046 25451 2701 1 6 . 1 1 28 28 ARG C C 28 178.742 178.742 178.332 0.410 25451 2702 1 6 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.694 -0.088 25451 2703 1 6 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.848 0.774 25451 2704 1 6 . 1 1 28 28 ARG H H 28 7.655 7.655 8.129 -0.474 25451 2705 1 6 . 1 1 29 29 ALA N N 29 122.324 122.324 122.569 -0.245 25451 2706 1 6 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.082 -0.071 25451 2707 1 6 . 1 1 29 29 ALA C C 29 178.906 178.906 179.683 -0.777 25451 2708 1 6 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.111 0.001 25451 2709 1 6 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.315 0.292 25451 2710 1 6 . 1 1 29 29 ALA H H 29 8.175 8.175 8.297 -0.122 25451 2711 1 6 . 1 1 30 30 GLU N N 30 117.151 117.151 118.435 -1.284 25451 2712 1 6 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.952 -0.415 25451 2713 1 6 . 1 1 30 30 GLU C C 30 178.030 178.030 178.968 -0.938 25451 2714 1 6 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.741 0.874 25451 2715 1 6 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.489 0.033 25451 2716 1 6 . 1 1 30 30 GLU H H 30 8.689 8.689 8.557 0.132 25451 2717 1 6 . 1 1 31 31 LYS N N 31 119.597 119.597 119.886 -0.289 25451 2718 1 6 . 1 1 31 31 LYS HA H 31 4.036 4.036 3.978 0.058 25451 2719 1 6 . 1 1 31 31 LYS C C 31 179.746 179.746 179.036 0.710 25451 2720 1 6 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.541 0.248 25451 2721 1 6 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.375 0.173 25451 2722 1 6 . 1 1 31 31 LYS H H 31 8.359 8.359 7.890 0.469 25451 2723 1 6 . 1 1 32 32 LEU N N 32 121.147 121.147 121.312 -0.165 25451 2724 1 6 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.106 -0.054 25451 2725 1 6 . 1 1 32 32 LEU C C 32 179.198 179.198 178.684 0.514 25451 2726 1 6 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.510 0.995 25451 2727 1 6 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.772 0.407 25451 2728 1 6 . 1 1 32 32 LEU H H 32 7.610 7.610 7.854 -0.244 25451 2729 1 6 . 1 1 33 33 LEU N N 33 118.120 118.120 118.771 -0.651 25451 2730 1 6 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.791 -0.029 25451 2731 1 6 . 1 1 33 33 LEU C C 33 179.234 179.234 179.046 0.188 25451 2732 1 6 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.675 -0.261 25451 2733 1 6 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.398 1.056 25451 2734 1 6 . 1 1 33 33 LEU H H 33 7.904 7.904 8.690 -0.786 25451 2735 1 6 . 1 1 34 34 HIS N N 34 117.939 117.939 116.987 0.952 25451 2736 1 6 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.348 0.285 25451 2737 1 6 . 1 1 34 34 HIS C C 34 176.879 176.879 177.926 -1.047 25451 2738 1 6 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.010 0.412 25451 2739 1 6 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.926 0.146 25451 2740 1 6 . 1 1 34 34 HIS H H 34 8.876 8.876 8.200 0.676 25451 2741 1 6 . 1 1 35 35 ALA N N 35 118.133 118.133 122.266 -4.133 25451 2742 1 6 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.254 0.031 25451 2743 1 6 . 1 1 35 35 ALA C C 35 178.395 178.395 178.739 -0.344 25451 2744 1 6 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.254 -1.069 25451 2745 1 6 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.846 -0.331 25451 2746 1 6 . 1 1 35 35 ALA H H 35 7.229 7.229 7.945 -0.716 25451 2747 1 6 . 1 1 36 36 ARG N N 36 115.692 115.692 116.871 -1.179 25451 2748 1 6 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.682 -0.240 25451 2749 1 6 . 1 1 36 36 ARG C C 36 175.693 175.693 175.027 0.666 25451 2750 1 6 . 1 1 36 36 ARG CA C 36 54.745 54.745 53.800 0.945 25451 2751 1 6 . 1 1 36 36 ARG CB C 36 32.548 32.548 30.081 2.467 25451 2752 1 6 . 1 1 36 36 ARG H H 36 7.647 7.647 7.854 -0.207 25451 2753 1 6 . 1 1 37 37 THR N N 37 114.964 114.964 110.895 4.069 25451 2754 1 6 . 1 1 37 37 THR HA H 37 4.651 4.651 3.766 0.885 25451 2755 1 6 . 1 1 37 37 THR C C 37 170.636 170.636 173.717 -3.081 25451 2756 1 6 . 1 1 37 37 THR CA C 37 60.523 60.523 63.514 -2.991 25451 2757 1 6 . 1 1 37 37 THR CB C 37 68.870 68.870 67.079 1.790 25451 2758 1 6 . 1 1 37 37 THR H H 37 8.087 8.087 7.811 0.276 25451 2759 1 6 . 1 1 38 38 LYS N N 38 121.835 121.835 122.035 -0.200 25451 2760 1 6 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.167 0.500 25451 2761 1 6 . 1 1 38 38 LYS C C 38 178.139 178.139 175.631 2.508 25451 2762 1 6 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.917 -0.622 25451 2763 1 6 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.349 0.383 25451 2764 1 6 . 1 1 38 38 LYS H H 38 8.299 8.299 7.811 0.488 25451 2765 1 6 . 1 1 39 39 ASP N N 39 128.517 128.517 126.542 1.975 25451 2766 1 6 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.449 0.434 25451 2767 1 6 . 1 1 39 39 ASP C C 39 172.754 172.754 174.887 -2.133 25451 2768 1 6 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.523 -0.420 25451 2769 1 6 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.913 0.074 25451 2770 1 6 . 1 1 39 39 ASP H H 39 8.823 8.823 8.374 0.449 25451 2771 1 6 . 1 1 40 40 ILE N N 40 116.959 116.959 125.385 -8.426 25451 2772 1 6 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.771 0.502 25451 2773 1 6 . 1 1 40 40 ILE C C 40 174.470 174.470 174.661 -0.191 25451 2774 1 6 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.203 -2.165 25451 2775 1 6 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.066 0.654 25451 2776 1 6 . 1 1 40 40 ILE H H 40 7.273 7.273 7.609 -0.336 25451 2777 1 6 . 1 1 41 41 THR N N 41 125.545 125.545 124.748 0.797 25451 2778 1 6 . 1 1 41 41 THR HA H 41 4.260 4.260 4.566 -0.306 25451 2779 1 6 . 1 1 41 41 THR C C 41 171.476 171.476 172.559 -1.083 25451 2780 1 6 . 1 1 41 41 THR CA C 41 61.807 61.807 61.329 0.478 25451 2781 1 6 . 1 1 41 41 THR CB C 41 72.172 72.172 71.515 0.657 25451 2782 1 6 . 1 1 41 41 THR H H 41 8.564 8.564 8.738 -0.174 25451 2783 1 6 . 1 1 42 42 VAL N N 42 126.913 126.913 126.150 0.763 25451 2784 1 6 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.647 -0.404 25451 2785 1 6 . 1 1 42 42 VAL C C 42 174.086 174.086 174.111 -0.025 25451 2786 1 6 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.722 0.526 25451 2787 1 6 . 1 1 42 42 VAL CB C 42 32.824 32.824 34.220 -1.396 25451 2788 1 6 . 1 1 42 42 VAL H H 42 8.271 8.271 8.378 -0.107 25451 2789 1 6 . 1 1 43 43 HIS N N 43 127.392 127.392 129.045 -1.653 25451 2790 1 6 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.787 -0.220 25451 2791 1 6 . 1 1 43 43 HIS C C 43 174.543 174.543 173.993 0.550 25451 2792 1 6 . 1 1 43 43 HIS CA C 43 54.103 54.103 55.056 -0.953 25451 2793 1 6 . 1 1 43 43 HIS CB C 43 31.815 31.815 31.097 0.718 25451 2794 1 6 . 1 1 43 43 HIS H H 43 8.829 8.829 8.953 -0.124 25451 2795 1 6 . 1 1 44 44 TYR N N 44 126.221 126.221 126.480 -0.259 25451 2796 1 6 . 1 1 44 44 TYR HA H 44 5.206 5.206 5.019 0.187 25451 2797 1 6 . 1 1 44 44 TYR C C 44 177.865 177.865 176.902 0.963 25451 2798 1 6 . 1 1 44 44 TYR CA C 44 57.313 57.313 57.576 -0.263 25451 2799 1 6 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.336 -1.486 25451 2800 1 6 . 1 1 44 44 TYR H H 44 8.938 8.938 9.254 -0.316 25451 2801 1 6 . 1 1 45 45 VAL N N 45 120.086 120.086 121.192 -1.106 25451 2802 1 6 . 1 1 45 45 VAL HA H 45 4.351 4.351 4.043 0.308 25451 2803 1 6 . 1 1 45 45 VAL C C 45 176.952 176.952 176.988 -0.036 25451 2804 1 6 . 1 1 45 45 VAL CA C 45 63.917 63.917 65.101 -1.184 25451 2805 1 6 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.495 -0.231 25451 2806 1 6 . 1 1 45 45 VAL H H 45 9.037 9.037 8.188 0.849 25451 2807 1 6 . 1 1 46 46 ASP N N 46 118.427 118.427 120.477 -2.050 25451 2808 1 6 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.587 -0.178 25451 2809 1 6 . 1 1 46 46 ASP C C 46 176.989 176.989 176.913 0.076 25451 2810 1 6 . 1 1 46 46 ASP CA C 46 54.745 54.745 56.299 -1.554 25451 2811 1 6 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.784 -3.925 25451 2812 1 6 . 1 1 46 46 ASP H H 46 10.711 10.711 8.566 2.145 25451 2813 1 6 . 1 1 47 47 LYS N N 47 119.396 119.396 118.169 1.227 25451 2814 1 6 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.477 0.065 25451 2815 1 6 . 1 1 47 47 LYS C C 47 176.350 176.350 176.724 -0.374 25451 2816 1 6 . 1 1 47 47 LYS CA C 47 55.020 55.020 56.068 -1.048 25451 2817 1 6 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.449 -0.809 25451 2818 1 6 . 1 1 47 47 LYS H H 47 7.801 7.801 7.990 -0.189 25451 2819 1 6 . 1 1 48 48 MET N N 48 118.957 118.957 122.166 -3.209 25451 2820 1 6 . 1 1 48 48 MET C C 48 177.500 177.500 177.768 -0.268 25451 2821 1 6 . 1 1 48 48 MET CA C 48 54.928 54.928 55.961 -1.033 25451 2822 1 6 . 1 1 48 48 MET CB C 48 36.492 36.492 33.901 2.591 25451 2823 1 6 . 1 1 48 48 MET H H 48 7.331 7.331 8.107 -0.776 25451 2824 1 6 . 1 1 49 49 SER HA H 49 4.260 4.260 4.221 0.039 25451 2825 1 6 . 1 1 49 49 SER C C 49 176.898 176.898 176.573 0.325 25451 2826 1 6 . 1 1 49 49 SER CA C 49 61.899 61.899 61.603 0.296 25451 2827 1 6 . 1 1 50 50 GLU N N 50 121.350 121.350 121.406 -0.056 25451 2828 1 6 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.282 0.468 25451 2829 1 6 . 1 1 50 50 GLU C C 50 176.971 176.971 178.260 -1.289 25451 2830 1 6 . 1 1 50 50 GLU CA C 50 56.487 56.487 57.264 -0.777 25451 2831 1 6 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.416 -1.178 25451 2832 1 6 . 1 1 50 50 GLU H H 50 10.024 10.024 8.711 1.313 25451 2833 1 6 . 1 1 51 51 GLY N N 51 109.546 109.546 107.491 2.055 25451 2834 1 6 . 1 1 51 51 GLY C C 51 175.602 175.602 175.715 -0.113 25451 2835 1 6 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.401 1.474 25451 2836 1 6 . 1 1 51 51 GLY H H 51 8.124 8.124 8.059 0.065 25451 2837 1 6 . 1 1 52 52 GLU N N 52 120.614 120.614 121.003 -0.389 25451 2838 1 6 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.075 0.127 25451 2839 1 6 . 1 1 52 52 GLU C C 52 180.056 180.056 178.235 1.821 25451 2840 1 6 . 1 1 52 52 GLU CA C 52 59.422 59.422 58.925 0.497 25451 2841 1 6 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.322 -0.351 25451 2842 1 6 . 1 1 52 52 GLU H H 52 8.821 8.821 8.451 0.370 25451 2843 1 6 . 1 1 53 53 GLN N N 53 123.591 123.591 119.672 3.919 25451 2844 1 6 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.084 0.060 25451 2845 1 6 . 1 1 53 53 GLN C C 53 179.600 179.600 178.242 1.358 25451 2846 1 6 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.684 0.373 25451 2847 1 6 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.576 -0.889 25451 2848 1 6 . 1 1 53 53 GLN H H 53 8.117 8.117 7.798 0.319 25451 2849 1 6 . 1 1 54 54 LEU N N 54 120.960 120.960 120.210 0.750 25451 2850 1 6 . 1 1 54 54 LEU HA H 54 4.011 4.011 3.949 0.062 25451 2851 1 6 . 1 1 54 54 LEU C C 54 179.417 179.417 179.037 0.380 25451 2852 1 6 . 1 1 54 54 LEU CA C 54 57.863 57.863 57.201 0.662 25451 2853 1 6 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.850 -0.414 25451 2854 1 6 . 1 1 54 54 LEU H H 54 8.249 8.249 8.039 0.210 25451 2855 1 6 . 1 1 55 55 ARG N N 55 118.038 118.038 119.196 -1.158 25451 2856 1 6 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.918 -0.123 25451 2857 1 6 . 1 1 55 55 ARG C C 55 180.439 180.439 178.872 1.567 25451 2858 1 6 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.912 0.703 25451 2859 1 6 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.946 -0.424 25451 2860 1 6 . 1 1 55 55 ARG H H 55 8.402 8.402 8.361 0.041 25451 2861 1 6 . 1 1 56 56 GLY N N 56 110.675 110.675 105.754 4.921 25451 2862 1 6 . 1 1 56 56 GLY C C 56 176.350 176.350 176.372 -0.022 25451 2863 1 6 . 1 1 56 56 GLY CA C 56 47.224 47.224 46.940 0.284 25451 2864 1 6 . 1 1 56 56 GLY H H 56 8.376 8.376 8.265 0.111 25451 2865 1 6 . 1 1 57 57 GLU N N 57 124.469 124.469 121.650 2.819 25451 2866 1 6 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.214 -0.137 25451 2867 1 6 . 1 1 57 57 GLU C C 57 180.184 180.184 178.841 1.343 25451 2868 1 6 . 1 1 57 57 GLU CA C 57 59.606 59.606 57.913 1.693 25451 2869 1 6 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.421 0.559 25451 2870 1 6 . 1 1 57 57 GLU H H 57 8.146 8.146 7.595 0.551 25451 2871 1 6 . 1 1 58 58 ILE N N 58 121.352 121.352 121.211 0.141 25451 2872 1 6 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.828 -0.141 25451 2873 1 6 . 1 1 58 58 ILE C C 58 178.030 178.030 177.743 0.287 25451 2874 1 6 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.566 0.002 25451 2875 1 6 . 1 1 58 58 ILE CB C 58 38.327 38.327 38.071 0.256 25451 2876 1 6 . 1 1 58 58 ILE H H 58 8.201 8.201 7.784 0.417 25451 2877 1 6 . 1 1 59 59 TYR N N 59 121.934 121.934 119.823 2.111 25451 2878 1 6 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.321 -0.186 25451 2879 1 6 . 1 1 59 59 TYR C C 59 178.322 178.322 178.092 0.230 25451 2880 1 6 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.801 0.190 25451 2881 1 6 . 1 1 59 59 TYR CB C 59 37.960 37.960 39.013 -1.052 25451 2882 1 6 . 1 1 59 59 TYR H H 59 8.256 8.256 8.861 -0.605 25451 2883 1 6 . 1 1 60 60 GLN N N 60 119.694 119.694 117.608 2.086 25451 2884 1 6 . 1 1 60 60 GLN HA H 60 3.679 3.679 4.046 -0.367 25451 2885 1 6 . 1 1 60 60 GLN C C 60 177.336 177.336 176.304 1.032 25451 2886 1 6 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.066 0.714 25451 2887 1 6 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.288 0.225 25451 2888 1 6 . 1 1 60 60 GLN H H 60 8.512 8.512 8.071 0.441 25451 2889 1 6 . 1 1 61 61 ALA N N 61 117.444 117.444 119.763 -2.319 25451 2890 1 6 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.972 -0.003 25451 2891 1 6 . 1 1 61 61 ALA C C 61 179.180 179.180 177.680 1.500 25451 2892 1 6 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.321 0.415 25451 2893 1 6 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.706 0.451 25451 2894 1 6 . 1 1 61 61 ALA H H 61 7.749 7.749 7.484 0.265 25451 2895 1 6 . 1 1 62 62 TYR N N 62 113.265 113.265 114.901 -1.636 25451 2896 1 6 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.455 0.070 25451 2897 1 6 . 1 1 62 62 TYR C C 62 175.036 175.036 175.030 0.006 25451 2898 1 6 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.989 0.324 25451 2899 1 6 . 1 1 62 62 TYR CB C 62 38.969 38.969 38.998 -0.029 25451 2900 1 6 . 1 1 62 62 TYR H H 62 7.801 7.801 7.936 -0.135 25451 2901 1 6 . 1 1 63 63 LYS N N 63 117.584 117.584 116.109 1.475 25451 2902 1 6 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.840 0.664 25451 2903 1 6 . 1 1 63 63 LYS C C 63 173.812 173.812 174.155 -0.343 25451 2904 1 6 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.941 -0.270 25451 2905 1 6 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.148 -0.635 25451 2906 1 6 . 1 1 63 63 LYS H H 63 8.098 8.098 7.640 0.458 25451 2907 1 6 . 1 1 64 64 HIS N N 64 118.618 118.618 115.774 2.844 25451 2908 1 6 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.864 0.092 25451 2909 1 6 . 1 1 64 64 HIS C C 64 175.985 175.985 174.595 1.390 25451 2910 1 6 . 1 1 64 64 HIS CA C 64 55.754 55.754 54.951 0.803 25451 2911 1 6 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.748 1.185 25451 2912 1 6 . 1 1 64 64 HIS H H 64 6.524 6.524 7.245 -0.721 25451 2913 1 6 . 1 1 65 65 GLU N N 65 126.723 126.723 119.881 6.842 25451 2914 1 6 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.554 -0.161 25451 2915 1 6 . 1 1 65 65 GLU C C 65 175.346 175.346 176.139 -0.793 25451 2916 1 6 . 1 1 65 65 GLU CA C 65 56.946 56.946 57.045 -0.099 25451 2917 1 6 . 1 1 65 65 GLU CB C 65 32.273 32.273 30.761 1.512 25451 2918 1 6 . 1 1 65 65 GLU H H 65 9.188 9.188 8.797 0.391 25451 2919 1 6 . 1 1 66 66 THR N N 66 108.043 108.043 112.109 -4.066 25451 2920 1 6 . 1 1 66 66 THR HA H 66 4.393 4.393 4.490 -0.097 25451 2921 1 6 . 1 1 66 66 THR C C 66 174.579 174.579 172.911 1.668 25451 2922 1 6 . 1 1 66 66 THR CA C 66 59.698 59.698 61.413 -1.716 25451 2923 1 6 . 1 1 66 66 THR CB C 66 71.071 71.071 70.704 0.367 25451 2924 1 6 . 1 1 66 66 THR H H 66 6.296 6.296 7.466 -1.170 25451 2925 1 6 . 1 1 67 67 VAL N N 67 112.473 112.473 119.687 -7.214 25451 2926 1 6 . 1 1 67 67 VAL C C 67 173.027 173.027 174.668 -1.641 25451 2927 1 6 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.400 -4.353 25451 2928 1 6 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.031 1.151 25451 2929 1 6 . 1 1 67 67 VAL H H 67 7.688 7.688 8.679 -0.991 25451 2930 1 6 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.514 0.916 25451 2931 1 6 . 1 1 68 68 PRO C C 68 176.405 176.405 175.659 0.746 25451 2932 1 6 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.263 -0.456 25451 2933 1 6 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.275 2.566 25451 2934 1 6 . 1 1 69 69 ALA N N 69 124.309 124.309 122.474 1.835 25451 2935 1 6 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.632 0.176 25451 2936 1 6 . 1 1 69 69 ALA C C 69 175.273 175.273 176.276 -1.003 25451 2937 1 6 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.197 0.154 25451 2938 1 6 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.529 1.196 25451 2939 1 6 . 1 1 69 69 ALA H H 69 8.952 8.952 7.891 1.061 25451 2940 1 6 . 1 1 70 70 ILE N N 70 124.569 124.569 122.700 1.869 25451 2941 1 6 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.860 -0.310 25451 2942 1 6 . 1 1 70 70 ILE C C 70 172.553 172.553 174.034 -1.481 25451 2943 1 6 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.274 1.808 25451 2944 1 6 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.494 -1.425 25451 2945 1 6 . 1 1 70 70 ILE H H 70 8.447 8.447 8.656 -0.209 25451 2946 1 6 . 1 1 71 71 PHE N N 71 127.490 127.490 123.878 3.612 25451 2947 1 6 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.633 -0.410 25451 2948 1 6 . 1 1 71 71 PHE C C 71 174.798 174.798 174.674 0.124 25451 2949 1 6 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.194 -0.073 25451 2950 1 6 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.761 -1.674 25451 2951 1 6 . 1 1 71 71 PHE H H 71 9.219 9.219 9.391 -0.172 25451 2952 1 6 . 1 1 72 72 ILE N N 72 118.614 118.614 121.924 -3.310 25451 2953 1 6 . 1 1 72 72 ILE HA H 72 5.107 5.107 5.038 0.069 25451 2954 1 6 . 1 1 72 72 ILE C C 72 177.518 177.518 176.053 1.465 25451 2955 1 6 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.438 0.085 25451 2956 1 6 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.641 0.346 25451 2957 1 6 . 1 1 72 72 ILE H H 72 8.715 8.715 9.097 -0.382 25451 2958 1 6 . 1 1 73 73 ASN N N 73 129.431 129.431 125.432 3.999 25451 2959 1 6 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.437 0.230 25451 2960 1 6 . 1 1 73 73 ASN C C 73 175.273 175.273 175.732 -0.459 25451 2961 1 6 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.406 0.155 25451 2962 1 6 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.676 0.642 25451 2963 1 6 . 1 1 73 73 ASN H H 73 10.691 10.691 9.387 1.304 25451 2964 1 6 . 1 1 74 74 GLY N N 74 104.235 104.235 102.416 1.819 25451 2965 1 6 . 1 1 74 74 GLY C C 74 172.754 172.754 174.374 -1.620 25451 2966 1 6 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.296 -0.274 25451 2967 1 6 . 1 1 74 74 GLY H H 74 9.529 9.529 8.835 0.694 25451 2968 1 6 . 1 1 75 75 ASN N N 75 119.009 119.009 119.851 -0.842 25451 2969 1 6 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.011 0.087 25451 2970 1 6 . 1 1 75 75 ASN C C 75 174.269 174.269 174.117 0.152 25451 2971 1 6 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.364 -0.738 25451 2972 1 6 . 1 1 75 75 ASN CB C 75 39.978 39.978 39.575 0.403 25451 2973 1 6 . 1 1 75 75 ASN H H 75 8.116 8.116 8.257 -0.141 25451 2974 1 6 . 1 1 76 76 PHE N N 76 124.901 124.901 122.906 1.995 25451 2975 1 6 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.736 -1.082 25451 2976 1 6 . 1 1 76 76 PHE C C 76 175.273 175.273 174.491 0.782 25451 2977 1 6 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.126 1.737 25451 2978 1 6 . 1 1 76 76 PHE CB C 76 38.877 38.877 40.675 -1.798 25451 2979 1 6 . 1 1 76 76 PHE H H 76 9.004 9.004 8.463 0.541 25451 2980 1 6 . 1 1 77 77 ILE N N 77 126.459 126.459 126.329 0.130 25451 2981 1 6 . 1 1 77 77 ILE C C 77 174.506 174.506 172.909 1.597 25451 2982 1 6 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.592 -1.087 25451 2983 1 6 . 1 1 77 77 ILE CB C 77 37.410 37.410 42.364 -4.954 25451 2984 1 6 . 1 1 77 77 ILE H H 77 8.161 8.161 8.275 -0.114 25451 2985 1 6 . 1 1 78 78 GLY C C 78 172.005 172.005 173.077 -1.072 25451 2986 1 6 . 1 1 78 78 GLY CA C 78 43.555 43.555 44.151 -0.596 25451 2987 1 6 . 1 1 79 79 GLY N N 79 109.745 109.745 112.714 -2.969 25451 2988 1 6 . 1 1 79 79 GLY C C 79 174.981 174.981 174.019 0.962 25451 2989 1 6 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.526 -1.063 25451 2990 1 6 . 1 1 79 79 GLY H H 79 9.114 9.114 8.055 1.059 25451 2991 1 6 . 1 1 80 80 CYS N N 80 120.764 120.764 121.670 -0.906 25451 2992 1 6 . 1 1 80 80 CYS C C 80 176.533 176.533 175.877 0.656 25451 2993 1 6 . 1 1 80 80 CYS CA C 80 63.825 63.825 61.690 2.135 25451 2994 1 6 . 1 1 80 80 CYS CB C 80 26.770 26.770 26.657 0.114 25451 2995 1 6 . 1 1 80 80 CYS H H 80 8.571 8.571 8.827 -0.256 25451 2996 1 6 . 1 1 81 81 SER HA H 81 3.903 3.903 4.063 -0.160 25451 2997 1 6 . 1 1 81 81 SER C C 81 177.318 177.318 176.374 0.944 25451 2998 1 6 . 1 1 81 81 SER CA C 81 61.440 61.440 62.860 -1.420 25451 2999 1 6 . 1 1 82 82 ASP N N 82 122.226 122.226 122.148 0.078 25451 3000 1 6 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.420 -0.069 25451 3001 1 6 . 1 1 82 82 ASP C C 82 177.993 177.993 178.095 -0.102 25451 3002 1 6 . 1 1 82 82 ASP CA C 82 57.129 57.129 56.386 0.743 25451 3003 1 6 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.493 1.044 25451 3004 1 6 . 1 1 82 82 ASP H H 82 7.060 7.060 7.806 -0.746 25451 3005 1 6 . 1 1 83 83 LEU N N 83 121.542 121.542 120.997 0.545 25451 3006 1 6 . 1 1 83 83 LEU HA H 83 3.787 3.787 3.948 -0.161 25451 3007 1 6 . 1 1 83 83 LEU C C 83 177.957 177.957 178.301 -0.344 25451 3008 1 6 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.931 -0.068 25451 3009 1 6 . 1 1 83 83 LEU CB C 83 42.087 42.087 41.978 0.109 25451 3010 1 6 . 1 1 83 83 LEU H H 83 7.793 7.793 7.644 0.149 25451 3011 1 6 . 1 1 84 84 GLU N N 84 117.702 117.702 118.939 -1.237 25451 3012 1 6 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.828 -0.008 25451 3013 1 6 . 1 1 84 84 GLU C C 84 179.161 179.161 178.652 0.509 25451 3014 1 6 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.416 0.282 25451 3015 1 6 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.380 0.142 25451 3016 1 6 . 1 1 84 84 GLU H H 84 8.432 8.432 8.590 -0.158 25451 3017 1 6 . 1 1 85 85 ALA N N 85 122.903 122.903 121.699 1.204 25451 3018 1 6 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.105 0.072 25451 3019 1 6 . 1 1 85 85 ALA C C 85 179.892 179.892 179.349 0.543 25451 3020 1 6 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.100 0.195 25451 3021 1 6 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.194 -0.413 25451 3022 1 6 . 1 1 85 85 ALA H H 85 7.890 7.890 7.925 -0.035 25451 3023 1 6 . 1 1 86 86 LEU N N 86 118.087 118.087 119.057 -0.970 25451 3024 1 6 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.967 0.052 25451 3025 1 6 . 1 1 86 86 LEU C C 86 179.764 179.764 178.687 1.077 25451 3026 1 6 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.231 0.449 25451 3027 1 6 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.435 1.386 25451 3028 1 6 . 1 1 86 86 LEU H H 86 7.567 7.567 7.592 -0.025 25451 3029 1 6 . 1 1 87 87 ASP N N 87 119.239 119.239 119.630 -0.391 25451 3030 1 6 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.372 0.129 25451 3031 1 6 . 1 1 87 87 ASP C C 87 179.563 179.563 178.492 1.071 25451 3032 1 6 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.165 -0.311 25451 3033 1 6 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.907 1.089 25451 3034 1 6 . 1 1 87 87 ASP H H 87 7.985 7.985 7.782 0.203 25451 3035 1 6 . 1 1 88 88 LYS N N 88 121.741 121.741 118.582 3.159 25451 3036 1 6 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.127 -0.091 25451 3037 1 6 . 1 1 88 88 LYS C C 88 178.778 178.778 178.753 0.025 25451 3038 1 6 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.122 1.025 25451 3039 1 6 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.546 -0.364 25451 3040 1 6 . 1 1 88 88 LYS H H 88 8.461 8.461 7.941 0.519 25451 3041 1 6 . 1 1 89 89 GLU N N 89 115.496 115.496 116.898 -1.402 25451 3042 1 6 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.239 0.071 25451 3043 1 6 . 1 1 89 89 GLU C C 89 176.806 176.806 177.253 -0.447 25451 3044 1 6 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.742 -0.530 25451 3045 1 6 . 1 1 89 89 GLU CB C 89 30.347 30.347 30.204 0.143 25451 3046 1 6 . 1 1 89 89 GLU H H 89 7.838 7.838 8.232 -0.394 25451 3047 1 6 . 1 1 90 90 GLY N N 90 108.622 108.622 107.576 1.046 25451 3048 1 6 . 1 1 90 90 GLY C C 90 175.985 175.985 174.369 1.616 25451 3049 1 6 . 1 1 90 90 GLY CA C 90 46.215 46.215 45.490 0.725 25451 3050 1 6 . 1 1 90 90 GLY H H 90 7.992 7.992 7.900 0.092 25451 3051 1 6 . 1 1 91 91 LYS N N 91 117.355 117.355 117.223 0.132 25451 3052 1 6 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.520 -0.194 25451 3053 1 6 . 1 1 91 91 LYS C C 91 177.518 177.518 176.086 1.432 25451 3054 1 6 . 1 1 91 91 LYS CA C 91 56.487 56.487 56.181 0.306 25451 3055 1 6 . 1 1 91 91 LYS CB C 91 35.117 35.117 33.889 1.228 25451 3056 1 6 . 1 1 91 91 LYS H H 91 8.047 8.047 7.997 0.050 25451 3057 1 6 . 1 1 92 92 LEU N N 92 121.641 121.641 120.548 1.093 25451 3058 1 6 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.143 -0.190 25451 3059 1 6 . 1 1 92 92 LEU C C 92 177.518 177.518 176.989 0.529 25451 3060 1 6 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.038 0.458 25451 3061 1 6 . 1 1 92 92 LEU CB C 92 41.170 41.170 42.180 -1.010 25451 3062 1 6 . 1 1 92 92 LEU H H 92 7.582 7.582 7.538 0.044 25451 3063 1 6 . 1 1 93 93 ASP N N 93 118.032 118.032 119.494 -1.462 25451 3064 1 6 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.356 -0.138 25451 3065 1 6 . 1 1 93 93 ASP C C 93 179.344 179.344 178.176 1.168 25451 3066 1 6 . 1 1 93 93 ASP CA C 93 57.955 57.955 56.419 1.536 25451 3067 1 6 . 1 1 93 93 ASP CB C 93 39.886 39.886 39.643 0.243 25451 3068 1 6 . 1 1 93 93 ASP H H 93 8.194 8.194 8.585 -0.391 25451 3069 1 6 . 1 1 94 94 GLY N N 94 107.012 107.012 108.370 -1.358 25451 3070 1 6 . 1 1 94 94 GLY C C 94 176.368 176.368 175.935 0.433 25451 3071 1 6 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.219 0.179 25451 3072 1 6 . 1 1 94 94 GLY H H 94 8.271 8.271 8.448 -0.177 25451 3073 1 6 . 1 1 95 95 LEU N N 95 120.472 120.472 120.528 -0.056 25451 3074 1 6 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.190 0.062 25451 3075 1 6 . 1 1 95 95 LEU C C 95 178.285 178.285 178.193 0.092 25451 3076 1 6 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.383 0.104 25451 3077 1 6 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.016 0.713 25451 3078 1 6 . 1 1 95 95 LEU H H 95 7.475 7.475 7.494 -0.019 25451 3079 1 6 . 1 1 96 96 LEU N N 96 116.181 116.181 118.328 -2.147 25451 3080 1 6 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.038 0.222 25451 3081 1 6 . 1 1 96 96 LEU C C 96 176.186 176.186 177.570 -1.384 25451 3082 1 6 . 1 1 96 96 LEU CA C 96 54.561 54.561 55.489 -0.928 25451 3083 1 6 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.414 0.857 25451 3084 1 6 . 1 1 96 96 LEU H H 96 7.394 7.394 7.573 -0.179 25451 3085 1 7 . 1 1 5 5 SER HA H 5 4.492 4.492 4.803 -0.311 25451 3086 1 7 . 1 1 5 5 SER C C 5 176.496 176.496 176.216 0.280 25451 3087 1 7 . 1 1 5 5 SER CA C 5 59.422 59.422 56.547 2.874 25451 3088 1 7 . 1 1 5 5 SER CB C 5 64.100 64.100 65.823 -1.723 25451 3089 1 7 . 1 1 6 6 ILE N N 6 120.626 120.626 120.106 0.520 25451 3090 1 7 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.897 -0.086 25451 3091 1 7 . 1 1 6 6 ILE C C 6 176.952 176.952 177.206 -0.254 25451 3092 1 7 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.943 0.157 25451 3093 1 7 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.279 0.131 25451 3094 1 7 . 1 1 6 6 ILE H H 6 9.168 9.168 8.551 0.617 25451 3095 1 7 . 1 1 7 7 ALA N N 7 122.320 122.320 123.252 -0.932 25451 3096 1 7 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.887 0.007 25451 3097 1 7 . 1 1 7 7 ALA C C 7 179.837 179.837 179.436 0.401 25451 3098 1 7 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.995 0.208 25451 3099 1 7 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.843 0.305 25451 3100 1 7 . 1 1 7 7 ALA H H 7 7.882 7.882 8.080 -0.198 25451 3101 1 7 . 1 1 8 8 SER N N 8 110.329 110.329 113.401 -3.072 25451 3102 1 7 . 1 1 8 8 SER HA H 8 4.227 4.227 4.217 0.010 25451 3103 1 7 . 1 1 8 8 SER C C 8 177.409 177.409 177.107 0.302 25451 3104 1 7 . 1 1 8 8 SER CA C 8 60.156 60.156 61.324 -1.168 25451 3105 1 7 . 1 1 8 8 SER CB C 8 62.908 62.908 63.070 -0.162 25451 3106 1 7 . 1 1 8 8 SER H H 8 7.647 7.647 7.748 -0.101 25451 3107 1 7 . 1 1 9 9 MET N N 9 122.133 122.133 120.284 1.849 25451 3108 1 7 . 1 1 9 9 MET HA H 9 4.127 4.127 4.199 -0.072 25451 3109 1 7 . 1 1 9 9 MET C C 9 180.841 180.841 177.811 3.030 25451 3110 1 7 . 1 1 9 9 MET CA C 9 59.147 59.147 58.784 0.363 25451 3111 1 7 . 1 1 9 9 MET CB C 9 35.025 35.025 32.597 2.428 25451 3112 1 7 . 1 1 9 9 MET H H 9 7.787 7.787 7.800 -0.013 25451 3113 1 7 . 1 1 10 10 ILE N N 10 115.009 115.009 116.489 -1.480 25451 3114 1 7 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.857 -0.095 25451 3115 1 7 . 1 1 10 10 ILE C C 10 174.981 174.981 177.320 -2.339 25451 3116 1 7 . 1 1 10 10 ILE CA C 10 65.293 65.293 62.372 2.921 25451 3117 1 7 . 1 1 10 10 ILE CB C 10 37.776 37.776 36.460 1.316 25451 3118 1 7 . 1 1 10 10 ILE H H 10 8.315 8.315 7.523 0.792 25451 3119 1 7 . 1 1 11 11 LYS N N 11 117.153 117.153 117.933 -0.780 25451 3120 1 7 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.299 0.210 25451 3121 1 7 . 1 1 11 11 LYS C C 11 177.774 177.774 177.914 -0.140 25451 3122 1 7 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.711 -2.232 25451 3123 1 7 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.170 0.103 25451 3124 1 7 . 1 1 11 11 LYS H H 11 6.877 6.877 7.487 -0.610 25451 3125 1 7 . 1 1 12 12 GLY N N 12 106.134 106.134 107.461 -1.327 25451 3126 1 7 . 1 1 12 12 GLY C C 12 172.553 172.553 174.743 -2.190 25451 3127 1 7 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.254 1.052 25451 3128 1 7 . 1 1 12 12 GLY H H 12 7.757 7.757 7.821 -0.064 25451 3129 1 7 . 1 1 13 13 ASN N N 13 115.402 115.402 117.048 -1.646 25451 3130 1 7 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.948 -0.356 25451 3131 1 7 . 1 1 13 13 ASN C C 13 174.068 174.068 174.215 -0.147 25451 3132 1 7 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.155 -1.996 25451 3133 1 7 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.630 -0.735 25451 3134 1 7 . 1 1 13 13 ASN H H 13 7.214 7.214 7.715 -0.501 25451 3135 1 7 . 1 1 14 14 LYS N N 14 122.033 122.033 121.508 0.525 25451 3136 1 7 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.151 -0.082 25451 3137 1 7 . 1 1 14 14 LYS C C 14 176.533 176.533 176.158 0.375 25451 3138 1 7 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.783 1.190 25451 3139 1 7 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.228 -1.688 25451 3140 1 7 . 1 1 14 14 LYS H H 14 8.351 8.351 8.689 -0.338 25451 3141 1 7 . 1 1 15 15 VAL N N 15 117.450 117.450 117.476 -0.026 25451 3142 1 7 . 1 1 15 15 VAL HA H 15 5.024 5.024 4.927 0.097 25451 3143 1 7 . 1 1 15 15 VAL C C 15 174.543 174.543 174.378 0.165 25451 3144 1 7 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.680 -0.340 25451 3145 1 7 . 1 1 15 15 VAL CB C 15 32.732 32.732 34.545 -1.813 25451 3146 1 7 . 1 1 15 15 VAL H H 15 8.021 8.021 7.635 0.386 25451 3147 1 7 . 1 1 16 16 VAL N N 16 128.604 128.604 127.531 1.073 25451 3148 1 7 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.113 -0.222 25451 3149 1 7 . 1 1 16 16 VAL C C 16 173.922 173.922 174.521 -0.599 25451 3150 1 7 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.431 0.918 25451 3151 1 7 . 1 1 16 16 VAL CB C 16 35.208 35.208 34.914 0.294 25451 3152 1 7 . 1 1 16 16 VAL H H 16 8.909 8.909 9.008 -0.099 25451 3153 1 7 . 1 1 17 17 VAL N N 17 126.814 126.814 125.299 1.515 25451 3154 1 7 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.066 -0.051 25451 3155 1 7 . 1 1 17 17 VAL C C 17 173.593 173.593 174.313 -0.720 25451 3156 1 7 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.577 -0.695 25451 3157 1 7 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.842 -0.359 25451 3158 1 7 . 1 1 17 17 VAL H H 17 8.359 8.359 8.850 -0.491 25451 3159 1 7 . 1 1 18 18 PHE N N 18 125.697 125.697 125.707 -0.010 25451 3160 1 7 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.468 -0.054 25451 3161 1 7 . 1 1 18 18 PHE C C 18 175.364 175.364 175.283 0.081 25451 3162 1 7 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.226 0.903 25451 3163 1 7 . 1 1 18 18 PHE CB C 18 39.336 39.336 42.136 -2.800 25451 3164 1 7 . 1 1 18 18 PHE H H 18 9.015 9.015 9.148 -0.133 25451 3165 1 7 . 1 1 19 19 SER N N 19 120.570 120.570 116.497 4.073 25451 3166 1 7 . 1 1 19 19 SER HA H 19 5.215 5.215 4.769 0.446 25451 3167 1 7 . 1 1 19 19 SER C C 19 173.539 173.539 172.257 1.282 25451 3168 1 7 . 1 1 19 19 SER CA C 19 57.863 57.863 57.126 0.737 25451 3169 1 7 . 1 1 19 19 SER CB C 19 69.512 69.512 65.585 3.927 25451 3170 1 7 . 1 1 19 19 SER H H 19 9.137 9.137 8.995 0.142 25451 3171 1 7 . 1 1 20 20 TRP N N 20 122.520 122.520 121.816 0.704 25451 3172 1 7 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.172 0.773 25451 3173 1 7 . 1 1 20 20 TRP C C 20 178.030 178.030 175.431 2.599 25451 3174 1 7 . 1 1 20 20 TRP CA C 20 54.011 54.011 56.020 -2.009 25451 3175 1 7 . 1 1 20 20 TRP CB C 20 33.190 33.190 32.018 1.172 25451 3176 1 7 . 1 1 20 20 TRP H H 20 8.520 8.520 8.740 -0.220 25451 3177 1 7 . 1 1 21 21 VAL N N 21 124.864 124.864 122.052 2.812 25451 3178 1 7 . 1 1 21 21 VAL C C 21 177.208 177.208 175.772 1.436 25451 3179 1 7 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.194 3.190 25451 3180 1 7 . 1 1 21 21 VAL CB C 21 32.273 32.273 32.029 0.244 25451 3181 1 7 . 1 1 21 21 VAL H H 21 9.956 9.956 8.342 1.614 25451 3182 1 7 . 1 1 22 22 THR HA H 22 4.542 4.542 4.769 -0.227 25451 3183 1 7 . 1 1 22 22 THR C C 22 174.269 174.269 173.667 0.602 25451 3184 1 7 . 1 1 22 22 THR CA C 22 60.982 60.982 60.657 0.325 25451 3185 1 7 . 1 1 22 22 THR CB C 22 69.237 69.237 70.238 -1.001 25451 3186 1 7 . 1 1 23 23 CYS N N 23 127.689 127.689 124.697 2.992 25451 3187 1 7 . 1 1 23 23 CYS C C 23 175.054 175.054 174.558 0.496 25451 3188 1 7 . 1 1 23 23 CYS CA C 23 56.396 56.396 56.244 0.152 25451 3189 1 7 . 1 1 23 23 CYS CB C 23 32.273 32.273 29.961 2.312 25451 3190 1 7 . 1 1 23 23 CYS H H 23 7.013 7.013 8.782 -1.769 25451 3191 1 7 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.285 0.016 25451 3192 1 7 . 1 1 24 24 PRO C C 24 180.202 180.202 176.551 3.651 25451 3193 1 7 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.669 -0.202 25451 3194 1 7 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.713 0.469 25451 3195 1 7 . 1 1 25 25 TYR N N 25 126.810 126.810 118.461 8.349 25451 3196 1 7 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.471 -0.161 25451 3197 1 7 . 1 1 25 25 TYR C C 25 178.632 178.632 177.947 0.685 25451 3198 1 7 . 1 1 25 25 TYR CA C 25 61.715 61.715 59.417 2.298 25451 3199 1 7 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.932 -0.156 25451 3200 1 7 . 1 1 25 25 TYR H H 25 9.569 9.569 7.847 1.722 25451 3201 1 7 . 1 1 26 26 CYS N N 26 127.984 127.984 120.184 7.800 25451 3202 1 7 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.184 -0.165 25451 3203 1 7 . 1 1 26 26 CYS C C 26 176.642 176.642 176.953 -0.311 25451 3204 1 7 . 1 1 26 26 CYS CA C 26 64.559 64.559 61.973 2.586 25451 3205 1 7 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.343 1.895 25451 3206 1 7 . 1 1 26 26 CYS H H 26 9.239 9.239 8.253 0.986 25451 3207 1 7 . 1 1 27 27 VAL N N 27 121.054 121.054 120.328 0.726 25451 3208 1 7 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.595 -0.008 25451 3209 1 7 . 1 1 27 27 VAL C C 27 178.614 178.614 177.172 1.442 25451 3210 1 7 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.779 -0.019 25451 3211 1 7 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.769 0.321 25451 3212 1 7 . 1 1 27 27 VAL H H 27 8.402 8.402 7.622 0.780 25451 3213 1 7 . 1 1 28 28 ARG N N 28 119.686 119.686 118.870 0.816 25451 3214 1 7 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.965 -0.004 25451 3215 1 7 . 1 1 28 28 ARG C C 28 178.742 178.742 178.648 0.094 25451 3216 1 7 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.473 0.133 25451 3217 1 7 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.721 0.901 25451 3218 1 7 . 1 1 28 28 ARG H H 28 7.655 7.655 8.352 -0.697 25451 3219 1 7 . 1 1 29 29 ALA N N 29 122.324 122.324 122.651 -0.327 25451 3220 1 7 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.051 -0.040 25451 3221 1 7 . 1 1 29 29 ALA C C 29 178.906 178.906 179.297 -0.391 25451 3222 1 7 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.135 -0.023 25451 3223 1 7 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.385 0.222 25451 3224 1 7 . 1 1 29 29 ALA H H 29 8.175 8.175 7.762 0.413 25451 3225 1 7 . 1 1 30 30 GLU N N 30 117.151 117.151 118.463 -1.312 25451 3226 1 7 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.992 -0.455 25451 3227 1 7 . 1 1 30 30 GLU C C 30 178.030 178.030 179.188 -1.158 25451 3228 1 7 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.417 1.198 25451 3229 1 7 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.501 0.021 25451 3230 1 7 . 1 1 30 30 GLU H H 30 8.689 8.689 8.494 0.195 25451 3231 1 7 . 1 1 31 31 LYS N N 31 119.597 119.597 119.924 -0.327 25451 3232 1 7 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.059 -0.023 25451 3233 1 7 . 1 1 31 31 LYS C C 31 179.746 179.746 178.450 1.296 25451 3234 1 7 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.329 0.460 25451 3235 1 7 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.473 0.075 25451 3236 1 7 . 1 1 31 31 LYS H H 31 8.359 8.359 8.134 0.225 25451 3237 1 7 . 1 1 32 32 LEU N N 32 121.147 121.147 121.320 -0.173 25451 3238 1 7 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.091 -0.039 25451 3239 1 7 . 1 1 32 32 LEU C C 32 179.198 179.198 179.104 0.094 25451 3240 1 7 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.712 0.793 25451 3241 1 7 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.271 0.908 25451 3242 1 7 . 1 1 32 32 LEU H H 32 7.610 7.610 7.619 -0.009 25451 3243 1 7 . 1 1 33 33 LEU N N 33 118.120 118.120 118.091 0.029 25451 3244 1 7 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.771 -0.009 25451 3245 1 7 . 1 1 33 33 LEU C C 33 179.234 179.234 178.977 0.257 25451 3246 1 7 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.624 -0.210 25451 3247 1 7 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.642 0.811 25451 3248 1 7 . 1 1 33 33 LEU H H 33 7.904 7.904 8.733 -0.829 25451 3249 1 7 . 1 1 34 34 HIS N N 34 117.939 117.939 117.076 0.863 25451 3250 1 7 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.372 0.261 25451 3251 1 7 . 1 1 34 34 HIS C C 34 176.879 176.879 177.340 -0.461 25451 3252 1 7 . 1 1 34 34 HIS CA C 34 59.422 59.422 58.733 0.689 25451 3253 1 7 . 1 1 34 34 HIS CB C 34 30.072 30.072 30.124 -0.052 25451 3254 1 7 . 1 1 34 34 HIS H H 34 8.876 8.876 7.793 1.083 25451 3255 1 7 . 1 1 35 35 ALA N N 35 118.133 118.133 121.325 -3.192 25451 3256 1 7 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.247 0.038 25451 3257 1 7 . 1 1 35 35 ALA C C 35 178.395 178.395 178.794 -0.399 25451 3258 1 7 . 1 1 35 35 ALA CA C 35 53.185 53.185 53.919 -0.734 25451 3259 1 7 . 1 1 35 35 ALA CB C 35 18.515 18.515 19.090 -0.575 25451 3260 1 7 . 1 1 35 35 ALA H H 35 7.229 7.229 7.850 -0.621 25451 3261 1 7 . 1 1 36 36 ARG N N 36 115.692 115.692 116.300 -0.608 25451 3262 1 7 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.652 -0.210 25451 3263 1 7 . 1 1 36 36 ARG C C 36 175.693 175.693 175.201 0.492 25451 3264 1 7 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.130 0.615 25451 3265 1 7 . 1 1 36 36 ARG CB C 36 32.548 32.548 30.410 2.138 25451 3266 1 7 . 1 1 36 36 ARG H H 36 7.647 7.647 8.037 -0.390 25451 3267 1 7 . 1 1 37 37 THR N N 37 114.964 114.964 109.818 5.146 25451 3268 1 7 . 1 1 37 37 THR HA H 37 4.651 4.651 3.832 0.819 25451 3269 1 7 . 1 1 37 37 THR C C 37 170.636 170.636 173.774 -3.138 25451 3270 1 7 . 1 1 37 37 THR CA C 37 60.523 60.523 63.578 -3.055 25451 3271 1 7 . 1 1 37 37 THR CB C 37 68.870 68.870 66.768 2.102 25451 3272 1 7 . 1 1 37 37 THR H H 37 8.087 8.087 7.908 0.179 25451 3273 1 7 . 1 1 38 38 LYS N N 38 121.835 121.835 121.966 -0.131 25451 3274 1 7 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.149 0.518 25451 3275 1 7 . 1 1 38 38 LYS C C 38 178.139 178.139 175.767 2.372 25451 3276 1 7 . 1 1 38 38 LYS CA C 38 55.295 55.295 56.053 -0.758 25451 3277 1 7 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.268 0.464 25451 3278 1 7 . 1 1 38 38 LYS H H 38 8.299 8.299 8.183 0.116 25451 3279 1 7 . 1 1 39 39 ASP N N 39 128.517 128.517 126.335 2.182 25451 3280 1 7 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.455 0.428 25451 3281 1 7 . 1 1 39 39 ASP C C 39 172.754 172.754 174.737 -1.983 25451 3282 1 7 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.860 -0.757 25451 3283 1 7 . 1 1 39 39 ASP CB C 39 40.987 40.987 41.208 -0.221 25451 3284 1 7 . 1 1 39 39 ASP H H 39 8.823 8.823 8.419 0.404 25451 3285 1 7 . 1 1 40 40 ILE N N 40 116.959 116.959 124.992 -8.033 25451 3286 1 7 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.886 0.387 25451 3287 1 7 . 1 1 40 40 ILE C C 40 174.470 174.470 174.604 -0.134 25451 3288 1 7 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.218 -2.180 25451 3289 1 7 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.278 0.442 25451 3290 1 7 . 1 1 40 40 ILE H H 40 7.273 7.273 7.709 -0.436 25451 3291 1 7 . 1 1 41 41 THR N N 41 125.545 125.545 124.645 0.900 25451 3292 1 7 . 1 1 41 41 THR HA H 41 4.260 4.260 4.703 -0.443 25451 3293 1 7 . 1 1 41 41 THR C C 41 171.476 171.476 172.337 -0.861 25451 3294 1 7 . 1 1 41 41 THR CA C 41 61.807 61.807 61.493 0.313 25451 3295 1 7 . 1 1 41 41 THR CB C 41 72.172 72.172 70.365 1.807 25451 3296 1 7 . 1 1 41 41 THR H H 41 8.564 8.564 8.716 -0.152 25451 3297 1 7 . 1 1 42 42 VAL N N 42 126.913 126.913 127.055 -0.142 25451 3298 1 7 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.979 -0.736 25451 3299 1 7 . 1 1 42 42 VAL C C 42 174.086 174.086 174.530 -0.444 25451 3300 1 7 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.528 0.720 25451 3301 1 7 . 1 1 42 42 VAL CB C 42 32.824 32.824 33.937 -1.113 25451 3302 1 7 . 1 1 42 42 VAL H H 42 8.271 8.271 8.565 -0.294 25451 3303 1 7 . 1 1 43 43 HIS N N 43 127.392 127.392 129.424 -2.032 25451 3304 1 7 . 1 1 43 43 HIS HA H 43 4.567 4.567 5.012 -0.445 25451 3305 1 7 . 1 1 43 43 HIS C C 43 174.543 174.543 173.479 1.064 25451 3306 1 7 . 1 1 43 43 HIS CA C 43 54.103 54.103 53.762 0.341 25451 3307 1 7 . 1 1 43 43 HIS CB C 43 31.815 31.815 31.106 0.709 25451 3308 1 7 . 1 1 43 43 HIS H H 43 8.829 8.829 9.021 -0.192 25451 3309 1 7 . 1 1 44 44 TYR N N 44 126.221 126.221 128.770 -2.549 25451 3310 1 7 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.870 0.336 25451 3311 1 7 . 1 1 44 44 TYR C C 44 177.865 177.865 176.623 1.242 25451 3312 1 7 . 1 1 44 44 TYR CA C 44 57.313 57.313 57.598 -0.285 25451 3313 1 7 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.277 -1.427 25451 3314 1 7 . 1 1 44 44 TYR H H 44 8.938 8.938 9.346 -0.408 25451 3315 1 7 . 1 1 45 45 VAL N N 45 120.086 120.086 121.042 -0.956 25451 3316 1 7 . 1 1 45 45 VAL HA H 45 4.351 4.351 3.756 0.595 25451 3317 1 7 . 1 1 45 45 VAL C C 45 176.952 176.952 176.497 0.455 25451 3318 1 7 . 1 1 45 45 VAL CA C 45 63.917 63.917 63.745 0.172 25451 3319 1 7 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.247 0.017 25451 3320 1 7 . 1 1 45 45 VAL H H 45 9.037 9.037 8.171 0.866 25451 3321 1 7 . 1 1 46 46 ASP N N 46 118.427 118.427 119.180 -0.753 25451 3322 1 7 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.670 -0.261 25451 3323 1 7 . 1 1 46 46 ASP C C 46 176.989 176.989 177.193 -0.204 25451 3324 1 7 . 1 1 46 46 ASP CA C 46 54.745 54.745 55.029 -0.284 25451 3325 1 7 . 1 1 46 46 ASP CB C 46 36.859 36.859 41.260 -4.401 25451 3326 1 7 . 1 1 46 46 ASP H H 46 10.711 10.711 8.417 2.294 25451 3327 1 7 . 1 1 47 47 LYS N N 47 119.396 119.396 118.421 0.975 25451 3328 1 7 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.299 0.243 25451 3329 1 7 . 1 1 47 47 LYS C C 47 176.350 176.350 176.981 -0.631 25451 3330 1 7 . 1 1 47 47 LYS CA C 47 55.020 55.020 57.312 -2.292 25451 3331 1 7 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.396 -0.756 25451 3332 1 7 . 1 1 47 47 LYS H H 47 7.801 7.801 8.083 -0.282 25451 3333 1 7 . 1 1 48 48 MET N N 48 118.957 118.957 119.487 -0.530 25451 3334 1 7 . 1 1 48 48 MET C C 48 177.500 177.500 176.572 0.928 25451 3335 1 7 . 1 1 48 48 MET CA C 48 54.928 54.928 54.313 0.615 25451 3336 1 7 . 1 1 48 48 MET CB C 48 36.492 36.492 34.674 1.818 25451 3337 1 7 . 1 1 48 48 MET H H 48 7.331 7.331 7.711 -0.380 25451 3338 1 7 . 1 1 49 49 SER HA H 49 4.260 4.260 4.160 0.100 25451 3339 1 7 . 1 1 49 49 SER C C 49 176.898 176.898 176.365 0.533 25451 3340 1 7 . 1 1 49 49 SER CA C 49 61.899 61.899 61.408 0.491 25451 3341 1 7 . 1 1 50 50 GLU N N 50 121.350 121.350 121.904 -0.554 25451 3342 1 7 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.323 0.427 25451 3343 1 7 . 1 1 50 50 GLU C C 50 176.971 176.971 178.693 -1.722 25451 3344 1 7 . 1 1 50 50 GLU CA C 50 56.487 56.487 57.351 -0.864 25451 3345 1 7 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.556 -1.318 25451 3346 1 7 . 1 1 50 50 GLU H H 50 10.024 10.024 7.739 2.285 25451 3347 1 7 . 1 1 51 51 GLY N N 51 109.546 109.546 108.298 1.248 25451 3348 1 7 . 1 1 51 51 GLY C C 51 175.602 175.602 175.905 -0.303 25451 3349 1 7 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.279 1.596 25451 3350 1 7 . 1 1 51 51 GLY H H 51 8.124 8.124 8.292 -0.168 25451 3351 1 7 . 1 1 52 52 GLU N N 52 120.614 120.614 121.309 -0.695 25451 3352 1 7 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.032 0.170 25451 3353 1 7 . 1 1 52 52 GLU C C 52 180.056 180.056 179.284 0.772 25451 3354 1 7 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.574 -0.152 25451 3355 1 7 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.092 -0.121 25451 3356 1 7 . 1 1 52 52 GLU H H 52 8.821 8.821 8.002 0.819 25451 3357 1 7 . 1 1 53 53 GLN N N 53 123.591 123.591 118.349 5.242 25451 3358 1 7 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.067 0.077 25451 3359 1 7 . 1 1 53 53 GLN C C 53 179.600 179.600 178.274 1.326 25451 3360 1 7 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.826 0.230 25451 3361 1 7 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.876 -1.189 25451 3362 1 7 . 1 1 53 53 GLN H H 53 8.117 8.117 8.331 -0.214 25451 3363 1 7 . 1 1 54 54 LEU N N 54 120.960 120.960 119.412 1.548 25451 3364 1 7 . 1 1 54 54 LEU HA H 54 4.011 4.011 4.115 -0.104 25451 3365 1 7 . 1 1 54 54 LEU C C 54 179.417 179.417 178.870 0.547 25451 3366 1 7 . 1 1 54 54 LEU CA C 54 57.863 57.863 56.626 1.237 25451 3367 1 7 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.735 -0.299 25451 3368 1 7 . 1 1 54 54 LEU H H 54 8.249 8.249 7.489 0.760 25451 3369 1 7 . 1 1 55 55 ARG N N 55 118.038 118.038 120.456 -2.418 25451 3370 1 7 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.879 -0.084 25451 3371 1 7 . 1 1 55 55 ARG C C 55 180.439 180.439 178.678 1.761 25451 3372 1 7 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.693 0.922 25451 3373 1 7 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.942 -0.420 25451 3374 1 7 . 1 1 55 55 ARG H H 55 8.402 8.402 8.775 -0.373 25451 3375 1 7 . 1 1 56 56 GLY N N 56 110.675 110.675 107.168 3.507 25451 3376 1 7 . 1 1 56 56 GLY C C 56 176.350 176.350 176.170 0.180 25451 3377 1 7 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.133 0.091 25451 3378 1 7 . 1 1 56 56 GLY H H 56 8.376 8.376 8.000 0.376 25451 3379 1 7 . 1 1 57 57 GLU N N 57 124.469 124.469 121.876 2.593 25451 3380 1 7 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.091 -0.014 25451 3381 1 7 . 1 1 57 57 GLU C C 57 180.184 180.184 179.209 0.975 25451 3382 1 7 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.388 1.218 25451 3383 1 7 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.091 0.889 25451 3384 1 7 . 1 1 57 57 GLU H H 57 8.146 8.146 7.760 0.386 25451 3385 1 7 . 1 1 58 58 ILE N N 58 121.352 121.352 120.700 0.652 25451 3386 1 7 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.813 -0.126 25451 3387 1 7 . 1 1 58 58 ILE C C 58 178.030 178.030 177.505 0.525 25451 3388 1 7 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.361 0.207 25451 3389 1 7 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.880 0.446 25451 3390 1 7 . 1 1 58 58 ILE H H 58 8.201 8.201 7.563 0.638 25451 3391 1 7 . 1 1 59 59 TYR N N 59 121.934 121.934 120.849 1.085 25451 3392 1 7 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.421 -0.286 25451 3393 1 7 . 1 1 59 59 TYR C C 59 178.322 178.322 178.425 -0.103 25451 3394 1 7 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.517 0.474 25451 3395 1 7 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.823 -0.863 25451 3396 1 7 . 1 1 59 59 TYR H H 59 8.256 8.256 7.983 0.273 25451 3397 1 7 . 1 1 60 60 GLN N N 60 119.694 119.694 117.337 2.357 25451 3398 1 7 . 1 1 60 60 GLN HA H 60 3.679 3.679 4.041 -0.362 25451 3399 1 7 . 1 1 60 60 GLN C C 60 177.336 177.336 176.930 0.406 25451 3400 1 7 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.082 0.698 25451 3401 1 7 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.261 0.253 25451 3402 1 7 . 1 1 60 60 GLN H H 60 8.512 8.512 8.404 0.108 25451 3403 1 7 . 1 1 61 61 ALA N N 61 117.444 117.444 119.985 -2.541 25451 3404 1 7 . 1 1 61 61 ALA HA H 61 3.969 3.969 4.009 -0.040 25451 3405 1 7 . 1 1 61 61 ALA C C 61 179.180 179.180 177.995 1.185 25451 3406 1 7 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.453 0.283 25451 3407 1 7 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.871 0.286 25451 3408 1 7 . 1 1 61 61 ALA H H 61 7.749 7.749 7.450 0.299 25451 3409 1 7 . 1 1 62 62 TYR N N 62 113.265 113.265 113.491 -0.226 25451 3410 1 7 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.641 -0.116 25451 3411 1 7 . 1 1 62 62 TYR C C 62 175.036 175.036 175.258 -0.222 25451 3412 1 7 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.933 0.380 25451 3413 1 7 . 1 1 62 62 TYR CB C 62 38.969 38.969 38.834 0.135 25451 3414 1 7 . 1 1 62 62 TYR H H 62 7.801 7.801 7.762 0.039 25451 3415 1 7 . 1 1 63 63 LYS N N 63 117.584 117.584 115.188 2.396 25451 3416 1 7 . 1 1 63 63 LYS HA H 63 3.504 3.504 3.120 0.384 25451 3417 1 7 . 1 1 63 63 LYS C C 63 173.812 173.812 174.741 -0.929 25451 3418 1 7 . 1 1 63 63 LYS CA C 63 56.671 56.671 57.068 -0.397 25451 3419 1 7 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.302 -0.789 25451 3420 1 7 . 1 1 63 63 LYS H H 63 8.098 8.098 7.843 0.255 25451 3421 1 7 . 1 1 64 64 HIS N N 64 118.618 118.618 115.948 2.670 25451 3422 1 7 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.720 0.237 25451 3423 1 7 . 1 1 64 64 HIS C C 64 175.985 175.985 173.794 2.191 25451 3424 1 7 . 1 1 64 64 HIS CA C 64 55.754 55.754 55.234 0.520 25451 3425 1 7 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.913 1.020 25451 3426 1 7 . 1 1 64 64 HIS H H 64 6.524 6.524 7.208 -0.684 25451 3427 1 7 . 1 1 65 65 GLU N N 65 126.723 126.723 119.134 7.589 25451 3428 1 7 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.492 -0.099 25451 3429 1 7 . 1 1 65 65 GLU C C 65 175.346 175.346 176.021 -0.675 25451 3430 1 7 . 1 1 65 65 GLU CA C 65 56.946 56.946 56.437 0.509 25451 3431 1 7 . 1 1 65 65 GLU CB C 65 32.273 32.273 32.160 0.113 25451 3432 1 7 . 1 1 65 65 GLU H H 65 9.188 9.188 8.624 0.564 25451 3433 1 7 . 1 1 66 66 THR N N 66 108.043 108.043 110.398 -2.355 25451 3434 1 7 . 1 1 66 66 THR HA H 66 4.393 4.393 4.660 -0.267 25451 3435 1 7 . 1 1 66 66 THR C C 66 174.579 174.579 173.846 0.733 25451 3436 1 7 . 1 1 66 66 THR CA C 66 59.698 59.698 60.768 -1.070 25451 3437 1 7 . 1 1 66 66 THR CB C 66 71.071 71.071 71.690 -0.619 25451 3438 1 7 . 1 1 66 66 THR H H 66 6.296 6.296 7.812 -1.516 25451 3439 1 7 . 1 1 67 67 VAL N N 67 112.473 112.473 119.514 -7.041 25451 3440 1 7 . 1 1 67 67 VAL C C 67 173.027 173.027 174.624 -1.597 25451 3441 1 7 . 1 1 67 67 VAL CA C 67 58.047 58.047 63.002 -4.955 25451 3442 1 7 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.984 0.198 25451 3443 1 7 . 1 1 67 67 VAL H H 67 7.688 7.688 8.889 -1.201 25451 3444 1 7 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.552 0.878 25451 3445 1 7 . 1 1 68 68 PRO C C 68 176.405 176.405 175.553 0.852 25451 3446 1 7 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.763 -0.956 25451 3447 1 7 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.322 2.519 25451 3448 1 7 . 1 1 69 69 ALA N N 69 124.309 124.309 121.665 2.644 25451 3449 1 7 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.617 0.191 25451 3450 1 7 . 1 1 69 69 ALA C C 69 175.273 175.273 176.437 -1.164 25451 3451 1 7 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.273 0.078 25451 3452 1 7 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.875 0.850 25451 3453 1 7 . 1 1 69 69 ALA H H 69 8.952 8.952 8.291 0.661 25451 3454 1 7 . 1 1 70 70 ILE N N 70 124.569 124.569 121.977 2.592 25451 3455 1 7 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.753 -0.203 25451 3456 1 7 . 1 1 70 70 ILE C C 70 172.553 172.553 174.020 -1.467 25451 3457 1 7 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.272 1.810 25451 3458 1 7 . 1 1 70 70 ILE CB C 70 40.069 40.069 40.932 -0.863 25451 3459 1 7 . 1 1 70 70 ILE H H 70 8.447 8.447 7.607 0.840 25451 3460 1 7 . 1 1 71 71 PHE N N 71 127.490 127.490 124.752 2.738 25451 3461 1 7 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.605 -0.382 25451 3462 1 7 . 1 1 71 71 PHE C C 71 174.798 174.798 174.788 0.010 25451 3463 1 7 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.025 0.096 25451 3464 1 7 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.591 -1.504 25451 3465 1 7 . 1 1 71 71 PHE H H 71 9.219 9.219 9.116 0.103 25451 3466 1 7 . 1 1 72 72 ILE N N 72 118.614 118.614 121.385 -2.771 25451 3467 1 7 . 1 1 72 72 ILE HA H 72 5.107 5.107 4.936 0.171 25451 3468 1 7 . 1 1 72 72 ILE C C 72 177.518 177.518 176.097 1.421 25451 3469 1 7 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.584 -0.061 25451 3470 1 7 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.286 0.701 25451 3471 1 7 . 1 1 72 72 ILE H H 72 8.715 8.715 9.119 -0.404 25451 3472 1 7 . 1 1 73 73 ASN N N 73 129.431 129.431 126.164 3.267 25451 3473 1 7 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.408 0.259 25451 3474 1 7 . 1 1 73 73 ASN C C 73 175.273 175.273 175.515 -0.242 25451 3475 1 7 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.328 0.233 25451 3476 1 7 . 1 1 73 73 ASN CB C 73 37.318 37.318 37.160 0.158 25451 3477 1 7 . 1 1 73 73 ASN H H 73 10.691 10.691 9.013 1.678 25451 3478 1 7 . 1 1 74 74 GLY N N 74 104.235 104.235 102.517 1.718 25451 3479 1 7 . 1 1 74 74 GLY C C 74 172.754 172.754 174.409 -1.655 25451 3480 1 7 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.131 -0.109 25451 3481 1 7 . 1 1 74 74 GLY H H 74 9.529 9.529 8.872 0.657 25451 3482 1 7 . 1 1 75 75 ASN N N 75 119.009 119.009 120.618 -1.609 25451 3483 1 7 . 1 1 75 75 ASN HA H 75 5.098 5.098 4.970 0.128 25451 3484 1 7 . 1 1 75 75 ASN C C 75 174.269 174.269 174.078 0.191 25451 3485 1 7 . 1 1 75 75 ASN CA C 75 51.626 51.626 53.074 -1.448 25451 3486 1 7 . 1 1 75 75 ASN CB C 75 39.978 39.978 39.664 0.314 25451 3487 1 7 . 1 1 75 75 ASN H H 75 8.116 8.116 8.098 0.018 25451 3488 1 7 . 1 1 76 76 PHE N N 76 124.901 124.901 124.089 0.812 25451 3489 1 7 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.714 -1.060 25451 3490 1 7 . 1 1 76 76 PHE C C 76 175.273 175.273 174.896 0.377 25451 3491 1 7 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.415 1.448 25451 3492 1 7 . 1 1 76 76 PHE CB C 76 38.877 38.877 40.107 -1.230 25451 3493 1 7 . 1 1 76 76 PHE H H 76 9.004 9.004 8.634 0.370 25451 3494 1 7 . 1 1 77 77 ILE N N 77 126.459 126.459 126.844 -0.385 25451 3495 1 7 . 1 1 77 77 ILE C C 77 174.506 174.506 173.435 1.071 25451 3496 1 7 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.693 -1.188 25451 3497 1 7 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.381 -3.971 25451 3498 1 7 . 1 1 77 77 ILE H H 77 8.161 8.161 7.940 0.221 25451 3499 1 7 . 1 1 78 78 GLY C C 78 172.005 172.005 173.533 -1.528 25451 3500 1 7 . 1 1 78 78 GLY CA C 78 43.555 43.555 44.000 -0.445 25451 3501 1 7 . 1 1 79 79 GLY N N 79 109.745 109.745 111.731 -1.986 25451 3502 1 7 . 1 1 79 79 GLY C C 79 174.981 174.981 174.597 0.384 25451 3503 1 7 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.472 -1.009 25451 3504 1 7 . 1 1 79 79 GLY H H 79 9.114 9.114 7.851 1.263 25451 3505 1 7 . 1 1 80 80 CYS N N 80 120.764 120.764 121.212 -0.448 25451 3506 1 7 . 1 1 80 80 CYS C C 80 176.533 176.533 176.535 -0.002 25451 3507 1 7 . 1 1 80 80 CYS CA C 80 63.825 63.825 62.746 1.079 25451 3508 1 7 . 1 1 80 80 CYS CB C 80 26.770 26.770 27.602 -0.831 25451 3509 1 7 . 1 1 80 80 CYS H H 80 8.571 8.571 8.594 -0.023 25451 3510 1 7 . 1 1 81 81 SER HA H 81 3.903 3.903 4.338 -0.435 25451 3511 1 7 . 1 1 81 81 SER C C 81 177.318 177.318 176.078 1.240 25451 3512 1 7 . 1 1 81 81 SER CA C 81 61.440 61.440 61.770 -0.330 25451 3513 1 7 . 1 1 82 82 ASP N N 82 122.226 122.226 121.922 0.304 25451 3514 1 7 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.369 -0.018 25451 3515 1 7 . 1 1 82 82 ASP C C 82 177.993 177.993 178.230 -0.237 25451 3516 1 7 . 1 1 82 82 ASP CA C 82 57.129 57.129 57.033 0.096 25451 3517 1 7 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.636 0.901 25451 3518 1 7 . 1 1 82 82 ASP H H 82 7.060 7.060 8.115 -1.055 25451 3519 1 7 . 1 1 83 83 LEU N N 83 121.542 121.542 120.836 0.706 25451 3520 1 7 . 1 1 83 83 LEU HA H 83 3.787 3.787 3.948 -0.161 25451 3521 1 7 . 1 1 83 83 LEU C C 83 177.957 177.957 178.463 -0.506 25451 3522 1 7 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.883 -0.020 25451 3523 1 7 . 1 1 83 83 LEU CB C 83 42.087 42.087 41.958 0.129 25451 3524 1 7 . 1 1 83 83 LEU H H 83 7.793 7.793 7.924 -0.131 25451 3525 1 7 . 1 1 84 84 GLU N N 84 117.702 117.702 118.686 -0.984 25451 3526 1 7 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.887 -0.067 25451 3527 1 7 . 1 1 84 84 GLU C C 84 179.161 179.161 178.855 0.306 25451 3528 1 7 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.427 0.271 25451 3529 1 7 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.340 0.182 25451 3530 1 7 . 1 1 84 84 GLU H H 84 8.432 8.432 8.185 0.247 25451 3531 1 7 . 1 1 85 85 ALA N N 85 122.903 122.903 122.565 0.338 25451 3532 1 7 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.034 0.143 25451 3533 1 7 . 1 1 85 85 ALA C C 85 179.892 179.892 179.304 0.588 25451 3534 1 7 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.131 0.164 25451 3535 1 7 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.357 -0.576 25451 3536 1 7 . 1 1 85 85 ALA H H 85 7.890 7.890 8.042 -0.152 25451 3537 1 7 . 1 1 86 86 LEU N N 86 118.087 118.087 119.226 -1.139 25451 3538 1 7 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.800 0.219 25451 3539 1 7 . 1 1 86 86 LEU C C 86 179.764 179.764 178.441 1.323 25451 3540 1 7 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.812 -0.132 25451 3541 1 7 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.371 1.450 25451 3542 1 7 . 1 1 86 86 LEU H H 86 7.567 7.567 7.857 -0.290 25451 3543 1 7 . 1 1 87 87 ASP N N 87 119.239 119.239 119.115 0.124 25451 3544 1 7 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.353 0.148 25451 3545 1 7 . 1 1 87 87 ASP C C 87 179.563 179.563 179.134 0.429 25451 3546 1 7 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.510 -0.656 25451 3547 1 7 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.931 1.065 25451 3548 1 7 . 1 1 87 87 ASP H H 87 7.985 7.985 7.646 0.339 25451 3549 1 7 . 1 1 88 88 LYS N N 88 121.741 121.741 119.987 1.754 25451 3550 1 7 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.139 -0.103 25451 3551 1 7 . 1 1 88 88 LYS C C 88 178.778 178.778 178.697 0.081 25451 3552 1 7 . 1 1 88 88 LYS CA C 88 59.147 59.147 57.956 1.192 25451 3553 1 7 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.105 0.077 25451 3554 1 7 . 1 1 88 88 LYS H H 88 8.461 8.461 7.929 0.532 25451 3555 1 7 . 1 1 89 89 GLU N N 89 115.496 115.496 116.627 -1.131 25451 3556 1 7 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.350 -0.040 25451 3557 1 7 . 1 1 89 89 GLU C C 89 176.806 176.806 177.274 -0.468 25451 3558 1 7 . 1 1 89 89 GLU CA C 89 56.212 56.212 55.958 0.254 25451 3559 1 7 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.058 1.289 25451 3560 1 7 . 1 1 89 89 GLU H H 89 7.838 7.838 8.018 -0.180 25451 3561 1 7 . 1 1 90 90 GLY N N 90 108.622 108.622 107.863 0.759 25451 3562 1 7 . 1 1 90 90 GLY C C 90 175.985 175.985 175.342 0.643 25451 3563 1 7 . 1 1 90 90 GLY CA C 90 46.215 46.215 46.060 0.155 25451 3564 1 7 . 1 1 90 90 GLY H H 90 7.992 7.992 7.846 0.146 25451 3565 1 7 . 1 1 91 91 LYS N N 91 117.355 117.355 120.121 -2.766 25451 3566 1 7 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.344 -0.018 25451 3567 1 7 . 1 1 91 91 LYS C C 91 177.518 177.518 177.511 0.007 25451 3568 1 7 . 1 1 91 91 LYS CA C 91 56.487 56.487 57.268 -0.781 25451 3569 1 7 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.586 2.531 25451 3570 1 7 . 1 1 91 91 LYS H H 91 8.047 8.047 7.856 0.191 25451 3571 1 7 . 1 1 92 92 LEU N N 92 121.641 121.641 120.498 1.143 25451 3572 1 7 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.170 -0.217 25451 3573 1 7 . 1 1 92 92 LEU C C 92 177.518 177.518 177.361 0.157 25451 3574 1 7 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.095 0.401 25451 3575 1 7 . 1 1 92 92 LEU CB C 92 41.170 41.170 42.044 -0.874 25451 3576 1 7 . 1 1 92 92 LEU H H 92 7.582 7.582 7.577 0.005 25451 3577 1 7 . 1 1 93 93 ASP N N 93 118.032 118.032 119.507 -1.475 25451 3578 1 7 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.323 -0.105 25451 3579 1 7 . 1 1 93 93 ASP C C 93 179.344 179.344 178.138 1.206 25451 3580 1 7 . 1 1 93 93 ASP CA C 93 57.955 57.955 57.790 0.165 25451 3581 1 7 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.466 -0.580 25451 3582 1 7 . 1 1 93 93 ASP H H 93 8.194 8.194 8.445 -0.251 25451 3583 1 7 . 1 1 94 94 GLY N N 94 107.012 107.012 107.455 -0.443 25451 3584 1 7 . 1 1 94 94 GLY C C 94 176.368 176.368 175.874 0.494 25451 3585 1 7 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.760 -0.362 25451 3586 1 7 . 1 1 94 94 GLY H H 94 8.271 8.271 7.661 0.610 25451 3587 1 7 . 1 1 95 95 LEU N N 95 120.472 120.472 120.643 -0.171 25451 3588 1 7 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.157 0.095 25451 3589 1 7 . 1 1 95 95 LEU C C 95 178.285 178.285 177.747 0.538 25451 3590 1 7 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.295 0.192 25451 3591 1 7 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.139 0.590 25451 3592 1 7 . 1 1 95 95 LEU H H 95 7.475 7.475 7.211 0.264 25451 3593 1 7 . 1 1 96 96 LEU N N 96 116.181 116.181 115.423 0.758 25451 3594 1 7 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.264 -0.004 25451 3595 1 7 . 1 1 96 96 LEU C C 96 176.186 176.186 176.389 -0.203 25451 3596 1 7 . 1 1 96 96 LEU CA C 96 54.561 54.561 54.717 -0.156 25451 3597 1 7 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.685 0.586 25451 3598 1 7 . 1 1 96 96 LEU H H 96 7.394 7.394 7.342 0.052 25451 3599 1 8 . 1 1 5 5 SER HA H 5 4.492 4.492 4.036 0.456 25451 3600 1 8 . 1 1 5 5 SER C C 5 176.496 176.496 176.153 0.343 25451 3601 1 8 . 1 1 5 5 SER CA C 5 59.422 59.422 61.722 -2.300 25451 3602 1 8 . 1 1 5 5 SER CB C 5 64.100 64.100 62.555 1.545 25451 3603 1 8 . 1 1 6 6 ILE N N 6 120.626 120.626 116.580 4.046 25451 3604 1 8 . 1 1 6 6 ILE HA H 6 3.811 3.811 4.089 -0.278 25451 3605 1 8 . 1 1 6 6 ILE C C 6 176.952 176.952 177.441 -0.489 25451 3606 1 8 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.450 0.650 25451 3607 1 8 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.699 -0.289 25451 3608 1 8 . 1 1 6 6 ILE H H 6 9.168 9.168 8.284 0.884 25451 3609 1 8 . 1 1 7 7 ALA N N 7 122.320 122.320 123.871 -1.551 25451 3610 1 8 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.884 0.010 25451 3611 1 8 . 1 1 7 7 ALA C C 7 179.837 179.837 179.472 0.365 25451 3612 1 8 . 1 1 7 7 ALA CA C 7 55.203 55.203 55.038 0.165 25451 3613 1 8 . 1 1 7 7 ALA CB C 7 18.148 18.148 18.378 -0.230 25451 3614 1 8 . 1 1 7 7 ALA H H 7 7.882 7.882 8.426 -0.544 25451 3615 1 8 . 1 1 8 8 SER N N 8 110.329 110.329 114.160 -3.831 25451 3616 1 8 . 1 1 8 8 SER HA H 8 4.227 4.227 4.143 0.084 25451 3617 1 8 . 1 1 8 8 SER C C 8 177.409 177.409 176.321 1.088 25451 3618 1 8 . 1 1 8 8 SER CA C 8 60.156 60.156 61.544 -1.387 25451 3619 1 8 . 1 1 8 8 SER CB C 8 62.908 62.908 62.880 0.028 25451 3620 1 8 . 1 1 8 8 SER H H 8 7.647 7.647 8.443 -0.796 25451 3621 1 8 . 1 1 9 9 MET N N 9 122.133 122.133 119.788 2.345 25451 3622 1 8 . 1 1 9 9 MET HA H 9 4.127 4.127 4.282 -0.155 25451 3623 1 8 . 1 1 9 9 MET C C 9 180.841 180.841 178.860 1.981 25451 3624 1 8 . 1 1 9 9 MET CA C 9 59.147 59.147 58.312 0.835 25451 3625 1 8 . 1 1 9 9 MET CB C 9 35.025 35.025 32.811 2.214 25451 3626 1 8 . 1 1 9 9 MET H H 9 7.787 7.787 7.498 0.289 25451 3627 1 8 . 1 1 10 10 ILE N N 10 115.009 115.009 119.533 -4.524 25451 3628 1 8 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.722 0.040 25451 3629 1 8 . 1 1 10 10 ILE C C 10 174.981 174.981 177.410 -2.429 25451 3630 1 8 . 1 1 10 10 ILE CA C 10 65.293 65.293 64.151 1.142 25451 3631 1 8 . 1 1 10 10 ILE CB C 10 37.776 37.776 37.140 0.636 25451 3632 1 8 . 1 1 10 10 ILE H H 10 8.315 8.315 7.888 0.427 25451 3633 1 8 . 1 1 11 11 LYS N N 11 117.153 117.153 118.197 -1.044 25451 3634 1 8 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.321 0.188 25451 3635 1 8 . 1 1 11 11 LYS C C 11 177.774 177.774 177.919 -0.145 25451 3636 1 8 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.192 -1.713 25451 3637 1 8 . 1 1 11 11 LYS CB C 11 32.273 32.273 31.938 0.335 25451 3638 1 8 . 1 1 11 11 LYS H H 11 6.877 6.877 7.845 -0.968 25451 3639 1 8 . 1 1 12 12 GLY N N 12 106.134 106.134 106.651 -0.517 25451 3640 1 8 . 1 1 12 12 GLY C C 12 172.553 172.553 174.507 -1.954 25451 3641 1 8 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.224 1.082 25451 3642 1 8 . 1 1 12 12 GLY H H 12 7.757 7.757 7.808 -0.051 25451 3643 1 8 . 1 1 13 13 ASN N N 13 115.402 115.402 116.611 -1.209 25451 3644 1 8 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.855 -0.263 25451 3645 1 8 . 1 1 13 13 ASN C C 13 174.068 174.068 174.334 -0.266 25451 3646 1 8 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.389 -2.230 25451 3647 1 8 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.544 -0.649 25451 3648 1 8 . 1 1 13 13 ASN H H 13 7.214 7.214 7.409 -0.195 25451 3649 1 8 . 1 1 14 14 LYS N N 14 122.033 122.033 122.170 -0.137 25451 3650 1 8 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.325 -0.256 25451 3651 1 8 . 1 1 14 14 LYS C C 14 176.533 176.533 176.012 0.521 25451 3652 1 8 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.784 1.189 25451 3653 1 8 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.397 -1.857 25451 3654 1 8 . 1 1 14 14 LYS H H 14 8.351 8.351 8.634 -0.283 25451 3655 1 8 . 1 1 15 15 VAL N N 15 117.450 117.450 117.118 0.332 25451 3656 1 8 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.098 -0.074 25451 3657 1 8 . 1 1 15 15 VAL C C 15 174.543 174.543 174.298 0.245 25451 3658 1 8 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.071 0.269 25451 3659 1 8 . 1 1 15 15 VAL CB C 15 32.732 32.732 34.989 -2.257 25451 3660 1 8 . 1 1 15 15 VAL H H 15 8.021 8.021 8.142 -0.121 25451 3661 1 8 . 1 1 16 16 VAL N N 16 128.604 128.604 126.692 1.912 25451 3662 1 8 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.052 -0.161 25451 3663 1 8 . 1 1 16 16 VAL C C 16 173.922 173.922 174.436 -0.514 25451 3664 1 8 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.368 0.981 25451 3665 1 8 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.391 -0.183 25451 3666 1 8 . 1 1 16 16 VAL H H 16 8.909 8.909 9.044 -0.135 25451 3667 1 8 . 1 1 17 17 VAL N N 17 126.814 126.814 125.808 1.006 25451 3668 1 8 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.124 -0.109 25451 3669 1 8 . 1 1 17 17 VAL C C 17 173.593 173.593 174.583 -0.990 25451 3670 1 8 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.729 -0.848 25451 3671 1 8 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.804 -0.321 25451 3672 1 8 . 1 1 17 17 VAL H H 17 8.359 8.359 8.783 -0.424 25451 3673 1 8 . 1 1 18 18 PHE N N 18 125.697 125.697 125.067 0.630 25451 3674 1 8 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.472 -0.058 25451 3675 1 8 . 1 1 18 18 PHE C C 18 175.364 175.364 175.278 0.086 25451 3676 1 8 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.679 0.450 25451 3677 1 8 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.676 -2.340 25451 3678 1 8 . 1 1 18 18 PHE H H 18 9.015 9.015 9.364 -0.349 25451 3679 1 8 . 1 1 19 19 SER N N 19 120.570 120.570 115.955 4.615 25451 3680 1 8 . 1 1 19 19 SER HA H 19 5.215 5.215 4.840 0.375 25451 3681 1 8 . 1 1 19 19 SER C C 19 173.539 173.539 172.482 1.057 25451 3682 1 8 . 1 1 19 19 SER CA C 19 57.863 57.863 57.462 0.401 25451 3683 1 8 . 1 1 19 19 SER CB C 19 69.512 69.512 66.625 2.887 25451 3684 1 8 . 1 1 19 19 SER H H 19 9.137 9.137 9.421 -0.284 25451 3685 1 8 . 1 1 20 20 TRP N N 20 122.520 122.520 121.488 1.032 25451 3686 1 8 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.077 0.868 25451 3687 1 8 . 1 1 20 20 TRP C C 20 178.030 178.030 174.983 3.047 25451 3688 1 8 . 1 1 20 20 TRP CA C 20 54.011 54.011 55.386 -1.375 25451 3689 1 8 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.282 1.908 25451 3690 1 8 . 1 1 20 20 TRP H H 20 8.520 8.520 8.670 -0.150 25451 3691 1 8 . 1 1 21 21 VAL N N 21 124.864 124.864 118.549 6.315 25451 3692 1 8 . 1 1 21 21 VAL C C 21 177.208 177.208 176.439 0.769 25451 3693 1 8 . 1 1 21 21 VAL CA C 21 65.384 65.384 61.376 4.008 25451 3694 1 8 . 1 1 21 21 VAL CB C 21 32.273 32.273 31.853 0.420 25451 3695 1 8 . 1 1 21 21 VAL H H 21 9.956 9.956 7.815 2.141 25451 3696 1 8 . 1 1 22 22 THR HA H 22 4.542 4.542 4.437 0.105 25451 3697 1 8 . 1 1 22 22 THR C C 22 174.269 174.269 173.358 0.911 25451 3698 1 8 . 1 1 22 22 THR CA C 22 60.982 60.982 61.322 -0.340 25451 3699 1 8 . 1 1 22 22 THR CB C 22 69.237 69.237 70.062 -0.825 25451 3700 1 8 . 1 1 23 23 CYS N N 23 127.689 127.689 125.557 2.132 25451 3701 1 8 . 1 1 23 23 CYS C C 23 175.054 175.054 173.883 1.171 25451 3702 1 8 . 1 1 23 23 CYS CA C 23 56.396 56.396 55.714 0.682 25451 3703 1 8 . 1 1 23 23 CYS CB C 23 32.273 32.273 30.567 1.706 25451 3704 1 8 . 1 1 23 23 CYS H H 23 7.013 7.013 8.572 -1.559 25451 3705 1 8 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.347 -0.046 25451 3706 1 8 . 1 1 24 24 PRO C C 24 180.202 180.202 176.914 3.288 25451 3707 1 8 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.680 -0.213 25451 3708 1 8 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.668 0.514 25451 3709 1 8 . 1 1 25 25 TYR N N 25 126.810 126.810 117.022 9.788 25451 3710 1 8 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.362 -0.052 25451 3711 1 8 . 1 1 25 25 TYR C C 25 178.632 178.632 177.613 1.019 25451 3712 1 8 . 1 1 25 25 TYR CA C 25 61.715 61.715 61.239 0.476 25451 3713 1 8 . 1 1 25 25 TYR CB C 25 37.776 37.776 38.051 -0.275 25451 3714 1 8 . 1 1 25 25 TYR H H 25 9.569 9.569 7.514 2.055 25451 3715 1 8 . 1 1 26 26 CYS N N 26 127.984 127.984 120.230 7.754 25451 3716 1 8 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.205 -0.186 25451 3717 1 8 . 1 1 26 26 CYS C C 26 176.642 176.642 176.733 -0.091 25451 3718 1 8 . 1 1 26 26 CYS CA C 26 64.559 64.559 62.303 2.256 25451 3719 1 8 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.299 1.939 25451 3720 1 8 . 1 1 26 26 CYS H H 26 9.239 9.239 8.030 1.209 25451 3721 1 8 . 1 1 27 27 VAL N N 27 121.054 121.054 120.534 0.520 25451 3722 1 8 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.685 -0.098 25451 3723 1 8 . 1 1 27 27 VAL C C 27 178.614 178.614 176.862 1.752 25451 3724 1 8 . 1 1 27 27 VAL CA C 27 66.760 66.760 67.039 -0.279 25451 3725 1 8 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.963 0.127 25451 3726 1 8 . 1 1 27 27 VAL H H 27 8.402 8.402 7.984 0.418 25451 3727 1 8 . 1 1 28 28 ARG N N 28 119.686 119.686 119.076 0.610 25451 3728 1 8 . 1 1 28 28 ARG HA H 28 3.961 3.961 4.092 -0.131 25451 3729 1 8 . 1 1 28 28 ARG C C 28 178.742 178.742 178.289 0.453 25451 3730 1 8 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.059 0.547 25451 3731 1 8 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.446 1.176 25451 3732 1 8 . 1 1 28 28 ARG H H 28 7.655 7.655 8.076 -0.421 25451 3733 1 8 . 1 1 29 29 ALA N N 29 122.324 122.324 123.251 -0.927 25451 3734 1 8 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.109 -0.098 25451 3735 1 8 . 1 1 29 29 ALA C C 29 178.906 178.906 179.642 -0.736 25451 3736 1 8 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.006 0.106 25451 3737 1 8 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.103 0.504 25451 3738 1 8 . 1 1 29 29 ALA H H 29 8.175 8.175 8.436 -0.261 25451 3739 1 8 . 1 1 30 30 GLU N N 30 117.151 117.151 118.612 -1.461 25451 3740 1 8 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.927 -0.390 25451 3741 1 8 . 1 1 30 30 GLU C C 30 178.030 178.030 179.121 -1.091 25451 3742 1 8 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.759 0.856 25451 3743 1 8 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.536 -0.014 25451 3744 1 8 . 1 1 30 30 GLU H H 30 8.689 8.689 8.541 0.148 25451 3745 1 8 . 1 1 31 31 LYS N N 31 119.597 119.597 119.909 -0.312 25451 3746 1 8 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.089 -0.053 25451 3747 1 8 . 1 1 31 31 LYS C C 31 179.746 179.746 179.164 0.582 25451 3748 1 8 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.487 0.302 25451 3749 1 8 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.580 -0.032 25451 3750 1 8 . 1 1 31 31 LYS H H 31 8.359 8.359 8.028 0.331 25451 3751 1 8 . 1 1 32 32 LEU N N 32 121.147 121.147 120.862 0.285 25451 3752 1 8 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.134 -0.082 25451 3753 1 8 . 1 1 32 32 LEU C C 32 179.198 179.198 179.055 0.143 25451 3754 1 8 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.342 1.163 25451 3755 1 8 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.685 0.494 25451 3756 1 8 . 1 1 32 32 LEU H H 32 7.610 7.610 7.700 -0.090 25451 3757 1 8 . 1 1 33 33 LEU N N 33 118.120 118.120 120.241 -2.121 25451 3758 1 8 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.700 0.062 25451 3759 1 8 . 1 1 33 33 LEU C C 33 179.234 179.234 178.889 0.345 25451 3760 1 8 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.658 -0.244 25451 3761 1 8 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.282 1.172 25451 3762 1 8 . 1 1 33 33 LEU H H 33 7.904 7.904 8.768 -0.864 25451 3763 1 8 . 1 1 34 34 HIS N N 34 117.939 117.939 117.240 0.699 25451 3764 1 8 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.360 0.273 25451 3765 1 8 . 1 1 34 34 HIS C C 34 176.879 176.879 178.120 -1.241 25451 3766 1 8 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.755 -0.333 25451 3767 1 8 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.824 0.248 25451 3768 1 8 . 1 1 34 34 HIS H H 34 8.876 8.876 7.993 0.883 25451 3769 1 8 . 1 1 35 35 ALA N N 35 118.133 118.133 122.517 -4.384 25451 3770 1 8 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.196 0.089 25451 3771 1 8 . 1 1 35 35 ALA C C 35 178.395 178.395 178.714 -0.319 25451 3772 1 8 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.404 -1.219 25451 3773 1 8 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.805 -0.290 25451 3774 1 8 . 1 1 35 35 ALA H H 35 7.229 7.229 7.922 -0.693 25451 3775 1 8 . 1 1 36 36 ARG N N 36 115.692 115.692 116.648 -0.956 25451 3776 1 8 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.536 -0.094 25451 3777 1 8 . 1 1 36 36 ARG C C 36 175.693 175.693 175.399 0.294 25451 3778 1 8 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.767 -0.022 25451 3779 1 8 . 1 1 36 36 ARG CB C 36 32.548 32.548 30.759 1.789 25451 3780 1 8 . 1 1 36 36 ARG H H 36 7.647 7.647 7.556 0.091 25451 3781 1 8 . 1 1 37 37 THR N N 37 114.964 114.964 111.152 3.812 25451 3782 1 8 . 1 1 37 37 THR HA H 37 4.651 4.651 3.882 0.769 25451 3783 1 8 . 1 1 37 37 THR C C 37 170.636 170.636 173.879 -3.243 25451 3784 1 8 . 1 1 37 37 THR CA C 37 60.523 60.523 63.561 -3.038 25451 3785 1 8 . 1 1 37 37 THR CB C 37 68.870 68.870 66.346 2.524 25451 3786 1 8 . 1 1 37 37 THR H H 37 8.087 8.087 7.621 0.466 25451 3787 1 8 . 1 1 38 38 LYS N N 38 121.835 121.835 122.172 -0.337 25451 3788 1 8 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.063 0.604 25451 3789 1 8 . 1 1 38 38 LYS C C 38 178.139 178.139 175.196 2.943 25451 3790 1 8 . 1 1 38 38 LYS CA C 38 55.295 55.295 56.574 -1.279 25451 3791 1 8 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.274 0.458 25451 3792 1 8 . 1 1 38 38 LYS H H 38 8.299 8.299 8.111 0.188 25451 3793 1 8 . 1 1 39 39 ASP N N 39 128.517 128.517 126.302 2.215 25451 3794 1 8 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.474 0.409 25451 3795 1 8 . 1 1 39 39 ASP C C 39 172.754 172.754 174.615 -1.861 25451 3796 1 8 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.477 -0.374 25451 3797 1 8 . 1 1 39 39 ASP CB C 39 40.987 40.987 41.598 -0.611 25451 3798 1 8 . 1 1 39 39 ASP H H 39 8.823 8.823 8.280 0.543 25451 3799 1 8 . 1 1 40 40 ILE N N 40 116.959 116.959 125.006 -8.047 25451 3800 1 8 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.983 0.290 25451 3801 1 8 . 1 1 40 40 ILE C C 40 174.470 174.470 174.860 -0.390 25451 3802 1 8 . 1 1 40 40 ILE CA C 40 57.038 57.038 58.938 -1.900 25451 3803 1 8 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.308 0.412 25451 3804 1 8 . 1 1 40 40 ILE H H 40 7.273 7.273 8.033 -0.760 25451 3805 1 8 . 1 1 41 41 THR N N 41 125.545 125.545 123.401 2.144 25451 3806 1 8 . 1 1 41 41 THR HA H 41 4.260 4.260 4.457 -0.197 25451 3807 1 8 . 1 1 41 41 THR C C 41 171.476 171.476 171.728 -0.252 25451 3808 1 8 . 1 1 41 41 THR CA C 41 61.807 61.807 61.103 0.704 25451 3809 1 8 . 1 1 41 41 THR CB C 41 72.172 72.172 70.586 1.586 25451 3810 1 8 . 1 1 41 41 THR H H 41 8.564 8.564 8.401 0.163 25451 3811 1 8 . 1 1 42 42 VAL N N 42 126.913 126.913 126.669 0.244 25451 3812 1 8 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.684 -0.441 25451 3813 1 8 . 1 1 42 42 VAL C C 42 174.086 174.086 173.717 0.369 25451 3814 1 8 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.042 1.206 25451 3815 1 8 . 1 1 42 42 VAL CB C 42 32.824 32.824 34.487 -1.663 25451 3816 1 8 . 1 1 42 42 VAL H H 42 8.271 8.271 8.111 0.160 25451 3817 1 8 . 1 1 43 43 HIS N N 43 127.392 127.392 126.918 0.474 25451 3818 1 8 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.672 -0.105 25451 3819 1 8 . 1 1 43 43 HIS C C 43 174.543 174.543 173.909 0.634 25451 3820 1 8 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.314 -0.211 25451 3821 1 8 . 1 1 43 43 HIS CB C 43 31.815 31.815 32.331 -0.516 25451 3822 1 8 . 1 1 43 43 HIS H H 43 8.829 8.829 8.672 0.157 25451 3823 1 8 . 1 1 44 44 TYR N N 44 126.221 126.221 124.298 1.923 25451 3824 1 8 . 1 1 44 44 TYR HA H 44 5.206 5.206 5.342 -0.136 25451 3825 1 8 . 1 1 44 44 TYR C C 44 177.865 177.865 176.847 1.018 25451 3826 1 8 . 1 1 44 44 TYR CA C 44 57.313 57.313 55.158 2.155 25451 3827 1 8 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.453 -1.603 25451 3828 1 8 . 1 1 44 44 TYR H H 44 8.938 8.938 8.957 -0.019 25451 3829 1 8 . 1 1 45 45 VAL N N 45 120.086 120.086 121.214 -1.128 25451 3830 1 8 . 1 1 45 45 VAL HA H 45 4.351 4.351 4.053 0.298 25451 3831 1 8 . 1 1 45 45 VAL C C 45 176.952 176.952 177.233 -0.281 25451 3832 1 8 . 1 1 45 45 VAL CA C 45 63.917 63.917 65.068 -1.151 25451 3833 1 8 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.644 -0.380 25451 3834 1 8 . 1 1 45 45 VAL H H 45 9.037 9.037 8.174 0.863 25451 3835 1 8 . 1 1 46 46 ASP N N 46 118.427 118.427 120.526 -2.099 25451 3836 1 8 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.501 -0.092 25451 3837 1 8 . 1 1 46 46 ASP C C 46 176.989 176.989 177.178 -0.189 25451 3838 1 8 . 1 1 46 46 ASP CA C 46 54.745 54.745 56.452 -1.707 25451 3839 1 8 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.915 -4.056 25451 3840 1 8 . 1 1 46 46 ASP H H 46 10.711 10.711 8.681 2.030 25451 3841 1 8 . 1 1 47 47 LYS N N 47 119.396 119.396 116.761 2.635 25451 3842 1 8 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.504 0.038 25451 3843 1 8 . 1 1 47 47 LYS C C 47 176.350 176.350 177.151 -0.801 25451 3844 1 8 . 1 1 47 47 LYS CA C 47 55.020 55.020 56.316 -1.296 25451 3845 1 8 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.807 -1.167 25451 3846 1 8 . 1 1 47 47 LYS H H 47 7.801 7.801 7.883 -0.082 25451 3847 1 8 . 1 1 48 48 MET N N 48 118.957 118.957 121.216 -2.259 25451 3848 1 8 . 1 1 48 48 MET C C 48 177.500 177.500 177.933 -0.433 25451 3849 1 8 . 1 1 48 48 MET CA C 48 54.928 54.928 55.809 -0.881 25451 3850 1 8 . 1 1 48 48 MET CB C 48 36.492 36.492 33.369 3.123 25451 3851 1 8 . 1 1 48 48 MET H H 48 7.331 7.331 7.948 -0.617 25451 3852 1 8 . 1 1 49 49 SER HA H 49 4.260 4.260 4.176 0.084 25451 3853 1 8 . 1 1 49 49 SER C C 49 176.898 176.898 176.199 0.699 25451 3854 1 8 . 1 1 49 49 SER CA C 49 61.899 61.899 61.399 0.500 25451 3855 1 8 . 1 1 50 50 GLU N N 50 121.350 121.350 119.763 1.587 25451 3856 1 8 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.274 0.476 25451 3857 1 8 . 1 1 50 50 GLU C C 50 176.971 176.971 178.456 -1.485 25451 3858 1 8 . 1 1 50 50 GLU CA C 50 56.487 56.487 57.344 -0.857 25451 3859 1 8 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.040 -0.801 25451 3860 1 8 . 1 1 50 50 GLU H H 50 10.024 10.024 8.743 1.281 25451 3861 1 8 . 1 1 51 51 GLY N N 51 109.546 109.546 108.152 1.394 25451 3862 1 8 . 1 1 51 51 GLY C C 51 175.602 175.602 175.799 -0.197 25451 3863 1 8 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.052 1.823 25451 3864 1 8 . 1 1 51 51 GLY H H 51 8.124 8.124 8.021 0.103 25451 3865 1 8 . 1 1 52 52 GLU N N 52 120.614 120.614 120.884 -0.270 25451 3866 1 8 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.121 0.081 25451 3867 1 8 . 1 1 52 52 GLU C C 52 180.056 180.056 178.354 1.702 25451 3868 1 8 . 1 1 52 52 GLU CA C 52 59.422 59.422 58.985 0.437 25451 3869 1 8 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.569 -0.598 25451 3870 1 8 . 1 1 52 52 GLU H H 52 8.821 8.821 8.011 0.809 25451 3871 1 8 . 1 1 53 53 GLN N N 53 123.591 123.591 119.977 3.614 25451 3872 1 8 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.110 0.034 25451 3873 1 8 . 1 1 53 53 GLN C C 53 179.600 179.600 178.591 1.009 25451 3874 1 8 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.804 0.252 25451 3875 1 8 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.646 -0.959 25451 3876 1 8 . 1 1 53 53 GLN H H 53 8.117 8.117 7.760 0.357 25451 3877 1 8 . 1 1 54 54 LEU N N 54 120.960 120.960 120.171 0.789 25451 3878 1 8 . 1 1 54 54 LEU HA H 54 4.011 4.011 3.992 0.019 25451 3879 1 8 . 1 1 54 54 LEU C C 54 179.417 179.417 179.103 0.314 25451 3880 1 8 . 1 1 54 54 LEU CA C 54 57.863 57.863 57.087 0.776 25451 3881 1 8 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.835 -0.399 25451 3882 1 8 . 1 1 54 54 LEU H H 54 8.249 8.249 8.058 0.191 25451 3883 1 8 . 1 1 55 55 ARG N N 55 118.038 118.038 119.391 -1.353 25451 3884 1 8 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.924 -0.129 25451 3885 1 8 . 1 1 55 55 ARG C C 55 180.439 180.439 179.055 1.384 25451 3886 1 8 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.907 0.708 25451 3887 1 8 . 1 1 55 55 ARG CB C 55 29.522 29.522 30.021 -0.499 25451 3888 1 8 . 1 1 55 55 ARG H H 55 8.402 8.402 8.309 0.093 25451 3889 1 8 . 1 1 56 56 GLY N N 56 110.675 110.675 107.058 3.617 25451 3890 1 8 . 1 1 56 56 GLY C C 56 176.350 176.350 176.188 0.162 25451 3891 1 8 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.150 0.074 25451 3892 1 8 . 1 1 56 56 GLY H H 56 8.376 8.376 8.340 0.036 25451 3893 1 8 . 1 1 57 57 GLU N N 57 124.469 124.469 121.851 2.618 25451 3894 1 8 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.081 -0.004 25451 3895 1 8 . 1 1 57 57 GLU C C 57 180.184 180.184 179.300 0.884 25451 3896 1 8 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.492 1.114 25451 3897 1 8 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.086 0.894 25451 3898 1 8 . 1 1 57 57 GLU H H 57 8.146 8.146 7.715 0.431 25451 3899 1 8 . 1 1 58 58 ILE N N 58 121.352 121.352 120.717 0.635 25451 3900 1 8 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.803 -0.116 25451 3901 1 8 . 1 1 58 58 ILE C C 58 178.030 178.030 177.545 0.485 25451 3902 1 8 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.249 0.319 25451 3903 1 8 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.913 0.414 25451 3904 1 8 . 1 1 58 58 ILE H H 58 8.201 8.201 7.432 0.769 25451 3905 1 8 . 1 1 59 59 TYR N N 59 121.934 121.934 121.169 0.765 25451 3906 1 8 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.317 -0.182 25451 3907 1 8 . 1 1 59 59 TYR C C 59 178.322 178.322 178.380 -0.058 25451 3908 1 8 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.618 0.373 25451 3909 1 8 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.858 -0.898 25451 3910 1 8 . 1 1 59 59 TYR H H 59 8.256 8.256 8.563 -0.307 25451 3911 1 8 . 1 1 60 60 GLN N N 60 119.694 119.694 117.255 2.439 25451 3912 1 8 . 1 1 60 60 GLN HA H 60 3.679 3.679 3.957 -0.278 25451 3913 1 8 . 1 1 60 60 GLN C C 60 177.336 177.336 178.133 -0.797 25451 3914 1 8 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.729 0.051 25451 3915 1 8 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.090 0.423 25451 3916 1 8 . 1 1 60 60 GLN H H 60 8.512 8.512 8.557 -0.045 25451 3917 1 8 . 1 1 61 61 ALA N N 61 117.444 117.444 121.440 -3.996 25451 3918 1 8 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.967 0.002 25451 3919 1 8 . 1 1 61 61 ALA C C 61 179.180 179.180 179.329 -0.149 25451 3920 1 8 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.966 -0.230 25451 3921 1 8 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.431 0.726 25451 3922 1 8 . 1 1 61 61 ALA H H 61 7.749 7.749 7.564 0.185 25451 3923 1 8 . 1 1 62 62 TYR N N 62 113.265 113.265 113.978 -0.713 25451 3924 1 8 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.521 0.003 25451 3925 1 8 . 1 1 62 62 TYR C C 62 175.036 175.036 175.056 -0.020 25451 3926 1 8 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.098 1.215 25451 3927 1 8 . 1 1 62 62 TYR CB C 62 38.969 38.969 38.949 0.020 25451 3928 1 8 . 1 1 62 62 TYR H H 62 7.801 7.801 7.930 -0.129 25451 3929 1 8 . 1 1 63 63 LYS N N 63 117.584 117.584 115.910 1.674 25451 3930 1 8 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.902 0.602 25451 3931 1 8 . 1 1 63 63 LYS C C 63 173.812 173.812 174.113 -0.301 25451 3932 1 8 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.803 -0.132 25451 3933 1 8 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.231 -0.718 25451 3934 1 8 . 1 1 63 63 LYS H H 63 8.098 8.098 7.647 0.451 25451 3935 1 8 . 1 1 64 64 HIS N N 64 118.618 118.618 114.821 3.797 25451 3936 1 8 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.635 0.322 25451 3937 1 8 . 1 1 64 64 HIS C C 64 175.985 175.985 173.906 2.079 25451 3938 1 8 . 1 1 64 64 HIS CA C 64 55.754 55.754 55.340 0.414 25451 3939 1 8 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.730 1.204 25451 3940 1 8 . 1 1 64 64 HIS H H 64 6.524 6.524 7.133 -0.609 25451 3941 1 8 . 1 1 65 65 GLU N N 65 126.723 126.723 118.855 7.868 25451 3942 1 8 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.586 -0.193 25451 3943 1 8 . 1 1 65 65 GLU C C 65 175.346 175.346 175.962 -0.616 25451 3944 1 8 . 1 1 65 65 GLU CA C 65 56.946 56.946 56.642 0.304 25451 3945 1 8 . 1 1 65 65 GLU CB C 65 32.273 32.273 32.507 -0.234 25451 3946 1 8 . 1 1 65 65 GLU H H 65 9.188 9.188 8.724 0.464 25451 3947 1 8 . 1 1 66 66 THR N N 66 108.043 108.043 108.904 -0.861 25451 3948 1 8 . 1 1 66 66 THR HA H 66 4.393 4.393 4.616 -0.223 25451 3949 1 8 . 1 1 66 66 THR C C 66 174.579 174.579 173.642 0.937 25451 3950 1 8 . 1 1 66 66 THR CA C 66 59.698 59.698 60.544 -0.846 25451 3951 1 8 . 1 1 66 66 THR CB C 66 71.071 71.071 71.026 0.045 25451 3952 1 8 . 1 1 66 66 THR H H 66 6.296 6.296 7.551 -1.255 25451 3953 1 8 . 1 1 67 67 VAL N N 67 112.473 112.473 115.673 -3.200 25451 3954 1 8 . 1 1 67 67 VAL C C 67 173.027 173.027 174.388 -1.361 25451 3955 1 8 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.411 -4.364 25451 3956 1 8 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.096 1.086 25451 3957 1 8 . 1 1 67 67 VAL H H 67 7.688 7.688 8.568 -0.880 25451 3958 1 8 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.289 1.141 25451 3959 1 8 . 1 1 68 68 PRO C C 68 176.405 176.405 175.513 0.892 25451 3960 1 8 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.765 -0.958 25451 3961 1 8 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.205 2.636 25451 3962 1 8 . 1 1 69 69 ALA N N 69 124.309 124.309 121.529 2.780 25451 3963 1 8 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.679 0.129 25451 3964 1 8 . 1 1 69 69 ALA C C 69 175.273 175.273 176.474 -1.201 25451 3965 1 8 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.424 -0.073 25451 3966 1 8 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.753 0.972 25451 3967 1 8 . 1 1 69 69 ALA H H 69 8.952 8.952 8.210 0.742 25451 3968 1 8 . 1 1 70 70 ILE N N 70 124.569 124.569 122.077 2.492 25451 3969 1 8 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.909 -0.359 25451 3970 1 8 . 1 1 70 70 ILE C C 70 172.553 172.553 174.222 -1.669 25451 3971 1 8 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.341 1.741 25451 3972 1 8 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.374 -1.305 25451 3973 1 8 . 1 1 70 70 ILE H H 70 8.447 8.447 7.975 0.472 25451 3974 1 8 . 1 1 71 71 PHE N N 71 127.490 127.490 123.968 3.522 25451 3975 1 8 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.563 -0.340 25451 3976 1 8 . 1 1 71 71 PHE C C 71 174.798 174.798 174.763 0.035 25451 3977 1 8 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.105 0.016 25451 3978 1 8 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.789 -1.702 25451 3979 1 8 . 1 1 71 71 PHE H H 71 9.219 9.219 9.335 -0.116 25451 3980 1 8 . 1 1 72 72 ILE N N 72 118.614 118.614 122.006 -3.392 25451 3981 1 8 . 1 1 72 72 ILE HA H 72 5.107 5.107 4.889 0.218 25451 3982 1 8 . 1 1 72 72 ILE C C 72 177.518 177.518 175.973 1.545 25451 3983 1 8 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.480 0.043 25451 3984 1 8 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.438 0.549 25451 3985 1 8 . 1 1 72 72 ILE H H 72 8.715 8.715 9.145 -0.430 25451 3986 1 8 . 1 1 73 73 ASN N N 73 129.431 129.431 125.681 3.750 25451 3987 1 8 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.399 0.268 25451 3988 1 8 . 1 1 73 73 ASN C C 73 175.273 175.273 175.580 -0.307 25451 3989 1 8 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.486 0.075 25451 3990 1 8 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.472 0.846 25451 3991 1 8 . 1 1 73 73 ASN H H 73 10.691 10.691 9.458 1.233 25451 3992 1 8 . 1 1 74 74 GLY N N 74 104.235 104.235 103.300 0.935 25451 3993 1 8 . 1 1 74 74 GLY C C 74 172.754 172.754 174.339 -1.585 25451 3994 1 8 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.491 -0.469 25451 3995 1 8 . 1 1 74 74 GLY H H 74 9.529 9.529 8.608 0.921 25451 3996 1 8 . 1 1 75 75 ASN N N 75 119.009 119.009 119.939 -0.930 25451 3997 1 8 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.111 -0.013 25451 3998 1 8 . 1 1 75 75 ASN C C 75 174.269 174.269 173.981 0.288 25451 3999 1 8 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.506 -0.880 25451 4000 1 8 . 1 1 75 75 ASN CB C 75 39.978 39.978 40.281 -0.303 25451 4001 1 8 . 1 1 75 75 ASN H H 75 8.116 8.116 8.061 0.055 25451 4002 1 8 . 1 1 76 76 PHE N N 76 124.901 124.901 124.304 0.597 25451 4003 1 8 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.290 -0.636 25451 4004 1 8 . 1 1 76 76 PHE C C 76 175.273 175.273 174.369 0.904 25451 4005 1 8 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.913 0.950 25451 4006 1 8 . 1 1 76 76 PHE CB C 76 38.877 38.877 39.404 -0.527 25451 4007 1 8 . 1 1 76 76 PHE H H 76 9.004 9.004 8.490 0.514 25451 4008 1 8 . 1 1 77 77 ILE N N 77 126.459 126.459 126.669 -0.210 25451 4009 1 8 . 1 1 77 77 ILE C C 77 174.506 174.506 172.944 1.562 25451 4010 1 8 . 1 1 77 77 ILE CA C 77 58.505 58.505 58.721 -0.216 25451 4011 1 8 . 1 1 77 77 ILE CB C 77 37.410 37.410 42.145 -4.735 25451 4012 1 8 . 1 1 77 77 ILE H H 77 8.161 8.161 8.123 0.038 25451 4013 1 8 . 1 1 78 78 GLY C C 78 172.005 172.005 173.207 -1.202 25451 4014 1 8 . 1 1 78 78 GLY CA C 78 43.555 43.555 44.006 -0.451 25451 4015 1 8 . 1 1 79 79 GLY N N 79 109.745 109.745 112.267 -2.522 25451 4016 1 8 . 1 1 79 79 GLY C C 79 174.981 174.981 174.528 0.453 25451 4017 1 8 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.442 -0.979 25451 4018 1 8 . 1 1 79 79 GLY H H 79 9.114 9.114 7.855 1.259 25451 4019 1 8 . 1 1 80 80 CYS N N 80 120.764 120.764 120.609 0.155 25451 4020 1 8 . 1 1 80 80 CYS C C 80 176.533 176.533 176.711 -0.178 25451 4021 1 8 . 1 1 80 80 CYS CA C 80 63.825 63.825 63.496 0.329 25451 4022 1 8 . 1 1 80 80 CYS CB C 80 26.770 26.770 27.715 -0.945 25451 4023 1 8 . 1 1 80 80 CYS H H 80 8.571 8.571 8.747 -0.176 25451 4024 1 8 . 1 1 81 81 SER HA H 81 3.903 3.903 4.171 -0.268 25451 4025 1 8 . 1 1 81 81 SER C C 81 177.318 177.318 176.113 1.205 25451 4026 1 8 . 1 1 81 81 SER CA C 81 61.440 61.440 61.435 0.005 25451 4027 1 8 . 1 1 82 82 ASP N N 82 122.226 122.226 122.283 -0.057 25451 4028 1 8 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.452 -0.101 25451 4029 1 8 . 1 1 82 82 ASP C C 82 177.993 177.993 178.011 -0.018 25451 4030 1 8 . 1 1 82 82 ASP CA C 82 57.129 57.129 56.534 0.595 25451 4031 1 8 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.751 0.786 25451 4032 1 8 . 1 1 82 82 ASP H H 82 7.060 7.060 7.241 -0.181 25451 4033 1 8 . 1 1 83 83 LEU N N 83 121.542 121.542 121.001 0.541 25451 4034 1 8 . 1 1 83 83 LEU HA H 83 3.787 3.787 3.984 -0.197 25451 4035 1 8 . 1 1 83 83 LEU C C 83 177.957 177.957 178.432 -0.475 25451 4036 1 8 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.982 -0.119 25451 4037 1 8 . 1 1 83 83 LEU CB C 83 42.087 42.087 41.983 0.104 25451 4038 1 8 . 1 1 83 83 LEU H H 83 7.793 7.793 7.954 -0.161 25451 4039 1 8 . 1 1 84 84 GLU N N 84 117.702 117.702 118.718 -1.016 25451 4040 1 8 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.882 -0.062 25451 4041 1 8 . 1 1 84 84 GLU C C 84 179.161 179.161 178.674 0.487 25451 4042 1 8 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.555 0.143 25451 4043 1 8 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.300 0.222 25451 4044 1 8 . 1 1 84 84 GLU H H 84 8.432 8.432 8.565 -0.133 25451 4045 1 8 . 1 1 85 85 ALA N N 85 122.903 122.903 122.290 0.613 25451 4046 1 8 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.092 0.085 25451 4047 1 8 . 1 1 85 85 ALA C C 85 179.892 179.892 179.611 0.281 25451 4048 1 8 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.011 0.284 25451 4049 1 8 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.120 -0.339 25451 4050 1 8 . 1 1 85 85 ALA H H 85 7.890 7.890 7.546 0.344 25451 4051 1 8 . 1 1 86 86 LEU N N 86 118.087 118.087 118.800 -0.713 25451 4052 1 8 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.855 0.164 25451 4053 1 8 . 1 1 86 86 LEU C C 86 179.764 179.764 178.525 1.239 25451 4054 1 8 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.666 0.014 25451 4055 1 8 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.371 1.450 25451 4056 1 8 . 1 1 86 86 LEU H H 86 7.567 7.567 7.542 0.025 25451 4057 1 8 . 1 1 87 87 ASP N N 87 119.239 119.239 120.195 -0.956 25451 4058 1 8 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.415 0.086 25451 4059 1 8 . 1 1 87 87 ASP C C 87 179.563 179.563 179.311 0.252 25451 4060 1 8 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.265 -0.411 25451 4061 1 8 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.784 1.212 25451 4062 1 8 . 1 1 87 87 ASP H H 87 7.985 7.985 7.597 0.388 25451 4063 1 8 . 1 1 88 88 LYS N N 88 121.741 121.741 119.887 1.854 25451 4064 1 8 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.142 -0.106 25451 4065 1 8 . 1 1 88 88 LYS C C 88 178.778 178.778 178.776 0.002 25451 4066 1 8 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.270 0.877 25451 4067 1 8 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.574 -0.392 25451 4068 1 8 . 1 1 88 88 LYS H H 88 8.461 8.461 8.159 0.302 25451 4069 1 8 . 1 1 89 89 GLU N N 89 115.496 115.496 116.846 -1.350 25451 4070 1 8 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.326 -0.016 25451 4071 1 8 . 1 1 89 89 GLU C C 89 176.806 176.806 177.152 -0.346 25451 4072 1 8 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.302 -0.090 25451 4073 1 8 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.785 0.562 25451 4074 1 8 . 1 1 89 89 GLU H H 89 7.838 7.838 7.962 -0.124 25451 4075 1 8 . 1 1 90 90 GLY N N 90 108.622 108.622 107.958 0.664 25451 4076 1 8 . 1 1 90 90 GLY C C 90 175.985 175.985 175.077 0.908 25451 4077 1 8 . 1 1 90 90 GLY CA C 90 46.215 46.215 45.716 0.499 25451 4078 1 8 . 1 1 90 90 GLY H H 90 7.992 7.992 7.659 0.333 25451 4079 1 8 . 1 1 91 91 LYS N N 91 117.355 117.355 119.214 -1.859 25451 4080 1 8 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.366 -0.040 25451 4081 1 8 . 1 1 91 91 LYS C C 91 177.518 177.518 177.481 0.037 25451 4082 1 8 . 1 1 91 91 LYS CA C 91 56.487 56.487 56.821 -0.334 25451 4083 1 8 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.622 2.495 25451 4084 1 8 . 1 1 91 91 LYS H H 91 8.047 8.047 7.864 0.183 25451 4085 1 8 . 1 1 92 92 LEU N N 92 121.641 121.641 121.008 0.633 25451 4086 1 8 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.062 -0.109 25451 4087 1 8 . 1 1 92 92 LEU C C 92 177.518 177.518 177.430 0.088 25451 4088 1 8 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.882 -0.386 25451 4089 1 8 . 1 1 92 92 LEU CB C 92 41.170 41.170 42.105 -0.935 25451 4090 1 8 . 1 1 92 92 LEU H H 92 7.582 7.582 7.683 -0.101 25451 4091 1 8 . 1 1 93 93 ASP N N 93 118.032 118.032 119.114 -1.082 25451 4092 1 8 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.278 -0.060 25451 4093 1 8 . 1 1 93 93 ASP C C 93 179.344 179.344 178.574 0.770 25451 4094 1 8 . 1 1 93 93 ASP CA C 93 57.955 57.955 59.194 -1.239 25451 4095 1 8 . 1 1 93 93 ASP CB C 93 39.886 39.886 39.940 -0.054 25451 4096 1 8 . 1 1 93 93 ASP H H 93 8.194 8.194 8.722 -0.528 25451 4097 1 8 . 1 1 94 94 GLY N N 94 107.012 107.012 106.557 0.455 25451 4098 1 8 . 1 1 94 94 GLY C C 94 176.368 176.368 176.357 0.011 25451 4099 1 8 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.462 -0.064 25451 4100 1 8 . 1 1 94 94 GLY H H 94 8.271 8.271 8.580 -0.309 25451 4101 1 8 . 1 1 95 95 LEU N N 95 120.472 120.472 120.993 -0.521 25451 4102 1 8 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.111 0.141 25451 4103 1 8 . 1 1 95 95 LEU C C 95 178.285 178.285 177.726 0.559 25451 4104 1 8 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.075 0.412 25451 4105 1 8 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.180 0.549 25451 4106 1 8 . 1 1 95 95 LEU H H 95 7.475 7.475 7.259 0.216 25451 4107 1 8 . 1 1 96 96 LEU N N 96 116.181 116.181 115.322 0.859 25451 4108 1 8 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.220 0.040 25451 4109 1 8 . 1 1 96 96 LEU C C 96 176.186 176.186 176.495 -0.309 25451 4110 1 8 . 1 1 96 96 LEU CA C 96 54.561 54.561 55.409 -0.848 25451 4111 1 8 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.633 0.638 25451 4112 1 8 . 1 1 96 96 LEU H H 96 7.394 7.394 7.832 -0.438 25451 4113 1 9 . 1 1 5 5 SER HA H 5 4.492 4.492 4.702 -0.210 25451 4114 1 9 . 1 1 5 5 SER C C 5 176.496 176.496 175.982 0.514 25451 4115 1 9 . 1 1 5 5 SER CA C 5 59.422 59.422 56.284 3.138 25451 4116 1 9 . 1 1 5 5 SER CB C 5 64.100 64.100 65.263 -1.163 25451 4117 1 9 . 1 1 6 6 ILE N N 6 120.626 120.626 118.861 1.765 25451 4118 1 9 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.975 -0.164 25451 4119 1 9 . 1 1 6 6 ILE C C 6 176.952 176.952 177.234 -0.282 25451 4120 1 9 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.447 0.653 25451 4121 1 9 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.769 -0.359 25451 4122 1 9 . 1 1 6 6 ILE H H 6 9.168 9.168 8.554 0.614 25451 4123 1 9 . 1 1 7 7 ALA N N 7 122.320 122.320 122.679 -0.359 25451 4124 1 9 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.859 0.035 25451 4125 1 9 . 1 1 7 7 ALA C C 7 179.837 179.837 179.734 0.103 25451 4126 1 9 . 1 1 7 7 ALA CA C 7 55.203 55.203 55.178 0.025 25451 4127 1 9 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.940 0.208 25451 4128 1 9 . 1 1 7 7 ALA H H 7 7.882 7.882 7.699 0.183 25451 4129 1 9 . 1 1 8 8 SER N N 8 110.329 110.329 113.638 -3.309 25451 4130 1 9 . 1 1 8 8 SER HA H 8 4.227 4.227 4.166 0.061 25451 4131 1 9 . 1 1 8 8 SER C C 8 177.409 177.409 176.275 1.134 25451 4132 1 9 . 1 1 8 8 SER CA C 8 60.156 60.156 61.042 -0.886 25451 4133 1 9 . 1 1 8 8 SER CB C 8 62.908 62.908 63.098 -0.190 25451 4134 1 9 . 1 1 8 8 SER H H 8 7.647 7.647 7.695 -0.048 25451 4135 1 9 . 1 1 9 9 MET N N 9 122.133 122.133 119.518 2.615 25451 4136 1 9 . 1 1 9 9 MET HA H 9 4.127 4.127 4.223 -0.096 25451 4137 1 9 . 1 1 9 9 MET C C 9 180.841 180.841 177.962 2.879 25451 4138 1 9 . 1 1 9 9 MET CA C 9 59.147 59.147 58.745 0.403 25451 4139 1 9 . 1 1 9 9 MET CB C 9 35.025 35.025 32.971 2.054 25451 4140 1 9 . 1 1 9 9 MET H H 9 7.787 7.787 7.673 0.114 25451 4141 1 9 . 1 1 10 10 ILE N N 10 115.009 115.009 118.001 -2.992 25451 4142 1 9 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.751 0.011 25451 4143 1 9 . 1 1 10 10 ILE C C 10 174.981 174.981 177.728 -2.747 25451 4144 1 9 . 1 1 10 10 ILE CA C 10 65.293 65.293 64.038 1.254 25451 4145 1 9 . 1 1 10 10 ILE CB C 10 37.776 37.776 36.862 0.914 25451 4146 1 9 . 1 1 10 10 ILE H H 10 8.315 8.315 7.976 0.339 25451 4147 1 9 . 1 1 11 11 LYS N N 11 117.153 117.153 118.197 -1.044 25451 4148 1 9 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.289 0.220 25451 4149 1 9 . 1 1 11 11 LYS C C 11 177.774 177.774 177.883 -0.109 25451 4150 1 9 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.510 -2.031 25451 4151 1 9 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.287 -0.014 25451 4152 1 9 . 1 1 11 11 LYS H H 11 6.877 6.877 7.588 -0.711 25451 4153 1 9 . 1 1 12 12 GLY N N 12 106.134 106.134 107.483 -1.349 25451 4154 1 9 . 1 1 12 12 GLY C C 12 172.553 172.553 174.790 -2.237 25451 4155 1 9 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.258 1.048 25451 4156 1 9 . 1 1 12 12 GLY H H 12 7.757 7.757 7.879 -0.122 25451 4157 1 9 . 1 1 13 13 ASN N N 13 115.402 115.402 116.622 -1.220 25451 4158 1 9 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.879 -0.287 25451 4159 1 9 . 1 1 13 13 ASN C C 13 174.068 174.068 174.222 -0.154 25451 4160 1 9 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.159 -2.000 25451 4161 1 9 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.631 -0.736 25451 4162 1 9 . 1 1 13 13 ASN H H 13 7.214 7.214 7.582 -0.368 25451 4163 1 9 . 1 1 14 14 LYS N N 14 122.033 122.033 121.117 0.916 25451 4164 1 9 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.432 -0.363 25451 4165 1 9 . 1 1 14 14 LYS C C 14 176.533 176.533 176.337 0.196 25451 4166 1 9 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.491 1.482 25451 4167 1 9 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.403 -1.863 25451 4168 1 9 . 1 1 14 14 LYS H H 14 8.351 8.351 8.560 -0.209 25451 4169 1 9 . 1 1 15 15 VAL N N 15 117.450 117.450 117.528 -0.078 25451 4170 1 9 . 1 1 15 15 VAL HA H 15 5.024 5.024 4.968 0.056 25451 4171 1 9 . 1 1 15 15 VAL C C 15 174.543 174.543 174.429 0.114 25451 4172 1 9 . 1 1 15 15 VAL CA C 15 60.340 60.340 59.927 0.413 25451 4173 1 9 . 1 1 15 15 VAL CB C 15 32.732 32.732 33.735 -1.003 25451 4174 1 9 . 1 1 15 15 VAL H H 15 8.021 8.021 7.707 0.314 25451 4175 1 9 . 1 1 16 16 VAL N N 16 128.604 128.604 128.044 0.560 25451 4176 1 9 . 1 1 16 16 VAL HA H 16 4.891 4.891 4.954 -0.063 25451 4177 1 9 . 1 1 16 16 VAL C C 16 173.922 173.922 174.574 -0.652 25451 4178 1 9 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.877 0.472 25451 4179 1 9 . 1 1 16 16 VAL CB C 16 35.208 35.208 34.996 0.212 25451 4180 1 9 . 1 1 16 16 VAL H H 16 8.909 8.909 9.064 -0.155 25451 4181 1 9 . 1 1 17 17 VAL N N 17 126.814 126.814 124.978 1.836 25451 4182 1 9 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.047 -0.032 25451 4183 1 9 . 1 1 17 17 VAL C C 17 173.593 173.593 174.369 -0.776 25451 4184 1 9 . 1 1 17 17 VAL CA C 17 59.881 59.881 59.981 -0.100 25451 4185 1 9 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.256 0.227 25451 4186 1 9 . 1 1 17 17 VAL H H 17 8.359 8.359 8.632 -0.273 25451 4187 1 9 . 1 1 18 18 PHE N N 18 125.697 125.697 124.870 0.827 25451 4188 1 9 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.393 0.021 25451 4189 1 9 . 1 1 18 18 PHE C C 18 175.364 175.364 175.058 0.306 25451 4190 1 9 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.408 0.721 25451 4191 1 9 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.674 -2.338 25451 4192 1 9 . 1 1 18 18 PHE H H 18 9.015 9.015 8.960 0.055 25451 4193 1 9 . 1 1 19 19 SER N N 19 120.570 120.570 115.908 4.662 25451 4194 1 9 . 1 1 19 19 SER HA H 19 5.215 5.215 4.569 0.646 25451 4195 1 9 . 1 1 19 19 SER C C 19 173.539 173.539 171.992 1.547 25451 4196 1 9 . 1 1 19 19 SER CA C 19 57.863 57.863 57.071 0.792 25451 4197 1 9 . 1 1 19 19 SER CB C 19 69.512 69.512 65.777 3.735 25451 4198 1 9 . 1 1 19 19 SER H H 19 9.137 9.137 8.987 0.150 25451 4199 1 9 . 1 1 20 20 TRP N N 20 122.520 122.520 120.610 1.910 25451 4200 1 9 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.133 0.812 25451 4201 1 9 . 1 1 20 20 TRP C C 20 178.030 178.030 175.469 2.561 25451 4202 1 9 . 1 1 20 20 TRP CA C 20 54.011 54.011 55.861 -1.851 25451 4203 1 9 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.787 1.403 25451 4204 1 9 . 1 1 20 20 TRP H H 20 8.520 8.520 8.622 -0.102 25451 4205 1 9 . 1 1 21 21 VAL N N 21 124.864 124.864 123.418 1.446 25451 4206 1 9 . 1 1 21 21 VAL C C 21 177.208 177.208 176.928 0.280 25451 4207 1 9 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.863 2.521 25451 4208 1 9 . 1 1 21 21 VAL CB C 21 32.273 32.273 32.276 -0.003 25451 4209 1 9 . 1 1 21 21 VAL H H 21 9.956 9.956 8.336 1.620 25451 4210 1 9 . 1 1 22 22 THR HA H 22 4.542 4.542 4.589 -0.047 25451 4211 1 9 . 1 1 22 22 THR C C 22 174.269 174.269 173.468 0.801 25451 4212 1 9 . 1 1 22 22 THR CA C 22 60.982 60.982 61.980 -0.998 25451 4213 1 9 . 1 1 22 22 THR CB C 22 69.237 69.237 69.481 -0.244 25451 4214 1 9 . 1 1 23 23 CYS N N 23 127.689 127.689 126.704 0.985 25451 4215 1 9 . 1 1 23 23 CYS C C 23 175.054 175.054 174.278 0.776 25451 4216 1 9 . 1 1 23 23 CYS CA C 23 56.396 56.396 55.478 0.918 25451 4217 1 9 . 1 1 23 23 CYS CB C 23 32.273 32.273 29.931 2.342 25451 4218 1 9 . 1 1 23 23 CYS H H 23 7.013 7.013 8.587 -1.574 25451 4219 1 9 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.259 0.042 25451 4220 1 9 . 1 1 24 24 PRO C C 24 180.202 180.202 176.225 3.977 25451 4221 1 9 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.453 0.014 25451 4222 1 9 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.418 0.764 25451 4223 1 9 . 1 1 25 25 TYR N N 25 126.810 126.810 116.612 10.198 25451 4224 1 9 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.480 -0.170 25451 4225 1 9 . 1 1 25 25 TYR C C 25 178.632 178.632 177.860 0.772 25451 4226 1 9 . 1 1 25 25 TYR CA C 25 61.715 61.715 60.113 1.602 25451 4227 1 9 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.341 0.435 25451 4228 1 9 . 1 1 25 25 TYR H H 25 9.569 9.569 7.220 2.349 25451 4229 1 9 . 1 1 26 26 CYS N N 26 127.984 127.984 119.725 8.259 25451 4230 1 9 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.138 -0.119 25451 4231 1 9 . 1 1 26 26 CYS C C 26 176.642 176.642 176.739 -0.097 25451 4232 1 9 . 1 1 26 26 CYS CA C 26 64.559 64.559 62.209 2.350 25451 4233 1 9 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.117 2.120 25451 4234 1 9 . 1 1 26 26 CYS H H 26 9.239 9.239 7.775 1.464 25451 4235 1 9 . 1 1 27 27 VAL N N 27 121.054 121.054 120.450 0.604 25451 4236 1 9 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.615 -0.028 25451 4237 1 9 . 1 1 27 27 VAL C C 27 178.614 178.614 177.077 1.537 25451 4238 1 9 . 1 1 27 27 VAL CA C 27 66.760 66.760 67.005 -0.245 25451 4239 1 9 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.919 0.171 25451 4240 1 9 . 1 1 27 27 VAL H H 27 8.402 8.402 7.998 0.404 25451 4241 1 9 . 1 1 28 28 ARG N N 28 119.686 119.686 118.743 0.943 25451 4242 1 9 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.915 0.046 25451 4243 1 9 . 1 1 28 28 ARG C C 28 178.742 178.742 178.357 0.385 25451 4244 1 9 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.699 -0.093 25451 4245 1 9 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.778 0.844 25451 4246 1 9 . 1 1 28 28 ARG H H 28 7.655 7.655 8.151 -0.496 25451 4247 1 9 . 1 1 29 29 ALA N N 29 122.324 122.324 122.346 -0.022 25451 4248 1 9 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.033 -0.022 25451 4249 1 9 . 1 1 29 29 ALA C C 29 178.906 178.906 179.442 -0.536 25451 4250 1 9 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.118 -0.007 25451 4251 1 9 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.330 0.277 25451 4252 1 9 . 1 1 29 29 ALA H H 29 8.175 8.175 7.851 0.324 25451 4253 1 9 . 1 1 30 30 GLU N N 30 117.151 117.151 118.415 -1.264 25451 4254 1 9 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.984 -0.447 25451 4255 1 9 . 1 1 30 30 GLU C C 30 178.030 178.030 179.261 -1.231 25451 4256 1 9 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.731 0.884 25451 4257 1 9 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.608 -0.086 25451 4258 1 9 . 1 1 30 30 GLU H H 30 8.689 8.689 8.560 0.129 25451 4259 1 9 . 1 1 31 31 LYS N N 31 119.597 119.597 120.200 -0.603 25451 4260 1 9 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.137 -0.101 25451 4261 1 9 . 1 1 31 31 LYS C C 31 179.746 179.746 179.050 0.696 25451 4262 1 9 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.346 0.443 25451 4263 1 9 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.602 -0.054 25451 4264 1 9 . 1 1 31 31 LYS H H 31 8.359 8.359 8.007 0.352 25451 4265 1 9 . 1 1 32 32 LEU N N 32 121.147 121.147 121.502 -0.355 25451 4266 1 9 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.087 -0.035 25451 4267 1 9 . 1 1 32 32 LEU C C 32 179.198 179.198 178.601 0.597 25451 4268 1 9 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.691 0.814 25451 4269 1 9 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.414 0.765 25451 4270 1 9 . 1 1 32 32 LEU H H 32 7.610 7.610 7.664 -0.054 25451 4271 1 9 . 1 1 33 33 LEU N N 33 118.120 118.120 118.143 -0.023 25451 4272 1 9 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.734 0.028 25451 4273 1 9 . 1 1 33 33 LEU C C 33 179.234 179.234 178.762 0.472 25451 4274 1 9 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.384 0.030 25451 4275 1 9 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.539 0.915 25451 4276 1 9 . 1 1 33 33 LEU H H 33 7.904 7.904 8.780 -0.876 25451 4277 1 9 . 1 1 34 34 HIS N N 34 117.939 117.939 116.798 1.141 25451 4278 1 9 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.399 0.234 25451 4279 1 9 . 1 1 34 34 HIS C C 34 176.879 176.879 177.607 -0.728 25451 4280 1 9 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.474 -0.051 25451 4281 1 9 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.944 0.128 25451 4282 1 9 . 1 1 34 34 HIS H H 34 8.876 8.876 7.718 1.158 25451 4283 1 9 . 1 1 35 35 ALA N N 35 118.133 118.133 122.064 -3.931 25451 4284 1 9 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.222 0.063 25451 4285 1 9 . 1 1 35 35 ALA C C 35 178.395 178.395 178.958 -0.563 25451 4286 1 9 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.432 -1.247 25451 4287 1 9 . 1 1 35 35 ALA CB C 35 18.515 18.515 19.057 -0.542 25451 4288 1 9 . 1 1 35 35 ALA H H 35 7.229 7.229 7.927 -0.698 25451 4289 1 9 . 1 1 36 36 ARG N N 36 115.692 115.692 114.577 1.115 25451 4290 1 9 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.576 -0.134 25451 4291 1 9 . 1 1 36 36 ARG C C 36 175.693 175.693 175.597 0.096 25451 4292 1 9 . 1 1 36 36 ARG CA C 36 54.745 54.745 53.940 0.805 25451 4293 1 9 . 1 1 36 36 ARG CB C 36 32.548 32.548 29.577 2.971 25451 4294 1 9 . 1 1 36 36 ARG H H 36 7.647 7.647 8.124 -0.477 25451 4295 1 9 . 1 1 37 37 THR N N 37 114.964 114.964 110.337 4.627 25451 4296 1 9 . 1 1 37 37 THR HA H 37 4.651 4.651 3.871 0.780 25451 4297 1 9 . 1 1 37 37 THR C C 37 170.636 170.636 173.778 -3.142 25451 4298 1 9 . 1 1 37 37 THR CA C 37 60.523 60.523 63.653 -3.130 25451 4299 1 9 . 1 1 37 37 THR CB C 37 68.870 68.870 67.021 1.849 25451 4300 1 9 . 1 1 37 37 THR H H 37 8.087 8.087 7.902 0.185 25451 4301 1 9 . 1 1 38 38 LYS N N 38 121.835 121.835 121.669 0.166 25451 4302 1 9 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.179 0.488 25451 4303 1 9 . 1 1 38 38 LYS C C 38 178.139 178.139 175.624 2.515 25451 4304 1 9 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.352 -0.057 25451 4305 1 9 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.104 0.628 25451 4306 1 9 . 1 1 38 38 LYS H H 38 8.299 8.299 7.846 0.453 25451 4307 1 9 . 1 1 39 39 ASP N N 39 128.517 128.517 126.173 2.344 25451 4308 1 9 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.407 0.476 25451 4309 1 9 . 1 1 39 39 ASP C C 39 172.754 172.754 174.935 -2.181 25451 4310 1 9 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.807 -0.704 25451 4311 1 9 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.940 0.047 25451 4312 1 9 . 1 1 39 39 ASP H H 39 8.823 8.823 8.358 0.465 25451 4313 1 9 . 1 1 40 40 ILE N N 40 116.959 116.959 124.406 -7.447 25451 4314 1 9 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.828 0.445 25451 4315 1 9 . 1 1 40 40 ILE C C 40 174.470 174.470 174.919 -0.449 25451 4316 1 9 . 1 1 40 40 ILE CA C 40 57.038 57.038 58.685 -1.647 25451 4317 1 9 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.846 -0.126 25451 4318 1 9 . 1 1 40 40 ILE H H 40 7.273 7.273 7.673 -0.400 25451 4319 1 9 . 1 1 41 41 THR N N 41 125.545 125.545 123.430 2.115 25451 4320 1 9 . 1 1 41 41 THR HA H 41 4.260 4.260 4.599 -0.339 25451 4321 1 9 . 1 1 41 41 THR C C 41 171.476 171.476 172.083 -0.607 25451 4322 1 9 . 1 1 41 41 THR CA C 41 61.807 61.807 61.110 0.697 25451 4323 1 9 . 1 1 41 41 THR CB C 41 72.172 72.172 70.606 1.566 25451 4324 1 9 . 1 1 41 41 THR H H 41 8.564 8.564 8.499 0.065 25451 4325 1 9 . 1 1 42 42 VAL N N 42 126.913 126.913 126.854 0.059 25451 4326 1 9 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.685 -0.442 25451 4327 1 9 . 1 1 42 42 VAL C C 42 174.086 174.086 174.154 -0.068 25451 4328 1 9 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.625 0.623 25451 4329 1 9 . 1 1 42 42 VAL CB C 42 32.824 32.824 34.047 -1.223 25451 4330 1 9 . 1 1 42 42 VAL H H 42 8.271 8.271 8.237 0.034 25451 4331 1 9 . 1 1 43 43 HIS N N 43 127.392 127.392 128.603 -1.211 25451 4332 1 9 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.932 -0.365 25451 4333 1 9 . 1 1 43 43 HIS C C 43 174.543 174.543 174.086 0.457 25451 4334 1 9 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.109 -0.006 25451 4335 1 9 . 1 1 43 43 HIS CB C 43 31.815 31.815 30.055 1.760 25451 4336 1 9 . 1 1 43 43 HIS H H 43 8.829 8.829 8.907 -0.078 25451 4337 1 9 . 1 1 44 44 TYR N N 44 126.221 126.221 126.585 -0.364 25451 4338 1 9 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.804 0.402 25451 4339 1 9 . 1 1 44 44 TYR C C 44 177.865 177.865 177.485 0.380 25451 4340 1 9 . 1 1 44 44 TYR CA C 44 57.313 57.313 58.409 -1.096 25451 4341 1 9 . 1 1 44 44 TYR CB C 44 35.850 35.850 36.801 -0.951 25451 4342 1 9 . 1 1 44 44 TYR H H 44 8.938 8.938 9.305 -0.367 25451 4343 1 9 . 1 1 45 45 VAL N N 45 120.086 120.086 121.973 -1.887 25451 4344 1 9 . 1 1 45 45 VAL HA H 45 4.351 4.351 3.849 0.502 25451 4345 1 9 . 1 1 45 45 VAL C C 45 176.952 176.952 177.453 -0.501 25451 4346 1 9 . 1 1 45 45 VAL CA C 45 63.917 63.917 65.058 -1.141 25451 4347 1 9 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.760 -0.496 25451 4348 1 9 . 1 1 45 45 VAL H H 45 9.037 9.037 8.086 0.951 25451 4349 1 9 . 1 1 46 46 ASP N N 46 118.427 118.427 119.811 -1.384 25451 4350 1 9 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.465 -0.056 25451 4351 1 9 . 1 1 46 46 ASP C C 46 176.989 176.989 177.409 -0.420 25451 4352 1 9 . 1 1 46 46 ASP CA C 46 54.745 54.745 56.833 -2.088 25451 4353 1 9 . 1 1 46 46 ASP CB C 46 36.859 36.859 41.080 -4.221 25451 4354 1 9 . 1 1 46 46 ASP H H 46 10.711 10.711 8.094 2.617 25451 4355 1 9 . 1 1 47 47 LYS N N 47 119.396 119.396 116.427 2.969 25451 4356 1 9 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.371 0.171 25451 4357 1 9 . 1 1 47 47 LYS C C 47 176.350 176.350 176.354 -0.004 25451 4358 1 9 . 1 1 47 47 LYS CA C 47 55.020 55.020 56.263 -1.243 25451 4359 1 9 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.140 -0.500 25451 4360 1 9 . 1 1 47 47 LYS H H 47 7.801 7.801 8.037 -0.236 25451 4361 1 9 . 1 1 48 48 MET N N 48 118.957 118.957 119.650 -0.693 25451 4362 1 9 . 1 1 48 48 MET C C 48 177.500 177.500 177.567 -0.067 25451 4363 1 9 . 1 1 48 48 MET CA C 48 54.928 54.928 54.860 0.068 25451 4364 1 9 . 1 1 48 48 MET CB C 48 36.492 36.492 34.379 2.113 25451 4365 1 9 . 1 1 48 48 MET H H 48 7.331 7.331 7.522 -0.191 25451 4366 1 9 . 1 1 49 49 SER HA H 49 4.260 4.260 4.183 0.077 25451 4367 1 9 . 1 1 49 49 SER C C 49 176.898 176.898 176.650 0.248 25451 4368 1 9 . 1 1 49 49 SER CA C 49 61.899 61.899 61.097 0.801 25451 4369 1 9 . 1 1 50 50 GLU N N 50 121.350 121.350 121.684 -0.334 25451 4370 1 9 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.301 0.449 25451 4371 1 9 . 1 1 50 50 GLU C C 50 176.971 176.971 178.351 -1.380 25451 4372 1 9 . 1 1 50 50 GLU CA C 50 56.487 56.487 56.962 -0.475 25451 4373 1 9 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.334 -1.096 25451 4374 1 9 . 1 1 50 50 GLU H H 50 10.024 10.024 8.694 1.330 25451 4375 1 9 . 1 1 51 51 GLY N N 51 109.546 109.546 108.184 1.362 25451 4376 1 9 . 1 1 51 51 GLY C C 51 175.602 175.602 175.946 -0.344 25451 4377 1 9 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.155 1.720 25451 4378 1 9 . 1 1 51 51 GLY H H 51 8.124 8.124 7.961 0.163 25451 4379 1 9 . 1 1 52 52 GLU N N 52 120.614 120.614 120.622 -0.008 25451 4380 1 9 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.072 0.130 25451 4381 1 9 . 1 1 52 52 GLU C C 52 180.056 180.056 178.765 1.291 25451 4382 1 9 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.439 -0.017 25451 4383 1 9 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.183 -0.212 25451 4384 1 9 . 1 1 52 52 GLU H H 52 8.821 8.821 8.129 0.692 25451 4385 1 9 . 1 1 53 53 GLN N N 53 123.591 123.591 119.635 3.956 25451 4386 1 9 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.114 0.030 25451 4387 1 9 . 1 1 53 53 GLN C C 53 179.600 179.600 178.585 1.015 25451 4388 1 9 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.714 0.342 25451 4389 1 9 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.667 -0.980 25451 4390 1 9 . 1 1 53 53 GLN H H 53 8.117 8.117 7.921 0.196 25451 4391 1 9 . 1 1 54 54 LEU N N 54 120.960 120.960 120.157 0.803 25451 4392 1 9 . 1 1 54 54 LEU HA H 54 4.011 4.011 3.952 0.059 25451 4393 1 9 . 1 1 54 54 LEU C C 54 179.417 179.417 179.106 0.311 25451 4394 1 9 . 1 1 54 54 LEU CA C 54 57.863 57.863 57.127 0.736 25451 4395 1 9 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.879 -0.443 25451 4396 1 9 . 1 1 54 54 LEU H H 54 8.249 8.249 7.722 0.527 25451 4397 1 9 . 1 1 55 55 ARG N N 55 118.038 118.038 119.268 -1.230 25451 4398 1 9 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.977 -0.182 25451 4399 1 9 . 1 1 55 55 ARG C C 55 180.439 180.439 179.178 1.261 25451 4400 1 9 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.801 0.814 25451 4401 1 9 . 1 1 55 55 ARG CB C 55 29.522 29.522 30.008 -0.486 25451 4402 1 9 . 1 1 55 55 ARG H H 55 8.402 8.402 8.385 0.017 25451 4403 1 9 . 1 1 56 56 GLY N N 56 110.675 110.675 106.945 3.730 25451 4404 1 9 . 1 1 56 56 GLY C C 56 176.350 176.350 176.035 0.315 25451 4405 1 9 . 1 1 56 56 GLY CA C 56 47.224 47.224 46.921 0.303 25451 4406 1 9 . 1 1 56 56 GLY H H 56 8.376 8.376 8.058 0.318 25451 4407 1 9 . 1 1 57 57 GLU N N 57 124.469 124.469 122.092 2.377 25451 4408 1 9 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.131 -0.054 25451 4409 1 9 . 1 1 57 57 GLU C C 57 180.184 180.184 179.190 0.994 25451 4410 1 9 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.897 0.709 25451 4411 1 9 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.423 0.557 25451 4412 1 9 . 1 1 57 57 GLU H H 57 8.146 8.146 7.575 0.571 25451 4413 1 9 . 1 1 58 58 ILE N N 58 121.352 121.352 120.706 0.646 25451 4414 1 9 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.823 -0.136 25451 4415 1 9 . 1 1 58 58 ILE C C 58 178.030 178.030 177.482 0.548 25451 4416 1 9 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.296 0.272 25451 4417 1 9 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.985 0.342 25451 4418 1 9 . 1 1 58 58 ILE H H 58 8.201 8.201 7.561 0.640 25451 4419 1 9 . 1 1 59 59 TYR N N 59 121.934 121.934 121.179 0.755 25451 4420 1 9 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.320 -0.185 25451 4421 1 9 . 1 1 59 59 TYR C C 59 178.322 178.322 178.465 -0.143 25451 4422 1 9 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.894 0.097 25451 4423 1 9 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.919 -0.959 25451 4424 1 9 . 1 1 59 59 TYR H H 59 8.256 8.256 8.453 -0.197 25451 4425 1 9 . 1 1 60 60 GLN N N 60 119.694 119.694 117.450 2.244 25451 4426 1 9 . 1 1 60 60 GLN HA H 60 3.679 3.679 3.918 -0.239 25451 4427 1 9 . 1 1 60 60 GLN C C 60 177.336 177.336 177.626 -0.290 25451 4428 1 9 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.542 0.237 25451 4429 1 9 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.536 -0.023 25451 4430 1 9 . 1 1 60 60 GLN H H 60 8.512 8.512 8.422 0.090 25451 4431 1 9 . 1 1 61 61 ALA N N 61 117.444 117.444 119.944 -2.500 25451 4432 1 9 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.924 0.045 25451 4433 1 9 . 1 1 61 61 ALA C C 61 179.180 179.180 178.216 0.964 25451 4434 1 9 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.562 0.174 25451 4435 1 9 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.381 0.776 25451 4436 1 9 . 1 1 61 61 ALA H H 61 7.749 7.749 7.283 0.466 25451 4437 1 9 . 1 1 62 62 TYR N N 62 113.265 113.265 113.318 -0.053 25451 4438 1 9 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.654 -0.129 25451 4439 1 9 . 1 1 62 62 TYR C C 62 175.036 175.036 175.039 -0.003 25451 4440 1 9 . 1 1 62 62 TYR CA C 62 57.313 57.313 57.208 0.105 25451 4441 1 9 . 1 1 62 62 TYR CB C 62 38.969 38.969 39.154 -0.184 25451 4442 1 9 . 1 1 62 62 TYR H H 62 7.801 7.801 7.553 0.248 25451 4443 1 9 . 1 1 63 63 LYS N N 63 117.584 117.584 115.068 2.516 25451 4444 1 9 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.609 0.895 25451 4445 1 9 . 1 1 63 63 LYS C C 63 173.812 173.812 174.058 -0.246 25451 4446 1 9 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.725 -0.054 25451 4447 1 9 . 1 1 63 63 LYS CB C 63 28.513 28.513 28.934 -0.421 25451 4448 1 9 . 1 1 63 63 LYS H H 63 8.098 8.098 7.746 0.352 25451 4449 1 9 . 1 1 64 64 HIS N N 64 118.618 118.618 115.398 3.220 25451 4450 1 9 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.708 0.249 25451 4451 1 9 . 1 1 64 64 HIS C C 64 175.985 175.985 174.583 1.402 25451 4452 1 9 . 1 1 64 64 HIS CA C 64 55.754 55.754 55.257 0.497 25451 4453 1 9 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.827 1.106 25451 4454 1 9 . 1 1 64 64 HIS H H 64 6.524 6.524 7.338 -0.814 25451 4455 1 9 . 1 1 65 65 GLU N N 65 126.723 126.723 119.191 7.532 25451 4456 1 9 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.559 -0.166 25451 4457 1 9 . 1 1 65 65 GLU C C 65 175.346 175.346 176.483 -1.137 25451 4458 1 9 . 1 1 65 65 GLU CA C 65 56.946 56.946 57.078 -0.132 25451 4459 1 9 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.667 0.606 25451 4460 1 9 . 1 1 65 65 GLU H H 65 9.188 9.188 8.938 0.250 25451 4461 1 9 . 1 1 66 66 THR N N 66 108.043 108.043 113.260 -5.217 25451 4462 1 9 . 1 1 66 66 THR HA H 66 4.393 4.393 4.394 -0.001 25451 4463 1 9 . 1 1 66 66 THR C C 66 174.579 174.579 172.694 1.885 25451 4464 1 9 . 1 1 66 66 THR CA C 66 59.698 59.698 61.866 -2.168 25451 4465 1 9 . 1 1 66 66 THR CB C 66 71.071 71.071 71.041 0.030 25451 4466 1 9 . 1 1 66 66 THR H H 66 6.296 6.296 7.649 -1.353 25451 4467 1 9 . 1 1 67 67 VAL N N 67 112.473 112.473 120.879 -8.406 25451 4468 1 9 . 1 1 67 67 VAL C C 67 173.027 173.027 173.483 -0.456 25451 4469 1 9 . 1 1 67 67 VAL CA C 67 58.047 58.047 61.325 -3.278 25451 4470 1 9 . 1 1 67 67 VAL CB C 67 32.182 32.182 32.699 -0.517 25451 4471 1 9 . 1 1 67 67 VAL H H 67 7.688 7.688 8.677 -0.989 25451 4472 1 9 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.580 0.850 25451 4473 1 9 . 1 1 68 68 PRO C C 68 176.405 176.405 175.573 0.832 25451 4474 1 9 . 1 1 68 68 PRO CA C 68 61.807 61.807 61.884 -0.077 25451 4475 1 9 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.722 2.119 25451 4476 1 9 . 1 1 69 69 ALA N N 69 124.309 124.309 122.209 2.100 25451 4477 1 9 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.635 0.173 25451 4478 1 9 . 1 1 69 69 ALA C C 69 175.273 175.273 176.172 -0.899 25451 4479 1 9 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.467 -0.116 25451 4480 1 9 . 1 1 69 69 ALA CB C 69 21.725 21.725 21.300 0.425 25451 4481 1 9 . 1 1 69 69 ALA H H 69 8.952 8.952 8.168 0.784 25451 4482 1 9 . 1 1 70 70 ILE N N 70 124.569 124.569 121.609 2.960 25451 4483 1 9 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.638 -0.088 25451 4484 1 9 . 1 1 70 70 ILE C C 70 172.553 172.553 174.152 -1.599 25451 4485 1 9 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.310 1.772 25451 4486 1 9 . 1 1 70 70 ILE CB C 70 40.069 40.069 40.633 -0.564 25451 4487 1 9 . 1 1 70 70 ILE H H 70 8.447 8.447 7.723 0.724 25451 4488 1 9 . 1 1 71 71 PHE N N 71 127.490 127.490 124.591 2.899 25451 4489 1 9 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.648 -0.425 25451 4490 1 9 . 1 1 71 71 PHE C C 71 174.798 174.798 174.688 0.110 25451 4491 1 9 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.119 0.002 25451 4492 1 9 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.892 -1.804 25451 4493 1 9 . 1 1 71 71 PHE H H 71 9.219 9.219 9.193 0.026 25451 4494 1 9 . 1 1 72 72 ILE N N 72 118.614 118.614 121.042 -2.428 25451 4495 1 9 . 1 1 72 72 ILE HA H 72 5.107 5.107 5.025 0.082 25451 4496 1 9 . 1 1 72 72 ILE C C 72 177.518 177.518 176.006 1.512 25451 4497 1 9 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.487 0.036 25451 4498 1 9 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.819 0.168 25451 4499 1 9 . 1 1 72 72 ILE H H 72 8.715 8.715 9.111 -0.396 25451 4500 1 9 . 1 1 73 73 ASN N N 73 129.431 129.431 125.903 3.528 25451 4501 1 9 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.405 0.262 25451 4502 1 9 . 1 1 73 73 ASN C C 73 175.273 175.273 175.955 -0.682 25451 4503 1 9 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.434 0.127 25451 4504 1 9 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.547 0.771 25451 4505 1 9 . 1 1 73 73 ASN H H 73 10.691 10.691 9.410 1.281 25451 4506 1 9 . 1 1 74 74 GLY N N 74 104.235 104.235 103.173 1.062 25451 4507 1 9 . 1 1 74 74 GLY C C 74 172.754 172.754 174.349 -1.595 25451 4508 1 9 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.586 -0.564 25451 4509 1 9 . 1 1 74 74 GLY H H 74 9.529 9.529 8.496 1.033 25451 4510 1 9 . 1 1 75 75 ASN N N 75 119.009 119.009 119.745 -0.736 25451 4511 1 9 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.028 0.070 25451 4512 1 9 . 1 1 75 75 ASN C C 75 174.269 174.269 174.059 0.210 25451 4513 1 9 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.827 -1.201 25451 4514 1 9 . 1 1 75 75 ASN CB C 75 39.978 39.978 40.173 -0.195 25451 4515 1 9 . 1 1 75 75 ASN H H 75 8.116 8.116 8.162 -0.046 25451 4516 1 9 . 1 1 76 76 PHE N N 76 124.901 124.901 123.639 1.262 25451 4517 1 9 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.638 -0.984 25451 4518 1 9 . 1 1 76 76 PHE C C 76 175.273 175.273 174.366 0.907 25451 4519 1 9 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.247 1.616 25451 4520 1 9 . 1 1 76 76 PHE CB C 76 38.877 38.877 40.115 -1.238 25451 4521 1 9 . 1 1 76 76 PHE H H 76 9.004 9.004 8.517 0.487 25451 4522 1 9 . 1 1 77 77 ILE N N 77 126.459 126.459 127.077 -0.618 25451 4523 1 9 . 1 1 77 77 ILE C C 77 174.506 174.506 173.143 1.363 25451 4524 1 9 . 1 1 77 77 ILE CA C 77 58.505 58.505 58.943 -0.438 25451 4525 1 9 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.880 -4.470 25451 4526 1 9 . 1 1 77 77 ILE H H 77 8.161 8.161 8.066 0.095 25451 4527 1 9 . 1 1 78 78 GLY C C 78 172.005 172.005 173.289 -1.284 25451 4528 1 9 . 1 1 78 78 GLY CA C 78 43.555 43.555 44.468 -0.913 25451 4529 1 9 . 1 1 79 79 GLY N N 79 109.745 109.745 110.308 -0.563 25451 4530 1 9 . 1 1 79 79 GLY C C 79 174.981 174.981 174.022 0.959 25451 4531 1 9 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.730 -1.268 25451 4532 1 9 . 1 1 79 79 GLY H H 79 9.114 9.114 7.493 1.621 25451 4533 1 9 . 1 1 80 80 CYS N N 80 120.764 120.764 122.419 -1.655 25451 4534 1 9 . 1 1 80 80 CYS C C 80 176.533 176.533 176.894 -0.361 25451 4535 1 9 . 1 1 80 80 CYS CA C 80 63.825 63.825 61.499 2.326 25451 4536 1 9 . 1 1 80 80 CYS CB C 80 26.770 26.770 28.432 -1.662 25451 4537 1 9 . 1 1 80 80 CYS H H 80 8.571 8.571 8.607 -0.036 25451 4538 1 9 . 1 1 81 81 SER HA H 81 3.903 3.903 4.236 -0.333 25451 4539 1 9 . 1 1 81 81 SER C C 81 177.318 177.318 175.803 1.515 25451 4540 1 9 . 1 1 81 81 SER CA C 81 61.440 61.440 60.838 0.602 25451 4541 1 9 . 1 1 82 82 ASP N N 82 122.226 122.226 122.407 -0.181 25451 4542 1 9 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.327 0.024 25451 4543 1 9 . 1 1 82 82 ASP C C 82 177.993 177.993 178.094 -0.101 25451 4544 1 9 . 1 1 82 82 ASP CA C 82 57.129 57.129 57.500 -0.371 25451 4545 1 9 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.629 0.908 25451 4546 1 9 . 1 1 82 82 ASP H H 82 7.060 7.060 8.232 -1.172 25451 4547 1 9 . 1 1 83 83 LEU N N 83 121.542 121.542 119.979 1.563 25451 4548 1 9 . 1 1 83 83 LEU HA H 83 3.787 3.787 3.969 -0.182 25451 4549 1 9 . 1 1 83 83 LEU C C 83 177.957 177.957 178.194 -0.237 25451 4550 1 9 . 1 1 83 83 LEU CA C 83 57.863 57.863 58.129 -0.266 25451 4551 1 9 . 1 1 83 83 LEU CB C 83 42.087 42.087 41.932 0.155 25451 4552 1 9 . 1 1 83 83 LEU H H 83 7.793 7.793 8.050 -0.257 25451 4553 1 9 . 1 1 84 84 GLU N N 84 117.702 117.702 118.571 -0.869 25451 4554 1 9 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.905 -0.085 25451 4555 1 9 . 1 1 84 84 GLU C C 84 179.161 179.161 178.731 0.430 25451 4556 1 9 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.291 0.407 25451 4557 1 9 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.303 0.219 25451 4558 1 9 . 1 1 84 84 GLU H H 84 8.432 8.432 7.556 0.876 25451 4559 1 9 . 1 1 85 85 ALA N N 85 122.903 122.903 122.662 0.241 25451 4560 1 9 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.084 0.093 25451 4561 1 9 . 1 1 85 85 ALA C C 85 179.892 179.892 179.584 0.308 25451 4562 1 9 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.093 0.202 25451 4563 1 9 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.116 -0.335 25451 4564 1 9 . 1 1 85 85 ALA H H 85 7.890 7.890 8.005 -0.115 25451 4565 1 9 . 1 1 86 86 LEU N N 86 118.087 118.087 118.030 0.057 25451 4566 1 9 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.878 0.141 25451 4567 1 9 . 1 1 86 86 LEU C C 86 179.764 179.764 178.714 1.050 25451 4568 1 9 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.577 0.103 25451 4569 1 9 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.423 1.397 25451 4570 1 9 . 1 1 86 86 LEU H H 86 7.567 7.567 7.695 -0.128 25451 4571 1 9 . 1 1 87 87 ASP N N 87 119.239 119.239 119.598 -0.359 25451 4572 1 9 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.407 0.094 25451 4573 1 9 . 1 1 87 87 ASP C C 87 179.563 179.563 178.822 0.741 25451 4574 1 9 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.540 -0.686 25451 4575 1 9 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.766 1.230 25451 4576 1 9 . 1 1 87 87 ASP H H 87 7.985 7.985 7.603 0.382 25451 4577 1 9 . 1 1 88 88 LYS N N 88 121.741 121.741 119.874 1.867 25451 4578 1 9 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.150 -0.114 25451 4579 1 9 . 1 1 88 88 LYS C C 88 178.778 178.778 178.432 0.346 25451 4580 1 9 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.425 0.722 25451 4581 1 9 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.474 -0.292 25451 4582 1 9 . 1 1 88 88 LYS H H 88 8.461 8.461 8.077 0.384 25451 4583 1 9 . 1 1 89 89 GLU N N 89 115.496 115.496 117.387 -1.891 25451 4584 1 9 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.312 -0.002 25451 4585 1 9 . 1 1 89 89 GLU C C 89 176.806 176.806 177.095 -0.289 25451 4586 1 9 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.267 -0.055 25451 4587 1 9 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.822 0.525 25451 4588 1 9 . 1 1 89 89 GLU H H 89 7.838 7.838 8.090 -0.252 25451 4589 1 9 . 1 1 90 90 GLY N N 90 108.622 108.622 107.306 1.316 25451 4590 1 9 . 1 1 90 90 GLY C C 90 175.985 175.985 175.375 0.610 25451 4591 1 9 . 1 1 90 90 GLY CA C 90 46.215 46.215 46.163 0.052 25451 4592 1 9 . 1 1 90 90 GLY H H 90 7.992 7.992 7.915 0.077 25451 4593 1 9 . 1 1 91 91 LYS N N 91 117.355 117.355 120.706 -3.351 25451 4594 1 9 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.324 0.002 25451 4595 1 9 . 1 1 91 91 LYS C C 91 177.518 177.518 177.807 -0.289 25451 4596 1 9 . 1 1 91 91 LYS CA C 91 56.487 56.487 57.534 -1.047 25451 4597 1 9 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.568 2.549 25451 4598 1 9 . 1 1 91 91 LYS H H 91 8.047 8.047 7.820 0.227 25451 4599 1 9 . 1 1 92 92 LEU N N 92 121.641 121.641 120.953 0.688 25451 4600 1 9 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.058 -0.105 25451 4601 1 9 . 1 1 92 92 LEU C C 92 177.518 177.518 177.797 -0.279 25451 4602 1 9 . 1 1 92 92 LEU CA C 92 57.496 57.496 58.117 -0.621 25451 4603 1 9 . 1 1 92 92 LEU CB C 92 41.170 41.170 41.911 -0.741 25451 4604 1 9 . 1 1 92 92 LEU H H 92 7.582 7.582 7.786 -0.204 25451 4605 1 9 . 1 1 93 93 ASP N N 93 118.032 118.032 119.077 -1.045 25451 4606 1 9 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.385 -0.167 25451 4607 1 9 . 1 1 93 93 ASP C C 93 179.344 179.344 178.556 0.788 25451 4608 1 9 . 1 1 93 93 ASP CA C 93 57.955 57.955 57.438 0.517 25451 4609 1 9 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.053 -0.167 25451 4610 1 9 . 1 1 93 93 ASP H H 93 8.194 8.194 8.528 -0.334 25451 4611 1 9 . 1 1 94 94 GLY N N 94 107.012 107.012 108.220 -1.208 25451 4612 1 9 . 1 1 94 94 GLY C C 94 176.368 176.368 176.782 -0.414 25451 4613 1 9 . 1 1 94 94 GLY CA C 94 46.398 46.398 47.024 -0.626 25451 4614 1 9 . 1 1 94 94 GLY H H 94 8.271 8.271 8.259 0.012 25451 4615 1 9 . 1 1 95 95 LEU N N 95 120.472 120.472 122.209 -1.737 25451 4616 1 9 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.099 0.153 25451 4617 1 9 . 1 1 95 95 LEU C C 95 178.285 178.285 177.572 0.713 25451 4618 1 9 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.842 -0.355 25451 4619 1 9 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.334 0.395 25451 4620 1 9 . 1 1 95 95 LEU H H 95 7.475 7.475 7.574 -0.099 25451 4621 1 9 . 1 1 96 96 LEU N N 96 116.181 116.181 115.564 0.617 25451 4622 1 9 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.311 -0.051 25451 4623 1 9 . 1 1 96 96 LEU C C 96 176.186 176.186 176.709 -0.523 25451 4624 1 9 . 1 1 96 96 LEU CA C 96 54.561 54.561 53.985 0.576 25451 4625 1 9 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.669 0.602 25451 4626 1 9 . 1 1 96 96 LEU H H 96 7.394 7.394 7.353 0.041 25451 4627 1 10 . 1 1 5 5 SER HA H 5 4.492 4.492 3.996 0.496 25451 4628 1 10 . 1 1 5 5 SER C C 5 176.496 176.496 175.735 0.761 25451 4629 1 10 . 1 1 5 5 SER CA C 5 59.422 59.422 60.048 -0.626 25451 4630 1 10 . 1 1 5 5 SER CB C 5 64.100 64.100 62.747 1.353 25451 4631 1 10 . 1 1 6 6 ILE N N 6 120.626 120.626 120.096 0.530 25451 4632 1 10 . 1 1 6 6 ILE HA H 6 3.811 3.811 4.059 -0.248 25451 4633 1 10 . 1 1 6 6 ILE C C 6 176.952 176.952 176.756 0.196 25451 4634 1 10 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.853 0.247 25451 4635 1 10 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.675 -0.265 25451 4636 1 10 . 1 1 6 6 ILE H H 6 9.168 9.168 8.331 0.837 25451 4637 1 10 . 1 1 7 7 ALA N N 7 122.320 122.320 123.265 -0.945 25451 4638 1 10 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.835 0.059 25451 4639 1 10 . 1 1 7 7 ALA C C 7 179.837 179.837 179.363 0.474 25451 4640 1 10 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.780 0.423 25451 4641 1 10 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.838 0.310 25451 4642 1 10 . 1 1 7 7 ALA H H 7 7.882 7.882 8.032 -0.150 25451 4643 1 10 . 1 1 8 8 SER N N 8 110.329 110.329 114.138 -3.809 25451 4644 1 10 . 1 1 8 8 SER HA H 8 4.227 4.227 4.195 0.032 25451 4645 1 10 . 1 1 8 8 SER C C 8 177.409 177.409 177.002 0.407 25451 4646 1 10 . 1 1 8 8 SER CA C 8 60.156 60.156 61.095 -0.939 25451 4647 1 10 . 1 1 8 8 SER CB C 8 62.908 62.908 62.996 -0.088 25451 4648 1 10 . 1 1 8 8 SER H H 8 7.647 7.647 7.926 -0.279 25451 4649 1 10 . 1 1 9 9 MET N N 9 122.133 122.133 122.248 -0.115 25451 4650 1 10 . 1 1 9 9 MET HA H 9 4.127 4.127 4.241 -0.114 25451 4651 1 10 . 1 1 9 9 MET C C 9 180.841 180.841 178.056 2.785 25451 4652 1 10 . 1 1 9 9 MET CA C 9 59.147 59.147 58.401 0.746 25451 4653 1 10 . 1 1 9 9 MET CB C 9 35.025 35.025 32.429 2.596 25451 4654 1 10 . 1 1 9 9 MET H H 9 7.787 7.787 7.373 0.414 25451 4655 1 10 . 1 1 10 10 ILE N N 10 115.009 115.009 118.428 -3.419 25451 4656 1 10 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.737 0.025 25451 4657 1 10 . 1 1 10 10 ILE C C 10 174.981 174.981 177.359 -2.378 25451 4658 1 10 . 1 1 10 10 ILE CA C 10 65.293 65.293 62.581 2.712 25451 4659 1 10 . 1 1 10 10 ILE CB C 10 37.776 37.776 36.093 1.683 25451 4660 1 10 . 1 1 10 10 ILE H H 10 8.315 8.315 7.776 0.539 25451 4661 1 10 . 1 1 11 11 LYS N N 11 117.153 117.153 118.145 -0.992 25451 4662 1 10 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.334 0.175 25451 4663 1 10 . 1 1 11 11 LYS C C 11 177.774 177.774 178.289 -0.515 25451 4664 1 10 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.196 -1.717 25451 4665 1 10 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.082 0.191 25451 4666 1 10 . 1 1 11 11 LYS H H 11 6.877 6.877 7.622 -0.745 25451 4667 1 10 . 1 1 12 12 GLY N N 12 106.134 106.134 107.862 -1.728 25451 4668 1 10 . 1 1 12 12 GLY C C 12 172.553 172.553 174.610 -2.057 25451 4669 1 10 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.648 0.658 25451 4670 1 10 . 1 1 12 12 GLY H H 12 7.757 7.757 8.028 -0.271 25451 4671 1 10 . 1 1 13 13 ASN N N 13 115.402 115.402 115.186 0.216 25451 4672 1 10 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.908 -0.316 25451 4673 1 10 . 1 1 13 13 ASN C C 13 174.068 174.068 174.119 -0.051 25451 4674 1 10 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.209 -2.050 25451 4675 1 10 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.643 -0.748 25451 4676 1 10 . 1 1 13 13 ASN H H 13 7.214 7.214 7.398 -0.184 25451 4677 1 10 . 1 1 14 14 LYS N N 14 122.033 122.033 120.534 1.499 25451 4678 1 10 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.122 -0.053 25451 4679 1 10 . 1 1 14 14 LYS C C 14 176.533 176.533 176.228 0.305 25451 4680 1 10 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.732 1.241 25451 4681 1 10 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.469 -1.929 25451 4682 1 10 . 1 1 14 14 LYS H H 14 8.351 8.351 8.858 -0.507 25451 4683 1 10 . 1 1 15 15 VAL N N 15 117.450 117.450 116.803 0.647 25451 4684 1 10 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.183 -0.159 25451 4685 1 10 . 1 1 15 15 VAL C C 15 174.543 174.543 174.752 -0.209 25451 4686 1 10 . 1 1 15 15 VAL CA C 15 60.340 60.340 59.744 0.596 25451 4687 1 10 . 1 1 15 15 VAL CB C 15 32.732 32.732 33.941 -1.209 25451 4688 1 10 . 1 1 15 15 VAL H H 15 8.021 8.021 8.241 -0.220 25451 4689 1 10 . 1 1 16 16 VAL N N 16 128.604 128.604 127.153 1.451 25451 4690 1 10 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.023 -0.132 25451 4691 1 10 . 1 1 16 16 VAL C C 16 173.922 173.922 174.550 -0.628 25451 4692 1 10 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.833 0.516 25451 4693 1 10 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.741 -0.533 25451 4694 1 10 . 1 1 16 16 VAL H H 16 8.909 8.909 8.959 -0.050 25451 4695 1 10 . 1 1 17 17 VAL N N 17 126.814 126.814 123.568 3.246 25451 4696 1 10 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.113 -0.098 25451 4697 1 10 . 1 1 17 17 VAL C C 17 173.593 173.593 174.099 -0.506 25451 4698 1 10 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.392 -0.511 25451 4699 1 10 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.870 -0.387 25451 4700 1 10 . 1 1 17 17 VAL H H 17 8.359 8.359 8.734 -0.375 25451 4701 1 10 . 1 1 18 18 PHE N N 18 125.697 125.697 125.238 0.459 25451 4702 1 10 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.410 0.004 25451 4703 1 10 . 1 1 18 18 PHE C C 18 175.364 175.364 175.184 0.180 25451 4704 1 10 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.633 0.497 25451 4705 1 10 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.468 -2.132 25451 4706 1 10 . 1 1 18 18 PHE H H 18 9.015 9.015 9.173 -0.158 25451 4707 1 10 . 1 1 19 19 SER N N 19 120.570 120.570 117.072 3.498 25451 4708 1 10 . 1 1 19 19 SER HA H 19 5.215 5.215 4.987 0.228 25451 4709 1 10 . 1 1 19 19 SER C C 19 173.539 173.539 172.921 0.618 25451 4710 1 10 . 1 1 19 19 SER CA C 19 57.863 57.863 57.250 0.613 25451 4711 1 10 . 1 1 19 19 SER CB C 19 69.512 69.512 66.440 3.072 25451 4712 1 10 . 1 1 19 19 SER H H 19 9.137 9.137 8.909 0.228 25451 4713 1 10 . 1 1 20 20 TRP N N 20 122.520 122.520 121.379 1.141 25451 4714 1 10 . 1 1 20 20 TRP HA H 20 5.945 5.945 4.982 0.963 25451 4715 1 10 . 1 1 20 20 TRP C C 20 178.030 178.030 175.347 2.683 25451 4716 1 10 . 1 1 20 20 TRP CA C 20 54.011 54.011 55.938 -1.927 25451 4717 1 10 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.947 1.243 25451 4718 1 10 . 1 1 20 20 TRP H H 20 8.520 8.520 8.744 -0.224 25451 4719 1 10 . 1 1 21 21 VAL N N 21 124.864 124.864 117.374 7.490 25451 4720 1 10 . 1 1 21 21 VAL C C 21 177.208 177.208 175.901 1.307 25451 4721 1 10 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.269 3.115 25451 4722 1 10 . 1 1 21 21 VAL CB C 21 32.273 32.273 32.599 -0.327 25451 4723 1 10 . 1 1 21 21 VAL H H 21 9.956 9.956 8.180 1.776 25451 4724 1 10 . 1 1 22 22 THR HA H 22 4.542 4.542 4.537 0.005 25451 4725 1 10 . 1 1 22 22 THR C C 22 174.269 174.269 173.895 0.374 25451 4726 1 10 . 1 1 22 22 THR CA C 22 60.982 60.982 62.241 -1.259 25451 4727 1 10 . 1 1 22 22 THR CB C 22 69.237 69.237 69.531 -0.294 25451 4728 1 10 . 1 1 23 23 CYS N N 23 127.689 127.689 125.791 1.898 25451 4729 1 10 . 1 1 23 23 CYS C C 23 175.054 175.054 173.768 1.286 25451 4730 1 10 . 1 1 23 23 CYS CA C 23 56.396 56.396 56.249 0.147 25451 4731 1 10 . 1 1 23 23 CYS CB C 23 32.273 32.273 30.435 1.838 25451 4732 1 10 . 1 1 23 23 CYS H H 23 7.013 7.013 8.912 -1.899 25451 4733 1 10 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.233 0.068 25451 4734 1 10 . 1 1 24 24 PRO C C 24 180.202 180.202 177.090 3.112 25451 4735 1 10 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.705 -0.238 25451 4736 1 10 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.675 0.507 25451 4737 1 10 . 1 1 25 25 TYR N N 25 126.810 126.810 117.899 8.911 25451 4738 1 10 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.436 -0.126 25451 4739 1 10 . 1 1 25 25 TYR C C 25 178.632 178.632 177.684 0.948 25451 4740 1 10 . 1 1 25 25 TYR CA C 25 61.715 61.715 59.777 1.938 25451 4741 1 10 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.834 -0.058 25451 4742 1 10 . 1 1 25 25 TYR H H 25 9.569 9.569 7.764 1.805 25451 4743 1 10 . 1 1 26 26 CYS N N 26 127.984 127.984 120.710 7.274 25451 4744 1 10 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.222 -0.203 25451 4745 1 10 . 1 1 26 26 CYS C C 26 176.642 176.642 176.757 -0.115 25451 4746 1 10 . 1 1 26 26 CYS CA C 26 64.559 64.559 61.910 2.649 25451 4747 1 10 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.376 1.862 25451 4748 1 10 . 1 1 26 26 CYS H H 26 9.239 9.239 8.244 0.995 25451 4749 1 10 . 1 1 27 27 VAL N N 27 121.054 121.054 120.195 0.859 25451 4750 1 10 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.603 -0.016 25451 4751 1 10 . 1 1 27 27 VAL C C 27 178.614 178.614 177.503 1.111 25451 4752 1 10 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.624 0.136 25451 4753 1 10 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.806 0.284 25451 4754 1 10 . 1 1 27 27 VAL H H 27 8.402 8.402 7.562 0.840 25451 4755 1 10 . 1 1 28 28 ARG N N 28 119.686 119.686 119.071 0.615 25451 4756 1 10 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.968 -0.007 25451 4757 1 10 . 1 1 28 28 ARG C C 28 178.742 178.742 178.785 -0.043 25451 4758 1 10 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.491 0.115 25451 4759 1 10 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.845 0.777 25451 4760 1 10 . 1 1 28 28 ARG H H 28 7.655 7.655 8.175 -0.520 25451 4761 1 10 . 1 1 29 29 ALA N N 29 122.324 122.324 122.755 -0.431 25451 4762 1 10 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.125 -0.114 25451 4763 1 10 . 1 1 29 29 ALA C C 29 178.906 178.906 179.598 -0.692 25451 4764 1 10 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.165 -0.053 25451 4765 1 10 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.510 0.097 25451 4766 1 10 . 1 1 29 29 ALA H H 29 8.175 8.175 8.498 -0.323 25451 4767 1 10 . 1 1 30 30 GLU N N 30 117.151 117.151 118.448 -1.297 25451 4768 1 10 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.970 -0.433 25451 4769 1 10 . 1 1 30 30 GLU C C 30 178.030 178.030 179.221 -1.191 25451 4770 1 10 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.610 1.005 25451 4771 1 10 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.561 -0.039 25451 4772 1 10 . 1 1 30 30 GLU H H 30 8.689 8.689 8.581 0.108 25451 4773 1 10 . 1 1 31 31 LYS N N 31 119.597 119.597 120.337 -0.740 25451 4774 1 10 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.139 -0.103 25451 4775 1 10 . 1 1 31 31 LYS C C 31 179.746 179.746 178.882 0.864 25451 4776 1 10 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.377 0.412 25451 4777 1 10 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.623 -0.075 25451 4778 1 10 . 1 1 31 31 LYS H H 31 8.359 8.359 7.693 0.666 25451 4779 1 10 . 1 1 32 32 LEU N N 32 121.147 121.147 121.496 -0.349 25451 4780 1 10 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.072 -0.020 25451 4781 1 10 . 1 1 32 32 LEU C C 32 179.198 179.198 178.959 0.239 25451 4782 1 10 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.764 0.741 25451 4783 1 10 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.332 0.847 25451 4784 1 10 . 1 1 32 32 LEU H H 32 7.610 7.610 7.705 -0.095 25451 4785 1 10 . 1 1 33 33 LEU N N 33 118.120 118.120 118.380 -0.260 25451 4786 1 10 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.735 0.027 25451 4787 1 10 . 1 1 33 33 LEU C C 33 179.234 179.234 178.936 0.298 25451 4788 1 10 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.440 -0.026 25451 4789 1 10 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.346 1.108 25451 4790 1 10 . 1 1 33 33 LEU H H 33 7.904 7.904 8.595 -0.691 25451 4791 1 10 . 1 1 34 34 HIS N N 34 117.939 117.939 117.259 0.680 25451 4792 1 10 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.386 0.247 25451 4793 1 10 . 1 1 34 34 HIS C C 34 176.879 176.879 178.044 -1.165 25451 4794 1 10 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.544 -0.122 25451 4795 1 10 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.748 0.324 25451 4796 1 10 . 1 1 34 34 HIS H H 34 8.876 8.876 7.720 1.156 25451 4797 1 10 . 1 1 35 35 ALA N N 35 118.133 118.133 122.689 -4.556 25451 4798 1 10 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.196 0.089 25451 4799 1 10 . 1 1 35 35 ALA C C 35 178.395 178.395 179.011 -0.616 25451 4800 1 10 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.576 -1.391 25451 4801 1 10 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.736 -0.221 25451 4802 1 10 . 1 1 35 35 ALA H H 35 7.229 7.229 8.169 -0.940 25451 4803 1 10 . 1 1 36 36 ARG N N 36 115.692 115.692 115.642 0.050 25451 4804 1 10 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.593 -0.151 25451 4805 1 10 . 1 1 36 36 ARG C C 36 175.693 175.693 175.232 0.461 25451 4806 1 10 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.076 0.669 25451 4807 1 10 . 1 1 36 36 ARG CB C 36 32.548 32.548 29.884 2.664 25451 4808 1 10 . 1 1 36 36 ARG H H 36 7.647 7.647 7.995 -0.348 25451 4809 1 10 . 1 1 37 37 THR N N 37 114.964 114.964 110.717 4.247 25451 4810 1 10 . 1 1 37 37 THR HA H 37 4.651 4.651 3.836 0.815 25451 4811 1 10 . 1 1 37 37 THR C C 37 170.636 170.636 173.762 -3.126 25451 4812 1 10 . 1 1 37 37 THR CA C 37 60.523 60.523 63.855 -3.332 25451 4813 1 10 . 1 1 37 37 THR CB C 37 68.870 68.870 66.560 2.310 25451 4814 1 10 . 1 1 37 37 THR H H 37 8.087 8.087 7.734 0.353 25451 4815 1 10 . 1 1 38 38 LYS N N 38 121.835 121.835 121.620 0.215 25451 4816 1 10 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.142 0.525 25451 4817 1 10 . 1 1 38 38 LYS C C 38 178.139 178.139 175.821 2.318 25451 4818 1 10 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.479 -0.184 25451 4819 1 10 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.184 0.548 25451 4820 1 10 . 1 1 38 38 LYS H H 38 8.299 8.299 8.012 0.287 25451 4821 1 10 . 1 1 39 39 ASP N N 39 128.517 128.517 126.215 2.302 25451 4822 1 10 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.422 0.461 25451 4823 1 10 . 1 1 39 39 ASP C C 39 172.754 172.754 174.983 -2.229 25451 4824 1 10 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.739 -0.636 25451 4825 1 10 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.870 0.117 25451 4826 1 10 . 1 1 39 39 ASP H H 39 8.823 8.823 8.436 0.387 25451 4827 1 10 . 1 1 40 40 ILE N N 40 116.959 116.959 124.500 -7.541 25451 4828 1 10 . 1 1 40 40 ILE HA H 40 5.273 5.273 5.005 0.268 25451 4829 1 10 . 1 1 40 40 ILE C C 40 174.470 174.470 174.719 -0.249 25451 4830 1 10 . 1 1 40 40 ILE CA C 40 57.038 57.038 58.743 -1.705 25451 4831 1 10 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.975 -0.255 25451 4832 1 10 . 1 1 40 40 ILE H H 40 7.273 7.273 7.743 -0.470 25451 4833 1 10 . 1 1 41 41 THR N N 41 125.545 125.545 123.747 1.798 25451 4834 1 10 . 1 1 41 41 THR HA H 41 4.260 4.260 4.710 -0.450 25451 4835 1 10 . 1 1 41 41 THR C C 41 171.476 171.476 172.308 -0.832 25451 4836 1 10 . 1 1 41 41 THR CA C 41 61.807 61.807 61.073 0.734 25451 4837 1 10 . 1 1 41 41 THR CB C 41 72.172 72.172 70.654 1.518 25451 4838 1 10 . 1 1 41 41 THR H H 41 8.564 8.564 8.498 0.066 25451 4839 1 10 . 1 1 42 42 VAL N N 42 126.913 126.913 127.213 -0.300 25451 4840 1 10 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.809 -0.566 25451 4841 1 10 . 1 1 42 42 VAL C C 42 174.086 174.086 174.057 0.029 25451 4842 1 10 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.059 1.189 25451 4843 1 10 . 1 1 42 42 VAL CB C 42 32.824 32.824 34.020 -1.196 25451 4844 1 10 . 1 1 42 42 VAL H H 42 8.271 8.271 8.260 0.011 25451 4845 1 10 . 1 1 43 43 HIS N N 43 127.392 127.392 128.105 -0.713 25451 4846 1 10 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.801 -0.234 25451 4847 1 10 . 1 1 43 43 HIS C C 43 174.543 174.543 173.270 1.273 25451 4848 1 10 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.157 -0.054 25451 4849 1 10 . 1 1 43 43 HIS CB C 43 31.815 31.815 32.299 -0.484 25451 4850 1 10 . 1 1 43 43 HIS H H 43 8.829 8.829 8.732 0.097 25451 4851 1 10 . 1 1 44 44 TYR N N 44 126.221 126.221 128.074 -1.853 25451 4852 1 10 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.947 0.259 25451 4853 1 10 . 1 1 44 44 TYR C C 44 177.865 177.865 176.464 1.401 25451 4854 1 10 . 1 1 44 44 TYR CA C 44 57.313 57.313 55.936 1.377 25451 4855 1 10 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.149 -1.299 25451 4856 1 10 . 1 1 44 44 TYR H H 44 8.938 8.938 8.944 -0.006 25451 4857 1 10 . 1 1 45 45 VAL N N 45 120.086 120.086 120.263 -0.177 25451 4858 1 10 . 1 1 45 45 VAL HA H 45 4.351 4.351 3.979 0.372 25451 4859 1 10 . 1 1 45 45 VAL C C 45 176.952 176.952 176.728 0.224 25451 4860 1 10 . 1 1 45 45 VAL CA C 45 63.917 63.917 63.066 0.851 25451 4861 1 10 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.218 0.046 25451 4862 1 10 . 1 1 45 45 VAL H H 45 9.037 9.037 8.148 0.889 25451 4863 1 10 . 1 1 46 46 ASP N N 46 118.427 118.427 121.135 -2.708 25451 4864 1 10 . 1 1 46 46 ASP HA H 46 4.409 4.409 3.794 0.615 25451 4865 1 10 . 1 1 46 46 ASP C C 46 176.989 176.989 177.112 -0.123 25451 4866 1 10 . 1 1 46 46 ASP CA C 46 54.745 54.745 56.072 -1.327 25451 4867 1 10 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.722 -3.863 25451 4868 1 10 . 1 1 46 46 ASP H H 46 10.711 10.711 7.927 2.784 25451 4869 1 10 . 1 1 47 47 LYS N N 47 119.396 119.396 117.474 1.922 25451 4870 1 10 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.124 0.418 25451 4871 1 10 . 1 1 47 47 LYS C C 47 176.350 176.350 176.270 0.080 25451 4872 1 10 . 1 1 47 47 LYS CA C 47 55.020 55.020 57.283 -2.263 25451 4873 1 10 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.020 -0.380 25451 4874 1 10 . 1 1 47 47 LYS H H 47 7.801 7.801 7.928 -0.127 25451 4875 1 10 . 1 1 48 48 MET N N 48 118.957 118.957 115.821 3.136 25451 4876 1 10 . 1 1 48 48 MET C C 48 177.500 177.500 175.821 1.679 25451 4877 1 10 . 1 1 48 48 MET CA C 48 54.928 54.928 53.714 1.214 25451 4878 1 10 . 1 1 48 48 MET CB C 48 36.492 36.492 34.346 2.146 25451 4879 1 10 . 1 1 48 48 MET H H 48 7.331 7.331 7.395 -0.064 25451 4880 1 10 . 1 1 49 49 SER HA H 49 4.260 4.260 4.151 0.109 25451 4881 1 10 . 1 1 49 49 SER C C 49 176.898 176.898 176.399 0.499 25451 4882 1 10 . 1 1 49 49 SER CA C 49 61.899 61.899 60.680 1.219 25451 4883 1 10 . 1 1 50 50 GLU N N 50 121.350 121.350 122.047 -0.697 25451 4884 1 10 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.223 0.527 25451 4885 1 10 . 1 1 50 50 GLU C C 50 176.971 176.971 178.639 -1.668 25451 4886 1 10 . 1 1 50 50 GLU CA C 50 56.487 56.487 57.376 -0.889 25451 4887 1 10 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.504 -1.266 25451 4888 1 10 . 1 1 50 50 GLU H H 50 10.024 10.024 8.662 1.362 25451 4889 1 10 . 1 1 51 51 GLY N N 51 109.546 109.546 108.033 1.513 25451 4890 1 10 . 1 1 51 51 GLY C C 51 175.602 175.602 175.872 -0.270 25451 4891 1 10 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.148 1.727 25451 4892 1 10 . 1 1 51 51 GLY H H 51 8.124 8.124 7.919 0.205 25451 4893 1 10 . 1 1 52 52 GLU N N 52 120.614 120.614 121.460 -0.846 25451 4894 1 10 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.017 0.185 25451 4895 1 10 . 1 1 52 52 GLU C C 52 180.056 180.056 179.216 0.840 25451 4896 1 10 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.503 -0.081 25451 4897 1 10 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.441 -0.470 25451 4898 1 10 . 1 1 52 52 GLU H H 52 8.821 8.821 7.834 0.987 25451 4899 1 10 . 1 1 53 53 GLN N N 53 123.591 123.591 118.878 4.713 25451 4900 1 10 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.134 0.010 25451 4901 1 10 . 1 1 53 53 GLN C C 53 179.600 179.600 178.718 0.882 25451 4902 1 10 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.574 0.482 25451 4903 1 10 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.803 -1.116 25451 4904 1 10 . 1 1 53 53 GLN H H 53 8.117 8.117 8.210 -0.093 25451 4905 1 10 . 1 1 54 54 LEU N N 54 120.960 120.960 119.819 1.141 25451 4906 1 10 . 1 1 54 54 LEU HA H 54 4.011 4.011 4.109 -0.098 25451 4907 1 10 . 1 1 54 54 LEU C C 54 179.417 179.417 179.037 0.380 25451 4908 1 10 . 1 1 54 54 LEU CA C 54 57.863 57.863 56.921 0.942 25451 4909 1 10 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.630 -0.194 25451 4910 1 10 . 1 1 54 54 LEU H H 54 8.249 8.249 7.664 0.585 25451 4911 1 10 . 1 1 55 55 ARG N N 55 118.038 118.038 119.227 -1.189 25451 4912 1 10 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.944 -0.149 25451 4913 1 10 . 1 1 55 55 ARG C C 55 180.439 180.439 178.955 1.484 25451 4914 1 10 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.917 0.698 25451 4915 1 10 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.894 -0.372 25451 4916 1 10 . 1 1 55 55 ARG H H 55 8.402 8.402 8.586 -0.184 25451 4917 1 10 . 1 1 56 56 GLY N N 56 110.675 110.675 107.087 3.588 25451 4918 1 10 . 1 1 56 56 GLY C C 56 176.350 176.350 176.139 0.211 25451 4919 1 10 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.052 0.172 25451 4920 1 10 . 1 1 56 56 GLY H H 56 8.376 8.376 8.347 0.029 25451 4921 1 10 . 1 1 57 57 GLU N N 57 124.469 124.469 122.159 2.310 25451 4922 1 10 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.026 0.051 25451 4923 1 10 . 1 1 57 57 GLU C C 57 180.184 180.184 179.259 0.925 25451 4924 1 10 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.974 0.631 25451 4925 1 10 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.118 0.862 25451 4926 1 10 . 1 1 57 57 GLU H H 57 8.146 8.146 7.686 0.460 25451 4927 1 10 . 1 1 58 58 ILE N N 58 121.352 121.352 120.279 1.073 25451 4928 1 10 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.845 -0.158 25451 4929 1 10 . 1 1 58 58 ILE C C 58 178.030 178.030 177.748 0.282 25451 4930 1 10 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.335 0.233 25451 4931 1 10 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.931 0.396 25451 4932 1 10 . 1 1 58 58 ILE H H 58 8.201 8.201 7.475 0.726 25451 4933 1 10 . 1 1 59 59 TYR N N 59 121.934 121.934 120.811 1.123 25451 4934 1 10 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.307 -0.172 25451 4935 1 10 . 1 1 59 59 TYR C C 59 178.322 178.322 178.324 -0.002 25451 4936 1 10 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.436 0.555 25451 4937 1 10 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.709 -0.749 25451 4938 1 10 . 1 1 59 59 TYR H H 59 8.256 8.256 8.334 -0.078 25451 4939 1 10 . 1 1 60 60 GLN N N 60 119.694 119.694 118.471 1.223 25451 4940 1 10 . 1 1 60 60 GLN HA H 60 3.679 3.679 4.073 -0.394 25451 4941 1 10 . 1 1 60 60 GLN C C 60 177.336 177.336 177.687 -0.351 25451 4942 1 10 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.573 0.207 25451 4943 1 10 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.275 0.238 25451 4944 1 10 . 1 1 60 60 GLN H H 60 8.512 8.512 8.320 0.192 25451 4945 1 10 . 1 1 61 61 ALA N N 61 117.444 117.444 120.076 -2.632 25451 4946 1 10 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.988 -0.019 25451 4947 1 10 . 1 1 61 61 ALA C C 61 179.180 179.180 177.403 1.777 25451 4948 1 10 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.378 0.358 25451 4949 1 10 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.705 0.452 25451 4950 1 10 . 1 1 61 61 ALA H H 61 7.749 7.749 7.682 0.067 25451 4951 1 10 . 1 1 62 62 TYR N N 62 113.265 113.265 114.840 -1.575 25451 4952 1 10 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.468 0.057 25451 4953 1 10 . 1 1 62 62 TYR C C 62 175.036 175.036 175.203 -0.167 25451 4954 1 10 . 1 1 62 62 TYR CA C 62 57.313 57.313 57.199 0.114 25451 4955 1 10 . 1 1 62 62 TYR CB C 62 38.969 38.969 38.972 -0.003 25451 4956 1 10 . 1 1 62 62 TYR H H 62 7.801 7.801 7.936 -0.135 25451 4957 1 10 . 1 1 63 63 LYS N N 63 117.584 117.584 117.356 0.228 25451 4958 1 10 . 1 1 63 63 LYS HA H 63 3.504 3.504 3.494 0.010 25451 4959 1 10 . 1 1 63 63 LYS C C 63 173.812 173.812 173.902 -0.090 25451 4960 1 10 . 1 1 63 63 LYS CA C 63 56.671 56.671 57.292 -0.621 25451 4961 1 10 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.489 -0.976 25451 4962 1 10 . 1 1 63 63 LYS H H 63 8.098 8.098 7.865 0.233 25451 4963 1 10 . 1 1 64 64 HIS N N 64 118.618 118.618 113.854 4.764 25451 4964 1 10 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.308 0.649 25451 4965 1 10 . 1 1 64 64 HIS C C 64 175.985 175.985 174.002 1.983 25451 4966 1 10 . 1 1 64 64 HIS CA C 64 55.754 55.754 54.722 1.032 25451 4967 1 10 . 1 1 64 64 HIS CB C 64 34.933 34.933 32.556 2.377 25451 4968 1 10 . 1 1 64 64 HIS H H 64 6.524 6.524 6.823 -0.299 25451 4969 1 10 . 1 1 65 65 GLU N N 65 126.723 126.723 121.714 5.009 25451 4970 1 10 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.501 -0.108 25451 4971 1 10 . 1 1 65 65 GLU C C 65 175.346 175.346 176.420 -1.074 25451 4972 1 10 . 1 1 65 65 GLU CA C 65 56.946 56.946 56.598 0.348 25451 4973 1 10 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.363 0.910 25451 4974 1 10 . 1 1 65 65 GLU H H 65 9.188 9.188 7.967 1.221 25451 4975 1 10 . 1 1 66 66 THR N N 66 108.043 108.043 108.230 -0.187 25451 4976 1 10 . 1 1 66 66 THR HA H 66 4.393 4.393 4.617 -0.224 25451 4977 1 10 . 1 1 66 66 THR C C 66 174.579 174.579 173.899 0.680 25451 4978 1 10 . 1 1 66 66 THR CA C 66 59.698 59.698 60.720 -1.022 25451 4979 1 10 . 1 1 66 66 THR CB C 66 71.071 71.071 70.925 0.146 25451 4980 1 10 . 1 1 66 66 THR H H 66 6.296 6.296 7.813 -1.517 25451 4981 1 10 . 1 1 67 67 VAL N N 67 112.473 112.473 114.367 -1.894 25451 4982 1 10 . 1 1 67 67 VAL C C 67 173.027 173.027 174.482 -1.455 25451 4983 1 10 . 1 1 67 67 VAL CA C 67 58.047 58.047 61.590 -3.543 25451 4984 1 10 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.581 0.601 25451 4985 1 10 . 1 1 67 67 VAL H H 67 7.688 7.688 8.486 -0.798 25451 4986 1 10 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.471 0.959 25451 4987 1 10 . 1 1 68 68 PRO C C 68 176.405 176.405 175.492 0.913 25451 4988 1 10 . 1 1 68 68 PRO CA C 68 61.807 61.807 63.074 -1.266 25451 4989 1 10 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.323 2.518 25451 4990 1 10 . 1 1 69 69 ALA N N 69 124.309 124.309 120.989 3.320 25451 4991 1 10 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.714 0.094 25451 4992 1 10 . 1 1 69 69 ALA C C 69 175.273 175.273 176.466 -1.193 25451 4993 1 10 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.347 0.004 25451 4994 1 10 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.825 0.900 25451 4995 1 10 . 1 1 69 69 ALA H H 69 8.952 8.952 7.945 1.007 25451 4996 1 10 . 1 1 70 70 ILE N N 70 124.569 124.569 121.763 2.806 25451 4997 1 10 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.913 -0.363 25451 4998 1 10 . 1 1 70 70 ILE C C 70 172.553 172.553 174.029 -1.476 25451 4999 1 10 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.194 1.888 25451 5000 1 10 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.597 -1.528 25451 5001 1 10 . 1 1 70 70 ILE H H 70 8.447 8.447 7.995 0.452 25451 5002 1 10 . 1 1 71 71 PHE N N 71 127.490 127.490 123.721 3.769 25451 5003 1 10 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.541 -0.318 25451 5004 1 10 . 1 1 71 71 PHE C C 71 174.798 174.798 174.816 -0.018 25451 5005 1 10 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.202 -0.081 25451 5006 1 10 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.713 -1.626 25451 5007 1 10 . 1 1 71 71 PHE H H 71 9.219 9.219 9.206 0.013 25451 5008 1 10 . 1 1 72 72 ILE N N 72 118.614 118.614 121.641 -3.027 25451 5009 1 10 . 1 1 72 72 ILE HA H 72 5.107 5.107 5.044 0.063 25451 5010 1 10 . 1 1 72 72 ILE C C 72 177.518 177.518 176.042 1.476 25451 5011 1 10 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.470 0.053 25451 5012 1 10 . 1 1 72 72 ILE CB C 72 40.987 40.987 41.093 -0.106 25451 5013 1 10 . 1 1 72 72 ILE H H 72 8.715 8.715 9.077 -0.362 25451 5014 1 10 . 1 1 73 73 ASN N N 73 129.431 129.431 126.647 2.784 25451 5015 1 10 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.396 0.271 25451 5016 1 10 . 1 1 73 73 ASN C C 73 175.273 175.273 175.814 -0.541 25451 5017 1 10 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.522 0.039 25451 5018 1 10 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.851 0.467 25451 5019 1 10 . 1 1 73 73 ASN H H 73 10.691 10.691 9.463 1.228 25451 5020 1 10 . 1 1 74 74 GLY N N 74 104.235 104.235 102.749 1.486 25451 5021 1 10 . 1 1 74 74 GLY C C 74 172.754 172.754 173.824 -1.070 25451 5022 1 10 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.623 -0.601 25451 5023 1 10 . 1 1 74 74 GLY H H 74 9.529 9.529 8.981 0.548 25451 5024 1 10 . 1 1 75 75 ASN N N 75 119.009 119.009 119.853 -0.844 25451 5025 1 10 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.107 -0.009 25451 5026 1 10 . 1 1 75 75 ASN C C 75 174.269 174.269 174.422 -0.153 25451 5027 1 10 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.364 -0.738 25451 5028 1 10 . 1 1 75 75 ASN CB C 75 39.978 39.978 39.882 0.096 25451 5029 1 10 . 1 1 75 75 ASN H H 75 8.116 8.116 8.027 0.089 25451 5030 1 10 . 1 1 76 76 PHE N N 76 124.901 124.901 124.608 0.293 25451 5031 1 10 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.474 -0.820 25451 5032 1 10 . 1 1 76 76 PHE C C 76 175.273 175.273 175.012 0.261 25451 5033 1 10 . 1 1 76 76 PHE CA C 76 57.863 57.863 57.371 0.492 25451 5034 1 10 . 1 1 76 76 PHE CB C 76 38.877 38.877 39.718 -0.841 25451 5035 1 10 . 1 1 76 76 PHE H H 76 9.004 9.004 8.643 0.361 25451 5036 1 10 . 1 1 77 77 ILE N N 77 126.459 126.459 126.088 0.371 25451 5037 1 10 . 1 1 77 77 ILE C C 77 174.506 174.506 173.063 1.443 25451 5038 1 10 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.666 -1.161 25451 5039 1 10 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.878 -4.468 25451 5040 1 10 . 1 1 77 77 ILE H H 77 8.161 8.161 8.036 0.125 25451 5041 1 10 . 1 1 78 78 GLY C C 78 172.005 172.005 173.353 -1.348 25451 5042 1 10 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.928 -0.373 25451 5043 1 10 . 1 1 79 79 GLY N N 79 109.745 109.745 112.145 -2.400 25451 5044 1 10 . 1 1 79 79 GLY C C 79 174.981 174.981 173.885 1.096 25451 5045 1 10 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.843 -1.380 25451 5046 1 10 . 1 1 79 79 GLY H H 79 9.114 9.114 8.002 1.112 25451 5047 1 10 . 1 1 80 80 CYS N N 80 120.764 120.764 123.219 -2.455 25451 5048 1 10 . 1 1 80 80 CYS C C 80 176.533 176.533 175.914 0.619 25451 5049 1 10 . 1 1 80 80 CYS CA C 80 63.825 63.825 61.124 2.701 25451 5050 1 10 . 1 1 80 80 CYS CB C 80 26.770 26.770 26.597 0.173 25451 5051 1 10 . 1 1 80 80 CYS H H 80 8.571 8.571 8.949 -0.378 25451 5052 1 10 . 1 1 81 81 SER HA H 81 3.903 3.903 4.095 -0.192 25451 5053 1 10 . 1 1 81 81 SER C C 81 177.318 177.318 175.541 1.777 25451 5054 1 10 . 1 1 81 81 SER CA C 81 61.440 61.440 61.378 0.062 25451 5055 1 10 . 1 1 82 82 ASP N N 82 122.226 122.226 121.545 0.681 25451 5056 1 10 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.336 0.015 25451 5057 1 10 . 1 1 82 82 ASP C C 82 177.993 177.993 178.359 -0.366 25451 5058 1 10 . 1 1 82 82 ASP CA C 82 57.129 57.129 57.076 0.053 25451 5059 1 10 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.587 0.950 25451 5060 1 10 . 1 1 82 82 ASP H H 82 7.060 7.060 8.119 -1.059 25451 5061 1 10 . 1 1 83 83 LEU N N 83 121.542 121.542 120.906 0.636 25451 5062 1 10 . 1 1 83 83 LEU HA H 83 3.787 3.787 3.965 -0.178 25451 5063 1 10 . 1 1 83 83 LEU C C 83 177.957 177.957 178.382 -0.425 25451 5064 1 10 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.909 -0.046 25451 5065 1 10 . 1 1 83 83 LEU CB C 83 42.087 42.087 42.006 0.081 25451 5066 1 10 . 1 1 83 83 LEU H H 83 7.793 7.793 7.896 -0.103 25451 5067 1 10 . 1 1 84 84 GLU N N 84 117.702 117.702 118.619 -0.917 25451 5068 1 10 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.913 -0.093 25451 5069 1 10 . 1 1 84 84 GLU C C 84 179.161 179.161 178.925 0.236 25451 5070 1 10 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.361 0.337 25451 5071 1 10 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.308 0.214 25451 5072 1 10 . 1 1 84 84 GLU H H 84 8.432 8.432 8.347 0.085 25451 5073 1 10 . 1 1 85 85 ALA N N 85 122.903 122.903 123.008 -0.105 25451 5074 1 10 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.112 0.065 25451 5075 1 10 . 1 1 85 85 ALA C C 85 179.892 179.892 179.433 0.459 25451 5076 1 10 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.077 0.218 25451 5077 1 10 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.215 -0.433 25451 5078 1 10 . 1 1 85 85 ALA H H 85 7.890 7.890 8.100 -0.210 25451 5079 1 10 . 1 1 86 86 LEU N N 86 118.087 118.087 119.765 -1.678 25451 5080 1 10 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.906 0.113 25451 5081 1 10 . 1 1 86 86 LEU C C 86 179.764 179.764 178.790 0.974 25451 5082 1 10 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.559 0.122 25451 5083 1 10 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.381 1.440 25451 5084 1 10 . 1 1 86 86 LEU H H 86 7.567 7.567 7.971 -0.404 25451 5085 1 10 . 1 1 87 87 ASP N N 87 119.239 119.239 119.829 -0.590 25451 5086 1 10 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.359 0.142 25451 5087 1 10 . 1 1 87 87 ASP C C 87 179.563 179.563 179.144 0.419 25451 5088 1 10 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.132 -0.278 25451 5089 1 10 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.826 1.170 25451 5090 1 10 . 1 1 87 87 ASP H H 87 7.985 7.985 8.005 -0.020 25451 5091 1 10 . 1 1 88 88 LYS N N 88 121.741 121.741 119.703 2.038 25451 5092 1 10 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.132 -0.096 25451 5093 1 10 . 1 1 88 88 LYS C C 88 178.778 178.778 178.778 0.000 25451 5094 1 10 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.321 0.826 25451 5095 1 10 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.499 -0.317 25451 5096 1 10 . 1 1 88 88 LYS H H 88 8.461 8.461 7.590 0.871 25451 5097 1 10 . 1 1 89 89 GLU N N 89 115.496 115.496 116.250 -0.754 25451 5098 1 10 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.320 -0.010 25451 5099 1 10 . 1 1 89 89 GLU C C 89 176.806 176.806 176.711 0.095 25451 5100 1 10 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.219 -0.007 25451 5101 1 10 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.584 0.763 25451 5102 1 10 . 1 1 89 89 GLU H H 89 7.838 7.838 8.161 -0.323 25451 5103 1 10 . 1 1 90 90 GLY N N 90 108.622 108.622 107.513 1.109 25451 5104 1 10 . 1 1 90 90 GLY C C 90 175.985 175.985 175.345 0.640 25451 5105 1 10 . 1 1 90 90 GLY CA C 90 46.215 46.215 46.198 0.017 25451 5106 1 10 . 1 1 90 90 GLY H H 90 7.992 7.992 7.744 0.248 25451 5107 1 10 . 1 1 91 91 LYS N N 91 117.355 117.355 119.564 -2.209 25451 5108 1 10 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.292 0.034 25451 5109 1 10 . 1 1 91 91 LYS C C 91 177.518 177.518 176.972 0.546 25451 5110 1 10 . 1 1 91 91 LYS CA C 91 56.487 56.487 57.644 -1.157 25451 5111 1 10 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.824 2.293 25451 5112 1 10 . 1 1 91 91 LYS H H 91 8.047 8.047 7.742 0.305 25451 5113 1 10 . 1 1 92 92 LEU N N 92 121.641 121.641 120.199 1.442 25451 5114 1 10 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.193 -0.240 25451 5115 1 10 . 1 1 92 92 LEU C C 92 177.518 177.518 177.891 -0.373 25451 5116 1 10 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.221 0.275 25451 5117 1 10 . 1 1 92 92 LEU CB C 92 41.170 41.170 42.080 -0.910 25451 5118 1 10 . 1 1 92 92 LEU H H 92 7.582 7.582 7.533 0.049 25451 5119 1 10 . 1 1 93 93 ASP N N 93 118.032 118.032 119.818 -1.786 25451 5120 1 10 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.400 -0.182 25451 5121 1 10 . 1 1 93 93 ASP C C 93 179.344 179.344 178.350 0.994 25451 5122 1 10 . 1 1 93 93 ASP CA C 93 57.955 57.955 58.469 -0.514 25451 5123 1 10 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.251 -0.365 25451 5124 1 10 . 1 1 93 93 ASP H H 93 8.194 8.194 8.536 -0.342 25451 5125 1 10 . 1 1 94 94 GLY N N 94 107.012 107.012 107.864 -0.852 25451 5126 1 10 . 1 1 94 94 GLY C C 94 176.368 176.368 175.596 0.772 25451 5127 1 10 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.405 -0.007 25451 5128 1 10 . 1 1 94 94 GLY H H 94 8.271 8.271 7.728 0.543 25451 5129 1 10 . 1 1 95 95 LEU N N 95 120.472 120.472 121.596 -1.124 25451 5130 1 10 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.050 0.202 25451 5131 1 10 . 1 1 95 95 LEU C C 95 178.285 178.285 177.717 0.568 25451 5132 1 10 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.584 -0.097 25451 5133 1 10 . 1 1 95 95 LEU CB C 95 42.729 42.729 41.989 0.740 25451 5134 1 10 . 1 1 95 95 LEU H H 95 7.475 7.475 7.627 -0.152 25451 5135 1 10 . 1 1 96 96 LEU N N 96 116.181 116.181 116.554 -0.373 25451 5136 1 10 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.052 0.208 25451 5137 1 10 . 1 1 96 96 LEU C C 96 176.186 176.186 177.194 -1.008 25451 5138 1 10 . 1 1 96 96 LEU CA C 96 54.561 54.561 55.062 -0.501 25451 5139 1 10 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.012 1.259 25451 5140 1 10 . 1 1 96 96 LEU H H 96 7.394 7.394 7.486 -0.092 25451 5141 1 11 . 1 1 5 5 SER HA H 5 4.492 4.492 3.992 0.500 25451 5142 1 11 . 1 1 5 5 SER C C 5 176.496 176.496 176.124 0.372 25451 5143 1 11 . 1 1 5 5 SER CA C 5 59.422 59.422 60.930 -1.508 25451 5144 1 11 . 1 1 5 5 SER CB C 5 64.100 64.100 61.960 2.140 25451 5145 1 11 . 1 1 6 6 ILE N N 6 120.626 120.626 120.046 0.580 25451 5146 1 11 . 1 1 6 6 ILE HA H 6 3.811 3.811 4.048 -0.237 25451 5147 1 11 . 1 1 6 6 ILE C C 6 176.952 176.952 177.482 -0.530 25451 5148 1 11 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.213 0.887 25451 5149 1 11 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.573 -0.163 25451 5150 1 11 . 1 1 6 6 ILE H H 6 9.168 9.168 8.029 1.139 25451 5151 1 11 . 1 1 7 7 ALA N N 7 122.320 122.320 123.378 -1.058 25451 5152 1 11 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.861 0.033 25451 5153 1 11 . 1 1 7 7 ALA C C 7 179.837 179.837 179.176 0.661 25451 5154 1 11 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.990 0.213 25451 5155 1 11 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.922 0.226 25451 5156 1 11 . 1 1 7 7 ALA H H 7 7.882 7.882 7.896 -0.014 25451 5157 1 11 . 1 1 8 8 SER N N 8 110.329 110.329 113.518 -3.189 25451 5158 1 11 . 1 1 8 8 SER HA H 8 4.227 4.227 4.204 0.023 25451 5159 1 11 . 1 1 8 8 SER C C 8 177.409 177.409 176.960 0.449 25451 5160 1 11 . 1 1 8 8 SER CA C 8 60.156 60.156 60.558 -0.402 25451 5161 1 11 . 1 1 8 8 SER CB C 8 62.908 62.908 63.131 -0.223 25451 5162 1 11 . 1 1 8 8 SER H H 8 7.647 7.647 7.665 -0.018 25451 5163 1 11 . 1 1 9 9 MET N N 9 122.133 122.133 121.913 0.220 25451 5164 1 11 . 1 1 9 9 MET HA H 9 4.127 4.127 4.102 0.025 25451 5165 1 11 . 1 1 9 9 MET C C 9 180.841 180.841 178.453 2.388 25451 5166 1 11 . 1 1 9 9 MET CA C 9 59.147 59.147 58.764 0.383 25451 5167 1 11 . 1 1 9 9 MET CB C 9 35.025 35.025 32.497 2.528 25451 5168 1 11 . 1 1 9 9 MET H H 9 7.787 7.787 7.883 -0.096 25451 5169 1 11 . 1 1 10 10 ILE N N 10 115.009 115.009 116.626 -1.617 25451 5170 1 11 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.779 -0.017 25451 5171 1 11 . 1 1 10 10 ILE C C 10 174.981 174.981 177.121 -2.140 25451 5172 1 11 . 1 1 10 10 ILE CA C 10 65.293 65.293 62.574 2.719 25451 5173 1 11 . 1 1 10 10 ILE CB C 10 37.776 37.776 35.977 1.800 25451 5174 1 11 . 1 1 10 10 ILE H H 10 8.315 8.315 7.618 0.697 25451 5175 1 11 . 1 1 11 11 LYS N N 11 117.153 117.153 117.569 -0.416 25451 5176 1 11 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.304 0.205 25451 5177 1 11 . 1 1 11 11 LYS C C 11 177.774 177.774 178.131 -0.357 25451 5178 1 11 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.232 -1.753 25451 5179 1 11 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.498 -0.225 25451 5180 1 11 . 1 1 11 11 LYS H H 11 6.877 6.877 7.358 -0.481 25451 5181 1 11 . 1 1 12 12 GLY N N 12 106.134 106.134 107.691 -1.557 25451 5182 1 11 . 1 1 12 12 GLY C C 12 172.553 172.553 174.235 -1.682 25451 5183 1 11 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.211 1.095 25451 5184 1 11 . 1 1 12 12 GLY H H 12 7.757 7.757 7.913 -0.156 25451 5185 1 11 . 1 1 13 13 ASN N N 13 115.402 115.402 116.163 -0.761 25451 5186 1 11 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.884 -0.292 25451 5187 1 11 . 1 1 13 13 ASN C C 13 174.068 174.068 174.284 -0.216 25451 5188 1 11 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.197 -2.038 25451 5189 1 11 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.699 -0.804 25451 5190 1 11 . 1 1 13 13 ASN H H 13 7.214 7.214 7.355 -0.141 25451 5191 1 11 . 1 1 14 14 LYS N N 14 122.033 122.033 120.861 1.172 25451 5192 1 11 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.422 -0.353 25451 5193 1 11 . 1 1 14 14 LYS C C 14 176.533 176.533 176.242 0.291 25451 5194 1 11 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.490 1.483 25451 5195 1 11 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.450 -1.910 25451 5196 1 11 . 1 1 14 14 LYS H H 14 8.351 8.351 8.245 0.106 25451 5197 1 11 . 1 1 15 15 VAL N N 15 117.450 117.450 116.324 1.126 25451 5198 1 11 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.134 -0.110 25451 5199 1 11 . 1 1 15 15 VAL C C 15 174.543 174.543 174.771 -0.228 25451 5200 1 11 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.159 0.181 25451 5201 1 11 . 1 1 15 15 VAL CB C 15 32.732 32.732 34.118 -1.387 25451 5202 1 11 . 1 1 15 15 VAL H H 15 8.021 8.021 8.144 -0.123 25451 5203 1 11 . 1 1 16 16 VAL N N 16 128.604 128.604 126.873 1.731 25451 5204 1 11 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.008 -0.117 25451 5205 1 11 . 1 1 16 16 VAL C C 16 173.922 173.922 174.398 -0.476 25451 5206 1 11 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.721 0.628 25451 5207 1 11 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.099 0.109 25451 5208 1 11 . 1 1 16 16 VAL H H 16 8.909 8.909 9.173 -0.264 25451 5209 1 11 . 1 1 17 17 VAL N N 17 126.814 126.814 125.154 1.660 25451 5210 1 11 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.072 -0.057 25451 5211 1 11 . 1 1 17 17 VAL C C 17 173.593 173.593 174.402 -0.809 25451 5212 1 11 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.311 -0.430 25451 5213 1 11 . 1 1 17 17 VAL CB C 17 35.483 35.483 36.289 -0.806 25451 5214 1 11 . 1 1 17 17 VAL H H 17 8.359 8.359 8.863 -0.504 25451 5215 1 11 . 1 1 18 18 PHE N N 18 125.697 125.697 124.686 1.011 25451 5216 1 11 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.308 0.106 25451 5217 1 11 . 1 1 18 18 PHE C C 18 175.364 175.364 175.398 -0.034 25451 5218 1 11 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.680 0.449 25451 5219 1 11 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.322 -1.986 25451 5220 1 11 . 1 1 18 18 PHE H H 18 9.015 9.015 8.704 0.311 25451 5221 1 11 . 1 1 19 19 SER N N 19 120.570 120.570 116.674 3.896 25451 5222 1 11 . 1 1 19 19 SER HA H 19 5.215 5.215 5.080 0.135 25451 5223 1 11 . 1 1 19 19 SER C C 19 173.539 173.539 173.430 0.109 25451 5224 1 11 . 1 1 19 19 SER CA C 19 57.863 57.863 57.268 0.595 25451 5225 1 11 . 1 1 19 19 SER CB C 19 69.512 69.512 66.843 2.669 25451 5226 1 11 . 1 1 19 19 SER H H 19 9.137 9.137 9.150 -0.013 25451 5227 1 11 . 1 1 20 20 TRP N N 20 122.520 122.520 122.506 0.014 25451 5228 1 11 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.013 0.932 25451 5229 1 11 . 1 1 20 20 TRP C C 20 178.030 178.030 175.583 2.447 25451 5230 1 11 . 1 1 20 20 TRP CA C 20 54.011 54.011 56.498 -2.487 25451 5231 1 11 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.791 1.399 25451 5232 1 11 . 1 1 20 20 TRP H H 20 8.520 8.520 8.385 0.135 25451 5233 1 11 . 1 1 21 21 VAL N N 21 124.864 124.864 121.783 3.081 25451 5234 1 11 . 1 1 21 21 VAL C C 21 177.208 177.208 175.869 1.339 25451 5235 1 11 . 1 1 21 21 VAL CA C 21 65.384 65.384 61.774 3.610 25451 5236 1 11 . 1 1 21 21 VAL CB C 21 32.273 32.273 31.765 0.508 25451 5237 1 11 . 1 1 21 21 VAL H H 21 9.956 9.956 8.039 1.917 25451 5238 1 11 . 1 1 22 22 THR HA H 22 4.542 4.542 4.619 -0.077 25451 5239 1 11 . 1 1 22 22 THR C C 22 174.269 174.269 173.450 0.819 25451 5240 1 11 . 1 1 22 22 THR CA C 22 60.982 60.982 61.132 -0.150 25451 5241 1 11 . 1 1 22 22 THR CB C 22 69.237 69.237 70.337 -1.100 25451 5242 1 11 . 1 1 23 23 CYS N N 23 127.689 127.689 125.504 2.185 25451 5243 1 11 . 1 1 23 23 CYS C C 23 175.054 175.054 173.658 1.396 25451 5244 1 11 . 1 1 23 23 CYS CA C 23 56.396 56.396 56.831 -0.435 25451 5245 1 11 . 1 1 23 23 CYS CB C 23 32.273 32.273 30.380 1.893 25451 5246 1 11 . 1 1 23 23 CYS H H 23 7.013 7.013 8.781 -1.768 25451 5247 1 11 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.233 0.068 25451 5248 1 11 . 1 1 24 24 PRO C C 24 180.202 180.202 177.118 3.084 25451 5249 1 11 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.623 -0.156 25451 5250 1 11 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.811 0.371 25451 5251 1 11 . 1 1 25 25 TYR N N 25 126.810 126.810 116.026 10.784 25451 5252 1 11 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.480 -0.170 25451 5253 1 11 . 1 1 25 25 TYR C C 25 178.632 178.632 178.321 0.311 25451 5254 1 11 . 1 1 25 25 TYR CA C 25 61.715 61.715 59.039 2.676 25451 5255 1 11 . 1 1 25 25 TYR CB C 25 37.776 37.776 38.003 -0.227 25451 5256 1 11 . 1 1 25 25 TYR H H 25 9.569 9.569 7.998 1.571 25451 5257 1 11 . 1 1 26 26 CYS N N 26 127.984 127.984 118.615 9.369 25451 5258 1 11 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.189 -0.170 25451 5259 1 11 . 1 1 26 26 CYS C C 26 176.642 176.642 177.068 -0.426 25451 5260 1 11 . 1 1 26 26 CYS CA C 26 64.559 64.559 63.875 0.684 25451 5261 1 11 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.775 1.463 25451 5262 1 11 . 1 1 26 26 CYS H H 26 9.239 9.239 8.048 1.191 25451 5263 1 11 . 1 1 27 27 VAL N N 27 121.054 121.054 120.672 0.382 25451 5264 1 11 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.579 0.008 25451 5265 1 11 . 1 1 27 27 VAL C C 27 178.614 178.614 176.993 1.621 25451 5266 1 11 . 1 1 27 27 VAL CA C 27 66.760 66.760 67.159 -0.399 25451 5267 1 11 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.860 0.230 25451 5268 1 11 . 1 1 27 27 VAL H H 27 8.402 8.402 7.722 0.680 25451 5269 1 11 . 1 1 28 28 ARG N N 28 119.686 119.686 118.678 1.008 25451 5270 1 11 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.956 0.005 25451 5271 1 11 . 1 1 28 28 ARG C C 28 178.742 178.742 178.512 0.230 25451 5272 1 11 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.586 0.020 25451 5273 1 11 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.815 0.807 25451 5274 1 11 . 1 1 28 28 ARG H H 28 7.655 7.655 8.249 -0.594 25451 5275 1 11 . 1 1 29 29 ALA N N 29 122.324 122.324 122.599 -0.275 25451 5276 1 11 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.102 -0.091 25451 5277 1 11 . 1 1 29 29 ALA C C 29 178.906 178.906 179.329 -0.423 25451 5278 1 11 . 1 1 29 29 ALA CA C 29 55.112 55.112 54.921 0.191 25451 5279 1 11 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.497 0.110 25451 5280 1 11 . 1 1 29 29 ALA H H 29 8.175 8.175 7.648 0.527 25451 5281 1 11 . 1 1 30 30 GLU N N 30 117.151 117.151 118.537 -1.386 25451 5282 1 11 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.963 -0.426 25451 5283 1 11 . 1 1 30 30 GLU C C 30 178.030 178.030 179.282 -1.252 25451 5284 1 11 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.567 1.048 25451 5285 1 11 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.521 0.000 25451 5286 1 11 . 1 1 30 30 GLU H H 30 8.689 8.689 8.512 0.177 25451 5287 1 11 . 1 1 31 31 LYS N N 31 119.597 119.597 119.797 -0.200 25451 5288 1 11 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.128 -0.092 25451 5289 1 11 . 1 1 31 31 LYS C C 31 179.746 179.746 178.793 0.953 25451 5290 1 11 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.174 0.615 25451 5291 1 11 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.679 -0.131 25451 5292 1 11 . 1 1 31 31 LYS H H 31 8.359 8.359 8.283 0.076 25451 5293 1 11 . 1 1 32 32 LEU N N 32 121.147 121.147 121.291 -0.144 25451 5294 1 11 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.101 -0.049 25451 5295 1 11 . 1 1 32 32 LEU C C 32 179.198 179.198 178.979 0.219 25451 5296 1 11 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.675 0.831 25451 5297 1 11 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.265 0.914 25451 5298 1 11 . 1 1 32 32 LEU H H 32 7.610 7.610 7.489 0.121 25451 5299 1 11 . 1 1 33 33 LEU N N 33 118.120 118.120 118.601 -0.481 25451 5300 1 11 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.783 -0.021 25451 5301 1 11 . 1 1 33 33 LEU C C 33 179.234 179.234 178.850 0.384 25451 5302 1 11 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.460 -0.046 25451 5303 1 11 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.401 1.053 25451 5304 1 11 . 1 1 33 33 LEU H H 33 7.904 7.904 8.544 -0.640 25451 5305 1 11 . 1 1 34 34 HIS N N 34 117.939 117.939 117.378 0.561 25451 5306 1 11 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.359 0.275 25451 5307 1 11 . 1 1 34 34 HIS C C 34 176.879 176.879 178.030 -1.151 25451 5308 1 11 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.547 -0.125 25451 5309 1 11 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.905 0.167 25451 5310 1 11 . 1 1 34 34 HIS H H 34 8.876 8.876 7.766 1.110 25451 5311 1 11 . 1 1 35 35 ALA N N 35 118.133 118.133 123.044 -4.911 25451 5312 1 11 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.201 0.084 25451 5313 1 11 . 1 1 35 35 ALA C C 35 178.395 178.395 179.028 -0.633 25451 5314 1 11 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.645 -1.460 25451 5315 1 11 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.748 -0.233 25451 5316 1 11 . 1 1 35 35 ALA H H 35 7.229 7.229 8.073 -0.844 25451 5317 1 11 . 1 1 36 36 ARG N N 36 115.692 115.692 116.605 -0.913 25451 5318 1 11 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.533 -0.091 25451 5319 1 11 . 1 1 36 36 ARG C C 36 175.693 175.693 175.059 0.634 25451 5320 1 11 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.295 0.450 25451 5321 1 11 . 1 1 36 36 ARG CB C 36 32.548 32.548 29.618 2.930 25451 5322 1 11 . 1 1 36 36 ARG H H 36 7.647 7.647 8.000 -0.353 25451 5323 1 11 . 1 1 37 37 THR N N 37 114.964 114.964 110.122 4.842 25451 5324 1 11 . 1 1 37 37 THR HA H 37 4.651 4.651 3.789 0.862 25451 5325 1 11 . 1 1 37 37 THR C C 37 170.636 170.636 173.584 -2.948 25451 5326 1 11 . 1 1 37 37 THR CA C 37 60.523 60.523 63.288 -2.765 25451 5327 1 11 . 1 1 37 37 THR CB C 37 68.870 68.870 67.111 1.759 25451 5328 1 11 . 1 1 37 37 THR H H 37 8.087 8.087 7.637 0.450 25451 5329 1 11 . 1 1 38 38 LYS N N 38 121.835 121.835 121.616 0.219 25451 5330 1 11 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.199 0.468 25451 5331 1 11 . 1 1 38 38 LYS C C 38 178.139 178.139 175.976 2.163 25451 5332 1 11 . 1 1 38 38 LYS CA C 38 55.295 55.295 54.855 0.440 25451 5333 1 11 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.008 0.724 25451 5334 1 11 . 1 1 38 38 LYS H H 38 8.299 8.299 7.900 0.399 25451 5335 1 11 . 1 1 39 39 ASP N N 39 128.517 128.517 125.713 2.804 25451 5336 1 11 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.400 0.483 25451 5337 1 11 . 1 1 39 39 ASP C C 39 172.754 172.754 174.838 -2.084 25451 5338 1 11 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.905 -0.802 25451 5339 1 11 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.830 0.157 25451 5340 1 11 . 1 1 39 39 ASP H H 39 8.823 8.823 8.547 0.276 25451 5341 1 11 . 1 1 40 40 ILE N N 40 116.959 116.959 125.228 -8.269 25451 5342 1 11 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.850 0.423 25451 5343 1 11 . 1 1 40 40 ILE C C 40 174.470 174.470 174.556 -0.086 25451 5344 1 11 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.175 -2.137 25451 5345 1 11 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.551 0.169 25451 5346 1 11 . 1 1 40 40 ILE H H 40 7.273 7.273 7.658 -0.385 25451 5347 1 11 . 1 1 41 41 THR N N 41 125.545 125.545 124.222 1.323 25451 5348 1 11 . 1 1 41 41 THR HA H 41 4.260 4.260 4.750 -0.490 25451 5349 1 11 . 1 1 41 41 THR C C 41 171.476 171.476 172.339 -0.863 25451 5350 1 11 . 1 1 41 41 THR CA C 41 61.807 61.807 61.246 0.561 25451 5351 1 11 . 1 1 41 41 THR CB C 41 72.172 72.172 70.998 1.174 25451 5352 1 11 . 1 1 41 41 THR H H 41 8.564 8.564 8.669 -0.105 25451 5353 1 11 . 1 1 42 42 VAL N N 42 126.913 126.913 125.882 1.031 25451 5354 1 11 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.758 -0.515 25451 5355 1 11 . 1 1 42 42 VAL C C 42 174.086 174.086 174.043 0.043 25451 5356 1 11 . 1 1 42 42 VAL CA C 42 60.248 60.248 58.928 1.321 25451 5357 1 11 . 1 1 42 42 VAL CB C 42 32.824 32.824 33.902 -1.078 25451 5358 1 11 . 1 1 42 42 VAL H H 42 8.271 8.271 8.481 -0.210 25451 5359 1 11 . 1 1 43 43 HIS N N 43 127.392 127.392 128.303 -0.911 25451 5360 1 11 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.730 -0.163 25451 5361 1 11 . 1 1 43 43 HIS C C 43 174.543 174.543 173.373 1.170 25451 5362 1 11 . 1 1 43 43 HIS CA C 43 54.103 54.103 53.924 0.179 25451 5363 1 11 . 1 1 43 43 HIS CB C 43 31.815 31.815 32.154 -0.339 25451 5364 1 11 . 1 1 43 43 HIS H H 43 8.829 8.829 8.832 -0.003 25451 5365 1 11 . 1 1 44 44 TYR N N 44 126.221 126.221 128.034 -1.813 25451 5366 1 11 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.939 0.267 25451 5367 1 11 . 1 1 44 44 TYR C C 44 177.865 177.865 176.477 1.388 25451 5368 1 11 . 1 1 44 44 TYR CA C 44 57.313 57.313 55.796 1.517 25451 5369 1 11 . 1 1 44 44 TYR CB C 44 35.850 35.850 36.338 -0.488 25451 5370 1 11 . 1 1 44 44 TYR H H 44 8.938 8.938 8.953 -0.015 25451 5371 1 11 . 1 1 45 45 VAL N N 45 120.086 120.086 120.975 -0.889 25451 5372 1 11 . 1 1 45 45 VAL HA H 45 4.351 4.351 3.528 0.823 25451 5373 1 11 . 1 1 45 45 VAL C C 45 176.952 176.952 177.281 -0.329 25451 5374 1 11 . 1 1 45 45 VAL CA C 45 63.917 63.917 64.938 -1.021 25451 5375 1 11 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.657 -0.393 25451 5376 1 11 . 1 1 45 45 VAL H H 45 9.037 9.037 7.820 1.217 25451 5377 1 11 . 1 1 46 46 ASP N N 46 118.427 118.427 120.184 -1.757 25451 5378 1 11 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.297 0.112 25451 5379 1 11 . 1 1 46 46 ASP C C 46 176.989 176.989 177.547 -0.558 25451 5380 1 11 . 1 1 46 46 ASP CA C 46 54.745 54.745 56.264 -1.519 25451 5381 1 11 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.441 -3.582 25451 5382 1 11 . 1 1 46 46 ASP H H 46 10.711 10.711 8.339 2.372 25451 5383 1 11 . 1 1 47 47 LYS N N 47 119.396 119.396 116.763 2.633 25451 5384 1 11 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.213 0.329 25451 5385 1 11 . 1 1 47 47 LYS C C 47 176.350 176.350 176.729 -0.379 25451 5386 1 11 . 1 1 47 47 LYS CA C 47 55.020 55.020 57.190 -2.170 25451 5387 1 11 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.163 -0.522 25451 5388 1 11 . 1 1 47 47 LYS H H 47 7.801 7.801 7.973 -0.172 25451 5389 1 11 . 1 1 48 48 MET N N 48 118.957 118.957 116.511 2.446 25451 5390 1 11 . 1 1 48 48 MET C C 48 177.500 177.500 176.872 0.628 25451 5391 1 11 . 1 1 48 48 MET CA C 48 54.928 54.928 55.051 -0.123 25451 5392 1 11 . 1 1 48 48 MET CB C 48 36.492 36.492 35.867 0.625 25451 5393 1 11 . 1 1 48 48 MET H H 48 7.331 7.331 7.493 -0.162 25451 5394 1 11 . 1 1 49 49 SER HA H 49 4.260 4.260 4.158 0.102 25451 5395 1 11 . 1 1 49 49 SER C C 49 176.898 176.898 176.384 0.514 25451 5396 1 11 . 1 1 49 49 SER CA C 49 61.899 61.899 61.630 0.269 25451 5397 1 11 . 1 1 50 50 GLU N N 50 121.350 121.350 121.847 -0.497 25451 5398 1 11 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.212 0.538 25451 5399 1 11 . 1 1 50 50 GLU C C 50 176.971 176.971 178.854 -1.883 25451 5400 1 11 . 1 1 50 50 GLU CA C 50 56.487 56.487 58.171 -1.684 25451 5401 1 11 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.200 -0.962 25451 5402 1 11 . 1 1 50 50 GLU H H 50 10.024 10.024 8.709 1.315 25451 5403 1 11 . 1 1 51 51 GLY N N 51 109.546 109.546 108.093 1.453 25451 5404 1 11 . 1 1 51 51 GLY C C 51 175.602 175.602 175.565 0.037 25451 5405 1 11 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.021 1.854 25451 5406 1 11 . 1 1 51 51 GLY H H 51 8.124 8.124 8.220 -0.096 25451 5407 1 11 . 1 1 52 52 GLU N N 52 120.614 120.614 121.454 -0.840 25451 5408 1 11 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.009 0.193 25451 5409 1 11 . 1 1 52 52 GLU C C 52 180.056 180.056 178.515 1.541 25451 5410 1 11 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.202 0.220 25451 5411 1 11 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.606 -0.635 25451 5412 1 11 . 1 1 52 52 GLU H H 52 8.821 8.821 7.790 1.031 25451 5413 1 11 . 1 1 53 53 GLN N N 53 123.591 123.591 119.935 3.656 25451 5414 1 11 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.161 -0.017 25451 5415 1 11 . 1 1 53 53 GLN C C 53 179.600 179.600 178.331 1.269 25451 5416 1 11 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.281 0.775 25451 5417 1 11 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.234 -0.547 25451 5418 1 11 . 1 1 53 53 GLN H H 53 8.117 8.117 7.974 0.143 25451 5419 1 11 . 1 1 54 54 LEU N N 54 120.960 120.960 119.820 1.140 25451 5420 1 11 . 1 1 54 54 LEU HA H 54 4.011 4.011 4.017 -0.006 25451 5421 1 11 . 1 1 54 54 LEU C C 54 179.417 179.417 179.284 0.133 25451 5422 1 11 . 1 1 54 54 LEU CA C 54 57.863 57.863 57.232 0.631 25451 5423 1 11 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.688 -0.252 25451 5424 1 11 . 1 1 54 54 LEU H H 54 8.249 8.249 7.897 0.352 25451 5425 1 11 . 1 1 55 55 ARG N N 55 118.038 118.038 119.248 -1.210 25451 5426 1 11 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.957 -0.162 25451 5427 1 11 . 1 1 55 55 ARG C C 55 180.439 180.439 179.058 1.381 25451 5428 1 11 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.772 0.844 25451 5429 1 11 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.952 -0.430 25451 5430 1 11 . 1 1 55 55 ARG H H 55 8.402 8.402 8.487 -0.085 25451 5431 1 11 . 1 1 56 56 GLY N N 56 110.675 110.675 107.740 2.935 25451 5432 1 11 . 1 1 56 56 GLY C C 56 176.350 176.350 176.284 0.066 25451 5433 1 11 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.132 0.092 25451 5434 1 11 . 1 1 56 56 GLY H H 56 8.376 8.376 8.181 0.195 25451 5435 1 11 . 1 1 57 57 GLU N N 57 124.469 124.469 121.357 3.112 25451 5436 1 11 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.018 0.059 25451 5437 1 11 . 1 1 57 57 GLU C C 57 180.184 180.184 179.370 0.814 25451 5438 1 11 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.739 0.867 25451 5439 1 11 . 1 1 57 57 GLU CB C 57 29.980 29.980 28.981 0.999 25451 5440 1 11 . 1 1 57 57 GLU H H 57 8.146 8.146 8.379 -0.233 25451 5441 1 11 . 1 1 58 58 ILE N N 58 121.352 121.352 120.178 1.174 25451 5442 1 11 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.862 -0.175 25451 5443 1 11 . 1 1 58 58 ILE C C 58 178.030 178.030 177.794 0.236 25451 5444 1 11 . 1 1 58 58 ILE CA C 58 65.568 65.568 64.897 0.671 25451 5445 1 11 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.797 0.529 25451 5446 1 11 . 1 1 58 58 ILE H H 58 8.201 8.201 7.217 0.984 25451 5447 1 11 . 1 1 59 59 TYR N N 59 121.934 121.934 121.177 0.757 25451 5448 1 11 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.354 -0.219 25451 5449 1 11 . 1 1 59 59 TYR C C 59 178.322 178.322 178.447 -0.125 25451 5450 1 11 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.766 0.225 25451 5451 1 11 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.773 -0.813 25451 5452 1 11 . 1 1 59 59 TYR H H 59 8.256 8.256 8.432 -0.176 25451 5453 1 11 . 1 1 60 60 GLN N N 60 119.694 119.694 117.762 1.932 25451 5454 1 11 . 1 1 60 60 GLN HA H 60 3.679 3.679 4.063 -0.384 25451 5455 1 11 . 1 1 60 60 GLN C C 60 177.336 177.336 177.482 -0.146 25451 5456 1 11 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.589 0.191 25451 5457 1 11 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.243 0.270 25451 5458 1 11 . 1 1 60 60 GLN H H 60 8.512 8.512 8.578 -0.066 25451 5459 1 11 . 1 1 61 61 ALA N N 61 117.444 117.444 120.542 -3.098 25451 5460 1 11 . 1 1 61 61 ALA HA H 61 3.969 3.969 4.016 -0.047 25451 5461 1 11 . 1 1 61 61 ALA C C 61 179.180 179.180 178.039 1.141 25451 5462 1 11 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.662 0.074 25451 5463 1 11 . 1 1 61 61 ALA CB C 61 19.157 19.157 19.005 0.152 25451 5464 1 11 . 1 1 61 61 ALA H H 61 7.749 7.749 7.629 0.120 25451 5465 1 11 . 1 1 62 62 TYR N N 62 113.265 113.265 115.163 -1.898 25451 5466 1 11 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.513 0.012 25451 5467 1 11 . 1 1 62 62 TYR C C 62 175.036 175.036 175.036 0.000 25451 5468 1 11 . 1 1 62 62 TYR CA C 62 57.313 57.313 57.541 -0.228 25451 5469 1 11 . 1 1 62 62 TYR CB C 62 38.969 38.969 39.350 -0.381 25451 5470 1 11 . 1 1 62 62 TYR H H 62 7.801 7.801 8.203 -0.402 25451 5471 1 11 . 1 1 63 63 LYS N N 63 117.584 117.584 115.930 1.654 25451 5472 1 11 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.990 0.514 25451 5473 1 11 . 1 1 63 63 LYS C C 63 173.812 173.812 173.580 0.232 25451 5474 1 11 . 1 1 63 63 LYS CA C 63 56.671 56.671 57.003 -0.332 25451 5475 1 11 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.023 -0.510 25451 5476 1 11 . 1 1 63 63 LYS H H 63 8.098 8.098 7.806 0.292 25451 5477 1 11 . 1 1 64 64 HIS N N 64 118.618 118.618 114.533 4.085 25451 5478 1 11 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.706 0.251 25451 5479 1 11 . 1 1 64 64 HIS C C 64 175.985 175.985 174.425 1.560 25451 5480 1 11 . 1 1 64 64 HIS CA C 64 55.754 55.754 55.108 0.646 25451 5481 1 11 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.642 1.291 25451 5482 1 11 . 1 1 64 64 HIS H H 64 6.524 6.524 7.184 -0.660 25451 5483 1 11 . 1 1 65 65 GLU N N 65 126.723 126.723 118.748 7.975 25451 5484 1 11 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.561 -0.168 25451 5485 1 11 . 1 1 65 65 GLU C C 65 175.346 175.346 175.970 -0.624 25451 5486 1 11 . 1 1 65 65 GLU CA C 65 56.946 56.946 56.755 0.191 25451 5487 1 11 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.274 0.998 25451 5488 1 11 . 1 1 65 65 GLU H H 65 9.188 9.188 8.668 0.520 25451 5489 1 11 . 1 1 66 66 THR N N 66 108.043 108.043 113.131 -5.088 25451 5490 1 11 . 1 1 66 66 THR HA H 66 4.393 4.393 4.714 -0.321 25451 5491 1 11 . 1 1 66 66 THR C C 66 174.579 174.579 173.230 1.349 25451 5492 1 11 . 1 1 66 66 THR CA C 66 59.698 59.698 62.348 -2.650 25451 5493 1 11 . 1 1 66 66 THR CB C 66 71.071 71.071 71.621 -0.550 25451 5494 1 11 . 1 1 66 66 THR H H 66 6.296 6.296 7.693 -1.397 25451 5495 1 11 . 1 1 67 67 VAL N N 67 112.473 112.473 118.152 -5.679 25451 5496 1 11 . 1 1 67 67 VAL C C 67 173.027 173.027 174.477 -1.450 25451 5497 1 11 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.171 -4.124 25451 5498 1 11 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.565 0.617 25451 5499 1 11 . 1 1 67 67 VAL H H 67 7.688 7.688 8.613 -0.925 25451 5500 1 11 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.439 0.991 25451 5501 1 11 . 1 1 68 68 PRO C C 68 176.405 176.405 175.418 0.987 25451 5502 1 11 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.787 -0.980 25451 5503 1 11 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.286 2.555 25451 5504 1 11 . 1 1 69 69 ALA N N 69 124.309 124.309 120.844 3.465 25451 5505 1 11 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.626 0.182 25451 5506 1 11 . 1 1 69 69 ALA C C 69 175.273 175.273 176.344 -1.071 25451 5507 1 11 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.386 -0.035 25451 5508 1 11 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.504 1.221 25451 5509 1 11 . 1 1 69 69 ALA H H 69 8.952 8.952 7.862 1.090 25451 5510 1 11 . 1 1 70 70 ILE N N 70 124.569 124.569 122.296 2.273 25451 5511 1 11 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.832 -0.282 25451 5512 1 11 . 1 1 70 70 ILE C C 70 172.553 172.553 174.204 -1.651 25451 5513 1 11 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.263 1.819 25451 5514 1 11 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.047 -0.978 25451 5515 1 11 . 1 1 70 70 ILE H H 70 8.447 8.447 7.956 0.491 25451 5516 1 11 . 1 1 71 71 PHE N N 71 127.490 127.490 124.484 3.006 25451 5517 1 11 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.560 -0.337 25451 5518 1 11 . 1 1 71 71 PHE C C 71 174.798 174.798 174.812 -0.014 25451 5519 1 11 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.233 -0.112 25451 5520 1 11 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.146 -1.059 25451 5521 1 11 . 1 1 71 71 PHE H H 71 9.219 9.219 9.250 -0.031 25451 5522 1 11 . 1 1 72 72 ILE N N 72 118.614 118.614 122.486 -3.872 25451 5523 1 11 . 1 1 72 72 ILE HA H 72 5.107 5.107 4.940 0.167 25451 5524 1 11 . 1 1 72 72 ILE C C 72 177.518 177.518 176.100 1.418 25451 5525 1 11 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.504 0.019 25451 5526 1 11 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.128 0.859 25451 5527 1 11 . 1 1 72 72 ILE H H 72 8.715 8.715 9.099 -0.384 25451 5528 1 11 . 1 1 73 73 ASN N N 73 129.431 129.431 127.238 2.193 25451 5529 1 11 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.391 0.276 25451 5530 1 11 . 1 1 73 73 ASN C C 73 175.273 175.273 175.912 -0.639 25451 5531 1 11 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.480 0.081 25451 5532 1 11 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.873 0.445 25451 5533 1 11 . 1 1 73 73 ASN H H 73 10.691 10.691 9.563 1.128 25451 5534 1 11 . 1 1 74 74 GLY N N 74 104.235 104.235 103.115 1.120 25451 5535 1 11 . 1 1 74 74 GLY C C 74 172.754 172.754 174.337 -1.583 25451 5536 1 11 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.550 -0.528 25451 5537 1 11 . 1 1 74 74 GLY H H 74 9.529 9.529 8.947 0.582 25451 5538 1 11 . 1 1 75 75 ASN N N 75 119.009 119.009 120.654 -1.645 25451 5539 1 11 . 1 1 75 75 ASN HA H 75 5.098 5.098 4.879 0.219 25451 5540 1 11 . 1 1 75 75 ASN C C 75 174.269 174.269 174.120 0.149 25451 5541 1 11 . 1 1 75 75 ASN CA C 75 51.626 51.626 53.308 -1.682 25451 5542 1 11 . 1 1 75 75 ASN CB C 75 39.978 39.978 39.389 0.589 25451 5543 1 11 . 1 1 75 75 ASN H H 75 8.116 8.116 8.103 0.013 25451 5544 1 11 . 1 1 76 76 PHE N N 76 124.901 124.901 126.156 -1.255 25451 5545 1 11 . 1 1 76 76 PHE HA H 76 3.654 3.654 5.043 -1.389 25451 5546 1 11 . 1 1 76 76 PHE C C 76 175.273 175.273 174.790 0.483 25451 5547 1 11 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.137 1.726 25451 5548 1 11 . 1 1 76 76 PHE CB C 76 38.877 38.877 40.542 -1.665 25451 5549 1 11 . 1 1 76 76 PHE H H 76 9.004 9.004 8.623 0.381 25451 5550 1 11 . 1 1 77 77 ILE N N 77 126.459 126.459 123.717 2.742 25451 5551 1 11 . 1 1 77 77 ILE C C 77 174.506 174.506 172.549 1.957 25451 5552 1 11 . 1 1 77 77 ILE CA C 77 58.505 58.505 58.243 0.262 25451 5553 1 11 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.481 -4.071 25451 5554 1 11 . 1 1 77 77 ILE H H 77 8.161 8.161 8.169 -0.008 25451 5555 1 11 . 1 1 78 78 GLY C C 78 172.005 172.005 173.461 -1.456 25451 5556 1 11 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.848 -0.293 25451 5557 1 11 . 1 1 79 79 GLY N N 79 109.745 109.745 113.003 -3.258 25451 5558 1 11 . 1 1 79 79 GLY C C 79 174.981 174.981 174.868 0.113 25451 5559 1 11 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.314 -0.851 25451 5560 1 11 . 1 1 79 79 GLY H H 79 9.114 9.114 7.578 1.536 25451 5561 1 11 . 1 1 80 80 CYS N N 80 120.764 120.764 120.949 -0.185 25451 5562 1 11 . 1 1 80 80 CYS C C 80 176.533 176.533 176.440 0.093 25451 5563 1 11 . 1 1 80 80 CYS CA C 80 63.825 63.825 62.772 1.053 25451 5564 1 11 . 1 1 80 80 CYS CB C 80 26.770 26.770 26.936 -0.166 25451 5565 1 11 . 1 1 80 80 CYS H H 80 8.571 8.571 8.724 -0.153 25451 5566 1 11 . 1 1 81 81 SER HA H 81 3.903 3.903 4.129 -0.226 25451 5567 1 11 . 1 1 81 81 SER C C 81 177.318 177.318 175.625 1.693 25451 5568 1 11 . 1 1 81 81 SER CA C 81 61.440 61.440 62.444 -1.004 25451 5569 1 11 . 1 1 82 82 ASP N N 82 122.226 122.226 122.284 -0.058 25451 5570 1 11 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.391 -0.040 25451 5571 1 11 . 1 1 82 82 ASP C C 82 177.993 177.993 177.997 -0.004 25451 5572 1 11 . 1 1 82 82 ASP CA C 82 57.129 57.129 56.537 0.592 25451 5573 1 11 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.587 0.950 25451 5574 1 11 . 1 1 82 82 ASP H H 82 7.060 7.060 7.910 -0.850 25451 5575 1 11 . 1 1 83 83 LEU N N 83 121.542 121.542 120.601 0.941 25451 5576 1 11 . 1 1 83 83 LEU HA H 83 3.787 3.787 3.985 -0.198 25451 5577 1 11 . 1 1 83 83 LEU C C 83 177.957 177.957 178.348 -0.391 25451 5578 1 11 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.925 -0.062 25451 5579 1 11 . 1 1 83 83 LEU CB C 83 42.087 42.087 41.993 0.094 25451 5580 1 11 . 1 1 83 83 LEU H H 83 7.793 7.793 7.628 0.165 25451 5581 1 11 . 1 1 84 84 GLU N N 84 117.702 117.702 118.610 -0.908 25451 5582 1 11 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.908 -0.088 25451 5583 1 11 . 1 1 84 84 GLU C C 84 179.161 179.161 178.804 0.357 25451 5584 1 11 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.202 0.496 25451 5585 1 11 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.316 0.206 25451 5586 1 11 . 1 1 84 84 GLU H H 84 8.432 8.432 7.806 0.626 25451 5587 1 11 . 1 1 85 85 ALA N N 85 122.903 122.903 122.137 0.766 25451 5588 1 11 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.009 0.168 25451 5589 1 11 . 1 1 85 85 ALA C C 85 179.892 179.892 179.132 0.760 25451 5590 1 11 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.203 0.092 25451 5591 1 11 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.314 -0.533 25451 5592 1 11 . 1 1 85 85 ALA H H 85 7.890 7.890 8.142 -0.252 25451 5593 1 11 . 1 1 86 86 LEU N N 86 118.087 118.087 117.781 0.306 25451 5594 1 11 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.882 0.137 25451 5595 1 11 . 1 1 86 86 LEU C C 86 179.764 179.764 178.830 0.934 25451 5596 1 11 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.379 0.301 25451 5597 1 11 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.261 1.560 25451 5598 1 11 . 1 1 86 86 LEU H H 86 7.567 7.567 7.631 -0.064 25451 5599 1 11 . 1 1 87 87 ASP N N 87 119.239 119.239 119.536 -0.297 25451 5600 1 11 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.445 0.056 25451 5601 1 11 . 1 1 87 87 ASP C C 87 179.563 179.563 178.974 0.589 25451 5602 1 11 . 1 1 87 87 ASP CA C 87 56.854 56.854 56.982 -0.128 25451 5603 1 11 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.784 1.212 25451 5604 1 11 . 1 1 87 87 ASP H H 87 7.985 7.985 7.595 0.390 25451 5605 1 11 . 1 1 88 88 LYS N N 88 121.741 121.741 119.850 1.891 25451 5606 1 11 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.129 -0.093 25451 5607 1 11 . 1 1 88 88 LYS C C 88 178.778 178.778 178.551 0.227 25451 5608 1 11 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.402 0.745 25451 5609 1 11 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.546 -0.364 25451 5610 1 11 . 1 1 88 88 LYS H H 88 8.461 8.461 7.928 0.533 25451 5611 1 11 . 1 1 89 89 GLU N N 89 115.496 115.496 116.877 -1.381 25451 5612 1 11 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.384 -0.074 25451 5613 1 11 . 1 1 89 89 GLU C C 89 176.806 176.806 177.041 -0.235 25451 5614 1 11 . 1 1 89 89 GLU CA C 89 56.212 56.212 55.880 0.332 25451 5615 1 11 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.417 0.930 25451 5616 1 11 . 1 1 89 89 GLU H H 89 7.838 7.838 8.000 -0.162 25451 5617 1 11 . 1 1 90 90 GLY N N 90 108.622 108.622 108.041 0.581 25451 5618 1 11 . 1 1 90 90 GLY C C 90 175.985 175.985 175.380 0.605 25451 5619 1 11 . 1 1 90 90 GLY CA C 90 46.215 46.215 46.139 0.076 25451 5620 1 11 . 1 1 90 90 GLY H H 90 7.992 7.992 7.818 0.174 25451 5621 1 11 . 1 1 91 91 LYS N N 91 117.355 117.355 120.205 -2.850 25451 5622 1 11 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.393 -0.067 25451 5623 1 11 . 1 1 91 91 LYS C C 91 177.518 177.518 177.433 0.085 25451 5624 1 11 . 1 1 91 91 LYS CA C 91 56.487 56.487 56.799 -0.312 25451 5625 1 11 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.647 2.470 25451 5626 1 11 . 1 1 91 91 LYS H H 91 8.047 8.047 7.684 0.363 25451 5627 1 11 . 1 1 92 92 LEU N N 92 121.641 121.641 120.984 0.657 25451 5628 1 11 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.098 -0.145 25451 5629 1 11 . 1 1 92 92 LEU C C 92 177.518 177.518 177.907 -0.389 25451 5630 1 11 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.670 -0.174 25451 5631 1 11 . 1 1 92 92 LEU CB C 92 41.170 41.170 41.905 -0.735 25451 5632 1 11 . 1 1 92 92 LEU H H 92 7.582 7.582 7.650 -0.068 25451 5633 1 11 . 1 1 93 93 ASP N N 93 118.032 118.032 120.050 -2.018 25451 5634 1 11 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.370 -0.152 25451 5635 1 11 . 1 1 93 93 ASP C C 93 179.344 179.344 178.732 0.612 25451 5636 1 11 . 1 1 93 93 ASP CA C 93 57.955 57.955 58.141 -0.186 25451 5637 1 11 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.022 -0.136 25451 5638 1 11 . 1 1 93 93 ASP H H 93 8.194 8.194 8.546 -0.352 25451 5639 1 11 . 1 1 94 94 GLY N N 94 107.012 107.012 107.803 -0.791 25451 5640 1 11 . 1 1 94 94 GLY C C 94 176.368 176.368 176.413 -0.045 25451 5641 1 11 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.715 -0.317 25451 5642 1 11 . 1 1 94 94 GLY H H 94 8.271 8.271 7.684 0.587 25451 5643 1 11 . 1 1 95 95 LEU N N 95 120.472 120.472 121.478 -1.006 25451 5644 1 11 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.166 0.086 25451 5645 1 11 . 1 1 95 95 LEU C C 95 178.285 178.285 177.289 0.996 25451 5646 1 11 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.345 0.142 25451 5647 1 11 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.182 0.547 25451 5648 1 11 . 1 1 95 95 LEU H H 95 7.475 7.475 7.635 -0.160 25451 5649 1 11 . 1 1 96 96 LEU N N 96 116.181 116.181 116.097 0.084 25451 5650 1 11 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.258 0.002 25451 5651 1 11 . 1 1 96 96 LEU C C 96 176.186 176.186 176.936 -0.750 25451 5652 1 11 . 1 1 96 96 LEU CA C 96 54.561 54.561 54.496 0.065 25451 5653 1 11 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.294 0.977 25451 5654 1 11 . 1 1 96 96 LEU H H 96 7.394 7.394 7.345 0.049 25451 5655 1 12 . 1 1 5 5 SER HA H 5 4.492 4.492 4.569 -0.077 25451 5656 1 12 . 1 1 5 5 SER C C 5 176.496 176.496 175.143 1.353 25451 5657 1 12 . 1 1 5 5 SER CA C 5 59.422 59.422 56.605 2.817 25451 5658 1 12 . 1 1 5 5 SER CB C 5 64.100 64.100 65.260 -1.160 25451 5659 1 12 . 1 1 6 6 ILE N N 6 120.626 120.626 119.591 1.035 25451 5660 1 12 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.841 -0.030 25451 5661 1 12 . 1 1 6 6 ILE C C 6 176.952 176.952 176.992 -0.040 25451 5662 1 12 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.947 0.153 25451 5663 1 12 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.596 -0.186 25451 5664 1 12 . 1 1 6 6 ILE H H 6 9.168 9.168 8.460 0.708 25451 5665 1 12 . 1 1 7 7 ALA N N 7 122.320 122.320 123.214 -0.894 25451 5666 1 12 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.821 0.073 25451 5667 1 12 . 1 1 7 7 ALA C C 7 179.837 179.837 179.417 0.420 25451 5668 1 12 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.686 0.517 25451 5669 1 12 . 1 1 7 7 ALA CB C 7 18.148 18.148 18.288 -0.140 25451 5670 1 12 . 1 1 7 7 ALA H H 7 7.882 7.882 8.280 -0.398 25451 5671 1 12 . 1 1 8 8 SER N N 8 110.329 110.329 114.063 -3.734 25451 5672 1 12 . 1 1 8 8 SER HA H 8 4.227 4.227 4.145 0.082 25451 5673 1 12 . 1 1 8 8 SER C C 8 177.409 177.409 176.606 0.803 25451 5674 1 12 . 1 1 8 8 SER CA C 8 60.156 60.156 60.951 -0.795 25451 5675 1 12 . 1 1 8 8 SER CB C 8 62.908 62.908 63.059 -0.151 25451 5676 1 12 . 1 1 8 8 SER H H 8 7.647 7.647 8.093 -0.446 25451 5677 1 12 . 1 1 9 9 MET N N 9 122.133 122.133 120.051 2.082 25451 5678 1 12 . 1 1 9 9 MET HA H 9 4.127 4.127 4.204 -0.077 25451 5679 1 12 . 1 1 9 9 MET C C 9 180.841 180.841 178.181 2.660 25451 5680 1 12 . 1 1 9 9 MET CA C 9 59.147 59.147 58.413 0.734 25451 5681 1 12 . 1 1 9 9 MET CB C 9 35.025 35.025 32.781 2.244 25451 5682 1 12 . 1 1 9 9 MET H H 9 7.787 7.787 7.704 0.083 25451 5683 1 12 . 1 1 10 10 ILE N N 10 115.009 115.009 117.421 -2.412 25451 5684 1 12 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.770 -0.008 25451 5685 1 12 . 1 1 10 10 ILE C C 10 174.981 174.981 176.875 -1.894 25451 5686 1 12 . 1 1 10 10 ILE CA C 10 65.293 65.293 62.006 3.287 25451 5687 1 12 . 1 1 10 10 ILE CB C 10 37.776 37.776 36.095 1.681 25451 5688 1 12 . 1 1 10 10 ILE H H 10 8.315 8.315 7.662 0.653 25451 5689 1 12 . 1 1 11 11 LYS N N 11 117.153 117.153 117.966 -0.813 25451 5690 1 12 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.295 0.214 25451 5691 1 12 . 1 1 11 11 LYS C C 11 177.774 177.774 177.714 0.060 25451 5692 1 12 . 1 1 11 11 LYS CA C 11 55.479 55.479 56.827 -1.347 25451 5693 1 12 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.170 0.103 25451 5694 1 12 . 1 1 11 11 LYS H H 11 6.877 6.877 7.299 -0.422 25451 5695 1 12 . 1 1 12 12 GLY N N 12 106.134 106.134 109.170 -3.036 25451 5696 1 12 . 1 1 12 12 GLY C C 12 172.553 172.553 174.993 -2.440 25451 5697 1 12 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.686 0.620 25451 5698 1 12 . 1 1 12 12 GLY H H 12 7.757 7.757 8.071 -0.314 25451 5699 1 12 . 1 1 13 13 ASN N N 13 115.402 115.402 116.473 -1.071 25451 5700 1 12 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.915 -0.323 25451 5701 1 12 . 1 1 13 13 ASN C C 13 174.068 174.068 174.705 -0.637 25451 5702 1 12 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.086 -1.927 25451 5703 1 12 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.521 -0.626 25451 5704 1 12 . 1 1 13 13 ASN H H 13 7.214 7.214 7.675 -0.461 25451 5705 1 12 . 1 1 14 14 LYS N N 14 122.033 122.033 120.655 1.378 25451 5706 1 12 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.119 -0.050 25451 5707 1 12 . 1 1 14 14 LYS C C 14 176.533 176.533 176.692 -0.159 25451 5708 1 12 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.753 1.220 25451 5709 1 12 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.322 -1.782 25451 5710 1 12 . 1 1 14 14 LYS H H 14 8.351 8.351 8.518 -0.167 25451 5711 1 12 . 1 1 15 15 VAL N N 15 117.450 117.450 117.175 0.275 25451 5712 1 12 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.067 -0.043 25451 5713 1 12 . 1 1 15 15 VAL C C 15 174.543 174.543 174.516 0.027 25451 5714 1 12 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.794 -0.453 25451 5715 1 12 . 1 1 15 15 VAL CB C 15 32.732 32.732 34.235 -1.503 25451 5716 1 12 . 1 1 15 15 VAL H H 15 8.021 8.021 7.909 0.112 25451 5717 1 12 . 1 1 16 16 VAL N N 16 128.604 128.604 128.034 0.570 25451 5718 1 12 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.081 -0.190 25451 5719 1 12 . 1 1 16 16 VAL C C 16 173.922 173.922 174.632 -0.710 25451 5720 1 12 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.732 0.617 25451 5721 1 12 . 1 1 16 16 VAL CB C 16 35.208 35.208 34.763 0.445 25451 5722 1 12 . 1 1 16 16 VAL H H 16 8.909 8.909 8.961 -0.052 25451 5723 1 12 . 1 1 17 17 VAL N N 17 126.814 126.814 125.660 1.154 25451 5724 1 12 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.133 -0.118 25451 5725 1 12 . 1 1 17 17 VAL C C 17 173.593 173.593 174.515 -0.922 25451 5726 1 12 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.776 -0.895 25451 5727 1 12 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.760 -0.277 25451 5728 1 12 . 1 1 17 17 VAL H H 17 8.359 8.359 8.687 -0.328 25451 5729 1 12 . 1 1 18 18 PHE N N 18 125.697 125.697 124.887 0.810 25451 5730 1 12 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.585 -0.171 25451 5731 1 12 . 1 1 18 18 PHE C C 18 175.364 175.364 175.433 -0.069 25451 5732 1 12 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.471 0.658 25451 5733 1 12 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.613 -2.277 25451 5734 1 12 . 1 1 18 18 PHE H H 18 9.015 9.015 9.427 -0.412 25451 5735 1 12 . 1 1 19 19 SER N N 19 120.570 120.570 116.256 4.314 25451 5736 1 12 . 1 1 19 19 SER HA H 19 5.215 5.215 4.970 0.245 25451 5737 1 12 . 1 1 19 19 SER C C 19 173.539 173.539 172.445 1.094 25451 5738 1 12 . 1 1 19 19 SER CA C 19 57.863 57.863 57.476 0.387 25451 5739 1 12 . 1 1 19 19 SER CB C 19 69.512 69.512 66.743 2.769 25451 5740 1 12 . 1 1 19 19 SER H H 19 9.137 9.137 9.303 -0.166 25451 5741 1 12 . 1 1 20 20 TRP N N 20 122.520 122.520 121.249 1.271 25451 5742 1 12 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.065 0.880 25451 5743 1 12 . 1 1 20 20 TRP C C 20 178.030 178.030 175.627 2.403 25451 5744 1 12 . 1 1 20 20 TRP CA C 20 54.011 54.011 55.681 -1.670 25451 5745 1 12 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.011 2.179 25451 5746 1 12 . 1 1 20 20 TRP H H 20 8.520 8.520 8.821 -0.301 25451 5747 1 12 . 1 1 21 21 VAL N N 21 124.864 124.864 123.897 0.967 25451 5748 1 12 . 1 1 21 21 VAL C C 21 177.208 177.208 176.544 0.664 25451 5749 1 12 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.718 2.666 25451 5750 1 12 . 1 1 21 21 VAL CB C 21 32.273 32.273 32.056 0.217 25451 5751 1 12 . 1 1 21 21 VAL H H 21 9.956 9.956 8.157 1.799 25451 5752 1 12 . 1 1 22 22 THR HA H 22 4.542 4.542 4.477 0.065 25451 5753 1 12 . 1 1 22 22 THR C C 22 174.269 174.269 173.244 1.025 25451 5754 1 12 . 1 1 22 22 THR CA C 22 60.982 60.982 60.980 0.002 25451 5755 1 12 . 1 1 22 22 THR CB C 22 69.237 69.237 70.477 -1.240 25451 5756 1 12 . 1 1 23 23 CYS N N 23 127.689 127.689 124.380 3.309 25451 5757 1 12 . 1 1 23 23 CYS C C 23 175.054 175.054 173.314 1.740 25451 5758 1 12 . 1 1 23 23 CYS CA C 23 56.396 56.396 56.181 0.215 25451 5759 1 12 . 1 1 23 23 CYS CB C 23 32.273 32.273 30.513 1.760 25451 5760 1 12 . 1 1 23 23 CYS H H 23 7.013 7.013 8.365 -1.352 25451 5761 1 12 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.316 -0.015 25451 5762 1 12 . 1 1 24 24 PRO C C 24 180.202 180.202 176.423 3.779 25451 5763 1 12 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.314 0.153 25451 5764 1 12 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.453 0.729 25451 5765 1 12 . 1 1 25 25 TYR N N 25 126.810 126.810 116.355 10.455 25451 5766 1 12 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.434 -0.124 25451 5767 1 12 . 1 1 25 25 TYR C C 25 178.632 178.632 178.288 0.344 25451 5768 1 12 . 1 1 25 25 TYR CA C 25 61.715 61.715 60.224 1.492 25451 5769 1 12 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.789 -0.014 25451 5770 1 12 . 1 1 25 25 TYR H H 25 9.569 9.569 7.681 1.888 25451 5771 1 12 . 1 1 26 26 CYS N N 26 127.984 127.984 120.992 6.992 25451 5772 1 12 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.227 -0.208 25451 5773 1 12 . 1 1 26 26 CYS C C 26 176.642 176.642 176.702 -0.060 25451 5774 1 12 . 1 1 26 26 CYS CA C 26 64.559 64.559 62.381 2.178 25451 5775 1 12 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.238 2.001 25451 5776 1 12 . 1 1 26 26 CYS H H 26 9.239 9.239 7.931 1.308 25451 5777 1 12 . 1 1 27 27 VAL N N 27 121.054 121.054 120.752 0.302 25451 5778 1 12 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.617 -0.030 25451 5779 1 12 . 1 1 27 27 VAL C C 27 178.614 178.614 176.706 1.908 25451 5780 1 12 . 1 1 27 27 VAL CA C 27 66.760 66.760 67.039 -0.279 25451 5781 1 12 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.880 0.210 25451 5782 1 12 . 1 1 27 27 VAL H H 27 8.402 8.402 7.735 0.667 25451 5783 1 12 . 1 1 28 28 ARG N N 28 119.686 119.686 118.772 0.914 25451 5784 1 12 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.930 0.031 25451 5785 1 12 . 1 1 28 28 ARG C C 28 178.742 178.742 178.420 0.322 25451 5786 1 12 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.687 -0.081 25451 5787 1 12 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.812 0.810 25451 5788 1 12 . 1 1 28 28 ARG H H 28 7.655 7.655 8.191 -0.536 25451 5789 1 12 . 1 1 29 29 ALA N N 29 122.324 122.324 122.834 -0.510 25451 5790 1 12 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.078 -0.067 25451 5791 1 12 . 1 1 29 29 ALA C C 29 178.906 178.906 179.458 -0.552 25451 5792 1 12 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.135 -0.023 25451 5793 1 12 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.429 0.178 25451 5794 1 12 . 1 1 29 29 ALA H H 29 8.175 8.175 7.972 0.203 25451 5795 1 12 . 1 1 30 30 GLU N N 30 117.151 117.151 118.503 -1.352 25451 5796 1 12 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.977 -0.440 25451 5797 1 12 . 1 1 30 30 GLU C C 30 178.030 178.030 179.191 -1.161 25451 5798 1 12 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.438 1.177 25451 5799 1 12 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.508 0.014 25451 5800 1 12 . 1 1 30 30 GLU H H 30 8.689 8.689 8.619 0.070 25451 5801 1 12 . 1 1 31 31 LYS N N 31 119.597 119.597 120.189 -0.592 25451 5802 1 12 . 1 1 31 31 LYS HA H 31 4.036 4.036 3.996 0.040 25451 5803 1 12 . 1 1 31 31 LYS C C 31 179.746 179.746 178.465 1.281 25451 5804 1 12 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.642 0.147 25451 5805 1 12 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.510 0.038 25451 5806 1 12 . 1 1 31 31 LYS H H 31 8.359 8.359 8.080 0.279 25451 5807 1 12 . 1 1 32 32 LEU N N 32 121.147 121.147 121.393 -0.246 25451 5808 1 12 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.073 -0.021 25451 5809 1 12 . 1 1 32 32 LEU C C 32 179.198 179.198 178.947 0.251 25451 5810 1 12 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.876 0.629 25451 5811 1 12 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.332 0.847 25451 5812 1 12 . 1 1 32 32 LEU H H 32 7.610 7.610 7.755 -0.145 25451 5813 1 12 . 1 1 33 33 LEU N N 33 118.120 118.120 117.989 0.131 25451 5814 1 12 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.794 -0.032 25451 5815 1 12 . 1 1 33 33 LEU C C 33 179.234 179.234 179.040 0.194 25451 5816 1 12 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.536 -0.122 25451 5817 1 12 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.630 0.824 25451 5818 1 12 . 1 1 33 33 LEU H H 33 7.904 7.904 8.766 -0.862 25451 5819 1 12 . 1 1 34 34 HIS N N 34 117.939 117.939 117.628 0.311 25451 5820 1 12 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.357 0.276 25451 5821 1 12 . 1 1 34 34 HIS C C 34 176.879 176.879 178.037 -1.158 25451 5822 1 12 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.071 0.351 25451 5823 1 12 . 1 1 34 34 HIS CB C 34 30.072 30.072 30.043 0.029 25451 5824 1 12 . 1 1 34 34 HIS H H 34 8.876 8.876 7.777 1.099 25451 5825 1 12 . 1 1 35 35 ALA N N 35 118.133 118.133 122.369 -4.236 25451 5826 1 12 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.216 0.069 25451 5827 1 12 . 1 1 35 35 ALA C C 35 178.395 178.395 178.785 -0.390 25451 5828 1 12 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.402 -1.217 25451 5829 1 12 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.980 -0.465 25451 5830 1 12 . 1 1 35 35 ALA H H 35 7.229 7.229 8.151 -0.922 25451 5831 1 12 . 1 1 36 36 ARG N N 36 115.692 115.692 115.732 -0.040 25451 5832 1 12 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.672 -0.230 25451 5833 1 12 . 1 1 36 36 ARG C C 36 175.693 175.693 175.168 0.525 25451 5834 1 12 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.000 0.745 25451 5835 1 12 . 1 1 36 36 ARG CB C 36 32.548 32.548 30.281 2.267 25451 5836 1 12 . 1 1 36 36 ARG H H 36 7.647 7.647 8.055 -0.408 25451 5837 1 12 . 1 1 37 37 THR N N 37 114.964 114.964 110.104 4.860 25451 5838 1 12 . 1 1 37 37 THR HA H 37 4.651 4.651 3.858 0.793 25451 5839 1 12 . 1 1 37 37 THR C C 37 170.636 170.636 173.660 -3.024 25451 5840 1 12 . 1 1 37 37 THR CA C 37 60.523 60.523 63.494 -2.971 25451 5841 1 12 . 1 1 37 37 THR CB C 37 68.870 68.870 66.623 2.247 25451 5842 1 12 . 1 1 37 37 THR H H 37 8.087 8.087 7.980 0.107 25451 5843 1 12 . 1 1 38 38 LYS N N 38 121.835 121.835 122.074 -0.239 25451 5844 1 12 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.219 0.448 25451 5845 1 12 . 1 1 38 38 LYS C C 38 178.139 178.139 175.838 2.301 25451 5846 1 12 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.339 -0.044 25451 5847 1 12 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.369 0.363 25451 5848 1 12 . 1 1 38 38 LYS H H 38 8.299 8.299 8.110 0.189 25451 5849 1 12 . 1 1 39 39 ASP N N 39 128.517 128.517 126.396 2.121 25451 5850 1 12 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.459 0.424 25451 5851 1 12 . 1 1 39 39 ASP C C 39 172.754 172.754 175.013 -2.259 25451 5852 1 12 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.681 -0.578 25451 5853 1 12 . 1 1 39 39 ASP CB C 39 40.987 40.987 41.011 -0.024 25451 5854 1 12 . 1 1 39 39 ASP H H 39 8.823 8.823 8.492 0.332 25451 5855 1 12 . 1 1 40 40 ILE N N 40 116.959 116.959 124.719 -7.760 25451 5856 1 12 . 1 1 40 40 ILE HA H 40 5.273 5.273 5.008 0.265 25451 5857 1 12 . 1 1 40 40 ILE C C 40 174.470 174.470 175.015 -0.545 25451 5858 1 12 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.049 -2.011 25451 5859 1 12 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.770 -0.050 25451 5860 1 12 . 1 1 40 40 ILE H H 40 7.273 7.273 7.835 -0.562 25451 5861 1 12 . 1 1 41 41 THR N N 41 125.545 125.545 122.933 2.612 25451 5862 1 12 . 1 1 41 41 THR HA H 41 4.260 4.260 4.672 -0.412 25451 5863 1 12 . 1 1 41 41 THR C C 41 171.476 171.476 172.136 -0.660 25451 5864 1 12 . 1 1 41 41 THR CA C 41 61.807 61.807 61.312 0.494 25451 5865 1 12 . 1 1 41 41 THR CB C 41 72.172 72.172 71.140 1.032 25451 5866 1 12 . 1 1 41 41 THR H H 41 8.564 8.564 8.614 -0.050 25451 5867 1 12 . 1 1 42 42 VAL N N 42 126.913 126.913 125.065 1.848 25451 5868 1 12 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.789 -0.546 25451 5869 1 12 . 1 1 42 42 VAL C C 42 174.086 174.086 174.055 0.031 25451 5870 1 12 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.601 0.647 25451 5871 1 12 . 1 1 42 42 VAL CB C 42 32.824 32.824 34.460 -1.636 25451 5872 1 12 . 1 1 42 42 VAL H H 42 8.271 8.271 8.259 0.012 25451 5873 1 12 . 1 1 43 43 HIS N N 43 127.392 127.392 127.660 -0.268 25451 5874 1 12 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.661 -0.094 25451 5875 1 12 . 1 1 43 43 HIS C C 43 174.543 174.543 174.015 0.528 25451 5876 1 12 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.790 -0.687 25451 5877 1 12 . 1 1 43 43 HIS CB C 43 31.815 31.815 31.777 0.038 25451 5878 1 12 . 1 1 43 43 HIS H H 43 8.829 8.829 8.923 -0.094 25451 5879 1 12 . 1 1 44 44 TYR N N 44 126.221 126.221 125.783 0.438 25451 5880 1 12 . 1 1 44 44 TYR HA H 44 5.206 5.206 5.162 0.044 25451 5881 1 12 . 1 1 44 44 TYR C C 44 177.865 177.865 176.775 1.090 25451 5882 1 12 . 1 1 44 44 TYR CA C 44 57.313 57.313 56.526 0.787 25451 5883 1 12 . 1 1 44 44 TYR CB C 44 35.850 35.850 36.946 -1.096 25451 5884 1 12 . 1 1 44 44 TYR H H 44 8.938 8.938 9.017 -0.079 25451 5885 1 12 . 1 1 45 45 VAL N N 45 120.086 120.086 121.358 -1.272 25451 5886 1 12 . 1 1 45 45 VAL HA H 45 4.351 4.351 4.152 0.199 25451 5887 1 12 . 1 1 45 45 VAL C C 45 176.952 176.952 177.263 -0.311 25451 5888 1 12 . 1 1 45 45 VAL CA C 45 63.917 63.917 64.211 -0.294 25451 5889 1 12 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.645 -0.382 25451 5890 1 12 . 1 1 45 45 VAL H H 45 9.037 9.037 8.362 0.675 25451 5891 1 12 . 1 1 46 46 ASP N N 46 118.427 118.427 120.712 -2.285 25451 5892 1 12 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.346 0.063 25451 5893 1 12 . 1 1 46 46 ASP C C 46 176.989 176.989 177.215 -0.226 25451 5894 1 12 . 1 1 46 46 ASP CA C 46 54.745 54.745 56.375 -1.630 25451 5895 1 12 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.797 -3.938 25451 5896 1 12 . 1 1 46 46 ASP H H 46 10.711 10.711 8.358 2.353 25451 5897 1 12 . 1 1 47 47 LYS N N 47 119.396 119.396 117.437 1.959 25451 5898 1 12 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.450 0.092 25451 5899 1 12 . 1 1 47 47 LYS C C 47 176.350 176.350 176.871 -0.521 25451 5900 1 12 . 1 1 47 47 LYS CA C 47 55.020 55.020 56.384 -1.364 25451 5901 1 12 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.621 -0.981 25451 5902 1 12 . 1 1 47 47 LYS H H 47 7.801 7.801 7.941 -0.140 25451 5903 1 12 . 1 1 48 48 MET N N 48 118.957 118.957 122.386 -3.429 25451 5904 1 12 . 1 1 48 48 MET C C 48 177.500 177.500 177.680 -0.180 25451 5905 1 12 . 1 1 48 48 MET CA C 48 54.928 54.928 56.261 -1.333 25451 5906 1 12 . 1 1 48 48 MET CB C 48 36.492 36.492 33.545 2.947 25451 5907 1 12 . 1 1 48 48 MET H H 48 7.331 7.331 8.284 -0.953 25451 5908 1 12 . 1 1 49 49 SER HA H 49 4.260 4.260 4.140 0.120 25451 5909 1 12 . 1 1 49 49 SER C C 49 176.898 176.898 176.574 0.324 25451 5910 1 12 . 1 1 49 49 SER CA C 49 61.899 61.899 61.636 0.263 25451 5911 1 12 . 1 1 50 50 GLU N N 50 121.350 121.350 121.163 0.187 25451 5912 1 12 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.237 0.513 25451 5913 1 12 . 1 1 50 50 GLU C C 50 176.971 176.971 178.780 -1.809 25451 5914 1 12 . 1 1 50 50 GLU CA C 50 56.487 56.487 57.421 -0.934 25451 5915 1 12 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.308 -1.070 25451 5916 1 12 . 1 1 50 50 GLU H H 50 10.024 10.024 8.754 1.270 25451 5917 1 12 . 1 1 51 51 GLY N N 51 109.546 109.546 108.330 1.216 25451 5918 1 12 . 1 1 51 51 GLY C C 51 175.602 175.602 175.629 -0.027 25451 5919 1 12 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.120 1.755 25451 5920 1 12 . 1 1 51 51 GLY H H 51 8.124 8.124 8.249 -0.125 25451 5921 1 12 . 1 1 52 52 GLU N N 52 120.614 120.614 121.435 -0.821 25451 5922 1 12 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.033 0.169 25451 5923 1 12 . 1 1 52 52 GLU C C 52 180.056 180.056 179.351 0.705 25451 5924 1 12 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.185 0.237 25451 5925 1 12 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.497 -0.526 25451 5926 1 12 . 1 1 52 52 GLU H H 52 8.821 8.821 7.937 0.884 25451 5927 1 12 . 1 1 53 53 GLN N N 53 123.591 123.591 119.030 4.561 25451 5928 1 12 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.118 0.026 25451 5929 1 12 . 1 1 53 53 GLN C C 53 179.600 179.600 178.213 1.387 25451 5930 1 12 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.782 0.273 25451 5931 1 12 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.536 -0.849 25451 5932 1 12 . 1 1 53 53 GLN H H 53 8.117 8.117 8.118 -0.001 25451 5933 1 12 . 1 1 54 54 LEU N N 54 120.960 120.960 120.678 0.282 25451 5934 1 12 . 1 1 54 54 LEU HA H 54 4.011 4.011 3.940 0.071 25451 5935 1 12 . 1 1 54 54 LEU C C 54 179.417 179.417 178.983 0.434 25451 5936 1 12 . 1 1 54 54 LEU CA C 54 57.863 57.863 57.430 0.433 25451 5937 1 12 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.831 -0.395 25451 5938 1 12 . 1 1 54 54 LEU H H 54 8.249 8.249 7.787 0.462 25451 5939 1 12 . 1 1 55 55 ARG N N 55 118.038 118.038 118.965 -0.927 25451 5940 1 12 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.913 -0.118 25451 5941 1 12 . 1 1 55 55 ARG C C 55 180.439 180.439 178.952 1.487 25451 5942 1 12 . 1 1 55 55 ARG CA C 55 60.615 60.615 60.112 0.503 25451 5943 1 12 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.858 -0.336 25451 5944 1 12 . 1 1 55 55 ARG H H 55 8.402 8.402 8.591 -0.189 25451 5945 1 12 . 1 1 56 56 GLY N N 56 110.675 110.675 107.468 3.207 25451 5946 1 12 . 1 1 56 56 GLY C C 56 176.350 176.350 176.333 0.017 25451 5947 1 12 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.046 0.178 25451 5948 1 12 . 1 1 56 56 GLY H H 56 8.376 8.376 7.868 0.508 25451 5949 1 12 . 1 1 57 57 GLU N N 57 124.469 124.469 122.272 2.197 25451 5950 1 12 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.088 -0.011 25451 5951 1 12 . 1 1 57 57 GLU C C 57 180.184 180.184 179.195 0.989 25451 5952 1 12 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.417 1.189 25451 5953 1 12 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.090 0.890 25451 5954 1 12 . 1 1 57 57 GLU H H 57 8.146 8.146 7.933 0.213 25451 5955 1 12 . 1 1 58 58 ILE N N 58 121.352 121.352 120.691 0.661 25451 5956 1 12 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.777 -0.090 25451 5957 1 12 . 1 1 58 58 ILE C C 58 178.030 178.030 177.782 0.248 25451 5958 1 12 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.465 0.103 25451 5959 1 12 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.908 0.419 25451 5960 1 12 . 1 1 58 58 ILE H H 58 8.201 8.201 7.862 0.339 25451 5961 1 12 . 1 1 59 59 TYR N N 59 121.934 121.934 120.968 0.966 25451 5962 1 12 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.294 -0.159 25451 5963 1 12 . 1 1 59 59 TYR C C 59 178.322 178.322 178.322 0.000 25451 5964 1 12 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.773 0.218 25451 5965 1 12 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.743 -0.783 25451 5966 1 12 . 1 1 59 59 TYR H H 59 8.256 8.256 8.581 -0.325 25451 5967 1 12 . 1 1 60 60 GLN N N 60 119.694 119.694 117.705 1.989 25451 5968 1 12 . 1 1 60 60 GLN HA H 60 3.679 3.679 3.928 -0.249 25451 5969 1 12 . 1 1 60 60 GLN C C 60 177.336 177.336 178.412 -1.076 25451 5970 1 12 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.657 0.123 25451 5971 1 12 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.125 0.388 25451 5972 1 12 . 1 1 60 60 GLN H H 60 8.512 8.512 8.158 0.354 25451 5973 1 12 . 1 1 61 61 ALA N N 61 117.444 117.444 121.206 -3.762 25451 5974 1 12 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.934 0.035 25451 5975 1 12 . 1 1 61 61 ALA C C 61 179.180 179.180 179.032 0.148 25451 5976 1 12 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.809 -0.072 25451 5977 1 12 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.393 0.764 25451 5978 1 12 . 1 1 61 61 ALA H H 61 7.749 7.749 7.382 0.367 25451 5979 1 12 . 1 1 62 62 TYR N N 62 113.265 113.265 114.177 -0.912 25451 5980 1 12 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.406 0.119 25451 5981 1 12 . 1 1 62 62 TYR C C 62 175.036 175.036 174.956 0.080 25451 5982 1 12 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.444 0.869 25451 5983 1 12 . 1 1 62 62 TYR CB C 62 38.969 38.969 39.505 -0.536 25451 5984 1 12 . 1 1 62 62 TYR H H 62 7.801 7.801 7.646 0.155 25451 5985 1 12 . 1 1 63 63 LYS N N 63 117.584 117.584 115.546 2.038 25451 5986 1 12 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.919 0.585 25451 5987 1 12 . 1 1 63 63 LYS C C 63 173.812 173.812 174.566 -0.754 25451 5988 1 12 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.801 -0.130 25451 5989 1 12 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.034 -0.521 25451 5990 1 12 . 1 1 63 63 LYS H H 63 8.098 8.098 7.739 0.359 25451 5991 1 12 . 1 1 64 64 HIS N N 64 118.618 118.618 115.907 2.711 25451 5992 1 12 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.727 0.230 25451 5993 1 12 . 1 1 64 64 HIS C C 64 175.985 175.985 174.334 1.651 25451 5994 1 12 . 1 1 64 64 HIS CA C 64 55.754 55.754 54.547 1.208 25451 5995 1 12 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.357 1.576 25451 5996 1 12 . 1 1 64 64 HIS H H 64 6.524 6.524 6.948 -0.424 25451 5997 1 12 . 1 1 65 65 GLU N N 65 126.723 126.723 119.231 7.492 25451 5998 1 12 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.619 -0.226 25451 5999 1 12 . 1 1 65 65 GLU C C 65 175.346 175.346 175.884 -0.538 25451 6000 1 12 . 1 1 65 65 GLU CA C 65 56.946 56.946 56.708 0.238 25451 6001 1 12 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.190 1.083 25451 6002 1 12 . 1 1 65 65 GLU H H 65 9.188 9.188 8.810 0.378 25451 6003 1 12 . 1 1 66 66 THR N N 66 108.043 108.043 108.882 -0.839 25451 6004 1 12 . 1 1 66 66 THR HA H 66 4.393 4.393 4.603 -0.210 25451 6005 1 12 . 1 1 66 66 THR C C 66 174.579 174.579 173.064 1.515 25451 6006 1 12 . 1 1 66 66 THR CA C 66 59.698 59.698 61.070 -1.372 25451 6007 1 12 . 1 1 66 66 THR CB C 66 71.071 71.071 71.157 -0.086 25451 6008 1 12 . 1 1 66 66 THR H H 66 6.296 6.296 7.506 -1.210 25451 6009 1 12 . 1 1 67 67 VAL N N 67 112.473 112.473 114.154 -1.681 25451 6010 1 12 . 1 1 67 67 VAL C C 67 173.027 173.027 174.723 -1.696 25451 6011 1 12 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.197 -4.150 25451 6012 1 12 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.402 0.780 25451 6013 1 12 . 1 1 67 67 VAL H H 67 7.688 7.688 8.525 -0.837 25451 6014 1 12 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.435 0.995 25451 6015 1 12 . 1 1 68 68 PRO C C 68 176.405 176.405 175.292 1.113 25451 6016 1 12 . 1 1 68 68 PRO CA C 68 61.807 61.807 63.017 -1.210 25451 6017 1 12 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.237 2.604 25451 6018 1 12 . 1 1 69 69 ALA N N 69 124.309 124.309 121.588 2.721 25451 6019 1 12 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.740 0.068 25451 6020 1 12 . 1 1 69 69 ALA C C 69 175.273 175.273 176.469 -1.196 25451 6021 1 12 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.297 0.054 25451 6022 1 12 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.697 1.028 25451 6023 1 12 . 1 1 69 69 ALA H H 69 8.952 8.952 8.216 0.736 25451 6024 1 12 . 1 1 70 70 ILE N N 70 124.569 124.569 122.960 1.609 25451 6025 1 12 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.811 -0.261 25451 6026 1 12 . 1 1 70 70 ILE C C 70 172.553 172.553 174.078 -1.525 25451 6027 1 12 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.380 1.702 25451 6028 1 12 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.234 -1.165 25451 6029 1 12 . 1 1 70 70 ILE H H 70 8.447 8.447 8.398 0.049 25451 6030 1 12 . 1 1 71 71 PHE N N 71 127.490 127.490 124.883 2.607 25451 6031 1 12 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.654 -0.431 25451 6032 1 12 . 1 1 71 71 PHE C C 71 174.798 174.798 174.720 0.078 25451 6033 1 12 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.111 0.010 25451 6034 1 12 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.293 -1.206 25451 6035 1 12 . 1 1 71 71 PHE H H 71 9.219 9.219 9.322 -0.103 25451 6036 1 12 . 1 1 72 72 ILE N N 72 118.614 118.614 121.905 -3.291 25451 6037 1 12 . 1 1 72 72 ILE HA H 72 5.107 5.107 5.031 0.076 25451 6038 1 12 . 1 1 72 72 ILE C C 72 177.518 177.518 175.939 1.579 25451 6039 1 12 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.524 -0.001 25451 6040 1 12 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.864 0.123 25451 6041 1 12 . 1 1 72 72 ILE H H 72 8.715 8.715 9.198 -0.483 25451 6042 1 12 . 1 1 73 73 ASN N N 73 129.431 129.431 126.710 2.721 25451 6043 1 12 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.412 0.255 25451 6044 1 12 . 1 1 73 73 ASN C C 73 175.273 175.273 175.946 -0.673 25451 6045 1 12 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.450 0.111 25451 6046 1 12 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.806 0.512 25451 6047 1 12 . 1 1 73 73 ASN H H 73 10.691 10.691 9.313 1.378 25451 6048 1 12 . 1 1 74 74 GLY N N 74 104.235 104.235 103.253 0.982 25451 6049 1 12 . 1 1 74 74 GLY C C 74 172.754 172.754 174.311 -1.557 25451 6050 1 12 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.615 -0.593 25451 6051 1 12 . 1 1 74 74 GLY H H 74 9.529 9.529 8.915 0.614 25451 6052 1 12 . 1 1 75 75 ASN N N 75 119.009 119.009 119.689 -0.680 25451 6053 1 12 . 1 1 75 75 ASN HA H 75 5.098 5.098 4.920 0.178 25451 6054 1 12 . 1 1 75 75 ASN C C 75 174.269 174.269 174.092 0.177 25451 6055 1 12 . 1 1 75 75 ASN CA C 75 51.626 51.626 53.364 -1.738 25451 6056 1 12 . 1 1 75 75 ASN CB C 75 39.978 39.978 39.916 0.062 25451 6057 1 12 . 1 1 75 75 ASN H H 75 8.116 8.116 8.160 -0.044 25451 6058 1 12 . 1 1 76 76 PHE N N 76 124.901 124.901 122.792 2.109 25451 6059 1 12 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.684 -1.030 25451 6060 1 12 . 1 1 76 76 PHE C C 76 175.273 175.273 174.848 0.425 25451 6061 1 12 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.970 0.893 25451 6062 1 12 . 1 1 76 76 PHE CB C 76 38.877 38.877 40.128 -1.251 25451 6063 1 12 . 1 1 76 76 PHE H H 76 9.004 9.004 8.566 0.438 25451 6064 1 12 . 1 1 77 77 ILE N N 77 126.459 126.459 125.787 0.672 25451 6065 1 12 . 1 1 77 77 ILE C C 77 174.506 174.506 172.926 1.580 25451 6066 1 12 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.757 -1.252 25451 6067 1 12 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.718 -4.308 25451 6068 1 12 . 1 1 77 77 ILE H H 77 8.161 8.161 8.102 0.059 25451 6069 1 12 . 1 1 78 78 GLY C C 78 172.005 172.005 173.511 -1.506 25451 6070 1 12 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.752 -0.196 25451 6071 1 12 . 1 1 79 79 GLY N N 79 109.745 109.745 111.857 -2.112 25451 6072 1 12 . 1 1 79 79 GLY C C 79 174.981 174.981 174.186 0.795 25451 6073 1 12 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.640 -1.177 25451 6074 1 12 . 1 1 79 79 GLY H H 79 9.114 9.114 7.718 1.396 25451 6075 1 12 . 1 1 80 80 CYS N N 80 120.764 120.764 122.597 -1.833 25451 6076 1 12 . 1 1 80 80 CYS C C 80 176.533 176.533 176.296 0.237 25451 6077 1 12 . 1 1 80 80 CYS CA C 80 63.825 63.825 62.269 1.556 25451 6078 1 12 . 1 1 80 80 CYS CB C 80 26.770 26.770 27.326 -0.556 25451 6079 1 12 . 1 1 80 80 CYS H H 80 8.571 8.571 8.932 -0.361 25451 6080 1 12 . 1 1 81 81 SER HA H 81 3.903 3.903 4.118 -0.215 25451 6081 1 12 . 1 1 81 81 SER C C 81 177.318 177.318 175.338 1.980 25451 6082 1 12 . 1 1 81 81 SER CA C 81 61.440 61.440 61.748 -0.308 25451 6083 1 12 . 1 1 82 82 ASP N N 82 122.226 122.226 121.294 0.932 25451 6084 1 12 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.362 -0.011 25451 6085 1 12 . 1 1 82 82 ASP C C 82 177.993 177.993 178.268 -0.275 25451 6086 1 12 . 1 1 82 82 ASP CA C 82 57.129 57.129 57.182 -0.053 25451 6087 1 12 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.553 0.984 25451 6088 1 12 . 1 1 82 82 ASP H H 82 7.060 7.060 8.153 -1.093 25451 6089 1 12 . 1 1 83 83 LEU N N 83 121.542 121.542 120.360 1.182 25451 6090 1 12 . 1 1 83 83 LEU HA H 83 3.787 3.787 4.013 -0.226 25451 6091 1 12 . 1 1 83 83 LEU C C 83 177.957 177.957 178.120 -0.163 25451 6092 1 12 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.906 -0.043 25451 6093 1 12 . 1 1 83 83 LEU CB C 83 42.087 42.087 42.001 0.086 25451 6094 1 12 . 1 1 83 83 LEU H H 83 7.793 7.793 7.852 -0.059 25451 6095 1 12 . 1 1 84 84 GLU N N 84 117.702 117.702 119.002 -1.300 25451 6096 1 12 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.884 -0.064 25451 6097 1 12 . 1 1 84 84 GLU C C 84 179.161 179.161 178.729 0.432 25451 6098 1 12 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.377 0.321 25451 6099 1 12 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.279 0.243 25451 6100 1 12 . 1 1 84 84 GLU H H 84 8.432 8.432 7.976 0.456 25451 6101 1 12 . 1 1 85 85 ALA N N 85 122.903 122.903 122.179 0.724 25451 6102 1 12 . 1 1 85 85 ALA HA H 85 4.177 4.177 3.968 0.209 25451 6103 1 12 . 1 1 85 85 ALA C C 85 179.892 179.892 179.181 0.711 25451 6104 1 12 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.389 -0.094 25451 6105 1 12 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.355 -0.574 25451 6106 1 12 . 1 1 85 85 ALA H H 85 7.890 7.890 8.122 -0.232 25451 6107 1 12 . 1 1 86 86 LEU N N 86 118.087 118.087 118.130 -0.043 25451 6108 1 12 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.976 0.043 25451 6109 1 12 . 1 1 86 86 LEU C C 86 179.764 179.764 178.995 0.769 25451 6110 1 12 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.335 0.345 25451 6111 1 12 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.357 1.464 25451 6112 1 12 . 1 1 86 86 LEU H H 86 7.567 7.567 7.564 0.003 25451 6113 1 12 . 1 1 87 87 ASP N N 87 119.239 119.239 120.500 -1.261 25451 6114 1 12 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.409 0.092 25451 6115 1 12 . 1 1 87 87 ASP C C 87 179.563 179.563 178.433 1.130 25451 6116 1 12 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.214 -0.360 25451 6117 1 12 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.909 1.087 25451 6118 1 12 . 1 1 87 87 ASP H H 87 7.985 7.985 7.662 0.323 25451 6119 1 12 . 1 1 88 88 LYS N N 88 121.741 121.741 118.848 2.893 25451 6120 1 12 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.126 -0.090 25451 6121 1 12 . 1 1 88 88 LYS C C 88 178.778 178.778 178.805 -0.027 25451 6122 1 12 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.086 1.061 25451 6123 1 12 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.669 -0.487 25451 6124 1 12 . 1 1 88 88 LYS H H 88 8.461 8.461 8.122 0.339 25451 6125 1 12 . 1 1 89 89 GLU N N 89 115.496 115.496 116.010 -0.514 25451 6126 1 12 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.296 0.014 25451 6127 1 12 . 1 1 89 89 GLU C C 89 176.806 176.806 176.875 -0.069 25451 6128 1 12 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.291 -0.079 25451 6129 1 12 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.584 0.763 25451 6130 1 12 . 1 1 89 89 GLU H H 89 7.838 7.838 7.896 -0.058 25451 6131 1 12 . 1 1 90 90 GLY N N 90 108.622 108.622 107.518 1.104 25451 6132 1 12 . 1 1 90 90 GLY C C 90 175.985 175.985 175.502 0.483 25451 6133 1 12 . 1 1 90 90 GLY CA C 90 46.215 46.215 46.265 -0.050 25451 6134 1 12 . 1 1 90 90 GLY H H 90 7.992 7.992 7.647 0.345 25451 6135 1 12 . 1 1 91 91 LYS N N 91 117.355 117.355 119.845 -2.490 25451 6136 1 12 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.218 0.108 25451 6137 1 12 . 1 1 91 91 LYS C C 91 177.518 177.518 177.415 0.103 25451 6138 1 12 . 1 1 91 91 LYS CA C 91 56.487 56.487 57.374 -0.887 25451 6139 1 12 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.519 2.598 25451 6140 1 12 . 1 1 91 91 LYS H H 91 8.047 8.047 7.617 0.430 25451 6141 1 12 . 1 1 92 92 LEU N N 92 121.641 121.641 121.158 0.483 25451 6142 1 12 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.087 -0.134 25451 6143 1 12 . 1 1 92 92 LEU C C 92 177.518 177.518 177.338 0.180 25451 6144 1 12 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.673 -0.177 25451 6145 1 12 . 1 1 92 92 LEU CB C 92 41.170 41.170 41.965 -0.795 25451 6146 1 12 . 1 1 92 92 LEU H H 92 7.582 7.582 7.956 -0.374 25451 6147 1 12 . 1 1 93 93 ASP N N 93 118.032 118.032 119.611 -1.579 25451 6148 1 12 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.298 -0.080 25451 6149 1 12 . 1 1 93 93 ASP C C 93 179.344 179.344 178.420 0.924 25451 6150 1 12 . 1 1 93 93 ASP CA C 93 57.955 57.955 58.149 -0.194 25451 6151 1 12 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.334 -0.448 25451 6152 1 12 . 1 1 93 93 ASP H H 93 8.194 8.194 8.580 -0.386 25451 6153 1 12 . 1 1 94 94 GLY N N 94 107.012 107.012 107.568 -0.556 25451 6154 1 12 . 1 1 94 94 GLY C C 94 176.368 176.368 176.485 -0.117 25451 6155 1 12 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.888 -0.490 25451 6156 1 12 . 1 1 94 94 GLY H H 94 8.271 8.271 7.935 0.336 25451 6157 1 12 . 1 1 95 95 LEU N N 95 120.472 120.472 121.361 -0.889 25451 6158 1 12 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.146 0.106 25451 6159 1 12 . 1 1 95 95 LEU C C 95 178.285 178.285 177.851 0.434 25451 6160 1 12 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.214 0.273 25451 6161 1 12 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.168 0.561 25451 6162 1 12 . 1 1 95 95 LEU H H 95 7.475 7.475 7.143 0.332 25451 6163 1 12 . 1 1 96 96 LEU N N 96 116.181 116.181 115.135 1.046 25451 6164 1 12 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.135 0.125 25451 6165 1 12 . 1 1 96 96 LEU C C 96 176.186 176.186 176.601 -0.415 25451 6166 1 12 . 1 1 96 96 LEU CA C 96 54.561 54.561 55.384 -0.823 25451 6167 1 12 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.669 0.602 25451 6168 1 12 . 1 1 96 96 LEU H H 96 7.394 7.394 7.716 -0.322 25451 6169 1 13 . 1 1 5 5 SER HA H 5 4.492 4.492 4.721 -0.229 25451 6170 1 13 . 1 1 5 5 SER C C 5 176.496 176.496 176.096 0.400 25451 6171 1 13 . 1 1 5 5 SER CA C 5 59.422 59.422 56.934 2.488 25451 6172 1 13 . 1 1 5 5 SER CB C 5 64.100 64.100 65.634 -1.534 25451 6173 1 13 . 1 1 6 6 ILE N N 6 120.626 120.626 118.999 1.627 25451 6174 1 13 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.937 -0.126 25451 6175 1 13 . 1 1 6 6 ILE C C 6 176.952 176.952 176.826 0.126 25451 6176 1 13 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.672 0.428 25451 6177 1 13 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.246 0.164 25451 6178 1 13 . 1 1 6 6 ILE H H 6 9.168 9.168 8.350 0.818 25451 6179 1 13 . 1 1 7 7 ALA N N 7 122.320 122.320 122.873 -0.553 25451 6180 1 13 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.930 -0.036 25451 6181 1 13 . 1 1 7 7 ALA C C 7 179.837 179.837 179.835 0.002 25451 6182 1 13 . 1 1 7 7 ALA CA C 7 55.203 55.203 55.015 0.188 25451 6183 1 13 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.819 0.330 25451 6184 1 13 . 1 1 7 7 ALA H H 7 7.882 7.882 8.318 -0.436 25451 6185 1 13 . 1 1 8 8 SER N N 8 110.329 110.329 113.721 -3.392 25451 6186 1 13 . 1 1 8 8 SER HA H 8 4.227 4.227 4.177 0.050 25451 6187 1 13 . 1 1 8 8 SER C C 8 177.409 177.409 176.926 0.483 25451 6188 1 13 . 1 1 8 8 SER CA C 8 60.156 60.156 61.234 -1.079 25451 6189 1 13 . 1 1 8 8 SER CB C 8 62.908 62.908 62.998 -0.090 25451 6190 1 13 . 1 1 8 8 SER H H 8 7.647 7.647 7.669 -0.022 25451 6191 1 13 . 1 1 9 9 MET N N 9 122.133 122.133 121.427 0.706 25451 6192 1 13 . 1 1 9 9 MET HA H 9 4.127 4.127 4.235 -0.108 25451 6193 1 13 . 1 1 9 9 MET C C 9 180.841 180.841 178.523 2.318 25451 6194 1 13 . 1 1 9 9 MET CA C 9 59.147 59.147 58.651 0.496 25451 6195 1 13 . 1 1 9 9 MET CB C 9 35.025 35.025 32.588 2.437 25451 6196 1 13 . 1 1 9 9 MET H H 9 7.787 7.787 7.711 0.076 25451 6197 1 13 . 1 1 10 10 ILE N N 10 115.009 115.009 117.613 -2.604 25451 6198 1 13 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.848 -0.086 25451 6199 1 13 . 1 1 10 10 ILE C C 10 174.981 174.981 177.573 -2.592 25451 6200 1 13 . 1 1 10 10 ILE CA C 10 65.293 65.293 62.344 2.949 25451 6201 1 13 . 1 1 10 10 ILE CB C 10 37.776 37.776 35.794 1.982 25451 6202 1 13 . 1 1 10 10 ILE H H 10 8.315 8.315 7.839 0.476 25451 6203 1 13 . 1 1 11 11 LYS N N 11 117.153 117.153 118.962 -1.809 25451 6204 1 13 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.368 0.141 25451 6205 1 13 . 1 1 11 11 LYS C C 11 177.774 177.774 177.867 -0.093 25451 6206 1 13 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.340 -1.861 25451 6207 1 13 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.030 0.243 25451 6208 1 13 . 1 1 11 11 LYS H H 11 6.877 6.877 7.579 -0.702 25451 6209 1 13 . 1 1 12 12 GLY N N 12 106.134 106.134 107.008 -0.874 25451 6210 1 13 . 1 1 12 12 GLY C C 12 172.553 172.553 174.471 -1.918 25451 6211 1 13 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.299 1.007 25451 6212 1 13 . 1 1 12 12 GLY H H 12 7.757 7.757 8.128 -0.371 25451 6213 1 13 . 1 1 13 13 ASN N N 13 115.402 115.402 116.550 -1.148 25451 6214 1 13 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.969 -0.377 25451 6215 1 13 . 1 1 13 13 ASN C C 13 174.068 174.068 174.681 -0.613 25451 6216 1 13 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.302 -2.143 25451 6217 1 13 . 1 1 13 13 ASN CB C 13 40.895 40.895 40.974 -0.079 25451 6218 1 13 . 1 1 13 13 ASN H H 13 7.214 7.214 7.403 -0.189 25451 6219 1 13 . 1 1 14 14 LYS N N 14 122.033 122.033 121.254 0.779 25451 6220 1 13 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.139 -0.070 25451 6221 1 13 . 1 1 14 14 LYS C C 14 176.533 176.533 176.141 0.392 25451 6222 1 13 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.929 1.044 25451 6223 1 13 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.270 -1.730 25451 6224 1 13 . 1 1 14 14 LYS H H 14 8.351 8.351 8.442 -0.091 25451 6225 1 13 . 1 1 15 15 VAL N N 15 117.450 117.450 117.020 0.430 25451 6226 1 13 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.098 -0.074 25451 6227 1 13 . 1 1 15 15 VAL C C 15 174.543 174.543 174.469 0.074 25451 6228 1 13 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.841 -0.501 25451 6229 1 13 . 1 1 15 15 VAL CB C 15 32.732 32.732 34.953 -2.220 25451 6230 1 13 . 1 1 15 15 VAL H H 15 8.021 8.021 7.915 0.106 25451 6231 1 13 . 1 1 16 16 VAL N N 16 128.604 128.604 126.864 1.740 25451 6232 1 13 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.031 -0.140 25451 6233 1 13 . 1 1 16 16 VAL C C 16 173.922 173.922 174.664 -0.742 25451 6234 1 13 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.806 0.543 25451 6235 1 13 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.527 -0.319 25451 6236 1 13 . 1 1 16 16 VAL H H 16 8.909 8.909 8.958 -0.049 25451 6237 1 13 . 1 1 17 17 VAL N N 17 126.814 126.814 123.740 3.074 25451 6238 1 13 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.157 -0.142 25451 6239 1 13 . 1 1 17 17 VAL C C 17 173.593 173.593 174.287 -0.694 25451 6240 1 13 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.125 -0.244 25451 6241 1 13 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.615 -0.132 25451 6242 1 13 . 1 1 17 17 VAL H H 17 8.359 8.359 8.796 -0.437 25451 6243 1 13 . 1 1 18 18 PHE N N 18 125.697 125.697 124.010 1.687 25451 6244 1 13 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.558 -0.144 25451 6245 1 13 . 1 1 18 18 PHE C C 18 175.364 175.364 175.178 0.186 25451 6246 1 13 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.159 0.970 25451 6247 1 13 . 1 1 18 18 PHE CB C 18 39.336 39.336 42.449 -3.113 25451 6248 1 13 . 1 1 18 18 PHE H H 18 9.015 9.015 9.113 -0.098 25451 6249 1 13 . 1 1 19 19 SER N N 19 120.570 120.570 115.575 4.995 25451 6250 1 13 . 1 1 19 19 SER HA H 19 5.215 5.215 4.724 0.491 25451 6251 1 13 . 1 1 19 19 SER C C 19 173.539 173.539 172.264 1.275 25451 6252 1 13 . 1 1 19 19 SER CA C 19 57.863 57.863 57.351 0.512 25451 6253 1 13 . 1 1 19 19 SER CB C 19 69.512 69.512 65.809 3.703 25451 6254 1 13 . 1 1 19 19 SER H H 19 9.137 9.137 9.004 0.133 25451 6255 1 13 . 1 1 20 20 TRP N N 20 122.520 122.520 121.269 1.251 25451 6256 1 13 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.126 0.819 25451 6257 1 13 . 1 1 20 20 TRP C C 20 178.030 178.030 175.268 2.762 25451 6258 1 13 . 1 1 20 20 TRP CA C 20 54.011 54.011 56.396 -2.385 25451 6259 1 13 . 1 1 20 20 TRP CB C 20 33.190 33.190 32.302 0.888 25451 6260 1 13 . 1 1 20 20 TRP H H 20 8.520 8.520 8.727 -0.207 25451 6261 1 13 . 1 1 21 21 VAL N N 21 124.864 124.864 124.254 0.610 25451 6262 1 13 . 1 1 21 21 VAL C C 21 177.208 177.208 176.407 0.801 25451 6263 1 13 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.696 2.688 25451 6264 1 13 . 1 1 21 21 VAL CB C 21 32.273 32.273 32.546 -0.273 25451 6265 1 13 . 1 1 21 21 VAL H H 21 9.956 9.956 8.115 1.841 25451 6266 1 13 . 1 1 22 22 THR HA H 22 4.542 4.542 4.581 -0.039 25451 6267 1 13 . 1 1 22 22 THR C C 22 174.269 174.269 173.545 0.724 25451 6268 1 13 . 1 1 22 22 THR CA C 22 60.982 60.982 62.040 -1.058 25451 6269 1 13 . 1 1 22 22 THR CB C 22 69.237 69.237 69.406 -0.169 25451 6270 1 13 . 1 1 23 23 CYS N N 23 127.689 127.689 127.059 0.630 25451 6271 1 13 . 1 1 23 23 CYS C C 23 175.054 175.054 174.016 1.038 25451 6272 1 13 . 1 1 23 23 CYS CA C 23 56.396 56.396 55.611 0.785 25451 6273 1 13 . 1 1 23 23 CYS CB C 23 32.273 32.273 29.510 2.763 25451 6274 1 13 . 1 1 23 23 CYS H H 23 7.013 7.013 8.634 -1.621 25451 6275 1 13 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.192 0.109 25451 6276 1 13 . 1 1 24 24 PRO C C 24 180.202 180.202 176.487 3.715 25451 6277 1 13 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.627 -0.160 25451 6278 1 13 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.412 0.770 25451 6279 1 13 . 1 1 25 25 TYR N N 25 126.810 126.810 115.148 11.662 25451 6280 1 13 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.462 -0.152 25451 6281 1 13 . 1 1 25 25 TYR C C 25 178.632 178.632 177.484 1.148 25451 6282 1 13 . 1 1 25 25 TYR CA C 25 61.715 61.715 59.776 1.939 25451 6283 1 13 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.584 0.192 25451 6284 1 13 . 1 1 25 25 TYR H H 25 9.569 9.569 7.467 2.102 25451 6285 1 13 . 1 1 26 26 CYS N N 26 127.984 127.984 119.960 8.024 25451 6286 1 13 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.170 -0.151 25451 6287 1 13 . 1 1 26 26 CYS C C 26 176.642 176.642 176.570 0.072 25451 6288 1 13 . 1 1 26 26 CYS CA C 26 64.559 64.559 62.225 2.334 25451 6289 1 13 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.202 2.036 25451 6290 1 13 . 1 1 26 26 CYS H H 26 9.239 9.239 7.736 1.503 25451 6291 1 13 . 1 1 27 27 VAL N N 27 121.054 121.054 120.745 0.309 25451 6292 1 13 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.604 -0.017 25451 6293 1 13 . 1 1 27 27 VAL C C 27 178.614 178.614 177.122 1.492 25451 6294 1 13 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.875 -0.115 25451 6295 1 13 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.909 0.181 25451 6296 1 13 . 1 1 27 27 VAL H H 27 8.402 8.402 7.803 0.599 25451 6297 1 13 . 1 1 28 28 ARG N N 28 119.686 119.686 119.363 0.323 25451 6298 1 13 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.894 0.067 25451 6299 1 13 . 1 1 28 28 ARG C C 28 178.742 178.742 178.455 0.287 25451 6300 1 13 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.599 0.007 25451 6301 1 13 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.740 0.882 25451 6302 1 13 . 1 1 28 28 ARG H H 28 7.655 7.655 8.079 -0.424 25451 6303 1 13 . 1 1 29 29 ALA N N 29 122.324 122.324 122.586 -0.262 25451 6304 1 13 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.034 -0.023 25451 6305 1 13 . 1 1 29 29 ALA C C 29 178.906 178.906 179.552 -0.646 25451 6306 1 13 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.248 -0.137 25451 6307 1 13 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.353 0.254 25451 6308 1 13 . 1 1 29 29 ALA H H 29 8.175 8.175 8.516 -0.341 25451 6309 1 13 . 1 1 30 30 GLU N N 30 117.151 117.151 118.505 -1.354 25451 6310 1 13 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.761 -0.224 25451 6311 1 13 . 1 1 30 30 GLU C C 30 178.030 178.030 178.761 -0.731 25451 6312 1 13 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.519 1.096 25451 6313 1 13 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.307 0.215 25451 6314 1 13 . 1 1 30 30 GLU H H 30 8.689 8.689 8.542 0.147 25451 6315 1 13 . 1 1 31 31 LYS N N 31 119.597 119.597 120.494 -0.897 25451 6316 1 13 . 1 1 31 31 LYS HA H 31 4.036 4.036 3.974 0.062 25451 6317 1 13 . 1 1 31 31 LYS C C 31 179.746 179.746 178.829 0.917 25451 6318 1 13 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.468 0.321 25451 6319 1 13 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.570 -0.022 25451 6320 1 13 . 1 1 31 31 LYS H H 31 8.359 8.359 7.722 0.637 25451 6321 1 13 . 1 1 32 32 LEU N N 32 121.147 121.147 121.543 -0.396 25451 6322 1 13 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.078 -0.026 25451 6323 1 13 . 1 1 32 32 LEU C C 32 179.198 179.198 178.812 0.386 25451 6324 1 13 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.836 0.669 25451 6325 1 13 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.336 0.843 25451 6326 1 13 . 1 1 32 32 LEU H H 32 7.610 7.610 8.045 -0.435 25451 6327 1 13 . 1 1 33 33 LEU N N 33 118.120 118.120 118.813 -0.693 25451 6328 1 13 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.777 -0.015 25451 6329 1 13 . 1 1 33 33 LEU C C 33 179.234 179.234 178.949 0.285 25451 6330 1 13 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.539 -0.125 25451 6331 1 13 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.416 1.038 25451 6332 1 13 . 1 1 33 33 LEU H H 33 7.904 7.904 8.630 -0.726 25451 6333 1 13 . 1 1 34 34 HIS N N 34 117.939 117.939 117.884 0.055 25451 6334 1 13 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.230 0.403 25451 6335 1 13 . 1 1 34 34 HIS C C 34 176.879 176.879 178.148 -1.269 25451 6336 1 13 . 1 1 34 34 HIS CA C 34 59.422 59.422 58.740 0.682 25451 6337 1 13 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.811 0.261 25451 6338 1 13 . 1 1 34 34 HIS H H 34 8.876 8.876 8.503 0.373 25451 6339 1 13 . 1 1 35 35 ALA N N 35 118.133 118.133 122.240 -4.107 25451 6340 1 13 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.220 0.065 25451 6341 1 13 . 1 1 35 35 ALA C C 35 178.395 178.395 178.944 -0.549 25451 6342 1 13 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.506 -1.321 25451 6343 1 13 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.748 -0.233 25451 6344 1 13 . 1 1 35 35 ALA H H 35 7.229 7.229 8.134 -0.905 25451 6345 1 13 . 1 1 36 36 ARG N N 36 115.692 115.692 116.771 -1.079 25451 6346 1 13 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.537 -0.095 25451 6347 1 13 . 1 1 36 36 ARG C C 36 175.693 175.693 175.460 0.233 25451 6348 1 13 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.563 0.182 25451 6349 1 13 . 1 1 36 36 ARG CB C 36 32.548 32.548 29.802 2.746 25451 6350 1 13 . 1 1 36 36 ARG H H 36 7.647 7.647 8.024 -0.377 25451 6351 1 13 . 1 1 37 37 THR N N 37 114.964 114.964 109.050 5.914 25451 6352 1 13 . 1 1 37 37 THR HA H 37 4.651 4.651 3.845 0.806 25451 6353 1 13 . 1 1 37 37 THR C C 37 170.636 170.636 173.706 -3.070 25451 6354 1 13 . 1 1 37 37 THR CA C 37 60.523 60.523 64.195 -3.672 25451 6355 1 13 . 1 1 37 37 THR CB C 37 68.870 68.870 66.938 1.932 25451 6356 1 13 . 1 1 37 37 THR H H 37 8.087 8.087 7.785 0.302 25451 6357 1 13 . 1 1 38 38 LYS N N 38 121.835 121.835 123.037 -1.202 25451 6358 1 13 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.192 0.475 25451 6359 1 13 . 1 1 38 38 LYS C C 38 178.139 178.139 176.056 2.083 25451 6360 1 13 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.685 -0.390 25451 6361 1 13 . 1 1 38 38 LYS CB C 38 32.732 32.732 31.996 0.736 25451 6362 1 13 . 1 1 38 38 LYS H H 38 8.299 8.299 8.036 0.263 25451 6363 1 13 . 1 1 39 39 ASP N N 39 128.517 128.517 126.785 1.732 25451 6364 1 13 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.483 0.400 25451 6365 1 13 . 1 1 39 39 ASP C C 39 172.754 172.754 175.152 -2.398 25451 6366 1 13 . 1 1 39 39 ASP CA C 39 54.103 54.103 55.247 -1.144 25451 6367 1 13 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.664 0.323 25451 6368 1 13 . 1 1 39 39 ASP H H 39 8.823 8.823 8.465 0.358 25451 6369 1 13 . 1 1 40 40 ILE N N 40 116.959 116.959 124.186 -7.227 25451 6370 1 13 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.957 0.316 25451 6371 1 13 . 1 1 40 40 ILE C C 40 174.470 174.470 175.215 -0.745 25451 6372 1 13 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.027 -1.989 25451 6373 1 13 . 1 1 40 40 ILE CB C 40 41.720 41.720 42.085 -0.365 25451 6374 1 13 . 1 1 40 40 ILE H H 40 7.273 7.273 7.944 -0.671 25451 6375 1 13 . 1 1 41 41 THR N N 41 125.545 125.545 121.970 3.575 25451 6376 1 13 . 1 1 41 41 THR HA H 41 4.260 4.260 4.618 -0.358 25451 6377 1 13 . 1 1 41 41 THR C C 41 171.476 171.476 172.015 -0.539 25451 6378 1 13 . 1 1 41 41 THR CA C 41 61.807 61.807 61.347 0.460 25451 6379 1 13 . 1 1 41 41 THR CB C 41 72.172 72.172 70.951 1.221 25451 6380 1 13 . 1 1 41 41 THR H H 41 8.564 8.564 8.509 0.055 25451 6381 1 13 . 1 1 42 42 VAL N N 42 126.913 126.913 126.339 0.574 25451 6382 1 13 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.859 -0.616 25451 6383 1 13 . 1 1 42 42 VAL C C 42 174.086 174.086 174.240 -0.154 25451 6384 1 13 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.280 0.968 25451 6385 1 13 . 1 1 42 42 VAL CB C 42 32.824 32.824 34.178 -1.354 25451 6386 1 13 . 1 1 42 42 VAL H H 42 8.271 8.271 8.415 -0.144 25451 6387 1 13 . 1 1 43 43 HIS N N 43 127.392 127.392 128.301 -0.909 25451 6388 1 13 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.933 -0.366 25451 6389 1 13 . 1 1 43 43 HIS C C 43 174.543 174.543 174.064 0.479 25451 6390 1 13 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.624 -0.521 25451 6391 1 13 . 1 1 43 43 HIS CB C 43 31.815 31.815 30.797 1.018 25451 6392 1 13 . 1 1 43 43 HIS H H 43 8.829 8.829 8.839 -0.010 25451 6393 1 13 . 1 1 44 44 TYR N N 44 126.221 126.221 127.085 -0.864 25451 6394 1 13 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.940 0.266 25451 6395 1 13 . 1 1 44 44 TYR C C 44 177.865 177.865 177.068 0.797 25451 6396 1 13 . 1 1 44 44 TYR CA C 44 57.313 57.313 58.076 -0.763 25451 6397 1 13 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.169 -1.319 25451 6398 1 13 . 1 1 44 44 TYR H H 44 8.938 8.938 9.189 -0.251 25451 6399 1 13 . 1 1 45 45 VAL N N 45 120.086 120.086 122.551 -2.465 25451 6400 1 13 . 1 1 45 45 VAL HA H 45 4.351 4.351 4.028 0.323 25451 6401 1 13 . 1 1 45 45 VAL C C 45 176.952 176.952 177.154 -0.202 25451 6402 1 13 . 1 1 45 45 VAL CA C 45 63.917 63.917 64.389 -0.473 25451 6403 1 13 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.524 -0.261 25451 6404 1 13 . 1 1 45 45 VAL H H 45 9.037 9.037 8.476 0.561 25451 6405 1 13 . 1 1 46 46 ASP N N 46 118.427 118.427 120.032 -1.605 25451 6406 1 13 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.182 0.227 25451 6407 1 13 . 1 1 46 46 ASP C C 46 176.989 176.989 177.228 -0.239 25451 6408 1 13 . 1 1 46 46 ASP CA C 46 54.745 54.745 56.822 -2.077 25451 6409 1 13 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.736 -3.877 25451 6410 1 13 . 1 1 46 46 ASP H H 46 10.711 10.711 8.037 2.674 25451 6411 1 13 . 1 1 47 47 LYS N N 47 119.396 119.396 116.808 2.588 25451 6412 1 13 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.312 0.230 25451 6413 1 13 . 1 1 47 47 LYS C C 47 176.350 176.350 177.000 -0.650 25451 6414 1 13 . 1 1 47 47 LYS CA C 47 55.020 55.020 56.310 -1.290 25451 6415 1 13 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.376 -0.736 25451 6416 1 13 . 1 1 47 47 LYS H H 47 7.801 7.801 7.909 -0.108 25451 6417 1 13 . 1 1 48 48 MET N N 48 118.957 118.957 122.140 -3.183 25451 6418 1 13 . 1 1 48 48 MET C C 48 177.500 177.500 177.332 0.168 25451 6419 1 13 . 1 1 48 48 MET CA C 48 54.928 54.928 56.316 -1.388 25451 6420 1 13 . 1 1 48 48 MET CB C 48 36.492 36.492 33.311 3.181 25451 6421 1 13 . 1 1 48 48 MET H H 48 7.331 7.331 7.833 -0.502 25451 6422 1 13 . 1 1 49 49 SER HA H 49 4.260 4.260 4.198 0.062 25451 6423 1 13 . 1 1 49 49 SER C C 49 176.898 176.898 176.418 0.480 25451 6424 1 13 . 1 1 49 49 SER CA C 49 61.899 61.899 61.162 0.737 25451 6425 1 13 . 1 1 50 50 GLU N N 50 121.350 121.350 121.671 -0.321 25451 6426 1 13 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.341 0.409 25451 6427 1 13 . 1 1 50 50 GLU C C 50 176.971 176.971 178.320 -1.349 25451 6428 1 13 . 1 1 50 50 GLU CA C 50 56.487 56.487 56.886 -0.399 25451 6429 1 13 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.550 -1.312 25451 6430 1 13 . 1 1 50 50 GLU H H 50 10.024 10.024 8.631 1.393 25451 6431 1 13 . 1 1 51 51 GLY N N 51 109.546 109.546 108.177 1.369 25451 6432 1 13 . 1 1 51 51 GLY C C 51 175.602 175.602 175.665 -0.063 25451 6433 1 13 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.327 1.548 25451 6434 1 13 . 1 1 51 51 GLY H H 51 8.124 8.124 8.216 -0.092 25451 6435 1 13 . 1 1 52 52 GLU N N 52 120.614 120.614 121.368 -0.754 25451 6436 1 13 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.121 0.081 25451 6437 1 13 . 1 1 52 52 GLU C C 52 180.056 180.056 178.914 1.142 25451 6438 1 13 . 1 1 52 52 GLU CA C 52 59.422 59.422 58.989 0.433 25451 6439 1 13 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.137 -0.166 25451 6440 1 13 . 1 1 52 52 GLU H H 52 8.821 8.821 8.384 0.437 25451 6441 1 13 . 1 1 53 53 GLN N N 53 123.591 123.591 118.411 5.180 25451 6442 1 13 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.116 0.028 25451 6443 1 13 . 1 1 53 53 GLN C C 53 179.600 179.600 178.682 0.918 25451 6444 1 13 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.584 0.472 25451 6445 1 13 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.828 -1.141 25451 6446 1 13 . 1 1 53 53 GLN H H 53 8.117 8.117 8.306 -0.189 25451 6447 1 13 . 1 1 54 54 LEU N N 54 120.960 120.960 119.154 1.806 25451 6448 1 13 . 1 1 54 54 LEU HA H 54 4.011 4.011 4.084 -0.073 25451 6449 1 13 . 1 1 54 54 LEU C C 54 179.417 179.417 178.730 0.687 25451 6450 1 13 . 1 1 54 54 LEU CA C 54 57.863 57.863 56.473 1.390 25451 6451 1 13 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.202 0.235 25451 6452 1 13 . 1 1 54 54 LEU H H 54 8.249 8.249 7.480 0.769 25451 6453 1 13 . 1 1 55 55 ARG N N 55 118.038 118.038 120.460 -2.422 25451 6454 1 13 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.964 -0.169 25451 6455 1 13 . 1 1 55 55 ARG C C 55 180.439 180.439 178.688 1.751 25451 6456 1 13 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.792 0.823 25451 6457 1 13 . 1 1 55 55 ARG CB C 55 29.522 29.522 30.023 -0.501 25451 6458 1 13 . 1 1 55 55 ARG H H 55 8.402 8.402 8.780 -0.378 25451 6459 1 13 . 1 1 56 56 GLY N N 56 110.675 110.675 107.692 2.983 25451 6460 1 13 . 1 1 56 56 GLY C C 56 176.350 176.350 176.167 0.183 25451 6461 1 13 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.146 0.078 25451 6462 1 13 . 1 1 56 56 GLY H H 56 8.376 8.376 8.199 0.177 25451 6463 1 13 . 1 1 57 57 GLU N N 57 124.469 124.469 122.371 2.098 25451 6464 1 13 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.007 0.070 25451 6465 1 13 . 1 1 57 57 GLU C C 57 180.184 180.184 179.308 0.876 25451 6466 1 13 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.958 0.648 25451 6467 1 13 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.174 0.805 25451 6468 1 13 . 1 1 57 57 GLU H H 57 8.146 8.146 7.840 0.306 25451 6469 1 13 . 1 1 58 58 ILE N N 58 121.352 121.352 119.951 1.401 25451 6470 1 13 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.807 -0.120 25451 6471 1 13 . 1 1 58 58 ILE C C 58 178.030 178.030 177.790 0.240 25451 6472 1 13 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.192 0.376 25451 6473 1 13 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.886 0.441 25451 6474 1 13 . 1 1 58 58 ILE H H 58 8.201 8.201 7.706 0.495 25451 6475 1 13 . 1 1 59 59 TYR N N 59 121.934 121.934 121.108 0.826 25451 6476 1 13 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.246 -0.111 25451 6477 1 13 . 1 1 59 59 TYR C C 59 178.322 178.322 178.361 -0.039 25451 6478 1 13 . 1 1 59 59 TYR CA C 59 61.991 61.991 62.048 -0.057 25451 6479 1 13 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.755 -0.796 25451 6480 1 13 . 1 1 59 59 TYR H H 59 8.256 8.256 8.265 -0.009 25451 6481 1 13 . 1 1 60 60 GLN N N 60 119.694 119.694 117.136 2.558 25451 6482 1 13 . 1 1 60 60 GLN HA H 60 3.679 3.679 4.000 -0.321 25451 6483 1 13 . 1 1 60 60 GLN C C 60 177.336 177.336 177.237 0.099 25451 6484 1 13 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.297 0.483 25451 6485 1 13 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.450 0.063 25451 6486 1 13 . 1 1 60 60 GLN H H 60 8.512 8.512 8.475 0.037 25451 6487 1 13 . 1 1 61 61 ALA N N 61 117.444 117.444 119.845 -2.401 25451 6488 1 13 . 1 1 61 61 ALA HA H 61 3.969 3.969 4.005 -0.036 25451 6489 1 13 . 1 1 61 61 ALA C C 61 179.180 179.180 178.111 1.069 25451 6490 1 13 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.553 0.183 25451 6491 1 13 . 1 1 61 61 ALA CB C 61 19.157 19.157 19.328 -0.172 25451 6492 1 13 . 1 1 61 61 ALA H H 61 7.749 7.749 7.429 0.320 25451 6493 1 13 . 1 1 62 62 TYR N N 62 113.265 113.265 115.110 -1.845 25451 6494 1 13 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.402 0.123 25451 6495 1 13 . 1 1 62 62 TYR C C 62 175.036 175.036 174.710 0.326 25451 6496 1 13 . 1 1 62 62 TYR CA C 62 57.313 57.313 57.279 0.034 25451 6497 1 13 . 1 1 62 62 TYR CB C 62 38.969 38.969 39.218 -0.249 25451 6498 1 13 . 1 1 62 62 TYR H H 62 7.801 7.801 8.141 -0.340 25451 6499 1 13 . 1 1 63 63 LYS N N 63 117.584 117.584 116.370 1.214 25451 6500 1 13 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.826 0.678 25451 6501 1 13 . 1 1 63 63 LYS C C 63 173.812 173.812 174.233 -0.421 25451 6502 1 13 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.734 -0.063 25451 6503 1 13 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.039 -0.526 25451 6504 1 13 . 1 1 63 63 LYS H H 63 8.098 8.098 7.627 0.471 25451 6505 1 13 . 1 1 64 64 HIS N N 64 118.618 118.618 116.313 2.305 25451 6506 1 13 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.795 0.162 25451 6507 1 13 . 1 1 64 64 HIS C C 64 175.985 175.985 174.326 1.659 25451 6508 1 13 . 1 1 64 64 HIS CA C 64 55.754 55.754 54.867 0.887 25451 6509 1 13 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.577 1.356 25451 6510 1 13 . 1 1 64 64 HIS H H 64 6.524 6.524 7.155 -0.631 25451 6511 1 13 . 1 1 65 65 GLU N N 65 126.723 126.723 119.406 7.317 25451 6512 1 13 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.488 -0.095 25451 6513 1 13 . 1 1 65 65 GLU C C 65 175.346 175.346 176.117 -0.771 25451 6514 1 13 . 1 1 65 65 GLU CA C 65 56.946 56.946 56.641 0.305 25451 6515 1 13 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.144 1.129 25451 6516 1 13 . 1 1 65 65 GLU H H 65 9.188 9.188 8.669 0.519 25451 6517 1 13 . 1 1 66 66 THR N N 66 108.043 108.043 112.799 -4.756 25451 6518 1 13 . 1 1 66 66 THR HA H 66 4.393 4.393 4.700 -0.307 25451 6519 1 13 . 1 1 66 66 THR C C 66 174.579 174.579 172.911 1.668 25451 6520 1 13 . 1 1 66 66 THR CA C 66 59.698 59.698 61.885 -2.187 25451 6521 1 13 . 1 1 66 66 THR CB C 66 71.071 71.071 71.885 -0.814 25451 6522 1 13 . 1 1 66 66 THR H H 66 6.296 6.296 7.597 -1.301 25451 6523 1 13 . 1 1 67 67 VAL N N 67 112.473 112.473 120.753 -8.280 25451 6524 1 13 . 1 1 67 67 VAL C C 67 173.027 173.027 173.742 -0.715 25451 6525 1 13 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.237 -4.190 25451 6526 1 13 . 1 1 67 67 VAL CB C 67 32.182 32.182 32.297 -0.115 25451 6527 1 13 . 1 1 67 67 VAL H H 67 7.688 7.688 8.734 -1.046 25451 6528 1 13 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.428 1.002 25451 6529 1 13 . 1 1 68 68 PRO C C 68 176.405 176.405 175.471 0.934 25451 6530 1 13 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.604 -0.797 25451 6531 1 13 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.426 2.415 25451 6532 1 13 . 1 1 69 69 ALA N N 69 124.309 124.309 121.324 2.985 25451 6533 1 13 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.668 0.140 25451 6534 1 13 . 1 1 69 69 ALA C C 69 175.273 175.273 176.491 -1.218 25451 6535 1 13 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.320 0.031 25451 6536 1 13 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.399 1.326 25451 6537 1 13 . 1 1 69 69 ALA H H 69 8.952 8.952 8.183 0.769 25451 6538 1 13 . 1 1 70 70 ILE N N 70 124.569 124.569 123.102 1.467 25451 6539 1 13 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.765 -0.215 25451 6540 1 13 . 1 1 70 70 ILE C C 70 172.553 172.553 174.124 -1.571 25451 6541 1 13 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.280 1.802 25451 6542 1 13 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.089 -1.020 25451 6543 1 13 . 1 1 70 70 ILE H H 70 8.447 8.447 7.973 0.474 25451 6544 1 13 . 1 1 71 71 PHE N N 71 127.490 127.490 124.675 2.815 25451 6545 1 13 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.630 -0.407 25451 6546 1 13 . 1 1 71 71 PHE C C 71 174.798 174.798 174.908 -0.110 25451 6547 1 13 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.110 0.011 25451 6548 1 13 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.242 -1.155 25451 6549 1 13 . 1 1 71 71 PHE H H 71 9.219 9.219 9.287 -0.068 25451 6550 1 13 . 1 1 72 72 ILE N N 72 118.614 118.614 122.739 -4.125 25451 6551 1 13 . 1 1 72 72 ILE HA H 72 5.107 5.107 4.902 0.205 25451 6552 1 13 . 1 1 72 72 ILE C C 72 177.518 177.518 176.155 1.363 25451 6553 1 13 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.477 0.045 25451 6554 1 13 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.336 0.651 25451 6555 1 13 . 1 1 72 72 ILE H H 72 8.715 8.715 9.162 -0.447 25451 6556 1 13 . 1 1 73 73 ASN N N 73 129.431 129.431 126.922 2.509 25451 6557 1 13 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.386 0.281 25451 6558 1 13 . 1 1 73 73 ASN C C 73 175.273 175.273 175.713 -0.440 25451 6559 1 13 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.562 -0.001 25451 6560 1 13 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.914 0.404 25451 6561 1 13 . 1 1 73 73 ASN H H 73 10.691 10.691 9.517 1.174 25451 6562 1 13 . 1 1 74 74 GLY N N 74 104.235 104.235 103.316 0.919 25451 6563 1 13 . 1 1 74 74 GLY C C 74 172.754 172.754 174.221 -1.467 25451 6564 1 13 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.339 -0.317 25451 6565 1 13 . 1 1 74 74 GLY H H 74 9.529 9.529 8.966 0.563 25451 6566 1 13 . 1 1 75 75 ASN N N 75 119.009 119.009 120.196 -1.187 25451 6567 1 13 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.048 0.050 25451 6568 1 13 . 1 1 75 75 ASN C C 75 174.269 174.269 174.099 0.170 25451 6569 1 13 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.314 -0.688 25451 6570 1 13 . 1 1 75 75 ASN CB C 75 39.978 39.978 39.699 0.279 25451 6571 1 13 . 1 1 75 75 ASN H H 75 8.116 8.116 8.096 0.020 25451 6572 1 13 . 1 1 76 76 PHE N N 76 124.901 124.901 123.306 1.595 25451 6573 1 13 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.578 -0.924 25451 6574 1 13 . 1 1 76 76 PHE C C 76 175.273 175.273 175.249 0.024 25451 6575 1 13 . 1 1 76 76 PHE CA C 76 57.863 57.863 57.415 0.448 25451 6576 1 13 . 1 1 76 76 PHE CB C 76 38.877 38.877 39.953 -1.075 25451 6577 1 13 . 1 1 76 76 PHE H H 76 9.004 9.004 8.680 0.324 25451 6578 1 13 . 1 1 77 77 ILE N N 77 126.459 126.459 127.468 -1.009 25451 6579 1 13 . 1 1 77 77 ILE C C 77 174.506 174.506 173.330 1.176 25451 6580 1 13 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.680 -1.175 25451 6581 1 13 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.010 -3.600 25451 6582 1 13 . 1 1 77 77 ILE H H 77 8.161 8.161 8.280 -0.119 25451 6583 1 13 . 1 1 78 78 GLY C C 78 172.005 172.005 173.371 -1.366 25451 6584 1 13 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.684 -0.129 25451 6585 1 13 . 1 1 79 79 GLY N N 79 109.745 109.745 112.406 -2.661 25451 6586 1 13 . 1 1 79 79 GLY C C 79 174.981 174.981 174.040 0.941 25451 6587 1 13 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.636 -1.173 25451 6588 1 13 . 1 1 79 79 GLY H H 79 9.114 9.114 7.948 1.166 25451 6589 1 13 . 1 1 80 80 CYS N N 80 120.764 120.764 122.894 -2.130 25451 6590 1 13 . 1 1 80 80 CYS C C 80 176.533 176.533 175.937 0.596 25451 6591 1 13 . 1 1 80 80 CYS CA C 80 63.825 63.825 61.244 2.581 25451 6592 1 13 . 1 1 80 80 CYS CB C 80 26.770 26.770 26.593 0.177 25451 6593 1 13 . 1 1 80 80 CYS H H 80 8.571 8.571 8.834 -0.263 25451 6594 1 13 . 1 1 81 81 SER HA H 81 3.903 3.903 4.055 -0.152 25451 6595 1 13 . 1 1 81 81 SER C C 81 177.318 177.318 175.573 1.745 25451 6596 1 13 . 1 1 81 81 SER CA C 81 61.440 61.440 61.940 -0.500 25451 6597 1 13 . 1 1 82 82 ASP N N 82 122.226 122.226 121.238 0.988 25451 6598 1 13 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.381 -0.030 25451 6599 1 13 . 1 1 82 82 ASP C C 82 177.993 177.993 178.317 -0.324 25451 6600 1 13 . 1 1 82 82 ASP CA C 82 57.129 57.129 56.886 0.243 25451 6601 1 13 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.550 0.987 25451 6602 1 13 . 1 1 82 82 ASP H H 82 7.060 7.060 8.078 -1.018 25451 6603 1 13 . 1 1 83 83 LEU N N 83 121.542 121.542 120.669 0.873 25451 6604 1 13 . 1 1 83 83 LEU HA H 83 3.787 3.787 3.984 -0.197 25451 6605 1 13 . 1 1 83 83 LEU C C 83 177.957 177.957 178.333 -0.376 25451 6606 1 13 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.938 -0.075 25451 6607 1 13 . 1 1 83 83 LEU CB C 83 42.087 42.087 42.007 0.080 25451 6608 1 13 . 1 1 83 83 LEU H H 83 7.793 7.793 7.779 0.014 25451 6609 1 13 . 1 1 84 84 GLU N N 84 117.702 117.702 118.695 -0.993 25451 6610 1 13 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.913 -0.093 25451 6611 1 13 . 1 1 84 84 GLU C C 84 179.161 179.161 178.828 0.333 25451 6612 1 13 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.250 0.448 25451 6613 1 13 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.269 0.253 25451 6614 1 13 . 1 1 84 84 GLU H H 84 8.432 8.432 8.489 -0.057 25451 6615 1 13 . 1 1 85 85 ALA N N 85 122.903 122.903 122.168 0.735 25451 6616 1 13 . 1 1 85 85 ALA HA H 85 4.177 4.177 3.991 0.186 25451 6617 1 13 . 1 1 85 85 ALA C C 85 179.892 179.892 179.254 0.638 25451 6618 1 13 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.260 0.035 25451 6619 1 13 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.373 -0.592 25451 6620 1 13 . 1 1 85 85 ALA H H 85 7.890 7.890 8.240 -0.350 25451 6621 1 13 . 1 1 86 86 LEU N N 86 118.087 118.087 118.827 -0.740 25451 6622 1 13 . 1 1 86 86 LEU HA H 86 4.019 4.019 4.006 0.013 25451 6623 1 13 . 1 1 86 86 LEU C C 86 179.764 179.764 178.833 0.931 25451 6624 1 13 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.032 0.648 25451 6625 1 13 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.507 1.314 25451 6626 1 13 . 1 1 86 86 LEU H H 86 7.567 7.567 7.565 0.002 25451 6627 1 13 . 1 1 87 87 ASP N N 87 119.239 119.239 120.158 -0.919 25451 6628 1 13 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.367 0.134 25451 6629 1 13 . 1 1 87 87 ASP C C 87 179.563 179.563 179.061 0.502 25451 6630 1 13 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.312 -0.458 25451 6631 1 13 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.705 1.291 25451 6632 1 13 . 1 1 87 87 ASP H H 87 7.985 7.985 7.685 0.300 25451 6633 1 13 . 1 1 88 88 LYS N N 88 121.741 121.741 119.796 1.945 25451 6634 1 13 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.135 -0.099 25451 6635 1 13 . 1 1 88 88 LYS C C 88 178.778 178.778 178.639 0.139 25451 6636 1 13 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.505 0.642 25451 6637 1 13 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.521 -0.339 25451 6638 1 13 . 1 1 88 88 LYS H H 88 8.461 8.461 7.959 0.502 25451 6639 1 13 . 1 1 89 89 GLU N N 89 115.496 115.496 116.506 -1.010 25451 6640 1 13 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.346 -0.036 25451 6641 1 13 . 1 1 89 89 GLU C C 89 176.806 176.806 176.923 -0.117 25451 6642 1 13 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.077 0.135 25451 6643 1 13 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.777 0.570 25451 6644 1 13 . 1 1 89 89 GLU H H 89 7.838 7.838 7.783 0.055 25451 6645 1 13 . 1 1 90 90 GLY N N 90 108.622 108.622 107.651 0.971 25451 6646 1 13 . 1 1 90 90 GLY C C 90 175.985 175.985 175.222 0.763 25451 6647 1 13 . 1 1 90 90 GLY CA C 90 46.215 46.215 46.159 0.056 25451 6648 1 13 . 1 1 90 90 GLY H H 90 7.992 7.992 7.841 0.151 25451 6649 1 13 . 1 1 91 91 LYS N N 91 117.355 117.355 120.390 -3.035 25451 6650 1 13 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.342 -0.016 25451 6651 1 13 . 1 1 91 91 LYS C C 91 177.518 177.518 177.479 0.039 25451 6652 1 13 . 1 1 91 91 LYS CA C 91 56.487 56.487 57.335 -0.848 25451 6653 1 13 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.640 2.477 25451 6654 1 13 . 1 1 91 91 LYS H H 91 8.047 8.047 8.108 -0.061 25451 6655 1 13 . 1 1 92 92 LEU N N 92 121.641 121.641 120.678 0.963 25451 6656 1 13 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.113 -0.160 25451 6657 1 13 . 1 1 92 92 LEU C C 92 177.518 177.518 177.507 0.011 25451 6658 1 13 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.918 -0.422 25451 6659 1 13 . 1 1 92 92 LEU CB C 92 41.170 41.170 41.940 -0.770 25451 6660 1 13 . 1 1 92 92 LEU H H 92 7.582 7.582 7.594 -0.012 25451 6661 1 13 . 1 1 93 93 ASP N N 93 118.032 118.032 118.867 -0.835 25451 6662 1 13 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.448 -0.230 25451 6663 1 13 . 1 1 93 93 ASP C C 93 179.344 179.344 178.059 1.285 25451 6664 1 13 . 1 1 93 93 ASP CA C 93 57.955 57.955 57.027 0.928 25451 6665 1 13 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.386 -0.500 25451 6666 1 13 . 1 1 93 93 ASP H H 93 8.194 8.194 8.528 -0.334 25451 6667 1 13 . 1 1 94 94 GLY N N 94 107.012 107.012 108.106 -1.094 25451 6668 1 13 . 1 1 94 94 GLY C C 94 176.368 176.368 175.257 1.111 25451 6669 1 13 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.053 0.345 25451 6670 1 13 . 1 1 94 94 GLY H H 94 8.271 8.271 7.974 0.297 25451 6671 1 13 . 1 1 95 95 LEU N N 95 120.472 120.472 119.878 0.594 25451 6672 1 13 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.299 -0.047 25451 6673 1 13 . 1 1 95 95 LEU C C 95 178.285 178.285 176.754 1.531 25451 6674 1 13 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.136 0.351 25451 6675 1 13 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.668 0.061 25451 6676 1 13 . 1 1 95 95 LEU H H 95 7.475 7.475 7.572 -0.097 25451 6677 1 13 . 1 1 96 96 LEU N N 96 116.181 116.181 117.068 -0.887 25451 6678 1 13 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.581 -0.321 25451 6679 1 13 . 1 1 96 96 LEU C C 96 176.186 176.186 175.638 0.548 25451 6680 1 13 . 1 1 96 96 LEU CA C 96 54.561 54.561 53.782 0.779 25451 6681 1 13 . 1 1 96 96 LEU CB C 96 42.271 42.271 44.420 -2.149 25451 6682 1 13 . 1 1 96 96 LEU H H 96 7.394 7.394 7.379 0.015 25451 6683 1 14 . 1 1 5 5 SER HA H 5 4.492 4.492 4.764 -0.272 25451 6684 1 14 . 1 1 5 5 SER C C 5 176.496 176.496 176.085 0.411 25451 6685 1 14 . 1 1 5 5 SER CA C 5 59.422 59.422 56.529 2.893 25451 6686 1 14 . 1 1 5 5 SER CB C 5 64.100 64.100 65.620 -1.520 25451 6687 1 14 . 1 1 6 6 ILE N N 6 120.626 120.626 119.812 0.814 25451 6688 1 14 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.938 -0.127 25451 6689 1 14 . 1 1 6 6 ILE C C 6 176.952 176.952 177.352 -0.400 25451 6690 1 14 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.889 0.211 25451 6691 1 14 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.452 -0.042 25451 6692 1 14 . 1 1 6 6 ILE H H 6 9.168 9.168 8.392 0.776 25451 6693 1 14 . 1 1 7 7 ALA N N 7 122.320 122.320 123.547 -1.227 25451 6694 1 14 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.961 -0.067 25451 6695 1 14 . 1 1 7 7 ALA C C 7 179.837 179.837 179.815 0.022 25451 6696 1 14 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.939 0.264 25451 6697 1 14 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.769 0.379 25451 6698 1 14 . 1 1 7 7 ALA H H 7 7.882 7.882 8.211 -0.329 25451 6699 1 14 . 1 1 8 8 SER N N 8 110.329 110.329 113.544 -3.215 25451 6700 1 14 . 1 1 8 8 SER HA H 8 4.227 4.227 4.193 0.034 25451 6701 1 14 . 1 1 8 8 SER C C 8 177.409 177.409 176.034 1.375 25451 6702 1 14 . 1 1 8 8 SER CA C 8 60.156 60.156 61.347 -1.191 25451 6703 1 14 . 1 1 8 8 SER CB C 8 62.908 62.908 63.091 -0.183 25451 6704 1 14 . 1 1 8 8 SER H H 8 7.647 7.647 7.767 -0.120 25451 6705 1 14 . 1 1 9 9 MET N N 9 122.133 122.133 118.477 3.656 25451 6706 1 14 . 1 1 9 9 MET HA H 9 4.127 4.127 4.190 -0.063 25451 6707 1 14 . 1 1 9 9 MET C C 9 180.841 180.841 177.891 2.950 25451 6708 1 14 . 1 1 9 9 MET CA C 9 59.147 59.147 58.825 0.322 25451 6709 1 14 . 1 1 9 9 MET CB C 9 35.025 35.025 32.874 2.151 25451 6710 1 14 . 1 1 9 9 MET H H 9 7.787 7.787 7.651 0.136 25451 6711 1 14 . 1 1 10 10 ILE N N 10 115.009 115.009 116.935 -1.926 25451 6712 1 14 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.852 -0.090 25451 6713 1 14 . 1 1 10 10 ILE C C 10 174.981 174.981 177.611 -2.630 25451 6714 1 14 . 1 1 10 10 ILE CA C 10 65.293 65.293 63.466 1.827 25451 6715 1 14 . 1 1 10 10 ILE CB C 10 37.776 37.776 37.211 0.565 25451 6716 1 14 . 1 1 10 10 ILE H H 10 8.315 8.315 7.238 1.077 25451 6717 1 14 . 1 1 11 11 LYS N N 11 117.153 117.153 118.155 -1.002 25451 6718 1 14 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.361 0.148 25451 6719 1 14 . 1 1 11 11 LYS C C 11 177.774 177.774 177.512 0.262 25451 6720 1 14 . 1 1 11 11 LYS CA C 11 55.479 55.479 56.951 -1.472 25451 6721 1 14 . 1 1 11 11 LYS CB C 11 32.273 32.273 31.864 0.409 25451 6722 1 14 . 1 1 11 11 LYS H H 11 6.877 6.877 7.534 -0.657 25451 6723 1 14 . 1 1 12 12 GLY N N 12 106.134 106.134 107.255 -1.121 25451 6724 1 14 . 1 1 12 12 GLY C C 12 172.553 172.553 174.721 -2.168 25451 6725 1 14 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.260 1.046 25451 6726 1 14 . 1 1 12 12 GLY H H 12 7.757 7.757 7.995 -0.238 25451 6727 1 14 . 1 1 13 13 ASN N N 13 115.402 115.402 117.014 -1.612 25451 6728 1 14 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.931 -0.339 25451 6729 1 14 . 1 1 13 13 ASN C C 13 174.068 174.068 174.304 -0.236 25451 6730 1 14 . 1 1 13 13 ASN CA C 13 50.159 50.159 51.890 -1.731 25451 6731 1 14 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.218 -0.323 25451 6732 1 14 . 1 1 13 13 ASN H H 13 7.214 7.214 7.726 -0.512 25451 6733 1 14 . 1 1 14 14 LYS N N 14 122.033 122.033 121.296 0.737 25451 6734 1 14 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.354 -0.285 25451 6735 1 14 . 1 1 14 14 LYS C C 14 176.533 176.533 176.097 0.436 25451 6736 1 14 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.798 1.175 25451 6737 1 14 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.478 -1.938 25451 6738 1 14 . 1 1 14 14 LYS H H 14 8.351 8.351 8.571 -0.220 25451 6739 1 14 . 1 1 15 15 VAL N N 15 117.450 117.450 117.655 -0.205 25451 6740 1 14 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.127 -0.103 25451 6741 1 14 . 1 1 15 15 VAL C C 15 174.543 174.543 174.520 0.023 25451 6742 1 14 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.067 0.273 25451 6743 1 14 . 1 1 15 15 VAL CB C 15 32.732 32.732 33.997 -1.265 25451 6744 1 14 . 1 1 15 15 VAL H H 15 8.021 8.021 7.773 0.248 25451 6745 1 14 . 1 1 16 16 VAL N N 16 128.604 128.604 127.088 1.516 25451 6746 1 14 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.045 -0.154 25451 6747 1 14 . 1 1 16 16 VAL C C 16 173.922 173.922 174.424 -0.502 25451 6748 1 14 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.393 0.956 25451 6749 1 14 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.220 -0.012 25451 6750 1 14 . 1 1 16 16 VAL H H 16 8.909 8.909 9.078 -0.169 25451 6751 1 14 . 1 1 17 17 VAL N N 17 126.814 126.814 125.074 1.740 25451 6752 1 14 . 1 1 17 17 VAL HA H 17 5.015 5.015 4.980 0.035 25451 6753 1 14 . 1 1 17 17 VAL C C 17 173.593 173.593 174.397 -0.804 25451 6754 1 14 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.200 -0.319 25451 6755 1 14 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.726 -0.243 25451 6756 1 14 . 1 1 17 17 VAL H H 17 8.359 8.359 8.908 -0.549 25451 6757 1 14 . 1 1 18 18 PHE N N 18 125.697 125.697 124.700 0.997 25451 6758 1 14 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.372 0.042 25451 6759 1 14 . 1 1 18 18 PHE C C 18 175.364 175.364 175.164 0.200 25451 6760 1 14 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.299 0.830 25451 6761 1 14 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.254 -1.917 25451 6762 1 14 . 1 1 18 18 PHE H H 18 9.015 9.015 9.033 -0.018 25451 6763 1 14 . 1 1 19 19 SER N N 19 120.570 120.570 116.319 4.251 25451 6764 1 14 . 1 1 19 19 SER HA H 19 5.215 5.215 4.892 0.323 25451 6765 1 14 . 1 1 19 19 SER C C 19 173.539 173.539 172.949 0.590 25451 6766 1 14 . 1 1 19 19 SER CA C 19 57.863 57.863 56.821 1.042 25451 6767 1 14 . 1 1 19 19 SER CB C 19 69.512 69.512 65.691 3.821 25451 6768 1 14 . 1 1 19 19 SER H H 19 9.137 9.137 8.932 0.205 25451 6769 1 14 . 1 1 20 20 TRP N N 20 122.520 122.520 121.983 0.537 25451 6770 1 14 . 1 1 20 20 TRP HA H 20 5.945 5.945 4.961 0.984 25451 6771 1 14 . 1 1 20 20 TRP C C 20 178.030 178.030 174.118 3.912 25451 6772 1 14 . 1 1 20 20 TRP CA C 20 54.011 54.011 57.388 -3.377 25451 6773 1 14 . 1 1 20 20 TRP CB C 20 33.190 33.190 33.001 0.189 25451 6774 1 14 . 1 1 20 20 TRP H H 20 8.520 8.520 8.108 0.412 25451 6775 1 14 . 1 1 21 21 VAL N N 21 124.864 124.864 122.682 2.182 25451 6776 1 14 . 1 1 21 21 VAL C C 21 177.208 177.208 176.342 0.866 25451 6777 1 14 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.856 2.528 25451 6778 1 14 . 1 1 21 21 VAL CB C 21 32.273 32.273 32.279 -0.006 25451 6779 1 14 . 1 1 21 21 VAL H H 21 9.956 9.956 7.859 2.097 25451 6780 1 14 . 1 1 22 22 THR HA H 22 4.542 4.542 4.537 0.005 25451 6781 1 14 . 1 1 22 22 THR C C 22 174.269 174.269 173.446 0.823 25451 6782 1 14 . 1 1 22 22 THR CA C 22 60.982 60.982 62.169 -1.187 25451 6783 1 14 . 1 1 22 22 THR CB C 22 69.237 69.237 69.542 -0.305 25451 6784 1 14 . 1 1 23 23 CYS N N 23 127.689 127.689 126.858 0.831 25451 6785 1 14 . 1 1 23 23 CYS C C 23 175.054 175.054 173.463 1.591 25451 6786 1 14 . 1 1 23 23 CYS CA C 23 56.396 56.396 56.097 0.299 25451 6787 1 14 . 1 1 23 23 CYS CB C 23 32.273 32.273 29.627 2.646 25451 6788 1 14 . 1 1 23 23 CYS H H 23 7.013 7.013 8.540 -1.527 25451 6789 1 14 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.320 -0.019 25451 6790 1 14 . 1 1 24 24 PRO C C 24 180.202 180.202 176.590 3.612 25451 6791 1 14 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.403 0.064 25451 6792 1 14 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.346 0.836 25451 6793 1 14 . 1 1 25 25 TYR N N 25 126.810 126.810 117.619 9.191 25451 6794 1 14 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.431 -0.121 25451 6795 1 14 . 1 1 25 25 TYR C C 25 178.632 178.632 177.779 0.853 25451 6796 1 14 . 1 1 25 25 TYR CA C 25 61.715 61.715 60.078 1.637 25451 6797 1 14 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.563 0.213 25451 6798 1 14 . 1 1 25 25 TYR H H 25 9.569 9.569 7.466 2.103 25451 6799 1 14 . 1 1 26 26 CYS N N 26 127.984 127.984 119.401 8.583 25451 6800 1 14 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.153 -0.134 25451 6801 1 14 . 1 1 26 26 CYS C C 26 176.642 176.642 176.831 -0.189 25451 6802 1 14 . 1 1 26 26 CYS CA C 26 64.559 64.559 64.475 0.084 25451 6803 1 14 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.774 1.464 25451 6804 1 14 . 1 1 26 26 CYS H H 26 9.239 9.239 8.230 1.009 25451 6805 1 14 . 1 1 27 27 VAL N N 27 121.054 121.054 120.364 0.690 25451 6806 1 14 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.552 0.035 25451 6807 1 14 . 1 1 27 27 VAL C C 27 178.614 178.614 177.401 1.213 25451 6808 1 14 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.790 -0.030 25451 6809 1 14 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.907 0.183 25451 6810 1 14 . 1 1 27 27 VAL H H 27 8.402 8.402 7.849 0.553 25451 6811 1 14 . 1 1 28 28 ARG N N 28 119.686 119.686 118.763 0.923 25451 6812 1 14 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.963 -0.002 25451 6813 1 14 . 1 1 28 28 ARG C C 28 178.742 178.742 178.569 0.173 25451 6814 1 14 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.528 0.078 25451 6815 1 14 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.855 0.767 25451 6816 1 14 . 1 1 28 28 ARG H H 28 7.655 7.655 8.282 -0.627 25451 6817 1 14 . 1 1 29 29 ALA N N 29 122.324 122.324 122.558 -0.234 25451 6818 1 14 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.157 -0.146 25451 6819 1 14 . 1 1 29 29 ALA C C 29 178.906 178.906 179.584 -0.678 25451 6820 1 14 . 1 1 29 29 ALA CA C 29 55.112 55.112 54.938 0.174 25451 6821 1 14 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.473 0.134 25451 6822 1 14 . 1 1 29 29 ALA H H 29 8.175 8.175 7.935 0.240 25451 6823 1 14 . 1 1 30 30 GLU N N 30 117.151 117.151 118.653 -1.502 25451 6824 1 14 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.917 -0.380 25451 6825 1 14 . 1 1 30 30 GLU C C 30 178.030 178.030 179.137 -1.107 25451 6826 1 14 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.567 1.048 25451 6827 1 14 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.465 0.057 25451 6828 1 14 . 1 1 30 30 GLU H H 30 8.689 8.689 8.524 0.165 25451 6829 1 14 . 1 1 31 31 LYS N N 31 119.597 119.597 120.081 -0.484 25451 6830 1 14 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.032 0.004 25451 6831 1 14 . 1 1 31 31 LYS C C 31 179.746 179.746 178.536 1.210 25451 6832 1 14 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.666 0.123 25451 6833 1 14 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.567 -0.019 25451 6834 1 14 . 1 1 31 31 LYS H H 31 8.359 8.359 8.228 0.131 25451 6835 1 14 . 1 1 32 32 LEU N N 32 121.147 121.147 121.441 -0.294 25451 6836 1 14 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.071 -0.019 25451 6837 1 14 . 1 1 32 32 LEU C C 32 179.198 179.198 178.916 0.282 25451 6838 1 14 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.834 0.672 25451 6839 1 14 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.283 0.896 25451 6840 1 14 . 1 1 32 32 LEU H H 32 7.610 7.610 7.714 -0.104 25451 6841 1 14 . 1 1 33 33 LEU N N 33 118.120 118.120 118.419 -0.299 25451 6842 1 14 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.799 -0.037 25451 6843 1 14 . 1 1 33 33 LEU C C 33 179.234 179.234 178.972 0.262 25451 6844 1 14 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.513 -0.099 25451 6845 1 14 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.401 1.053 25451 6846 1 14 . 1 1 33 33 LEU H H 33 7.904 7.904 8.576 -0.672 25451 6847 1 14 . 1 1 34 34 HIS N N 34 117.939 117.939 117.901 0.038 25451 6848 1 14 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.284 0.349 25451 6849 1 14 . 1 1 34 34 HIS C C 34 176.879 176.879 178.070 -1.191 25451 6850 1 14 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.451 -0.029 25451 6851 1 14 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.989 0.083 25451 6852 1 14 . 1 1 34 34 HIS H H 34 8.876 8.876 7.965 0.911 25451 6853 1 14 . 1 1 35 35 ALA N N 35 118.133 118.133 122.037 -3.904 25451 6854 1 14 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.185 0.100 25451 6855 1 14 . 1 1 35 35 ALA C C 35 178.395 178.395 178.792 -0.397 25451 6856 1 14 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.581 -1.396 25451 6857 1 14 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.821 -0.306 25451 6858 1 14 . 1 1 35 35 ALA H H 35 7.229 7.229 8.348 -1.119 25451 6859 1 14 . 1 1 36 36 ARG N N 36 115.692 115.692 115.662 0.030 25451 6860 1 14 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.747 -0.305 25451 6861 1 14 . 1 1 36 36 ARG C C 36 175.693 175.693 175.233 0.460 25451 6862 1 14 . 1 1 36 36 ARG CA C 36 54.745 54.745 53.566 1.179 25451 6863 1 14 . 1 1 36 36 ARG CB C 36 32.548 32.548 29.617 2.931 25451 6864 1 14 . 1 1 36 36 ARG H H 36 7.647 7.647 7.763 -0.116 25451 6865 1 14 . 1 1 37 37 THR N N 37 114.964 114.964 110.435 4.529 25451 6866 1 14 . 1 1 37 37 THR HA H 37 4.651 4.651 3.782 0.869 25451 6867 1 14 . 1 1 37 37 THR C C 37 170.636 170.636 173.455 -2.819 25451 6868 1 14 . 1 1 37 37 THR CA C 37 60.523 60.523 63.324 -2.800 25451 6869 1 14 . 1 1 37 37 THR CB C 37 68.870 68.870 67.140 1.730 25451 6870 1 14 . 1 1 37 37 THR H H 37 8.087 8.087 7.823 0.264 25451 6871 1 14 . 1 1 38 38 LYS N N 38 121.835 121.835 122.035 -0.200 25451 6872 1 14 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.202 0.465 25451 6873 1 14 . 1 1 38 38 LYS C C 38 178.139 178.139 175.814 2.325 25451 6874 1 14 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.453 -0.158 25451 6875 1 14 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.383 0.349 25451 6876 1 14 . 1 1 38 38 LYS H H 38 8.299 8.299 8.077 0.222 25451 6877 1 14 . 1 1 39 39 ASP N N 39 128.517 128.517 126.166 2.351 25451 6878 1 14 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.527 0.356 25451 6879 1 14 . 1 1 39 39 ASP C C 39 172.754 172.754 174.907 -2.153 25451 6880 1 14 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.406 -0.303 25451 6881 1 14 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.795 0.192 25451 6882 1 14 . 1 1 39 39 ASP H H 39 8.823 8.823 8.556 0.267 25451 6883 1 14 . 1 1 40 40 ILE N N 40 116.959 116.959 124.302 -7.343 25451 6884 1 14 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.900 0.373 25451 6885 1 14 . 1 1 40 40 ILE C C 40 174.470 174.470 174.680 -0.210 25451 6886 1 14 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.181 -2.143 25451 6887 1 14 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.806 -0.086 25451 6888 1 14 . 1 1 40 40 ILE H H 40 7.273 7.273 7.689 -0.416 25451 6889 1 14 . 1 1 41 41 THR N N 41 125.545 125.545 124.145 1.400 25451 6890 1 14 . 1 1 41 41 THR HA H 41 4.260 4.260 4.754 -0.494 25451 6891 1 14 . 1 1 41 41 THR C C 41 171.476 171.476 172.355 -0.879 25451 6892 1 14 . 1 1 41 41 THR CA C 41 61.807 61.807 61.454 0.353 25451 6893 1 14 . 1 1 41 41 THR CB C 41 72.172 72.172 70.780 1.392 25451 6894 1 14 . 1 1 41 41 THR H H 41 8.564 8.564 8.697 -0.133 25451 6895 1 14 . 1 1 42 42 VAL N N 42 126.913 126.913 127.046 -0.133 25451 6896 1 14 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.960 -0.717 25451 6897 1 14 . 1 1 42 42 VAL C C 42 174.086 174.086 174.520 -0.434 25451 6898 1 14 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.494 0.754 25451 6899 1 14 . 1 1 42 42 VAL CB C 42 32.824 32.824 34.321 -1.497 25451 6900 1 14 . 1 1 42 42 VAL H H 42 8.271 8.271 8.515 -0.244 25451 6901 1 14 . 1 1 43 43 HIS N N 43 127.392 127.392 129.046 -1.654 25451 6902 1 14 . 1 1 43 43 HIS HA H 43 4.567 4.567 5.062 -0.495 25451 6903 1 14 . 1 1 43 43 HIS C C 43 174.543 174.543 173.587 0.956 25451 6904 1 14 . 1 1 43 43 HIS CA C 43 54.103 54.103 53.892 0.211 25451 6905 1 14 . 1 1 43 43 HIS CB C 43 31.815 31.815 32.974 -1.159 25451 6906 1 14 . 1 1 43 43 HIS H H 43 8.829 8.829 9.053 -0.224 25451 6907 1 14 . 1 1 44 44 TYR N N 44 126.221 126.221 127.094 -0.873 25451 6908 1 14 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.984 0.222 25451 6909 1 14 . 1 1 44 44 TYR C C 44 177.865 177.865 176.987 0.878 25451 6910 1 14 . 1 1 44 44 TYR CA C 44 57.313 57.313 57.113 0.200 25451 6911 1 14 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.849 -1.999 25451 6912 1 14 . 1 1 44 44 TYR H H 44 8.938 8.938 9.319 -0.381 25451 6913 1 14 . 1 1 45 45 VAL N N 45 120.086 120.086 120.739 -0.653 25451 6914 1 14 . 1 1 45 45 VAL HA H 45 4.351 4.351 3.591 0.760 25451 6915 1 14 . 1 1 45 45 VAL C C 45 176.952 176.952 176.804 0.148 25451 6916 1 14 . 1 1 45 45 VAL CA C 45 63.917 63.917 64.332 -0.415 25451 6917 1 14 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.266 -0.002 25451 6918 1 14 . 1 1 45 45 VAL H H 45 9.037 9.037 7.942 1.095 25451 6919 1 14 . 1 1 46 46 ASP N N 46 118.427 118.427 119.617 -1.190 25451 6920 1 14 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.419 -0.010 25451 6921 1 14 . 1 1 46 46 ASP C C 46 176.989 176.989 177.239 -0.250 25451 6922 1 14 . 1 1 46 46 ASP CA C 46 54.745 54.745 56.316 -1.571 25451 6923 1 14 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.724 -3.865 25451 6924 1 14 . 1 1 46 46 ASP H H 46 10.711 10.711 8.668 2.043 25451 6925 1 14 . 1 1 47 47 LYS N N 47 119.396 119.396 117.796 1.600 25451 6926 1 14 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.293 0.249 25451 6927 1 14 . 1 1 47 47 LYS C C 47 176.350 176.350 177.237 -0.887 25451 6928 1 14 . 1 1 47 47 LYS CA C 47 55.020 55.020 56.994 -1.974 25451 6929 1 14 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.171 -0.531 25451 6930 1 14 . 1 1 47 47 LYS H H 47 7.801 7.801 7.936 -0.135 25451 6931 1 14 . 1 1 48 48 MET N N 48 118.957 118.957 117.069 1.888 25451 6932 1 14 . 1 1 48 48 MET C C 48 177.500 177.500 177.721 -0.221 25451 6933 1 14 . 1 1 48 48 MET CA C 48 54.928 54.928 54.372 0.556 25451 6934 1 14 . 1 1 48 48 MET CB C 48 36.492 36.492 33.864 2.628 25451 6935 1 14 . 1 1 48 48 MET H H 48 7.331 7.331 7.868 -0.537 25451 6936 1 14 . 1 1 49 49 SER HA H 49 4.260 4.260 4.219 0.041 25451 6937 1 14 . 1 1 49 49 SER C C 49 176.898 176.898 176.611 0.287 25451 6938 1 14 . 1 1 49 49 SER CA C 49 61.899 61.899 61.546 0.353 25451 6939 1 14 . 1 1 50 50 GLU N N 50 121.350 121.350 121.597 -0.247 25451 6940 1 14 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.261 0.489 25451 6941 1 14 . 1 1 50 50 GLU C C 50 176.971 176.971 179.012 -2.041 25451 6942 1 14 . 1 1 50 50 GLU CA C 50 56.487 56.487 57.515 -1.028 25451 6943 1 14 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.518 -1.280 25451 6944 1 14 . 1 1 50 50 GLU H H 50 10.024 10.024 8.046 1.978 25451 6945 1 14 . 1 1 51 51 GLY N N 51 109.546 109.546 108.498 1.048 25451 6946 1 14 . 1 1 51 51 GLY C C 51 175.602 175.602 175.781 -0.179 25451 6947 1 14 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.085 1.790 25451 6948 1 14 . 1 1 51 51 GLY H H 51 8.124 8.124 8.066 0.058 25451 6949 1 14 . 1 1 52 52 GLU N N 52 120.614 120.614 120.773 -0.159 25451 6950 1 14 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.045 0.157 25451 6951 1 14 . 1 1 52 52 GLU C C 52 180.056 180.056 178.922 1.134 25451 6952 1 14 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.369 0.053 25451 6953 1 14 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.083 -0.112 25451 6954 1 14 . 1 1 52 52 GLU H H 52 8.821 8.821 7.892 0.929 25451 6955 1 14 . 1 1 53 53 GLN N N 53 123.591 123.591 119.420 4.171 25451 6956 1 14 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.138 0.006 25451 6957 1 14 . 1 1 53 53 GLN C C 53 179.600 179.600 178.449 1.151 25451 6958 1 14 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.603 0.453 25451 6959 1 14 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.781 -1.094 25451 6960 1 14 . 1 1 53 53 GLN H H 53 8.117 8.117 8.002 0.115 25451 6961 1 14 . 1 1 54 54 LEU N N 54 120.960 120.960 119.511 1.449 25451 6962 1 14 . 1 1 54 54 LEU HA H 54 4.011 4.011 4.077 -0.066 25451 6963 1 14 . 1 1 54 54 LEU C C 54 179.417 179.417 178.987 0.430 25451 6964 1 14 . 1 1 54 54 LEU CA C 54 57.863 57.863 56.788 1.075 25451 6965 1 14 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.807 -0.371 25451 6966 1 14 . 1 1 54 54 LEU H H 54 8.249 8.249 7.441 0.808 25451 6967 1 14 . 1 1 55 55 ARG N N 55 118.038 118.038 120.186 -2.148 25451 6968 1 14 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.877 -0.082 25451 6969 1 14 . 1 1 55 55 ARG C C 55 180.439 180.439 178.485 1.954 25451 6970 1 14 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.710 0.905 25451 6971 1 14 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.876 -0.354 25451 6972 1 14 . 1 1 55 55 ARG H H 55 8.402 8.402 8.727 -0.325 25451 6973 1 14 . 1 1 56 56 GLY N N 56 110.675 110.675 106.586 4.089 25451 6974 1 14 . 1 1 56 56 GLY C C 56 176.350 176.350 176.066 0.284 25451 6975 1 14 . 1 1 56 56 GLY CA C 56 47.224 47.224 46.999 0.225 25451 6976 1 14 . 1 1 56 56 GLY H H 56 8.376 8.376 7.934 0.442 25451 6977 1 14 . 1 1 57 57 GLU N N 57 124.469 124.469 122.312 2.157 25451 6978 1 14 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.036 0.041 25451 6979 1 14 . 1 1 57 57 GLU C C 57 180.184 180.184 179.038 1.146 25451 6980 1 14 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.795 0.811 25451 6981 1 14 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.140 0.840 25451 6982 1 14 . 1 1 57 57 GLU H H 57 8.146 8.146 7.603 0.543 25451 6983 1 14 . 1 1 58 58 ILE N N 58 121.352 121.352 120.105 1.247 25451 6984 1 14 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.808 -0.121 25451 6985 1 14 . 1 1 58 58 ILE C C 58 178.030 178.030 177.957 0.073 25451 6986 1 14 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.332 0.237 25451 6987 1 14 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.786 0.541 25451 6988 1 14 . 1 1 58 58 ILE H H 58 8.201 8.201 7.443 0.758 25451 6989 1 14 . 1 1 59 59 TYR N N 59 121.934 121.934 120.787 1.147 25451 6990 1 14 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.319 -0.184 25451 6991 1 14 . 1 1 59 59 TYR C C 59 178.322 178.322 178.379 -0.057 25451 6992 1 14 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.945 0.046 25451 6993 1 14 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.725 -0.765 25451 6994 1 14 . 1 1 59 59 TYR H H 59 8.256 8.256 8.197 0.059 25451 6995 1 14 . 1 1 60 60 GLN N N 60 119.694 119.694 118.305 1.389 25451 6996 1 14 . 1 1 60 60 GLN HA H 60 3.679 3.679 3.917 -0.238 25451 6997 1 14 . 1 1 60 60 GLN C C 60 177.336 177.336 177.655 -0.319 25451 6998 1 14 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.585 0.195 25451 6999 1 14 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.717 -0.204 25451 7000 1 14 . 1 1 60 60 GLN H H 60 8.512 8.512 8.093 0.419 25451 7001 1 14 . 1 1 61 61 ALA N N 61 117.444 117.444 120.092 -2.648 25451 7002 1 14 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.914 0.055 25451 7003 1 14 . 1 1 61 61 ALA C C 61 179.180 179.180 178.051 1.129 25451 7004 1 14 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.657 0.079 25451 7005 1 14 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.765 0.392 25451 7006 1 14 . 1 1 61 61 ALA H H 61 7.749 7.749 7.399 0.350 25451 7007 1 14 . 1 1 62 62 TYR N N 62 113.265 113.265 113.214 0.051 25451 7008 1 14 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.704 -0.179 25451 7009 1 14 . 1 1 62 62 TYR C C 62 175.036 175.036 175.307 -0.271 25451 7010 1 14 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.635 0.679 25451 7011 1 14 . 1 1 62 62 TYR CB C 62 38.969 38.969 38.704 0.265 25451 7012 1 14 . 1 1 62 62 TYR H H 62 7.801 7.801 7.605 0.196 25451 7013 1 14 . 1 1 63 63 LYS N N 63 117.584 117.584 115.109 2.475 25451 7014 1 14 . 1 1 63 63 LYS HA H 63 3.504 3.504 3.158 0.346 25451 7015 1 14 . 1 1 63 63 LYS C C 63 173.812 173.812 174.636 -0.824 25451 7016 1 14 . 1 1 63 63 LYS CA C 63 56.671 56.671 57.053 -0.382 25451 7017 1 14 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.261 -0.748 25451 7018 1 14 . 1 1 63 63 LYS H H 63 8.098 8.098 7.889 0.209 25451 7019 1 14 . 1 1 64 64 HIS N N 64 118.618 118.618 116.008 2.610 25451 7020 1 14 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.608 0.349 25451 7021 1 14 . 1 1 64 64 HIS C C 64 175.985 175.985 174.274 1.711 25451 7022 1 14 . 1 1 64 64 HIS CA C 64 55.754 55.754 55.067 0.687 25451 7023 1 14 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.788 1.145 25451 7024 1 14 . 1 1 64 64 HIS H H 64 6.524 6.524 7.014 -0.490 25451 7025 1 14 . 1 1 65 65 GLU N N 65 126.723 126.723 119.799 6.924 25451 7026 1 14 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.466 -0.073 25451 7027 1 14 . 1 1 65 65 GLU C C 65 175.346 175.346 175.895 -0.549 25451 7028 1 14 . 1 1 65 65 GLU CA C 65 56.946 56.946 56.594 0.352 25451 7029 1 14 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.125 1.149 25451 7030 1 14 . 1 1 65 65 GLU H H 65 9.188 9.188 8.555 0.633 25451 7031 1 14 . 1 1 66 66 THR N N 66 108.043 108.043 113.086 -5.043 25451 7032 1 14 . 1 1 66 66 THR HA H 66 4.393 4.393 4.776 -0.383 25451 7033 1 14 . 1 1 66 66 THR C C 66 174.579 174.579 172.799 1.780 25451 7034 1 14 . 1 1 66 66 THR CA C 66 59.698 59.698 61.666 -1.968 25451 7035 1 14 . 1 1 66 66 THR CB C 66 71.071 71.071 71.088 -0.018 25451 7036 1 14 . 1 1 66 66 THR H H 66 6.296 6.296 7.559 -1.263 25451 7037 1 14 . 1 1 67 67 VAL N N 67 112.473 112.473 118.336 -5.863 25451 7038 1 14 . 1 1 67 67 VAL C C 67 173.027 173.027 174.301 -1.274 25451 7039 1 14 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.298 -4.251 25451 7040 1 14 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.279 0.903 25451 7041 1 14 . 1 1 67 67 VAL H H 67 7.688 7.688 8.591 -0.903 25451 7042 1 14 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.491 0.939 25451 7043 1 14 . 1 1 68 68 PRO C C 68 176.405 176.405 175.786 0.619 25451 7044 1 14 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.547 -0.740 25451 7045 1 14 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.370 2.471 25451 7046 1 14 . 1 1 69 69 ALA N N 69 124.309 124.309 121.478 2.831 25451 7047 1 14 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.739 0.069 25451 7048 1 14 . 1 1 69 69 ALA C C 69 175.273 175.273 176.393 -1.120 25451 7049 1 14 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.465 -0.114 25451 7050 1 14 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.319 1.406 25451 7051 1 14 . 1 1 69 69 ALA H H 69 8.952 8.952 7.915 1.037 25451 7052 1 14 . 1 1 70 70 ILE N N 70 124.569 124.569 123.132 1.437 25451 7053 1 14 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.874 -0.324 25451 7054 1 14 . 1 1 70 70 ILE C C 70 172.553 172.553 174.156 -1.603 25451 7055 1 14 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.316 1.766 25451 7056 1 14 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.265 -1.196 25451 7057 1 14 . 1 1 70 70 ILE H H 70 8.447 8.447 8.497 -0.050 25451 7058 1 14 . 1 1 71 71 PHE N N 71 127.490 127.490 123.906 3.584 25451 7059 1 14 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.622 -0.399 25451 7060 1 14 . 1 1 71 71 PHE C C 71 174.798 174.798 174.735 0.063 25451 7061 1 14 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.134 -0.013 25451 7062 1 14 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.834 -1.747 25451 7063 1 14 . 1 1 71 71 PHE H H 71 9.219 9.219 9.340 -0.121 25451 7064 1 14 . 1 1 72 72 ILE N N 72 118.614 118.614 121.656 -3.042 25451 7065 1 14 . 1 1 72 72 ILE HA H 72 5.107 5.107 5.014 0.093 25451 7066 1 14 . 1 1 72 72 ILE C C 72 177.518 177.518 176.059 1.459 25451 7067 1 14 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.555 -0.032 25451 7068 1 14 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.657 0.329 25451 7069 1 14 . 1 1 72 72 ILE H H 72 8.715 8.715 9.231 -0.516 25451 7070 1 14 . 1 1 73 73 ASN N N 73 129.431 129.431 125.561 3.870 25451 7071 1 14 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.432 0.235 25451 7072 1 14 . 1 1 73 73 ASN C C 73 175.273 175.273 175.421 -0.148 25451 7073 1 14 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.651 -0.090 25451 7074 1 14 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.578 0.740 25451 7075 1 14 . 1 1 73 73 ASN H H 73 10.691 10.691 9.516 1.175 25451 7076 1 14 . 1 1 74 74 GLY N N 74 104.235 104.235 103.247 0.988 25451 7077 1 14 . 1 1 74 74 GLY C C 74 172.754 172.754 174.264 -1.510 25451 7078 1 14 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.399 -0.377 25451 7079 1 14 . 1 1 74 74 GLY H H 74 9.529 9.529 8.509 1.020 25451 7080 1 14 . 1 1 75 75 ASN N N 75 119.009 119.009 119.549 -0.540 25451 7081 1 14 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.106 -0.008 25451 7082 1 14 . 1 1 75 75 ASN C C 75 174.269 174.269 173.821 0.448 25451 7083 1 14 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.331 -0.706 25451 7084 1 14 . 1 1 75 75 ASN CB C 75 39.978 39.978 40.478 -0.500 25451 7085 1 14 . 1 1 75 75 ASN H H 75 8.116 8.116 8.081 0.035 25451 7086 1 14 . 1 1 76 76 PHE N N 76 124.901 124.901 122.360 2.541 25451 7087 1 14 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.653 -0.999 25451 7088 1 14 . 1 1 76 76 PHE C C 76 175.273 175.273 174.642 0.631 25451 7089 1 14 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.003 1.860 25451 7090 1 14 . 1 1 76 76 PHE CB C 76 38.877 38.877 40.515 -1.638 25451 7091 1 14 . 1 1 76 76 PHE H H 76 9.004 9.004 8.495 0.509 25451 7092 1 14 . 1 1 77 77 ILE N N 77 126.459 126.459 125.750 0.709 25451 7093 1 14 . 1 1 77 77 ILE C C 77 174.506 174.506 173.038 1.468 25451 7094 1 14 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.726 -1.221 25451 7095 1 14 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.779 -4.369 25451 7096 1 14 . 1 1 77 77 ILE H H 77 8.161 8.161 8.209 -0.048 25451 7097 1 14 . 1 1 78 78 GLY C C 78 172.005 172.005 173.280 -1.275 25451 7098 1 14 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.651 -0.096 25451 7099 1 14 . 1 1 79 79 GLY N N 79 109.745 109.745 112.466 -2.721 25451 7100 1 14 . 1 1 79 79 GLY C C 79 174.981 174.981 173.949 1.032 25451 7101 1 14 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.736 -1.273 25451 7102 1 14 . 1 1 79 79 GLY H H 79 9.114 9.114 7.815 1.299 25451 7103 1 14 . 1 1 80 80 CYS N N 80 120.764 120.764 121.952 -1.188 25451 7104 1 14 . 1 1 80 80 CYS C C 80 176.533 176.533 175.782 0.751 25451 7105 1 14 . 1 1 80 80 CYS CA C 80 63.825 63.825 61.645 2.180 25451 7106 1 14 . 1 1 80 80 CYS CB C 80 26.770 26.770 26.657 0.113 25451 7107 1 14 . 1 1 80 80 CYS H H 80 8.571 8.571 8.783 -0.212 25451 7108 1 14 . 1 1 81 81 SER HA H 81 3.903 3.903 4.121 -0.218 25451 7109 1 14 . 1 1 81 81 SER C C 81 177.318 177.318 175.654 1.664 25451 7110 1 14 . 1 1 81 81 SER CA C 81 61.440 61.440 62.163 -0.723 25451 7111 1 14 . 1 1 82 82 ASP N N 82 122.226 122.226 121.787 0.439 25451 7112 1 14 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.400 -0.049 25451 7113 1 14 . 1 1 82 82 ASP C C 82 177.993 177.993 178.328 -0.335 25451 7114 1 14 . 1 1 82 82 ASP CA C 82 57.129 57.129 56.641 0.488 25451 7115 1 14 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.492 1.045 25451 7116 1 14 . 1 1 82 82 ASP H H 82 7.060 7.060 8.112 -1.052 25451 7117 1 14 . 1 1 83 83 LEU N N 83 121.542 121.542 120.686 0.856 25451 7118 1 14 . 1 1 83 83 LEU HA H 83 3.787 3.787 4.010 -0.223 25451 7119 1 14 . 1 1 83 83 LEU C C 83 177.957 177.957 178.355 -0.398 25451 7120 1 14 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.887 -0.024 25451 7121 1 14 . 1 1 83 83 LEU CB C 83 42.087 42.087 42.020 0.068 25451 7122 1 14 . 1 1 83 83 LEU H H 83 7.793 7.793 7.813 -0.020 25451 7123 1 14 . 1 1 84 84 GLU N N 84 117.702 117.702 118.849 -1.147 25451 7124 1 14 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.888 -0.068 25451 7125 1 14 . 1 1 84 84 GLU C C 84 179.161 179.161 178.792 0.369 25451 7126 1 14 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.372 0.326 25451 7127 1 14 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.321 0.201 25451 7128 1 14 . 1 1 84 84 GLU H H 84 8.432 8.432 8.536 -0.104 25451 7129 1 14 . 1 1 85 85 ALA N N 85 122.903 122.903 122.046 0.857 25451 7130 1 14 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.070 0.107 25451 7131 1 14 . 1 1 85 85 ALA C C 85 179.892 179.892 179.542 0.350 25451 7132 1 14 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.098 0.197 25451 7133 1 14 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.205 -0.424 25451 7134 1 14 . 1 1 85 85 ALA H H 85 7.890 7.890 8.164 -0.274 25451 7135 1 14 . 1 1 86 86 LEU N N 86 118.087 118.087 118.389 -0.302 25451 7136 1 14 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.940 0.079 25451 7137 1 14 . 1 1 86 86 LEU C C 86 179.764 179.764 178.656 1.108 25451 7138 1 14 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.087 0.593 25451 7139 1 14 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.412 1.409 25451 7140 1 14 . 1 1 86 86 LEU H H 86 7.567 7.567 7.503 0.064 25451 7141 1 14 . 1 1 87 87 ASP N N 87 119.239 119.239 120.555 -1.316 25451 7142 1 14 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.369 0.132 25451 7143 1 14 . 1 1 87 87 ASP C C 87 179.563 179.563 179.000 0.563 25451 7144 1 14 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.386 -0.532 25451 7145 1 14 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.710 1.286 25451 7146 1 14 . 1 1 87 87 ASP H H 87 7.985 7.985 7.812 0.173 25451 7147 1 14 . 1 1 88 88 LYS N N 88 121.741 121.741 119.640 2.101 25451 7148 1 14 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.134 -0.098 25451 7149 1 14 . 1 1 88 88 LYS C C 88 178.778 178.778 178.318 0.460 25451 7150 1 14 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.374 0.773 25451 7151 1 14 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.446 -0.264 25451 7152 1 14 . 1 1 88 88 LYS H H 88 8.461 8.461 8.115 0.346 25451 7153 1 14 . 1 1 89 89 GLU N N 89 115.496 115.496 116.408 -0.912 25451 7154 1 14 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.401 -0.091 25451 7155 1 14 . 1 1 89 89 GLU C C 89 176.806 176.806 176.574 0.232 25451 7156 1 14 . 1 1 89 89 GLU CA C 89 56.212 56.212 55.825 0.387 25451 7157 1 14 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.672 0.675 25451 7158 1 14 . 1 1 89 89 GLU H H 89 7.838 7.838 7.567 0.271 25451 7159 1 14 . 1 1 90 90 GLY N N 90 108.622 108.622 108.140 0.482 25451 7160 1 14 . 1 1 90 90 GLY C C 90 175.985 175.985 175.340 0.645 25451 7161 1 14 . 1 1 90 90 GLY CA C 90 46.215 46.215 46.310 -0.096 25451 7162 1 14 . 1 1 90 90 GLY H H 90 7.992 7.992 8.049 -0.057 25451 7163 1 14 . 1 1 91 91 LYS N N 91 117.355 117.355 119.638 -2.283 25451 7164 1 14 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.272 0.054 25451 7165 1 14 . 1 1 91 91 LYS C C 91 177.518 177.518 177.018 0.500 25451 7166 1 14 . 1 1 91 91 LYS CA C 91 56.487 56.487 57.343 -0.856 25451 7167 1 14 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.678 2.439 25451 7168 1 14 . 1 1 91 91 LYS H H 91 8.047 8.047 8.153 -0.106 25451 7169 1 14 . 1 1 92 92 LEU N N 92 121.641 121.641 120.672 0.969 25451 7170 1 14 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.067 -0.114 25451 7171 1 14 . 1 1 92 92 LEU C C 92 177.518 177.518 177.681 -0.163 25451 7172 1 14 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.734 -0.238 25451 7173 1 14 . 1 1 92 92 LEU CB C 92 41.170 41.170 41.855 -0.685 25451 7174 1 14 . 1 1 92 92 LEU H H 92 7.582 7.582 7.422 0.160 25451 7175 1 14 . 1 1 93 93 ASP N N 93 118.032 118.032 119.093 -1.061 25451 7176 1 14 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.366 -0.148 25451 7177 1 14 . 1 1 93 93 ASP C C 93 179.344 179.344 178.565 0.779 25451 7178 1 14 . 1 1 93 93 ASP CA C 93 57.955 57.955 58.080 -0.125 25451 7179 1 14 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.318 -0.432 25451 7180 1 14 . 1 1 93 93 ASP H H 93 8.194 8.194 8.397 -0.203 25451 7181 1 14 . 1 1 94 94 GLY N N 94 107.012 107.012 108.194 -1.182 25451 7182 1 14 . 1 1 94 94 GLY C C 94 176.368 176.368 175.470 0.898 25451 7183 1 14 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.737 -0.340 25451 7184 1 14 . 1 1 94 94 GLY H H 94 8.271 8.271 8.065 0.206 25451 7185 1 14 . 1 1 95 95 LEU N N 95 120.472 120.472 120.010 0.462 25451 7186 1 14 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.334 -0.082 25451 7187 1 14 . 1 1 95 95 LEU C C 95 178.285 178.285 177.672 0.613 25451 7188 1 14 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.412 0.075 25451 7189 1 14 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.503 0.226 25451 7190 1 14 . 1 1 95 95 LEU H H 95 7.475 7.475 7.558 -0.083 25451 7191 1 14 . 1 1 96 96 LEU N N 96 116.181 116.181 117.114 -0.933 25451 7192 1 14 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.365 -0.105 25451 7193 1 14 . 1 1 96 96 LEU C C 96 176.186 176.186 177.466 -1.280 25451 7194 1 14 . 1 1 96 96 LEU CA C 96 54.561 54.561 54.791 -0.230 25451 7195 1 14 . 1 1 96 96 LEU CB C 96 42.271 42.271 42.118 0.153 25451 7196 1 14 . 1 1 96 96 LEU H H 96 7.394 7.394 7.231 0.163 25451 7197 1 15 . 1 1 5 5 SER HA H 5 4.492 4.492 4.677 -0.185 25451 7198 1 15 . 1 1 5 5 SER C C 5 176.496 176.496 175.789 0.707 25451 7199 1 15 . 1 1 5 5 SER CA C 5 59.422 59.422 56.610 2.812 25451 7200 1 15 . 1 1 5 5 SER CB C 5 64.100 64.100 65.499 -1.399 25451 7201 1 15 . 1 1 6 6 ILE N N 6 120.626 120.626 118.088 2.538 25451 7202 1 15 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.986 -0.175 25451 7203 1 15 . 1 1 6 6 ILE C C 6 176.952 176.952 176.921 0.031 25451 7204 1 15 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.406 0.694 25451 7205 1 15 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.694 -0.284 25451 7206 1 15 . 1 1 6 6 ILE H H 6 9.168 9.168 8.741 0.427 25451 7207 1 15 . 1 1 7 7 ALA N N 7 122.320 122.320 123.021 -0.701 25451 7208 1 15 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.842 0.052 25451 7209 1 15 . 1 1 7 7 ALA C C 7 179.837 179.837 179.135 0.702 25451 7210 1 15 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.675 0.528 25451 7211 1 15 . 1 1 7 7 ALA CB C 7 18.148 18.148 18.249 -0.101 25451 7212 1 15 . 1 1 7 7 ALA H H 7 7.882 7.882 7.610 0.272 25451 7213 1 15 . 1 1 8 8 SER N N 8 110.329 110.329 113.537 -3.208 25451 7214 1 15 . 1 1 8 8 SER HA H 8 4.227 4.227 4.254 -0.027 25451 7215 1 15 . 1 1 8 8 SER C C 8 177.409 177.409 176.634 0.775 25451 7216 1 15 . 1 1 8 8 SER CA C 8 60.156 60.156 61.462 -1.306 25451 7217 1 15 . 1 1 8 8 SER CB C 8 62.908 62.908 63.232 -0.324 25451 7218 1 15 . 1 1 8 8 SER H H 8 7.647 7.647 7.668 -0.021 25451 7219 1 15 . 1 1 9 9 MET N N 9 122.133 122.133 122.185 -0.052 25451 7220 1 15 . 1 1 9 9 MET HA H 9 4.127 4.127 4.231 -0.104 25451 7221 1 15 . 1 1 9 9 MET C C 9 180.841 180.841 177.754 3.087 25451 7222 1 15 . 1 1 9 9 MET CA C 9 59.147 59.147 58.512 0.635 25451 7223 1 15 . 1 1 9 9 MET CB C 9 35.025 35.025 32.446 2.579 25451 7224 1 15 . 1 1 9 9 MET H H 9 7.787 7.787 7.703 0.084 25451 7225 1 15 . 1 1 10 10 ILE N N 10 115.009 115.009 118.638 -3.629 25451 7226 1 15 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.683 0.079 25451 7227 1 15 . 1 1 10 10 ILE C C 10 174.981 174.981 176.922 -1.941 25451 7228 1 15 . 1 1 10 10 ILE CA C 10 65.293 65.293 63.840 1.452 25451 7229 1 15 . 1 1 10 10 ILE CB C 10 37.776 37.776 37.013 0.763 25451 7230 1 15 . 1 1 10 10 ILE H H 10 8.315 8.315 7.805 0.510 25451 7231 1 15 . 1 1 11 11 LYS N N 11 117.153 117.153 118.290 -1.137 25451 7232 1 15 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.316 0.193 25451 7233 1 15 . 1 1 11 11 LYS C C 11 177.774 177.774 177.721 0.053 25451 7234 1 15 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.321 -1.841 25451 7235 1 15 . 1 1 11 11 LYS CB C 11 32.273 32.273 31.876 0.397 25451 7236 1 15 . 1 1 11 11 LYS H H 11 6.877 6.877 7.444 -0.567 25451 7237 1 15 . 1 1 12 12 GLY N N 12 106.134 106.134 107.019 -0.885 25451 7238 1 15 . 1 1 12 12 GLY C C 12 172.553 172.553 174.305 -1.752 25451 7239 1 15 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.035 1.271 25451 7240 1 15 . 1 1 12 12 GLY H H 12 7.757 7.757 7.918 -0.161 25451 7241 1 15 . 1 1 13 13 ASN N N 13 115.402 115.402 117.746 -2.344 25451 7242 1 15 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.893 -0.301 25451 7243 1 15 . 1 1 13 13 ASN C C 13 174.068 174.068 175.385 -1.317 25451 7244 1 15 . 1 1 13 13 ASN CA C 13 50.159 50.159 51.592 -1.433 25451 7245 1 15 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.102 -0.207 25451 7246 1 15 . 1 1 13 13 ASN H H 13 7.214 7.214 7.606 -0.392 25451 7247 1 15 . 1 1 14 14 LYS N N 14 122.033 122.033 121.518 0.515 25451 7248 1 15 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.185 -0.116 25451 7249 1 15 . 1 1 14 14 LYS C C 14 176.533 176.533 176.182 0.351 25451 7250 1 15 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.775 1.198 25451 7251 1 15 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.095 -1.555 25451 7252 1 15 . 1 1 14 14 LYS H H 14 8.351 8.351 8.605 -0.254 25451 7253 1 15 . 1 1 15 15 VAL N N 15 117.450 117.450 116.900 0.550 25451 7254 1 15 . 1 1 15 15 VAL HA H 15 5.024 5.024 4.986 0.038 25451 7255 1 15 . 1 1 15 15 VAL C C 15 174.543 174.543 174.313 0.230 25451 7256 1 15 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.000 0.340 25451 7257 1 15 . 1 1 15 15 VAL CB C 15 32.732 32.732 35.308 -2.576 25451 7258 1 15 . 1 1 15 15 VAL H H 15 8.021 8.021 7.676 0.345 25451 7259 1 15 . 1 1 16 16 VAL N N 16 128.604 128.604 126.247 2.357 25451 7260 1 15 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.062 -0.171 25451 7261 1 15 . 1 1 16 16 VAL C C 16 173.922 173.922 174.368 -0.446 25451 7262 1 15 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.467 0.882 25451 7263 1 15 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.522 -0.314 25451 7264 1 15 . 1 1 16 16 VAL H H 16 8.909 8.909 9.035 -0.126 25451 7265 1 15 . 1 1 17 17 VAL N N 17 126.814 126.814 124.706 2.108 25451 7266 1 15 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.074 -0.059 25451 7267 1 15 . 1 1 17 17 VAL C C 17 173.593 173.593 174.228 -0.635 25451 7268 1 15 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.550 -0.669 25451 7269 1 15 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.707 -0.224 25451 7270 1 15 . 1 1 17 17 VAL H H 17 8.359 8.359 8.910 -0.551 25451 7271 1 15 . 1 1 18 18 PHE N N 18 125.697 125.697 125.608 0.089 25451 7272 1 15 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.467 -0.053 25451 7273 1 15 . 1 1 18 18 PHE C C 18 175.364 175.364 174.989 0.375 25451 7274 1 15 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.428 0.701 25451 7275 1 15 . 1 1 18 18 PHE CB C 18 39.336 39.336 42.078 -2.742 25451 7276 1 15 . 1 1 18 18 PHE H H 18 9.015 9.015 9.462 -0.447 25451 7277 1 15 . 1 1 19 19 SER N N 19 120.570 120.570 116.047 4.523 25451 7278 1 15 . 1 1 19 19 SER HA H 19 5.215 5.215 4.847 0.368 25451 7279 1 15 . 1 1 19 19 SER C C 19 173.539 173.539 172.450 1.089 25451 7280 1 15 . 1 1 19 19 SER CA C 19 57.863 57.863 57.517 0.346 25451 7281 1 15 . 1 1 19 19 SER CB C 19 69.512 69.512 66.284 3.228 25451 7282 1 15 . 1 1 19 19 SER H H 19 9.137 9.137 8.956 0.181 25451 7283 1 15 . 1 1 20 20 TRP N N 20 122.520 122.520 121.277 1.243 25451 7284 1 15 . 1 1 20 20 TRP HA H 20 5.945 5.945 4.979 0.966 25451 7285 1 15 . 1 1 20 20 TRP C C 20 178.030 178.030 174.978 3.052 25451 7286 1 15 . 1 1 20 20 TRP CA C 20 54.011 54.011 56.848 -2.837 25451 7287 1 15 . 1 1 20 20 TRP CB C 20 33.190 33.190 32.498 0.692 25451 7288 1 15 . 1 1 20 20 TRP H H 20 8.520 8.520 8.761 -0.241 25451 7289 1 15 . 1 1 21 21 VAL N N 21 124.864 124.864 122.886 1.978 25451 7290 1 15 . 1 1 21 21 VAL C C 21 177.208 177.208 176.515 0.693 25451 7291 1 15 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.201 3.183 25451 7292 1 15 . 1 1 21 21 VAL CB C 21 32.273 32.273 33.058 -0.785 25451 7293 1 15 . 1 1 21 21 VAL H H 21 9.956 9.956 8.013 1.943 25451 7294 1 15 . 1 1 22 22 THR HA H 22 4.542 4.542 4.530 0.012 25451 7295 1 15 . 1 1 22 22 THR C C 22 174.269 174.269 173.241 1.028 25451 7296 1 15 . 1 1 22 22 THR CA C 22 60.982 60.982 61.433 -0.451 25451 7297 1 15 . 1 1 22 22 THR CB C 22 69.237 69.237 69.339 -0.102 25451 7298 1 15 . 1 1 23 23 CYS N N 23 127.689 127.689 129.011 -1.322 25451 7299 1 15 . 1 1 23 23 CYS C C 23 175.054 175.054 173.963 1.091 25451 7300 1 15 . 1 1 23 23 CYS CA C 23 56.396 56.396 55.437 0.959 25451 7301 1 15 . 1 1 23 23 CYS CB C 23 32.273 32.273 30.063 2.210 25451 7302 1 15 . 1 1 23 23 CYS H H 23 7.013 7.013 8.560 -1.547 25451 7303 1 15 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.301 0.000 25451 7304 1 15 . 1 1 24 24 PRO C C 24 180.202 180.202 176.365 3.837 25451 7305 1 15 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.284 0.183 25451 7306 1 15 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.725 0.457 25451 7307 1 15 . 1 1 25 25 TYR N N 25 126.810 126.810 115.770 11.040 25451 7308 1 15 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.528 -0.218 25451 7309 1 15 . 1 1 25 25 TYR C C 25 178.632 178.632 177.441 1.191 25451 7310 1 15 . 1 1 25 25 TYR CA C 25 61.715 61.715 59.007 2.708 25451 7311 1 15 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.360 0.416 25451 7312 1 15 . 1 1 25 25 TYR H H 25 9.569 9.569 7.296 2.273 25451 7313 1 15 . 1 1 26 26 CYS N N 26 127.984 127.984 119.778 8.206 25451 7314 1 15 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.214 -0.195 25451 7315 1 15 . 1 1 26 26 CYS C C 26 176.642 176.642 176.612 0.030 25451 7316 1 15 . 1 1 26 26 CYS CA C 26 64.559 64.559 62.167 2.392 25451 7317 1 15 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.190 2.048 25451 7318 1 15 . 1 1 26 26 CYS H H 26 9.239 9.239 7.835 1.404 25451 7319 1 15 . 1 1 27 27 VAL N N 27 121.054 121.054 120.844 0.210 25451 7320 1 15 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.662 -0.075 25451 7321 1 15 . 1 1 27 27 VAL C C 27 178.614 178.614 177.073 1.541 25451 7322 1 15 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.880 -0.120 25451 7323 1 15 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.949 0.141 25451 7324 1 15 . 1 1 27 27 VAL H H 27 8.402 8.402 7.680 0.722 25451 7325 1 15 . 1 1 28 28 ARG N N 28 119.686 119.686 118.835 0.851 25451 7326 1 15 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.966 -0.005 25451 7327 1 15 . 1 1 28 28 ARG C C 28 178.742 178.742 178.482 0.260 25451 7328 1 15 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.671 -0.065 25451 7329 1 15 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.931 0.691 25451 7330 1 15 . 1 1 28 28 ARG H H 28 7.655 7.655 8.120 -0.465 25451 7331 1 15 . 1 1 29 29 ALA N N 29 122.324 122.324 122.930 -0.606 25451 7332 1 15 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.129 -0.118 25451 7333 1 15 . 1 1 29 29 ALA C C 29 178.906 178.906 179.618 -0.712 25451 7334 1 15 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.138 -0.026 25451 7335 1 15 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.458 0.149 25451 7336 1 15 . 1 1 29 29 ALA H H 29 8.175 8.175 8.476 -0.301 25451 7337 1 15 . 1 1 30 30 GLU N N 30 117.151 117.151 118.566 -1.415 25451 7338 1 15 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.932 -0.395 25451 7339 1 15 . 1 1 30 30 GLU C C 30 178.030 178.030 179.092 -1.062 25451 7340 1 15 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.703 0.912 25451 7341 1 15 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.607 -0.085 25451 7342 1 15 . 1 1 30 30 GLU H H 30 8.689 8.689 8.608 0.081 25451 7343 1 15 . 1 1 31 31 LYS N N 31 119.597 119.597 120.268 -0.671 25451 7344 1 15 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.118 -0.082 25451 7345 1 15 . 1 1 31 31 LYS C C 31 179.746 179.746 179.039 0.707 25451 7346 1 15 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.487 0.302 25451 7347 1 15 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.552 -0.004 25451 7348 1 15 . 1 1 31 31 LYS H H 31 8.359 8.359 8.024 0.335 25451 7349 1 15 . 1 1 32 32 LEU N N 32 121.147 121.147 121.112 0.035 25451 7350 1 15 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.064 -0.012 25451 7351 1 15 . 1 1 32 32 LEU C C 32 179.198 179.198 178.897 0.301 25451 7352 1 15 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.797 0.708 25451 7353 1 15 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.322 0.857 25451 7354 1 15 . 1 1 32 32 LEU H H 32 7.610 7.610 7.727 -0.117 25451 7355 1 15 . 1 1 33 33 LEU N N 33 118.120 118.120 118.593 -0.473 25451 7356 1 15 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.731 0.031 25451 7357 1 15 . 1 1 33 33 LEU C C 33 179.234 179.234 178.966 0.268 25451 7358 1 15 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.412 0.002 25451 7359 1 15 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.311 1.143 25451 7360 1 15 . 1 1 33 33 LEU H H 33 7.904 7.904 8.522 -0.618 25451 7361 1 15 . 1 1 34 34 HIS N N 34 117.939 117.939 116.826 1.113 25451 7362 1 15 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.402 0.231 25451 7363 1 15 . 1 1 34 34 HIS C C 34 176.879 176.879 177.315 -0.436 25451 7364 1 15 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.022 0.400 25451 7365 1 15 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.884 0.188 25451 7366 1 15 . 1 1 34 34 HIS H H 34 8.876 8.876 7.853 1.023 25451 7367 1 15 . 1 1 35 35 ALA N N 35 118.133 118.133 120.580 -2.447 25451 7368 1 15 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.256 0.029 25451 7369 1 15 . 1 1 35 35 ALA C C 35 178.395 178.395 178.764 -0.369 25451 7370 1 15 . 1 1 35 35 ALA CA C 35 53.185 53.185 53.898 -0.713 25451 7371 1 15 . 1 1 35 35 ALA CB C 35 18.515 18.515 19.111 -0.596 25451 7372 1 15 . 1 1 35 35 ALA H H 35 7.229 7.229 7.947 -0.718 25451 7373 1 15 . 1 1 36 36 ARG N N 36 115.692 115.692 116.081 -0.389 25451 7374 1 15 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.706 -0.264 25451 7375 1 15 . 1 1 36 36 ARG C C 36 175.693 175.693 175.085 0.608 25451 7376 1 15 . 1 1 36 36 ARG CA C 36 54.745 54.745 53.780 0.965 25451 7377 1 15 . 1 1 36 36 ARG CB C 36 32.548 32.548 30.172 2.376 25451 7378 1 15 . 1 1 36 36 ARG H H 36 7.647 7.647 7.965 -0.318 25451 7379 1 15 . 1 1 37 37 THR N N 37 114.964 114.964 109.775 5.189 25451 7380 1 15 . 1 1 37 37 THR HA H 37 4.651 4.651 3.891 0.760 25451 7381 1 15 . 1 1 37 37 THR C C 37 170.636 170.636 173.657 -3.021 25451 7382 1 15 . 1 1 37 37 THR CA C 37 60.523 60.523 63.597 -3.074 25451 7383 1 15 . 1 1 37 37 THR CB C 37 68.870 68.870 66.967 1.903 25451 7384 1 15 . 1 1 37 37 THR H H 37 8.087 8.087 7.747 0.340 25451 7385 1 15 . 1 1 38 38 LYS N N 38 121.835 121.835 122.138 -0.303 25451 7386 1 15 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.158 0.509 25451 7387 1 15 . 1 1 38 38 LYS C C 38 178.139 178.139 176.143 1.996 25451 7388 1 15 . 1 1 38 38 LYS CA C 38 55.295 55.295 54.674 0.621 25451 7389 1 15 . 1 1 38 38 LYS CB C 38 32.732 32.732 31.734 0.998 25451 7390 1 15 . 1 1 38 38 LYS H H 38 8.299 8.299 8.088 0.211 25451 7391 1 15 . 1 1 39 39 ASP N N 39 128.517 128.517 126.543 1.974 25451 7392 1 15 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.474 0.409 25451 7393 1 15 . 1 1 39 39 ASP C C 39 172.754 172.754 174.783 -2.029 25451 7394 1 15 . 1 1 39 39 ASP CA C 39 54.103 54.103 55.369 -1.266 25451 7395 1 15 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.478 0.509 25451 7396 1 15 . 1 1 39 39 ASP H H 39 8.823 8.823 8.468 0.355 25451 7397 1 15 . 1 1 40 40 ILE N N 40 116.959 116.959 123.019 -6.060 25451 7398 1 15 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.689 0.584 25451 7399 1 15 . 1 1 40 40 ILE C C 40 174.470 174.470 174.586 -0.116 25451 7400 1 15 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.171 -2.133 25451 7401 1 15 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.846 -0.126 25451 7402 1 15 . 1 1 40 40 ILE H H 40 7.273 7.273 7.678 -0.405 25451 7403 1 15 . 1 1 41 41 THR N N 41 125.545 125.545 124.322 1.223 25451 7404 1 15 . 1 1 41 41 THR HA H 41 4.260 4.260 4.753 -0.493 25451 7405 1 15 . 1 1 41 41 THR C C 41 171.476 171.476 172.393 -0.917 25451 7406 1 15 . 1 1 41 41 THR CA C 41 61.807 61.807 61.462 0.345 25451 7407 1 15 . 1 1 41 41 THR CB C 41 72.172 72.172 71.004 1.168 25451 7408 1 15 . 1 1 41 41 THR H H 41 8.564 8.564 8.591 -0.027 25451 7409 1 15 . 1 1 42 42 VAL N N 42 126.913 126.913 126.778 0.135 25451 7410 1 15 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.912 -0.669 25451 7411 1 15 . 1 1 42 42 VAL C C 42 174.086 174.086 174.497 -0.411 25451 7412 1 15 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.477 0.771 25451 7413 1 15 . 1 1 42 42 VAL CB C 42 32.824 32.824 33.757 -0.933 25451 7414 1 15 . 1 1 42 42 VAL H H 42 8.271 8.271 8.537 -0.266 25451 7415 1 15 . 1 1 43 43 HIS N N 43 127.392 127.392 128.495 -1.103 25451 7416 1 15 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.970 -0.403 25451 7417 1 15 . 1 1 43 43 HIS C C 43 174.543 174.543 173.271 1.272 25451 7418 1 15 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.158 -0.055 25451 7419 1 15 . 1 1 43 43 HIS CB C 43 31.815 31.815 32.198 -0.383 25451 7420 1 15 . 1 1 43 43 HIS H H 43 8.829 8.829 8.926 -0.097 25451 7421 1 15 . 1 1 44 44 TYR N N 44 126.221 126.221 127.894 -1.673 25451 7422 1 15 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.782 0.424 25451 7423 1 15 . 1 1 44 44 TYR C C 44 177.865 177.865 176.424 1.441 25451 7424 1 15 . 1 1 44 44 TYR CA C 44 57.313 57.313 57.775 -0.462 25451 7425 1 15 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.861 -2.011 25451 7426 1 15 . 1 1 44 44 TYR H H 44 8.938 8.938 9.184 -0.246 25451 7427 1 15 . 1 1 45 45 VAL N N 45 120.086 120.086 121.225 -1.139 25451 7428 1 15 . 1 1 45 45 VAL HA H 45 4.351 4.351 3.870 0.481 25451 7429 1 15 . 1 1 45 45 VAL C C 45 176.952 176.952 176.700 0.252 25451 7430 1 15 . 1 1 45 45 VAL CA C 45 63.917 63.917 63.642 0.275 25451 7431 1 15 . 1 1 45 45 VAL CB C 45 31.264 31.264 30.993 0.271 25451 7432 1 15 . 1 1 45 45 VAL H H 45 9.037 9.037 8.357 0.680 25451 7433 1 15 . 1 1 46 46 ASP N N 46 118.427 118.427 121.241 -2.814 25451 7434 1 15 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.451 -0.042 25451 7435 1 15 . 1 1 46 46 ASP C C 46 176.989 176.989 177.359 -0.370 25451 7436 1 15 . 1 1 46 46 ASP CA C 46 54.745 54.745 56.656 -1.911 25451 7437 1 15 . 1 1 46 46 ASP CB C 46 36.859 36.859 41.465 -4.606 25451 7438 1 15 . 1 1 46 46 ASP H H 46 10.711 10.711 8.231 2.480 25451 7439 1 15 . 1 1 47 47 LYS N N 47 119.396 119.396 118.457 0.939 25451 7440 1 15 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.177 0.365 25451 7441 1 15 . 1 1 47 47 LYS C C 47 176.350 176.350 177.414 -1.064 25451 7442 1 15 . 1 1 47 47 LYS CA C 47 55.020 55.020 57.021 -2.001 25451 7443 1 15 . 1 1 47 47 LYS CB C 47 32.640 32.640 32.630 0.010 25451 7444 1 15 . 1 1 47 47 LYS H H 47 7.801 7.801 7.770 0.031 25451 7445 1 15 . 1 1 48 48 MET N N 48 118.957 118.957 121.432 -2.475 25451 7446 1 15 . 1 1 48 48 MET C C 48 177.500 177.500 176.951 0.549 25451 7447 1 15 . 1 1 48 48 MET CA C 48 54.928 54.928 54.737 0.191 25451 7448 1 15 . 1 1 48 48 MET CB C 48 36.492 36.492 32.969 3.523 25451 7449 1 15 . 1 1 48 48 MET H H 48 7.331 7.331 8.034 -0.703 25451 7450 1 15 . 1 1 49 49 SER HA H 49 4.260 4.260 4.265 -0.005 25451 7451 1 15 . 1 1 49 49 SER C C 49 176.898 176.898 176.659 0.239 25451 7452 1 15 . 1 1 49 49 SER CA C 49 61.899 61.899 61.198 0.701 25451 7453 1 15 . 1 1 50 50 GLU N N 50 121.350 121.350 122.854 -1.504 25451 7454 1 15 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.233 0.517 25451 7455 1 15 . 1 1 50 50 GLU C C 50 176.971 176.971 178.548 -1.577 25451 7456 1 15 . 1 1 50 50 GLU CA C 50 56.487 56.487 57.284 -0.797 25451 7457 1 15 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.200 -0.962 25451 7458 1 15 . 1 1 50 50 GLU H H 50 10.024 10.024 8.613 1.411 25451 7459 1 15 . 1 1 51 51 GLY N N 51 109.546 109.546 107.792 1.754 25451 7460 1 15 . 1 1 51 51 GLY C C 51 175.602 175.602 175.885 -0.283 25451 7461 1 15 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.038 1.837 25451 7462 1 15 . 1 1 51 51 GLY H H 51 8.124 8.124 8.082 0.042 25451 7463 1 15 . 1 1 52 52 GLU N N 52 120.614 120.614 120.901 -0.287 25451 7464 1 15 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.025 0.177 25451 7465 1 15 . 1 1 52 52 GLU C C 52 180.056 180.056 179.212 0.844 25451 7466 1 15 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.260 0.162 25451 7467 1 15 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.497 -0.526 25451 7468 1 15 . 1 1 52 52 GLU H H 52 8.821 8.821 7.880 0.941 25451 7469 1 15 . 1 1 53 53 GLN N N 53 123.591 123.591 119.701 3.890 25451 7470 1 15 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.130 0.014 25451 7471 1 15 . 1 1 53 53 GLN C C 53 179.600 179.600 178.727 0.873 25451 7472 1 15 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.610 0.446 25451 7473 1 15 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.824 -1.137 25451 7474 1 15 . 1 1 53 53 GLN H H 53 8.117 8.117 8.106 0.011 25451 7475 1 15 . 1 1 54 54 LEU N N 54 120.960 120.960 120.242 0.718 25451 7476 1 15 . 1 1 54 54 LEU HA H 54 4.011 4.011 4.101 -0.090 25451 7477 1 15 . 1 1 54 54 LEU C C 54 179.417 179.417 179.245 0.172 25451 7478 1 15 . 1 1 54 54 LEU CA C 54 57.863 57.863 56.791 1.072 25451 7479 1 15 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.710 -0.274 25451 7480 1 15 . 1 1 54 54 LEU H H 54 8.249 8.249 7.640 0.609 25451 7481 1 15 . 1 1 55 55 ARG N N 55 118.038 118.038 118.765 -0.727 25451 7482 1 15 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.880 -0.085 25451 7483 1 15 . 1 1 55 55 ARG C C 55 180.439 180.439 178.611 1.828 25451 7484 1 15 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.599 1.016 25451 7485 1 15 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.702 -0.180 25451 7486 1 15 . 1 1 55 55 ARG H H 55 8.402 8.402 8.473 -0.071 25451 7487 1 15 . 1 1 56 56 GLY N N 56 110.675 110.675 107.298 3.377 25451 7488 1 15 . 1 1 56 56 GLY C C 56 176.350 176.350 176.077 0.273 25451 7489 1 15 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.023 0.201 25451 7490 1 15 . 1 1 56 56 GLY H H 56 8.376 8.376 7.822 0.554 25451 7491 1 15 . 1 1 57 57 GLU N N 57 124.469 124.469 121.425 3.044 25451 7492 1 15 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.041 0.036 25451 7493 1 15 . 1 1 57 57 GLU C C 57 180.184 180.184 179.182 1.002 25451 7494 1 15 . 1 1 57 57 GLU CA C 57 59.606 59.606 59.176 0.430 25451 7495 1 15 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.262 0.717 25451 7496 1 15 . 1 1 57 57 GLU H H 57 8.146 8.146 7.731 0.415 25451 7497 1 15 . 1 1 58 58 ILE N N 58 121.352 121.352 120.180 1.172 25451 7498 1 15 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.870 -0.183 25451 7499 1 15 . 1 1 58 58 ILE C C 58 178.030 178.030 177.936 0.094 25451 7500 1 15 . 1 1 58 58 ILE CA C 58 65.568 65.568 64.882 0.686 25451 7501 1 15 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.757 0.570 25451 7502 1 15 . 1 1 58 58 ILE H H 58 8.201 8.201 7.166 1.035 25451 7503 1 15 . 1 1 59 59 TYR N N 59 121.934 121.934 120.798 1.136 25451 7504 1 15 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.273 -0.138 25451 7505 1 15 . 1 1 59 59 TYR C C 59 178.322 178.322 178.449 -0.127 25451 7506 1 15 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.948 0.043 25451 7507 1 15 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.785 -0.825 25451 7508 1 15 . 1 1 59 59 TYR H H 59 8.256 8.256 8.389 -0.133 25451 7509 1 15 . 1 1 60 60 GLN N N 60 119.694 119.694 117.599 2.095 25451 7510 1 15 . 1 1 60 60 GLN HA H 60 3.679 3.679 3.928 -0.249 25451 7511 1 15 . 1 1 60 60 GLN C C 60 177.336 177.336 177.073 0.263 25451 7512 1 15 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.661 0.119 25451 7513 1 15 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.495 0.018 25451 7514 1 15 . 1 1 60 60 GLN H H 60 8.512 8.512 8.405 0.107 25451 7515 1 15 . 1 1 61 61 ALA N N 61 117.444 117.444 119.156 -1.712 25451 7516 1 15 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.990 -0.021 25451 7517 1 15 . 1 1 61 61 ALA C C 61 179.180 179.180 178.478 0.702 25451 7518 1 15 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.456 0.280 25451 7519 1 15 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.861 0.296 25451 7520 1 15 . 1 1 61 61 ALA H H 61 7.749 7.749 7.266 0.483 25451 7521 1 15 . 1 1 62 62 TYR N N 62 113.265 113.265 113.010 0.255 25451 7522 1 15 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.615 -0.090 25451 7523 1 15 . 1 1 62 62 TYR C C 62 175.036 175.036 175.098 -0.062 25451 7524 1 15 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.277 1.036 25451 7525 1 15 . 1 1 62 62 TYR CB C 62 38.969 38.969 38.809 0.160 25451 7526 1 15 . 1 1 62 62 TYR H H 62 7.801 7.801 7.712 0.089 25451 7527 1 15 . 1 1 63 63 LYS N N 63 117.584 117.584 114.914 2.670 25451 7528 1 15 . 1 1 63 63 LYS HA H 63 3.504 3.504 3.231 0.273 25451 7529 1 15 . 1 1 63 63 LYS C C 63 173.812 173.812 174.839 -1.027 25451 7530 1 15 . 1 1 63 63 LYS CA C 63 56.671 56.671 57.077 -0.406 25451 7531 1 15 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.180 -0.667 25451 7532 1 15 . 1 1 63 63 LYS H H 63 8.098 8.098 7.891 0.207 25451 7533 1 15 . 1 1 64 64 HIS N N 64 118.618 118.618 116.167 2.451 25451 7534 1 15 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.571 0.386 25451 7535 1 15 . 1 1 64 64 HIS C C 64 175.985 175.985 174.172 1.813 25451 7536 1 15 . 1 1 64 64 HIS CA C 64 55.754 55.754 54.926 0.828 25451 7537 1 15 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.368 1.565 25451 7538 1 15 . 1 1 64 64 HIS H H 64 6.524 6.524 7.126 -0.602 25451 7539 1 15 . 1 1 65 65 GLU N N 65 126.723 126.723 118.914 7.809 25451 7540 1 15 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.461 -0.068 25451 7541 1 15 . 1 1 65 65 GLU C C 65 175.346 175.346 176.357 -1.011 25451 7542 1 15 . 1 1 65 65 GLU CA C 65 56.946 56.946 56.597 0.349 25451 7543 1 15 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.121 1.152 25451 7544 1 15 . 1 1 65 65 GLU H H 65 9.188 9.188 8.741 0.447 25451 7545 1 15 . 1 1 66 66 THR N N 66 108.043 108.043 112.801 -4.758 25451 7546 1 15 . 1 1 66 66 THR HA H 66 4.393 4.393 4.638 -0.245 25451 7547 1 15 . 1 1 66 66 THR C C 66 174.579 174.579 173.232 1.347 25451 7548 1 15 . 1 1 66 66 THR CA C 66 59.698 59.698 60.704 -1.006 25451 7549 1 15 . 1 1 66 66 THR CB C 66 71.071 71.071 70.747 0.324 25451 7550 1 15 . 1 1 66 66 THR H H 66 6.296 6.296 7.546 -1.250 25451 7551 1 15 . 1 1 67 67 VAL N N 67 112.473 112.473 117.502 -5.029 25451 7552 1 15 . 1 1 67 67 VAL C C 67 173.027 173.027 174.130 -1.103 25451 7553 1 15 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.215 -4.168 25451 7554 1 15 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.520 0.662 25451 7555 1 15 . 1 1 67 67 VAL H H 67 7.688 7.688 8.561 -0.873 25451 7556 1 15 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.408 1.022 25451 7557 1 15 . 1 1 68 68 PRO C C 68 176.405 176.405 175.665 0.740 25451 7558 1 15 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.698 -0.891 25451 7559 1 15 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.455 2.386 25451 7560 1 15 . 1 1 69 69 ALA N N 69 124.309 124.309 121.028 3.281 25451 7561 1 15 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.646 0.162 25451 7562 1 15 . 1 1 69 69 ALA C C 69 175.273 175.273 176.357 -1.084 25451 7563 1 15 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.270 0.081 25451 7564 1 15 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.648 1.077 25451 7565 1 15 . 1 1 69 69 ALA H H 69 8.952 8.952 8.220 0.732 25451 7566 1 15 . 1 1 70 70 ILE N N 70 124.569 124.569 122.366 2.203 25451 7567 1 15 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.822 -0.272 25451 7568 1 15 . 1 1 70 70 ILE C C 70 172.553 172.553 174.058 -1.505 25451 7569 1 15 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.368 1.714 25451 7570 1 15 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.459 -1.390 25451 7571 1 15 . 1 1 70 70 ILE H H 70 8.447 8.447 7.967 0.480 25451 7572 1 15 . 1 1 71 71 PHE N N 71 127.490 127.490 123.552 3.938 25451 7573 1 15 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.589 -0.366 25451 7574 1 15 . 1 1 71 71 PHE C C 71 174.798 174.798 174.741 0.057 25451 7575 1 15 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.204 -0.083 25451 7576 1 15 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.861 -1.774 25451 7577 1 15 . 1 1 71 71 PHE H H 71 9.219 9.219 9.275 -0.056 25451 7578 1 15 . 1 1 72 72 ILE N N 72 118.614 118.614 121.064 -2.450 25451 7579 1 15 . 1 1 72 72 ILE HA H 72 5.107 5.107 4.879 0.228 25451 7580 1 15 . 1 1 72 72 ILE C C 72 177.518 177.518 176.120 1.398 25451 7581 1 15 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.527 -0.004 25451 7582 1 15 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.481 0.506 25451 7583 1 15 . 1 1 72 72 ILE H H 72 8.715 8.715 9.197 -0.482 25451 7584 1 15 . 1 1 73 73 ASN N N 73 129.431 129.431 127.116 2.315 25451 7585 1 15 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.312 0.355 25451 7586 1 15 . 1 1 73 73 ASN C C 73 175.273 175.273 175.653 -0.380 25451 7587 1 15 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.264 0.297 25451 7588 1 15 . 1 1 73 73 ASN CB C 73 37.318 37.318 37.062 0.256 25451 7589 1 15 . 1 1 73 73 ASN H H 73 10.691 10.691 9.309 1.382 25451 7590 1 15 . 1 1 74 74 GLY N N 74 104.235 104.235 102.866 1.369 25451 7591 1 15 . 1 1 74 74 GLY C C 74 172.754 172.754 174.381 -1.627 25451 7592 1 15 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.427 -0.405 25451 7593 1 15 . 1 1 74 74 GLY H H 74 9.529 9.529 8.696 0.833 25451 7594 1 15 . 1 1 75 75 ASN N N 75 119.009 119.009 119.984 -0.975 25451 7595 1 15 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.026 0.072 25451 7596 1 15 . 1 1 75 75 ASN C C 75 174.269 174.269 174.286 -0.017 25451 7597 1 15 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.832 -1.206 25451 7598 1 15 . 1 1 75 75 ASN CB C 75 39.978 39.978 39.806 0.172 25451 7599 1 15 . 1 1 75 75 ASN H H 75 8.116 8.116 8.040 0.076 25451 7600 1 15 . 1 1 76 76 PHE N N 76 124.901 124.901 123.983 0.918 25451 7601 1 15 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.519 -0.865 25451 7602 1 15 . 1 1 76 76 PHE C C 76 175.273 175.273 174.490 0.783 25451 7603 1 15 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.864 0.999 25451 7604 1 15 . 1 1 76 76 PHE CB C 76 38.877 38.877 40.180 -1.303 25451 7605 1 15 . 1 1 76 76 PHE H H 76 9.004 9.004 8.557 0.447 25451 7606 1 15 . 1 1 77 77 ILE N N 77 126.459 126.459 125.873 0.586 25451 7607 1 15 . 1 1 77 77 ILE C C 77 174.506 174.506 172.873 1.633 25451 7608 1 15 . 1 1 77 77 ILE CA C 77 58.505 58.505 58.642 -0.137 25451 7609 1 15 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.851 -4.441 25451 7610 1 15 . 1 1 77 77 ILE H H 77 8.161 8.161 8.080 0.081 25451 7611 1 15 . 1 1 78 78 GLY C C 78 172.005 172.005 173.404 -1.399 25451 7612 1 15 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.585 -0.030 25451 7613 1 15 . 1 1 79 79 GLY N N 79 109.745 109.745 112.656 -2.911 25451 7614 1 15 . 1 1 79 79 GLY C C 79 174.981 174.981 173.951 1.030 25451 7615 1 15 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.645 -1.182 25451 7616 1 15 . 1 1 79 79 GLY H H 79 9.114 9.114 7.804 1.310 25451 7617 1 15 . 1 1 80 80 CYS N N 80 120.764 120.764 122.662 -1.898 25451 7618 1 15 . 1 1 80 80 CYS C C 80 176.533 176.533 175.756 0.777 25451 7619 1 15 . 1 1 80 80 CYS CA C 80 63.825 63.825 61.439 2.386 25451 7620 1 15 . 1 1 80 80 CYS CB C 80 26.770 26.770 26.941 -0.171 25451 7621 1 15 . 1 1 80 80 CYS H H 80 8.571 8.571 8.982 -0.411 25451 7622 1 15 . 1 1 81 81 SER HA H 81 3.903 3.903 4.073 -0.170 25451 7623 1 15 . 1 1 81 81 SER C C 81 177.318 177.318 175.419 1.899 25451 7624 1 15 . 1 1 81 81 SER CA C 81 61.440 61.440 61.417 0.023 25451 7625 1 15 . 1 1 82 82 ASP N N 82 122.226 122.226 121.765 0.461 25451 7626 1 15 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.393 -0.042 25451 7627 1 15 . 1 1 82 82 ASP C C 82 177.993 177.993 177.978 0.015 25451 7628 1 15 . 1 1 82 82 ASP CA C 82 57.129 57.129 56.868 0.261 25451 7629 1 15 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.549 0.988 25451 7630 1 15 . 1 1 82 82 ASP H H 82 7.060 7.060 7.955 -0.895 25451 7631 1 15 . 1 1 83 83 LEU N N 83 121.542 121.542 120.682 0.860 25451 7632 1 15 . 1 1 83 83 LEU HA H 83 3.787 3.787 3.980 -0.193 25451 7633 1 15 . 1 1 83 83 LEU C C 83 177.957 177.957 178.264 -0.307 25451 7634 1 15 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.894 -0.031 25451 7635 1 15 . 1 1 83 83 LEU CB C 83 42.087 42.087 41.981 0.106 25451 7636 1 15 . 1 1 83 83 LEU H H 83 7.793 7.793 7.840 -0.047 25451 7637 1 15 . 1 1 84 84 GLU N N 84 117.702 117.702 118.426 -0.724 25451 7638 1 15 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.913 -0.093 25451 7639 1 15 . 1 1 84 84 GLU C C 84 179.161 179.161 178.737 0.424 25451 7640 1 15 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.134 0.564 25451 7641 1 15 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.296 0.226 25451 7642 1 15 . 1 1 84 84 GLU H H 84 8.432 8.432 8.625 -0.193 25451 7643 1 15 . 1 1 85 85 ALA N N 85 122.903 122.903 122.476 0.427 25451 7644 1 15 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.050 0.127 25451 7645 1 15 . 1 1 85 85 ALA C C 85 179.892 179.892 179.374 0.518 25451 7646 1 15 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.129 0.166 25451 7647 1 15 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.055 -0.274 25451 7648 1 15 . 1 1 85 85 ALA H H 85 7.890 7.890 7.958 -0.068 25451 7649 1 15 . 1 1 86 86 LEU N N 86 118.087 118.087 118.176 -0.089 25451 7650 1 15 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.933 0.086 25451 7651 1 15 . 1 1 86 86 LEU C C 86 179.764 179.764 179.209 0.555 25451 7652 1 15 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.332 0.348 25451 7653 1 15 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.316 1.505 25451 7654 1 15 . 1 1 86 86 LEU H H 86 7.567 7.567 7.527 0.040 25451 7655 1 15 . 1 1 87 87 ASP N N 87 119.239 119.239 120.011 -0.772 25451 7656 1 15 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.421 0.080 25451 7657 1 15 . 1 1 87 87 ASP C C 87 179.563 179.563 178.346 1.217 25451 7658 1 15 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.024 -0.170 25451 7659 1 15 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.779 1.218 25451 7660 1 15 . 1 1 87 87 ASP H H 87 7.985 7.985 7.685 0.300 25451 7661 1 15 . 1 1 88 88 LYS N N 88 121.741 121.741 119.094 2.647 25451 7662 1 15 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.132 -0.096 25451 7663 1 15 . 1 1 88 88 LYS C C 88 178.778 178.778 178.889 -0.111 25451 7664 1 15 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.187 0.960 25451 7665 1 15 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.478 -0.296 25451 7666 1 15 . 1 1 88 88 LYS H H 88 8.461 8.461 8.115 0.346 25451 7667 1 15 . 1 1 89 89 GLU N N 89 115.496 115.496 116.058 -0.562 25451 7668 1 15 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.301 0.009 25451 7669 1 15 . 1 1 89 89 GLU C C 89 176.806 176.806 177.124 -0.318 25451 7670 1 15 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.574 -0.362 25451 7671 1 15 . 1 1 89 89 GLU CB C 89 30.347 30.347 30.030 0.317 25451 7672 1 15 . 1 1 89 89 GLU H H 89 7.838 7.838 8.211 -0.373 25451 7673 1 15 . 1 1 90 90 GLY N N 90 108.622 108.622 107.998 0.624 25451 7674 1 15 . 1 1 90 90 GLY C C 90 175.985 175.985 175.178 0.807 25451 7675 1 15 . 1 1 90 90 GLY CA C 90 46.215 46.215 45.902 0.313 25451 7676 1 15 . 1 1 90 90 GLY H H 90 7.992 7.992 7.631 0.361 25451 7677 1 15 . 1 1 91 91 LYS N N 91 117.355 117.355 120.352 -2.997 25451 7678 1 15 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.347 -0.021 25451 7679 1 15 . 1 1 91 91 LYS C C 91 177.518 177.518 177.524 -0.006 25451 7680 1 15 . 1 1 91 91 LYS CA C 91 56.487 56.487 57.182 -0.695 25451 7681 1 15 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.606 2.511 25451 7682 1 15 . 1 1 91 91 LYS H H 91 8.047 8.047 7.897 0.150 25451 7683 1 15 . 1 1 92 92 LEU N N 92 121.641 121.641 120.950 0.691 25451 7684 1 15 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.087 -0.134 25451 7685 1 15 . 1 1 92 92 LEU C C 92 177.518 177.518 177.675 -0.157 25451 7686 1 15 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.546 -0.050 25451 7687 1 15 . 1 1 92 92 LEU CB C 92 41.170 41.170 41.974 -0.804 25451 7688 1 15 . 1 1 92 92 LEU H H 92 7.582 7.582 7.975 -0.393 25451 7689 1 15 . 1 1 93 93 ASP N N 93 118.032 118.032 120.389 -2.357 25451 7690 1 15 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.410 -0.192 25451 7691 1 15 . 1 1 93 93 ASP C C 93 179.344 179.344 178.677 0.667 25451 7692 1 15 . 1 1 93 93 ASP CA C 93 57.955 57.955 57.300 0.655 25451 7693 1 15 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.216 -0.330 25451 7694 1 15 . 1 1 93 93 ASP H H 93 8.194 8.194 8.444 -0.250 25451 7695 1 15 . 1 1 94 94 GLY N N 94 107.012 107.012 108.550 -1.538 25451 7696 1 15 . 1 1 94 94 GLY C C 94 176.368 176.368 176.327 0.041 25451 7697 1 15 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.624 -0.226 25451 7698 1 15 . 1 1 94 94 GLY H H 94 8.271 8.271 7.884 0.387 25451 7699 1 15 . 1 1 95 95 LEU N N 95 120.472 120.472 121.627 -1.155 25451 7700 1 15 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.154 0.098 25451 7701 1 15 . 1 1 95 95 LEU C C 95 178.285 178.285 177.357 0.928 25451 7702 1 15 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.068 0.419 25451 7703 1 15 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.166 0.563 25451 7704 1 15 . 1 1 95 95 LEU H H 95 7.475 7.475 7.841 -0.366 25451 7705 1 15 . 1 1 96 96 LEU N N 96 116.181 116.181 117.610 -1.429 25451 7706 1 15 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.214 0.046 25451 7707 1 15 . 1 1 96 96 LEU C C 96 176.186 176.186 177.269 -1.083 25451 7708 1 15 . 1 1 96 96 LEU CA C 96 54.561 54.561 55.320 -0.759 25451 7709 1 15 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.788 0.482 25451 7710 1 15 . 1 1 96 96 LEU H H 96 7.394 7.394 7.315 0.079 25451 7711 1 16 . 1 1 5 5 SER HA H 5 4.492 4.492 4.611 -0.119 25451 7712 1 16 . 1 1 5 5 SER C C 5 176.496 176.496 174.849 1.647 25451 7713 1 16 . 1 1 5 5 SER CA C 5 59.422 59.422 56.042 3.380 25451 7714 1 16 . 1 1 5 5 SER CB C 5 64.100 64.100 64.548 -0.448 25451 7715 1 16 . 1 1 6 6 ILE N N 6 120.626 120.626 119.836 0.790 25451 7716 1 16 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.855 -0.044 25451 7717 1 16 . 1 1 6 6 ILE C C 6 176.952 176.952 176.988 -0.036 25451 7718 1 16 . 1 1 6 6 ILE CA C 6 64.100 64.100 64.441 -0.341 25451 7719 1 16 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.526 -0.116 25451 7720 1 16 . 1 1 6 6 ILE H H 6 9.168 9.168 8.761 0.407 25451 7721 1 16 . 1 1 7 7 ALA N N 7 122.320 122.320 122.985 -0.665 25451 7722 1 16 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.846 0.048 25451 7723 1 16 . 1 1 7 7 ALA C C 7 179.837 179.837 179.149 0.688 25451 7724 1 16 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.873 0.330 25451 7725 1 16 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.863 0.285 25451 7726 1 16 . 1 1 7 7 ALA H H 7 7.882 7.882 8.365 -0.483 25451 7727 1 16 . 1 1 8 8 SER N N 8 110.329 110.329 113.919 -3.590 25451 7728 1 16 . 1 1 8 8 SER HA H 8 4.227 4.227 4.251 -0.024 25451 7729 1 16 . 1 1 8 8 SER C C 8 177.409 177.409 176.894 0.515 25451 7730 1 16 . 1 1 8 8 SER CA C 8 60.156 60.156 61.066 -0.910 25451 7731 1 16 . 1 1 8 8 SER CB C 8 62.908 62.908 63.334 -0.425 25451 7732 1 16 . 1 1 8 8 SER H H 8 7.647 7.647 7.704 -0.057 25451 7733 1 16 . 1 1 9 9 MET N N 9 122.133 122.133 121.905 0.228 25451 7734 1 16 . 1 1 9 9 MET HA H 9 4.127 4.127 4.157 -0.030 25451 7735 1 16 . 1 1 9 9 MET C C 9 180.841 180.841 178.446 2.395 25451 7736 1 16 . 1 1 9 9 MET CA C 9 59.147 59.147 58.952 0.195 25451 7737 1 16 . 1 1 9 9 MET CB C 9 35.025 35.025 32.404 2.620 25451 7738 1 16 . 1 1 9 9 MET H H 9 7.787 7.787 7.417 0.370 25451 7739 1 16 . 1 1 10 10 ILE N N 10 115.009 115.009 118.451 -3.442 25451 7740 1 16 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.771 -0.009 25451 7741 1 16 . 1 1 10 10 ILE C C 10 174.981 174.981 177.216 -2.235 25451 7742 1 16 . 1 1 10 10 ILE CA C 10 65.293 65.293 62.813 2.480 25451 7743 1 16 . 1 1 10 10 ILE CB C 10 37.776 37.776 35.752 2.024 25451 7744 1 16 . 1 1 10 10 ILE H H 10 8.315 8.315 8.120 0.195 25451 7745 1 16 . 1 1 11 11 LYS N N 11 117.153 117.153 117.776 -0.623 25451 7746 1 16 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.298 0.211 25451 7747 1 16 . 1 1 11 11 LYS C C 11 177.774 177.774 178.146 -0.372 25451 7748 1 16 . 1 1 11 11 LYS CA C 11 55.479 55.479 56.959 -1.480 25451 7749 1 16 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.314 -0.041 25451 7750 1 16 . 1 1 11 11 LYS H H 11 6.877 6.877 7.638 -0.761 25451 7751 1 16 . 1 1 12 12 GLY N N 12 106.134 106.134 108.530 -2.396 25451 7752 1 16 . 1 1 12 12 GLY C C 12 172.553 172.553 174.750 -2.197 25451 7753 1 16 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.736 0.570 25451 7754 1 16 . 1 1 12 12 GLY H H 12 7.757 7.757 8.131 -0.374 25451 7755 1 16 . 1 1 13 13 ASN N N 13 115.402 115.402 116.920 -1.518 25451 7756 1 16 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.978 -0.386 25451 7757 1 16 . 1 1 13 13 ASN C C 13 174.068 174.068 174.761 -0.693 25451 7758 1 16 . 1 1 13 13 ASN CA C 13 50.159 50.159 51.888 -1.729 25451 7759 1 16 . 1 1 13 13 ASN CB C 13 40.895 40.895 40.993 -0.098 25451 7760 1 16 . 1 1 13 13 ASN H H 13 7.214 7.214 7.681 -0.467 25451 7761 1 16 . 1 1 14 14 LYS N N 14 122.033 122.033 121.986 0.047 25451 7762 1 16 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.060 0.009 25451 7763 1 16 . 1 1 14 14 LYS C C 14 176.533 176.533 176.169 0.364 25451 7764 1 16 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.627 1.346 25451 7765 1 16 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.242 -1.702 25451 7766 1 16 . 1 1 14 14 LYS H H 14 8.351 8.351 8.512 -0.161 25451 7767 1 16 . 1 1 15 15 VAL N N 15 117.450 117.450 117.301 0.149 25451 7768 1 16 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.095 -0.071 25451 7769 1 16 . 1 1 15 15 VAL C C 15 174.543 174.543 174.759 -0.216 25451 7770 1 16 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.690 -0.350 25451 7771 1 16 . 1 1 15 15 VAL CB C 15 32.732 32.732 33.873 -1.141 25451 7772 1 16 . 1 1 15 15 VAL H H 15 8.021 8.021 7.896 0.125 25451 7773 1 16 . 1 1 16 16 VAL N N 16 128.604 128.604 127.493 1.111 25451 7774 1 16 . 1 1 16 16 VAL HA H 16 4.891 4.891 4.943 -0.052 25451 7775 1 16 . 1 1 16 16 VAL C C 16 173.922 173.922 174.645 -0.723 25451 7776 1 16 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.668 0.681 25451 7777 1 16 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.011 0.197 25451 7778 1 16 . 1 1 16 16 VAL H H 16 8.909 8.909 9.059 -0.150 25451 7779 1 16 . 1 1 17 17 VAL N N 17 126.814 126.814 125.310 1.504 25451 7780 1 16 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.088 -0.073 25451 7781 1 16 . 1 1 17 17 VAL C C 17 173.593 173.593 174.690 -1.097 25451 7782 1 16 . 1 1 17 17 VAL CA C 17 59.881 59.881 59.927 -0.046 25451 7783 1 16 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.692 -0.209 25451 7784 1 16 . 1 1 17 17 VAL H H 17 8.359 8.359 8.939 -0.580 25451 7785 1 16 . 1 1 18 18 PHE N N 18 125.697 125.697 125.066 0.631 25451 7786 1 16 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.437 -0.023 25451 7787 1 16 . 1 1 18 18 PHE C C 18 175.364 175.364 175.071 0.293 25451 7788 1 16 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.701 0.428 25451 7789 1 16 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.805 -2.469 25451 7790 1 16 . 1 1 18 18 PHE H H 18 9.015 9.015 9.104 -0.089 25451 7791 1 16 . 1 1 19 19 SER N N 19 120.570 120.570 116.064 4.506 25451 7792 1 16 . 1 1 19 19 SER HA H 19 5.215 5.215 4.833 0.382 25451 7793 1 16 . 1 1 19 19 SER C C 19 173.539 173.539 172.481 1.058 25451 7794 1 16 . 1 1 19 19 SER CA C 19 57.863 57.863 57.475 0.388 25451 7795 1 16 . 1 1 19 19 SER CB C 19 69.512 69.512 66.510 3.002 25451 7796 1 16 . 1 1 19 19 SER H H 19 9.137 9.137 9.362 -0.225 25451 7797 1 16 . 1 1 20 20 TRP N N 20 122.520 122.520 121.368 1.152 25451 7798 1 16 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.062 0.883 25451 7799 1 16 . 1 1 20 20 TRP C C 20 178.030 178.030 175.091 2.939 25451 7800 1 16 . 1 1 20 20 TRP CA C 20 54.011 54.011 55.603 -1.592 25451 7801 1 16 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.416 1.774 25451 7802 1 16 . 1 1 20 20 TRP H H 20 8.520 8.520 8.620 -0.100 25451 7803 1 16 . 1 1 21 21 VAL N N 21 124.864 124.864 118.229 6.635 25451 7804 1 16 . 1 1 21 21 VAL C C 21 177.208 177.208 175.704 1.504 25451 7805 1 16 . 1 1 21 21 VAL CA C 21 65.384 65.384 61.376 4.008 25451 7806 1 16 . 1 1 21 21 VAL CB C 21 32.273 32.273 32.350 -0.077 25451 7807 1 16 . 1 1 21 21 VAL H H 21 9.956 9.956 7.768 2.188 25451 7808 1 16 . 1 1 22 22 THR HA H 22 4.542 4.542 4.546 -0.004 25451 7809 1 16 . 1 1 22 22 THR C C 22 174.269 174.269 173.695 0.574 25451 7810 1 16 . 1 1 22 22 THR CA C 22 60.982 60.982 60.949 0.033 25451 7811 1 16 . 1 1 22 22 THR CB C 22 69.237 69.237 69.450 -0.213 25451 7812 1 16 . 1 1 23 23 CYS N N 23 127.689 127.689 126.571 1.118 25451 7813 1 16 . 1 1 23 23 CYS C C 23 175.054 175.054 173.394 1.660 25451 7814 1 16 . 1 1 23 23 CYS CA C 23 56.396 56.396 56.066 0.330 25451 7815 1 16 . 1 1 23 23 CYS CB C 23 32.273 32.273 30.127 2.146 25451 7816 1 16 . 1 1 23 23 CYS H H 23 7.013 7.013 8.377 -1.364 25451 7817 1 16 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.294 0.007 25451 7818 1 16 . 1 1 24 24 PRO C C 24 180.202 180.202 176.590 3.612 25451 7819 1 16 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.433 0.034 25451 7820 1 16 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.426 0.756 25451 7821 1 16 . 1 1 25 25 TYR N N 25 126.810 126.810 115.997 10.813 25451 7822 1 16 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.342 -0.032 25451 7823 1 16 . 1 1 25 25 TYR C C 25 178.632 178.632 178.055 0.577 25451 7824 1 16 . 1 1 25 25 TYR CA C 25 61.715 61.715 58.633 3.082 25451 7825 1 16 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.559 0.217 25451 7826 1 16 . 1 1 25 25 TYR H H 25 9.569 9.569 7.499 2.070 25451 7827 1 16 . 1 1 26 26 CYS N N 26 127.984 127.984 120.997 6.987 25451 7828 1 16 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.175 -0.156 25451 7829 1 16 . 1 1 26 26 CYS C C 26 176.642 176.642 176.778 -0.136 25451 7830 1 16 . 1 1 26 26 CYS CA C 26 64.559 64.559 62.425 2.135 25451 7831 1 16 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.152 2.086 25451 7832 1 16 . 1 1 26 26 CYS H H 26 9.239 9.239 7.829 1.410 25451 7833 1 16 . 1 1 27 27 VAL N N 27 121.054 121.054 120.408 0.646 25451 7834 1 16 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.754 -0.167 25451 7835 1 16 . 1 1 27 27 VAL C C 27 178.614 178.614 177.386 1.228 25451 7836 1 16 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.476 0.284 25451 7837 1 16 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.827 0.263 25451 7838 1 16 . 1 1 27 27 VAL H H 27 8.402 8.402 7.570 0.832 25451 7839 1 16 . 1 1 28 28 ARG N N 28 119.686 119.686 118.710 0.976 25451 7840 1 16 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.920 0.041 25451 7841 1 16 . 1 1 28 28 ARG C C 28 178.742 178.742 178.286 0.456 25451 7842 1 16 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.680 -0.074 25451 7843 1 16 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.751 0.871 25451 7844 1 16 . 1 1 28 28 ARG H H 28 7.655 7.655 8.172 -0.517 25451 7845 1 16 . 1 1 29 29 ALA N N 29 122.324 122.324 122.229 0.095 25451 7846 1 16 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.034 -0.023 25451 7847 1 16 . 1 1 29 29 ALA C C 29 178.906 178.906 179.450 -0.544 25451 7848 1 16 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.149 -0.037 25451 7849 1 16 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.389 0.218 25451 7850 1 16 . 1 1 29 29 ALA H H 29 8.175 8.175 7.748 0.427 25451 7851 1 16 . 1 1 30 30 GLU N N 30 117.151 117.151 118.182 -1.031 25451 7852 1 16 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.991 -0.454 25451 7853 1 16 . 1 1 30 30 GLU C C 30 178.030 178.030 179.222 -1.192 25451 7854 1 16 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.474 1.141 25451 7855 1 16 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.449 0.073 25451 7856 1 16 . 1 1 30 30 GLU H H 30 8.689 8.689 8.454 0.235 25451 7857 1 16 . 1 1 31 31 LYS N N 31 119.597 119.597 120.153 -0.556 25451 7858 1 16 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.081 -0.045 25451 7859 1 16 . 1 1 31 31 LYS C C 31 179.746 179.746 178.386 1.360 25451 7860 1 16 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.255 0.534 25451 7861 1 16 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.471 0.077 25451 7862 1 16 . 1 1 31 31 LYS H H 31 8.359 8.359 7.639 0.720 25451 7863 1 16 . 1 1 32 32 LEU N N 32 121.147 121.147 121.419 -0.272 25451 7864 1 16 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.068 -0.016 25451 7865 1 16 . 1 1 32 32 LEU C C 32 179.198 179.198 179.080 0.118 25451 7866 1 16 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.817 0.688 25451 7867 1 16 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.311 0.868 25451 7868 1 16 . 1 1 32 32 LEU H H 32 7.610 7.610 7.883 -0.273 25451 7869 1 16 . 1 1 33 33 LEU N N 33 118.120 118.120 117.986 0.134 25451 7870 1 16 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.781 -0.019 25451 7871 1 16 . 1 1 33 33 LEU C C 33 179.234 179.234 178.882 0.352 25451 7872 1 16 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.436 -0.022 25451 7873 1 16 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.480 0.974 25451 7874 1 16 . 1 1 33 33 LEU H H 33 7.904 7.904 8.603 -0.699 25451 7875 1 16 . 1 1 34 34 HIS N N 34 117.939 117.939 117.206 0.733 25451 7876 1 16 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.338 0.295 25451 7877 1 16 . 1 1 34 34 HIS C C 34 176.879 176.879 177.209 -0.330 25451 7878 1 16 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.017 0.405 25451 7879 1 16 . 1 1 34 34 HIS CB C 34 30.072 30.072 30.075 -0.002 25451 7880 1 16 . 1 1 34 34 HIS H H 34 8.876 8.876 7.682 1.194 25451 7881 1 16 . 1 1 35 35 ALA N N 35 118.133 118.133 121.451 -3.318 25451 7882 1 16 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.207 0.078 25451 7883 1 16 . 1 1 35 35 ALA C C 35 178.395 178.395 178.786 -0.391 25451 7884 1 16 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.099 -0.914 25451 7885 1 16 . 1 1 35 35 ALA CB C 35 18.515 18.515 19.074 -0.559 25451 7886 1 16 . 1 1 35 35 ALA H H 35 7.229 7.229 7.896 -0.667 25451 7887 1 16 . 1 1 36 36 ARG N N 36 115.692 115.692 116.257 -0.565 25451 7888 1 16 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.535 -0.093 25451 7889 1 16 . 1 1 36 36 ARG C C 36 175.693 175.693 175.373 0.320 25451 7890 1 16 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.156 0.589 25451 7891 1 16 . 1 1 36 36 ARG CB C 36 32.548 32.548 30.599 1.949 25451 7892 1 16 . 1 1 36 36 ARG H H 36 7.647 7.647 7.849 -0.202 25451 7893 1 16 . 1 1 37 37 THR N N 37 114.964 114.964 110.110 4.854 25451 7894 1 16 . 1 1 37 37 THR HA H 37 4.651 4.651 3.845 0.806 25451 7895 1 16 . 1 1 37 37 THR C C 37 170.636 170.636 173.576 -2.940 25451 7896 1 16 . 1 1 37 37 THR CA C 37 60.523 60.523 63.742 -3.219 25451 7897 1 16 . 1 1 37 37 THR CB C 37 68.870 68.870 66.348 2.522 25451 7898 1 16 . 1 1 37 37 THR H H 37 8.087 8.087 7.852 0.235 25451 7899 1 16 . 1 1 38 38 LYS N N 38 121.835 121.835 122.783 -0.948 25451 7900 1 16 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.127 0.540 25451 7901 1 16 . 1 1 38 38 LYS C C 38 178.139 178.139 175.758 2.381 25451 7902 1 16 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.595 -0.300 25451 7903 1 16 . 1 1 38 38 LYS CB C 38 32.732 32.732 31.904 0.828 25451 7904 1 16 . 1 1 38 38 LYS H H 38 8.299 8.299 8.031 0.268 25451 7905 1 16 . 1 1 39 39 ASP N N 39 128.517 128.517 127.435 1.082 25451 7906 1 16 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.432 0.451 25451 7907 1 16 . 1 1 39 39 ASP C C 39 172.754 172.754 174.936 -2.182 25451 7908 1 16 . 1 1 39 39 ASP CA C 39 54.103 54.103 55.600 -1.497 25451 7909 1 16 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.982 0.005 25451 7910 1 16 . 1 1 39 39 ASP H H 39 8.823 8.823 8.393 0.430 25451 7911 1 16 . 1 1 40 40 ILE N N 40 116.959 116.959 123.922 -6.963 25451 7912 1 16 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.895 0.378 25451 7913 1 16 . 1 1 40 40 ILE C C 40 174.470 174.470 174.718 -0.248 25451 7914 1 16 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.019 -1.981 25451 7915 1 16 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.896 -0.176 25451 7916 1 16 . 1 1 40 40 ILE H H 40 7.273 7.273 7.823 -0.550 25451 7917 1 16 . 1 1 41 41 THR N N 41 125.545 125.545 122.466 3.079 25451 7918 1 16 . 1 1 41 41 THR HA H 41 4.260 4.260 4.519 -0.259 25451 7919 1 16 . 1 1 41 41 THR C C 41 171.476 171.476 171.920 -0.444 25451 7920 1 16 . 1 1 41 41 THR CA C 41 61.807 61.807 61.345 0.462 25451 7921 1 16 . 1 1 41 41 THR CB C 41 72.172 72.172 70.855 1.317 25451 7922 1 16 . 1 1 41 41 THR H H 41 8.564 8.564 8.600 -0.036 25451 7923 1 16 . 1 1 42 42 VAL N N 42 126.913 126.913 125.331 1.582 25451 7924 1 16 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.751 -0.508 25451 7925 1 16 . 1 1 42 42 VAL C C 42 174.086 174.086 174.012 0.074 25451 7926 1 16 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.888 0.360 25451 7927 1 16 . 1 1 42 42 VAL CB C 42 32.824 32.824 34.399 -1.575 25451 7928 1 16 . 1 1 42 42 VAL H H 42 8.271 8.271 8.153 0.118 25451 7929 1 16 . 1 1 43 43 HIS N N 43 127.392 127.392 128.006 -0.614 25451 7930 1 16 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.752 -0.185 25451 7931 1 16 . 1 1 43 43 HIS C C 43 174.543 174.543 174.170 0.373 25451 7932 1 16 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.721 -0.618 25451 7933 1 16 . 1 1 43 43 HIS CB C 43 31.815 31.815 32.102 -0.287 25451 7934 1 16 . 1 1 43 43 HIS H H 43 8.829 8.829 8.904 -0.075 25451 7935 1 16 . 1 1 44 44 TYR N N 44 126.221 126.221 126.376 -0.155 25451 7936 1 16 . 1 1 44 44 TYR HA H 44 5.206 5.206 5.245 -0.039 25451 7937 1 16 . 1 1 44 44 TYR C C 44 177.865 177.865 176.720 1.145 25451 7938 1 16 . 1 1 44 44 TYR CA C 44 57.313 57.313 55.182 2.131 25451 7939 1 16 . 1 1 44 44 TYR CB C 44 35.850 35.850 36.785 -0.935 25451 7940 1 16 . 1 1 44 44 TYR H H 44 8.938 8.938 9.119 -0.181 25451 7941 1 16 . 1 1 45 45 VAL N N 45 120.086 120.086 119.991 0.095 25451 7942 1 16 . 1 1 45 45 VAL HA H 45 4.351 4.351 4.177 0.174 25451 7943 1 16 . 1 1 45 45 VAL C C 45 176.952 176.952 176.577 0.375 25451 7944 1 16 . 1 1 45 45 VAL CA C 45 63.917 63.917 64.218 -0.301 25451 7945 1 16 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.407 -0.143 25451 7946 1 16 . 1 1 45 45 VAL H H 45 9.037 9.037 8.231 0.806 25451 7947 1 16 . 1 1 46 46 ASP N N 46 118.427 118.427 118.418 0.009 25451 7948 1 16 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.663 -0.254 25451 7949 1 16 . 1 1 46 46 ASP C C 46 176.989 176.989 177.034 -0.045 25451 7950 1 16 . 1 1 46 46 ASP CA C 46 54.745 54.745 55.010 -0.265 25451 7951 1 16 . 1 1 46 46 ASP CB C 46 36.859 36.859 41.361 -4.502 25451 7952 1 16 . 1 1 46 46 ASP H H 46 10.711 10.711 8.630 2.081 25451 7953 1 16 . 1 1 47 47 LYS N N 47 119.396 119.396 119.168 0.228 25451 7954 1 16 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.332 0.210 25451 7955 1 16 . 1 1 47 47 LYS C C 47 176.350 176.350 177.648 -1.298 25451 7956 1 16 . 1 1 47 47 LYS CA C 47 55.020 55.020 56.559 -1.539 25451 7957 1 16 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.273 -0.633 25451 7958 1 16 . 1 1 47 47 LYS H H 47 7.801 7.801 8.054 -0.253 25451 7959 1 16 . 1 1 48 48 MET N N 48 118.957 118.957 120.323 -1.366 25451 7960 1 16 . 1 1 48 48 MET C C 48 177.500 177.500 178.294 -0.794 25451 7961 1 16 . 1 1 48 48 MET CA C 48 54.928 54.928 56.435 -1.507 25451 7962 1 16 . 1 1 48 48 MET CB C 48 36.492 36.492 32.730 3.762 25451 7963 1 16 . 1 1 48 48 MET H H 48 7.331 7.331 8.252 -0.921 25451 7964 1 16 . 1 1 49 49 SER HA H 49 4.260 4.260 4.182 0.078 25451 7965 1 16 . 1 1 49 49 SER C C 49 176.898 176.898 176.786 0.112 25451 7966 1 16 . 1 1 49 49 SER CA C 49 61.899 61.899 61.686 0.213 25451 7967 1 16 . 1 1 50 50 GLU N N 50 121.350 121.350 120.904 0.446 25451 7968 1 16 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.209 0.541 25451 7969 1 16 . 1 1 50 50 GLU C C 50 176.971 176.971 178.425 -1.454 25451 7970 1 16 . 1 1 50 50 GLU CA C 50 56.487 56.487 56.961 -0.474 25451 7971 1 16 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.485 -1.246 25451 7972 1 16 . 1 1 50 50 GLU H H 50 10.024 10.024 8.805 1.219 25451 7973 1 16 . 1 1 51 51 GLY N N 51 109.546 109.546 108.287 1.259 25451 7974 1 16 . 1 1 51 51 GLY C C 51 175.602 175.602 175.665 -0.063 25451 7975 1 16 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.058 1.817 25451 7976 1 16 . 1 1 51 51 GLY H H 51 8.124 8.124 8.004 0.120 25451 7977 1 16 . 1 1 52 52 GLU N N 52 120.614 120.614 120.975 -0.361 25451 7978 1 16 . 1 1 52 52 GLU HA H 52 4.202 4.202 3.954 0.248 25451 7979 1 16 . 1 1 52 52 GLU C C 52 180.056 180.056 178.905 1.151 25451 7980 1 16 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.486 -0.064 25451 7981 1 16 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.253 -0.282 25451 7982 1 16 . 1 1 52 52 GLU H H 52 8.821 8.821 7.980 0.841 25451 7983 1 16 . 1 1 53 53 GLN N N 53 123.591 123.591 119.156 4.435 25451 7984 1 16 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.116 0.028 25451 7985 1 16 . 1 1 53 53 GLN C C 53 179.600 179.600 178.031 1.569 25451 7986 1 16 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.691 0.365 25451 7987 1 16 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.730 -1.043 25451 7988 1 16 . 1 1 53 53 GLN H H 53 8.117 8.117 8.268 -0.151 25451 7989 1 16 . 1 1 54 54 LEU N N 54 120.960 120.960 119.782 1.178 25451 7990 1 16 . 1 1 54 54 LEU HA H 54 4.011 4.011 4.096 -0.085 25451 7991 1 16 . 1 1 54 54 LEU C C 54 179.417 179.417 179.522 -0.105 25451 7992 1 16 . 1 1 54 54 LEU CA C 54 57.863 57.863 56.712 1.151 25451 7993 1 16 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.619 -0.183 25451 7994 1 16 . 1 1 54 54 LEU H H 54 8.249 8.249 7.470 0.779 25451 7995 1 16 . 1 1 55 55 ARG N N 55 118.038 118.038 120.127 -2.089 25451 7996 1 16 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.947 -0.152 25451 7997 1 16 . 1 1 55 55 ARG C C 55 180.439 180.439 178.672 1.767 25451 7998 1 16 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.689 0.926 25451 7999 1 16 . 1 1 55 55 ARG CB C 55 29.522 29.522 30.026 -0.504 25451 8000 1 16 . 1 1 55 55 ARG H H 55 8.402 8.402 8.698 -0.296 25451 8001 1 16 . 1 1 56 56 GLY N N 56 110.675 110.675 107.085 3.590 25451 8002 1 16 . 1 1 56 56 GLY C C 56 176.350 176.350 176.155 0.195 25451 8003 1 16 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.265 -0.041 25451 8004 1 16 . 1 1 56 56 GLY H H 56 8.376 8.376 8.279 0.097 25451 8005 1 16 . 1 1 57 57 GLU N N 57 124.469 124.469 121.842 2.627 25451 8006 1 16 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.138 -0.060 25451 8007 1 16 . 1 1 57 57 GLU C C 57 180.184 180.184 179.099 1.085 25451 8008 1 16 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.648 0.959 25451 8009 1 16 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.073 0.907 25451 8010 1 16 . 1 1 57 57 GLU H H 57 8.146 8.146 7.497 0.649 25451 8011 1 16 . 1 1 58 58 ILE N N 58 121.352 121.352 120.727 0.625 25451 8012 1 16 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.866 -0.179 25451 8013 1 16 . 1 1 58 58 ILE C C 58 178.030 178.030 177.733 0.297 25451 8014 1 16 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.369 0.199 25451 8015 1 16 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.968 0.360 25451 8016 1 16 . 1 1 58 58 ILE H H 58 8.201 8.201 7.441 0.760 25451 8017 1 16 . 1 1 59 59 TYR N N 59 121.934 121.934 121.058 0.876 25451 8018 1 16 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.335 -0.200 25451 8019 1 16 . 1 1 59 59 TYR C C 59 178.322 178.322 178.492 -0.170 25451 8020 1 16 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.873 0.118 25451 8021 1 16 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.744 -0.784 25451 8022 1 16 . 1 1 59 59 TYR H H 59 8.256 8.256 8.670 -0.414 25451 8023 1 16 . 1 1 60 60 GLN N N 60 119.694 119.694 117.907 1.787 25451 8024 1 16 . 1 1 60 60 GLN HA H 60 3.679 3.679 4.007 -0.328 25451 8025 1 16 . 1 1 60 60 GLN C C 60 177.336 177.336 176.940 0.396 25451 8026 1 16 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.542 0.238 25451 8027 1 16 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.636 -0.123 25451 8028 1 16 . 1 1 60 60 GLN H H 60 8.512 8.512 8.248 0.264 25451 8029 1 16 . 1 1 61 61 ALA N N 61 117.444 117.444 119.390 -1.946 25451 8030 1 16 . 1 1 61 61 ALA HA H 61 3.969 3.969 4.065 -0.096 25451 8031 1 16 . 1 1 61 61 ALA C C 61 179.180 179.180 178.088 1.092 25451 8032 1 16 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.557 0.179 25451 8033 1 16 . 1 1 61 61 ALA CB C 61 19.157 19.157 19.032 0.125 25451 8034 1 16 . 1 1 61 61 ALA H H 61 7.749 7.749 7.568 0.181 25451 8035 1 16 . 1 1 62 62 TYR N N 62 113.265 113.265 113.692 -0.427 25451 8036 1 16 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.677 -0.152 25451 8037 1 16 . 1 1 62 62 TYR C C 62 175.036 175.036 175.387 -0.351 25451 8038 1 16 . 1 1 62 62 TYR CA C 62 57.313 57.313 57.841 -0.528 25451 8039 1 16 . 1 1 62 62 TYR CB C 62 38.969 38.969 39.555 -0.586 25451 8040 1 16 . 1 1 62 62 TYR H H 62 7.801 7.801 8.038 -0.237 25451 8041 1 16 . 1 1 63 63 LYS N N 63 117.584 117.584 115.377 2.207 25451 8042 1 16 . 1 1 63 63 LYS HA H 63 3.504 3.504 3.144 0.360 25451 8043 1 16 . 1 1 63 63 LYS C C 63 173.812 173.812 174.241 -0.429 25451 8044 1 16 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.993 -0.322 25451 8045 1 16 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.383 -0.870 25451 8046 1 16 . 1 1 63 63 LYS H H 63 8.098 8.098 7.732 0.366 25451 8047 1 16 . 1 1 64 64 HIS N N 64 118.618 118.618 114.842 3.776 25451 8048 1 16 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.645 0.312 25451 8049 1 16 . 1 1 64 64 HIS C C 64 175.985 175.985 175.178 0.807 25451 8050 1 16 . 1 1 64 64 HIS CA C 64 55.754 55.754 55.138 0.616 25451 8051 1 16 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.621 1.312 25451 8052 1 16 . 1 1 64 64 HIS H H 64 6.524 6.524 7.377 -0.853 25451 8053 1 16 . 1 1 65 65 GLU N N 65 126.723 126.723 121.540 5.183 25451 8054 1 16 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.546 -0.153 25451 8055 1 16 . 1 1 65 65 GLU C C 65 175.346 175.346 175.912 -0.566 25451 8056 1 16 . 1 1 65 65 GLU CA C 65 56.946 56.946 57.392 -0.446 25451 8057 1 16 . 1 1 65 65 GLU CB C 65 32.273 32.273 30.982 1.291 25451 8058 1 16 . 1 1 65 65 GLU H H 65 9.188 9.188 8.722 0.466 25451 8059 1 16 . 1 1 66 66 THR N N 66 108.043 108.043 108.946 -0.903 25451 8060 1 16 . 1 1 66 66 THR HA H 66 4.393 4.393 4.512 -0.119 25451 8061 1 16 . 1 1 66 66 THR C C 66 174.579 174.579 173.139 1.440 25451 8062 1 16 . 1 1 66 66 THR CA C 66 59.698 59.698 60.819 -1.121 25451 8063 1 16 . 1 1 66 66 THR CB C 66 71.071 71.071 71.731 -0.660 25451 8064 1 16 . 1 1 66 66 THR H H 66 6.296 6.296 7.365 -1.069 25451 8065 1 16 . 1 1 67 67 VAL N N 67 112.473 112.473 114.982 -2.509 25451 8066 1 16 . 1 1 67 67 VAL C C 67 173.027 173.027 174.790 -1.763 25451 8067 1 16 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.069 -4.022 25451 8068 1 16 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.126 1.056 25451 8069 1 16 . 1 1 67 67 VAL H H 67 7.688 7.688 8.545 -0.857 25451 8070 1 16 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.371 1.059 25451 8071 1 16 . 1 1 68 68 PRO C C 68 176.405 176.405 175.312 1.093 25451 8072 1 16 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.919 -1.112 25451 8073 1 16 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.133 2.708 25451 8074 1 16 . 1 1 69 69 ALA N N 69 124.309 124.309 121.632 2.677 25451 8075 1 16 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.545 0.263 25451 8076 1 16 . 1 1 69 69 ALA C C 69 175.273 175.273 176.166 -0.893 25451 8077 1 16 . 1 1 69 69 ALA CA C 69 51.351 51.351 50.986 0.365 25451 8078 1 16 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.985 0.740 25451 8079 1 16 . 1 1 69 69 ALA H H 69 8.952 8.952 8.024 0.928 25451 8080 1 16 . 1 1 70 70 ILE N N 70 124.569 124.569 121.296 3.273 25451 8081 1 16 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.893 -0.343 25451 8082 1 16 . 1 1 70 70 ILE C C 70 172.553 172.553 174.037 -1.484 25451 8083 1 16 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.146 1.936 25451 8084 1 16 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.417 -1.348 25451 8085 1 16 . 1 1 70 70 ILE H H 70 8.447 8.447 8.385 0.062 25451 8086 1 16 . 1 1 71 71 PHE N N 71 127.490 127.490 124.005 3.485 25451 8087 1 16 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.681 -0.458 25451 8088 1 16 . 1 1 71 71 PHE C C 71 174.798 174.798 174.949 -0.151 25451 8089 1 16 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.030 0.091 25451 8090 1 16 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.494 -1.407 25451 8091 1 16 . 1 1 71 71 PHE H H 71 9.219 9.219 9.245 -0.026 25451 8092 1 16 . 1 1 72 72 ILE N N 72 118.614 118.614 121.787 -3.173 25451 8093 1 16 . 1 1 72 72 ILE HA H 72 5.107 5.107 5.041 0.066 25451 8094 1 16 . 1 1 72 72 ILE C C 72 177.518 177.518 176.170 1.348 25451 8095 1 16 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.446 0.077 25451 8096 1 16 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.510 0.477 25451 8097 1 16 . 1 1 72 72 ILE H H 72 8.715 8.715 9.228 -0.513 25451 8098 1 16 . 1 1 73 73 ASN N N 73 129.431 129.431 127.037 2.394 25451 8099 1 16 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.393 0.274 25451 8100 1 16 . 1 1 73 73 ASN C C 73 175.273 175.273 175.735 -0.462 25451 8101 1 16 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.708 -0.146 25451 8102 1 16 . 1 1 73 73 ASN CB C 73 37.318 37.318 37.189 0.129 25451 8103 1 16 . 1 1 73 73 ASN H H 73 10.691 10.691 9.440 1.251 25451 8104 1 16 . 1 1 74 74 GLY N N 74 104.235 104.235 102.004 2.231 25451 8105 1 16 . 1 1 74 74 GLY C C 74 172.754 172.754 174.325 -1.571 25451 8106 1 16 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.283 -0.261 25451 8107 1 16 . 1 1 74 74 GLY H H 74 9.529 9.529 8.865 0.664 25451 8108 1 16 . 1 1 75 75 ASN N N 75 119.009 119.009 119.204 -0.195 25451 8109 1 16 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.136 -0.038 25451 8110 1 16 . 1 1 75 75 ASN C C 75 174.269 174.269 173.721 0.548 25451 8111 1 16 . 1 1 75 75 ASN CA C 75 51.626 51.626 51.956 -0.330 25451 8112 1 16 . 1 1 75 75 ASN CB C 75 39.978 39.978 40.416 -0.438 25451 8113 1 16 . 1 1 75 75 ASN H H 75 8.116 8.116 8.073 0.043 25451 8114 1 16 . 1 1 76 76 PHE N N 76 124.901 124.901 122.096 2.805 25451 8115 1 16 . 1 1 76 76 PHE HA H 76 3.654 3.654 5.234 -1.580 25451 8116 1 16 . 1 1 76 76 PHE C C 76 175.273 175.273 174.825 0.448 25451 8117 1 16 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.364 1.499 25451 8118 1 16 . 1 1 76 76 PHE CB C 76 38.877 38.877 41.237 -2.360 25451 8119 1 16 . 1 1 76 76 PHE H H 76 9.004 9.004 8.674 0.330 25451 8120 1 16 . 1 1 77 77 ILE N N 77 126.459 126.459 126.152 0.307 25451 8121 1 16 . 1 1 77 77 ILE C C 77 174.506 174.506 173.111 1.395 25451 8122 1 16 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.845 -1.340 25451 8123 1 16 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.903 -4.493 25451 8124 1 16 . 1 1 77 77 ILE H H 77 8.161 8.161 8.245 -0.084 25451 8125 1 16 . 1 1 78 78 GLY C C 78 172.005 172.005 173.103 -1.098 25451 8126 1 16 . 1 1 78 78 GLY CA C 78 43.555 43.555 44.184 -0.629 25451 8127 1 16 . 1 1 79 79 GLY N N 79 109.745 109.745 111.564 -1.819 25451 8128 1 16 . 1 1 79 79 GLY C C 79 174.981 174.981 174.118 0.863 25451 8129 1 16 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.691 -1.228 25451 8130 1 16 . 1 1 79 79 GLY H H 79 9.114 9.114 7.886 1.228 25451 8131 1 16 . 1 1 80 80 CYS N N 80 120.764 120.764 122.159 -1.395 25451 8132 1 16 . 1 1 80 80 CYS C C 80 176.533 176.533 176.287 0.246 25451 8133 1 16 . 1 1 80 80 CYS CA C 80 63.825 63.825 62.532 1.293 25451 8134 1 16 . 1 1 80 80 CYS CB C 80 26.770 26.770 27.284 -0.514 25451 8135 1 16 . 1 1 80 80 CYS H H 80 8.571 8.571 8.762 -0.191 25451 8136 1 16 . 1 1 81 81 SER HA H 81 3.903 3.903 4.096 -0.193 25451 8137 1 16 . 1 1 81 81 SER C C 81 177.318 177.318 175.828 1.490 25451 8138 1 16 . 1 1 81 81 SER CA C 81 61.440 61.440 61.449 -0.009 25451 8139 1 16 . 1 1 82 82 ASP N N 82 122.226 122.226 122.705 -0.479 25451 8140 1 16 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.383 -0.032 25451 8141 1 16 . 1 1 82 82 ASP C C 82 177.993 177.993 177.960 0.033 25451 8142 1 16 . 1 1 82 82 ASP CA C 82 57.129 57.129 56.576 0.553 25451 8143 1 16 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.651 0.885 25451 8144 1 16 . 1 1 82 82 ASP H H 82 7.060 7.060 7.713 -0.653 25451 8145 1 16 . 1 1 83 83 LEU N N 83 121.542 121.542 120.545 0.997 25451 8146 1 16 . 1 1 83 83 LEU HA H 83 3.787 3.787 4.003 -0.216 25451 8147 1 16 . 1 1 83 83 LEU C C 83 177.957 177.957 178.363 -0.406 25451 8148 1 16 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.972 -0.109 25451 8149 1 16 . 1 1 83 83 LEU CB C 83 42.087 42.087 42.020 0.067 25451 8150 1 16 . 1 1 83 83 LEU H H 83 7.793 7.793 7.956 -0.163 25451 8151 1 16 . 1 1 84 84 GLU N N 84 117.702 117.702 118.753 -1.051 25451 8152 1 16 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.896 -0.076 25451 8153 1 16 . 1 1 84 84 GLU C C 84 179.161 179.161 178.716 0.445 25451 8154 1 16 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.378 0.320 25451 8155 1 16 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.334 0.188 25451 8156 1 16 . 1 1 84 84 GLU H H 84 8.432 8.432 8.002 0.430 25451 8157 1 16 . 1 1 85 85 ALA N N 85 122.903 122.903 122.631 0.272 25451 8158 1 16 . 1 1 85 85 ALA HA H 85 4.177 4.177 3.997 0.180 25451 8159 1 16 . 1 1 85 85 ALA C C 85 179.892 179.892 179.296 0.596 25451 8160 1 16 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.269 0.026 25451 8161 1 16 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.328 -0.547 25451 8162 1 16 . 1 1 85 85 ALA H H 85 7.890 7.890 7.891 -0.001 25451 8163 1 16 . 1 1 86 86 LEU N N 86 118.087 118.087 118.372 -0.285 25451 8164 1 16 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.899 0.120 25451 8165 1 16 . 1 1 86 86 LEU C C 86 179.764 179.764 178.906 0.858 25451 8166 1 16 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.544 0.136 25451 8167 1 16 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.279 1.542 25451 8168 1 16 . 1 1 86 86 LEU H H 86 7.567 7.567 7.608 -0.041 25451 8169 1 16 . 1 1 87 87 ASP N N 87 119.239 119.239 120.935 -1.696 25451 8170 1 16 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.327 0.174 25451 8171 1 16 . 1 1 87 87 ASP C C 87 179.563 179.563 179.010 0.553 25451 8172 1 16 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.722 -0.868 25451 8173 1 16 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.796 1.200 25451 8174 1 16 . 1 1 87 87 ASP H H 87 7.985 7.985 7.731 0.254 25451 8175 1 16 . 1 1 88 88 LYS N N 88 121.741 121.741 119.943 1.798 25451 8176 1 16 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.094 -0.058 25451 8177 1 16 . 1 1 88 88 LYS C C 88 178.778 178.778 178.874 -0.096 25451 8178 1 16 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.381 0.766 25451 8179 1 16 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.493 -0.311 25451 8180 1 16 . 1 1 88 88 LYS H H 88 8.461 8.461 8.123 0.338 25451 8181 1 16 . 1 1 89 89 GLU N N 89 115.496 115.496 115.654 -0.158 25451 8182 1 16 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.342 -0.032 25451 8183 1 16 . 1 1 89 89 GLU C C 89 176.806 176.806 177.452 -0.646 25451 8184 1 16 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.125 0.087 25451 8185 1 16 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.744 0.603 25451 8186 1 16 . 1 1 89 89 GLU H H 89 7.838 7.838 8.032 -0.194 25451 8187 1 16 . 1 1 90 90 GLY N N 90 108.622 108.622 108.050 0.572 25451 8188 1 16 . 1 1 90 90 GLY C C 90 175.985 175.985 175.176 0.809 25451 8189 1 16 . 1 1 90 90 GLY CA C 90 46.215 46.215 46.139 0.076 25451 8190 1 16 . 1 1 90 90 GLY H H 90 7.992 7.992 8.011 -0.019 25451 8191 1 16 . 1 1 91 91 LYS N N 91 117.355 117.355 120.773 -3.418 25451 8192 1 16 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.292 0.034 25451 8193 1 16 . 1 1 91 91 LYS C C 91 177.518 177.518 177.683 -0.165 25451 8194 1 16 . 1 1 91 91 LYS CA C 91 56.487 56.487 57.485 -0.998 25451 8195 1 16 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.528 2.590 25451 8196 1 16 . 1 1 91 91 LYS H H 91 8.047 8.047 7.742 0.305 25451 8197 1 16 . 1 1 92 92 LEU N N 92 121.641 121.641 120.597 1.044 25451 8198 1 16 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.084 -0.131 25451 8199 1 16 . 1 1 92 92 LEU C C 92 177.518 177.518 178.107 -0.589 25451 8200 1 16 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.883 -0.387 25451 8201 1 16 . 1 1 92 92 LEU CB C 92 41.170 41.170 41.949 -0.779 25451 8202 1 16 . 1 1 92 92 LEU H H 92 7.582 7.582 7.858 -0.276 25451 8203 1 16 . 1 1 93 93 ASP N N 93 118.032 118.032 118.516 -0.484 25451 8204 1 16 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.459 -0.241 25451 8205 1 16 . 1 1 93 93 ASP C C 93 179.344 179.344 177.854 1.490 25451 8206 1 16 . 1 1 93 93 ASP CA C 93 57.955 57.955 56.778 1.177 25451 8207 1 16 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.308 -0.422 25451 8208 1 16 . 1 1 93 93 ASP H H 93 8.194 8.194 7.699 0.495 25451 8209 1 16 . 1 1 94 94 GLY N N 94 107.012 107.012 106.744 0.268 25451 8210 1 16 . 1 1 94 94 GLY C C 94 176.368 176.368 175.423 0.945 25451 8211 1 16 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.324 0.074 25451 8212 1 16 . 1 1 94 94 GLY H H 94 8.271 8.271 7.783 0.488 25451 8213 1 16 . 1 1 95 95 LEU N N 95 120.472 120.472 119.357 1.115 25451 8214 1 16 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.279 -0.027 25451 8215 1 16 . 1 1 95 95 LEU C C 95 178.285 178.285 177.109 1.176 25451 8216 1 16 . 1 1 95 95 LEU CA C 95 56.487 56.487 55.110 1.377 25451 8217 1 16 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.431 0.298 25451 8218 1 16 . 1 1 95 95 LEU H H 95 7.475 7.475 7.579 -0.104 25451 8219 1 16 . 1 1 96 96 LEU N N 96 116.181 116.181 119.498 -3.317 25451 8220 1 16 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.133 0.127 25451 8221 1 16 . 1 1 96 96 LEU C C 96 176.186 176.186 175.736 0.450 25451 8222 1 16 . 1 1 96 96 LEU CA C 96 54.561 54.561 55.974 -1.413 25451 8223 1 16 . 1 1 96 96 LEU CB C 96 42.271 42.271 42.672 -0.401 25451 8224 1 16 . 1 1 96 96 LEU H H 96 7.394 7.394 7.073 0.321 25451 8225 1 17 . 1 1 5 5 SER HA H 5 4.492 4.492 4.385 0.107 25451 8226 1 17 . 1 1 5 5 SER C C 5 176.496 176.496 176.254 0.242 25451 8227 1 17 . 1 1 5 5 SER CA C 5 59.422 59.422 57.176 2.245 25451 8228 1 17 . 1 1 5 5 SER CB C 5 64.100 64.100 64.371 -0.271 25451 8229 1 17 . 1 1 6 6 ILE N N 6 120.626 120.626 117.708 2.918 25451 8230 1 17 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.774 0.037 25451 8231 1 17 . 1 1 6 6 ILE C C 6 176.952 176.952 177.292 -0.340 25451 8232 1 17 . 1 1 6 6 ILE CA C 6 64.100 64.100 64.132 -0.032 25451 8233 1 17 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.492 -0.082 25451 8234 1 17 . 1 1 6 6 ILE H H 6 9.168 9.168 8.754 0.414 25451 8235 1 17 . 1 1 7 7 ALA N N 7 122.320 122.320 123.378 -1.058 25451 8236 1 17 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.881 0.013 25451 8237 1 17 . 1 1 7 7 ALA C C 7 179.837 179.837 179.681 0.156 25451 8238 1 17 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.781 0.422 25451 8239 1 17 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.774 0.374 25451 8240 1 17 . 1 1 7 7 ALA H H 7 7.882 7.882 8.021 -0.139 25451 8241 1 17 . 1 1 8 8 SER N N 8 110.329 110.329 113.515 -3.186 25451 8242 1 17 . 1 1 8 8 SER HA H 8 4.227 4.227 4.222 0.005 25451 8243 1 17 . 1 1 8 8 SER C C 8 177.409 177.409 176.745 0.664 25451 8244 1 17 . 1 1 8 8 SER CA C 8 60.156 60.156 60.956 -0.800 25451 8245 1 17 . 1 1 8 8 SER CB C 8 62.908 62.908 63.148 -0.240 25451 8246 1 17 . 1 1 8 8 SER H H 8 7.647 7.647 7.821 -0.174 25451 8247 1 17 . 1 1 9 9 MET N N 9 122.133 122.133 121.045 1.088 25451 8248 1 17 . 1 1 9 9 MET HA H 9 4.127 4.127 4.194 -0.067 25451 8249 1 17 . 1 1 9 9 MET C C 9 180.841 180.841 177.807 3.034 25451 8250 1 17 . 1 1 9 9 MET CA C 9 59.147 59.147 58.739 0.408 25451 8251 1 17 . 1 1 9 9 MET CB C 9 35.025 35.025 32.794 2.231 25451 8252 1 17 . 1 1 9 9 MET H H 9 7.787 7.787 7.704 0.083 25451 8253 1 17 . 1 1 10 10 ILE N N 10 115.009 115.009 116.204 -1.195 25451 8254 1 17 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.906 -0.144 25451 8255 1 17 . 1 1 10 10 ILE C C 10 174.981 174.981 177.410 -2.429 25451 8256 1 17 . 1 1 10 10 ILE CA C 10 65.293 65.293 62.176 3.117 25451 8257 1 17 . 1 1 10 10 ILE CB C 10 37.776 37.776 36.409 1.367 25451 8258 1 17 . 1 1 10 10 ILE H H 10 8.315 8.315 7.676 0.639 25451 8259 1 17 . 1 1 11 11 LYS N N 11 117.153 117.153 118.188 -1.035 25451 8260 1 17 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.287 0.222 25451 8261 1 17 . 1 1 11 11 LYS C C 11 177.774 177.774 177.530 0.244 25451 8262 1 17 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.242 -1.762 25451 8263 1 17 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.288 -0.014 25451 8264 1 17 . 1 1 11 11 LYS H H 11 6.877 6.877 7.363 -0.486 25451 8265 1 17 . 1 1 12 12 GLY N N 12 106.134 106.134 107.713 -1.579 25451 8266 1 17 . 1 1 12 12 GLY C C 12 172.553 172.553 174.850 -2.297 25451 8267 1 17 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.260 1.046 25451 8268 1 17 . 1 1 12 12 GLY H H 12 7.757 7.757 7.963 -0.206 25451 8269 1 17 . 1 1 13 13 ASN N N 13 115.402 115.402 116.781 -1.379 25451 8270 1 17 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.952 -0.360 25451 8271 1 17 . 1 1 13 13 ASN C C 13 174.068 174.068 174.009 0.059 25451 8272 1 17 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.126 -1.967 25451 8273 1 17 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.731 -0.836 25451 8274 1 17 . 1 1 13 13 ASN H H 13 7.214 7.214 7.588 -0.374 25451 8275 1 17 . 1 1 14 14 LYS N N 14 122.033 122.033 121.038 0.995 25451 8276 1 17 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.214 -0.145 25451 8277 1 17 . 1 1 14 14 LYS C C 14 176.533 176.533 176.062 0.471 25451 8278 1 17 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.791 1.182 25451 8279 1 17 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.414 -1.874 25451 8280 1 17 . 1 1 14 14 LYS H H 14 8.351 8.351 8.626 -0.275 25451 8281 1 17 . 1 1 15 15 VAL N N 15 117.450 117.450 117.811 -0.361 25451 8282 1 17 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.055 -0.031 25451 8283 1 17 . 1 1 15 15 VAL C C 15 174.543 174.543 174.409 0.134 25451 8284 1 17 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.740 -0.400 25451 8285 1 17 . 1 1 15 15 VAL CB C 15 32.732 32.732 34.320 -1.588 25451 8286 1 17 . 1 1 15 15 VAL H H 15 8.021 8.021 7.542 0.479 25451 8287 1 17 . 1 1 16 16 VAL N N 16 128.604 128.604 128.003 0.601 25451 8288 1 17 . 1 1 16 16 VAL HA H 16 4.891 4.891 4.980 -0.089 25451 8289 1 17 . 1 1 16 16 VAL C C 16 173.922 173.922 174.532 -0.610 25451 8290 1 17 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.846 0.503 25451 8291 1 17 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.306 -0.098 25451 8292 1 17 . 1 1 16 16 VAL H H 16 8.909 8.909 8.993 -0.084 25451 8293 1 17 . 1 1 17 17 VAL N N 17 126.814 126.814 124.820 1.994 25451 8294 1 17 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.178 -0.163 25451 8295 1 17 . 1 1 17 17 VAL C C 17 173.593 173.593 174.417 -0.824 25451 8296 1 17 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.242 -0.360 25451 8297 1 17 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.591 -0.108 25451 8298 1 17 . 1 1 17 17 VAL H H 17 8.359 8.359 8.893 -0.534 25451 8299 1 17 . 1 1 18 18 PHE N N 18 125.697 125.697 125.051 0.646 25451 8300 1 17 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.493 -0.079 25451 8301 1 17 . 1 1 18 18 PHE C C 18 175.364 175.364 175.132 0.232 25451 8302 1 17 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.402 0.727 25451 8303 1 17 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.956 -2.620 25451 8304 1 17 . 1 1 18 18 PHE H H 18 9.015 9.015 9.392 -0.377 25451 8305 1 17 . 1 1 19 19 SER N N 19 120.570 120.570 115.996 4.574 25451 8306 1 17 . 1 1 19 19 SER HA H 19 5.215 5.215 4.814 0.401 25451 8307 1 17 . 1 1 19 19 SER C C 19 173.539 173.539 172.217 1.322 25451 8308 1 17 . 1 1 19 19 SER CA C 19 57.863 57.863 57.226 0.637 25451 8309 1 17 . 1 1 19 19 SER CB C 19 69.512 69.512 66.028 3.485 25451 8310 1 17 . 1 1 19 19 SER H H 19 9.137 9.137 9.096 0.041 25451 8311 1 17 . 1 1 20 20 TRP N N 20 122.520 122.520 121.440 1.080 25451 8312 1 17 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.106 0.839 25451 8313 1 17 . 1 1 20 20 TRP C C 20 178.030 178.030 175.498 2.532 25451 8314 1 17 . 1 1 20 20 TRP CA C 20 54.011 54.011 55.668 -1.657 25451 8315 1 17 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.735 1.456 25451 8316 1 17 . 1 1 20 20 TRP H H 20 8.520 8.520 8.666 -0.146 25451 8317 1 17 . 1 1 21 21 VAL N N 21 124.864 124.864 124.025 0.839 25451 8318 1 17 . 1 1 21 21 VAL C C 21 177.208 177.208 176.404 0.804 25451 8319 1 17 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.758 2.626 25451 8320 1 17 . 1 1 21 21 VAL CB C 21 32.273 32.273 32.437 -0.164 25451 8321 1 17 . 1 1 21 21 VAL H H 21 9.956 9.956 8.337 1.619 25451 8322 1 17 . 1 1 22 22 THR HA H 22 4.542 4.542 4.629 -0.087 25451 8323 1 17 . 1 1 22 22 THR C C 22 174.269 174.269 172.975 1.294 25451 8324 1 17 . 1 1 22 22 THR CA C 22 60.982 60.982 61.718 -0.736 25451 8325 1 17 . 1 1 22 22 THR CB C 22 69.237 69.237 69.425 -0.188 25451 8326 1 17 . 1 1 23 23 CYS N N 23 127.689 127.689 126.499 1.190 25451 8327 1 17 . 1 1 23 23 CYS C C 23 175.054 175.054 174.386 0.668 25451 8328 1 17 . 1 1 23 23 CYS CA C 23 56.396 56.396 54.939 1.457 25451 8329 1 17 . 1 1 23 23 CYS CB C 23 32.273 32.273 30.223 2.050 25451 8330 1 17 . 1 1 23 23 CYS H H 23 7.013 7.013 8.467 -1.454 25451 8331 1 17 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.313 -0.012 25451 8332 1 17 . 1 1 24 24 PRO C C 24 180.202 180.202 176.633 3.569 25451 8333 1 17 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.717 -0.250 25451 8334 1 17 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.440 0.742 25451 8335 1 17 . 1 1 25 25 TYR N N 25 126.810 126.810 116.982 9.828 25451 8336 1 17 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.559 -0.249 25451 8337 1 17 . 1 1 25 25 TYR C C 25 178.632 178.632 177.565 1.067 25451 8338 1 17 . 1 1 25 25 TYR CA C 25 61.715 61.715 59.261 2.454 25451 8339 1 17 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.502 0.274 25451 8340 1 17 . 1 1 25 25 TYR H H 25 9.569 9.569 7.472 2.097 25451 8341 1 17 . 1 1 26 26 CYS N N 26 127.984 127.984 119.874 8.110 25451 8342 1 17 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.201 -0.182 25451 8343 1 17 . 1 1 26 26 CYS C C 26 176.642 176.642 176.680 -0.038 25451 8344 1 17 . 1 1 26 26 CYS CA C 26 64.559 64.559 62.355 2.204 25451 8345 1 17 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.325 1.913 25451 8346 1 17 . 1 1 26 26 CYS H H 26 9.239 9.239 7.829 1.410 25451 8347 1 17 . 1 1 27 27 VAL N N 27 121.054 121.054 120.795 0.259 25451 8348 1 17 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.703 -0.116 25451 8349 1 17 . 1 1 27 27 VAL C C 27 178.614 178.614 177.181 1.433 25451 8350 1 17 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.641 0.118 25451 8351 1 17 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.871 0.219 25451 8352 1 17 . 1 1 27 27 VAL H H 27 8.402 8.402 7.878 0.524 25451 8353 1 17 . 1 1 28 28 ARG N N 28 119.686 119.686 118.875 0.811 25451 8354 1 17 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.942 0.019 25451 8355 1 17 . 1 1 28 28 ARG C C 28 178.742 178.742 178.399 0.343 25451 8356 1 17 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.761 -0.155 25451 8357 1 17 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.891 0.731 25451 8358 1 17 . 1 1 28 28 ARG H H 28 7.655 7.655 8.110 -0.455 25451 8359 1 17 . 1 1 29 29 ALA N N 29 122.324 122.324 122.448 -0.124 25451 8360 1 17 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.007 0.004 25451 8361 1 17 . 1 1 29 29 ALA C C 29 178.906 178.906 179.320 -0.414 25451 8362 1 17 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.284 -0.172 25451 8363 1 17 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.354 0.253 25451 8364 1 17 . 1 1 29 29 ALA H H 29 8.175 8.175 8.503 -0.328 25451 8365 1 17 . 1 1 30 30 GLU N N 30 117.151 117.151 118.605 -1.454 25451 8366 1 17 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.961 -0.424 25451 8367 1 17 . 1 1 30 30 GLU C C 30 178.030 178.030 179.202 -1.172 25451 8368 1 17 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.682 0.933 25451 8369 1 17 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.590 -0.068 25451 8370 1 17 . 1 1 30 30 GLU H H 30 8.689 8.689 8.574 0.115 25451 8371 1 17 . 1 1 31 31 LYS N N 31 119.597 119.597 120.309 -0.712 25451 8372 1 17 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.121 -0.085 25451 8373 1 17 . 1 1 31 31 LYS C C 31 179.746 179.746 179.058 0.688 25451 8374 1 17 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.463 0.326 25451 8375 1 17 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.631 -0.083 25451 8376 1 17 . 1 1 31 31 LYS H H 31 8.359 8.359 8.082 0.277 25451 8377 1 17 . 1 1 32 32 LEU N N 32 121.147 121.147 121.213 -0.066 25451 8378 1 17 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.069 -0.017 25451 8379 1 17 . 1 1 32 32 LEU C C 32 179.198 179.198 178.873 0.325 25451 8380 1 17 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.828 0.677 25451 8381 1 17 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.302 0.877 25451 8382 1 17 . 1 1 32 32 LEU H H 32 7.610 7.610 7.913 -0.303 25451 8383 1 17 . 1 1 33 33 LEU N N 33 118.120 118.120 118.730 -0.610 25451 8384 1 17 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.719 0.043 25451 8385 1 17 . 1 1 33 33 LEU C C 33 179.234 179.234 178.922 0.312 25451 8386 1 17 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.492 -0.077 25451 8387 1 17 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.480 0.974 25451 8388 1 17 . 1 1 33 33 LEU H H 33 7.904 7.904 8.686 -0.782 25451 8389 1 17 . 1 1 34 34 HIS N N 34 117.939 117.939 117.362 0.577 25451 8390 1 17 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.399 0.234 25451 8391 1 17 . 1 1 34 34 HIS C C 34 176.879 176.879 178.104 -1.225 25451 8392 1 17 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.563 -0.141 25451 8393 1 17 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.771 0.301 25451 8394 1 17 . 1 1 34 34 HIS H H 34 8.876 8.876 8.035 0.841 25451 8395 1 17 . 1 1 35 35 ALA N N 35 118.133 118.133 122.238 -4.105 25451 8396 1 17 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.203 0.082 25451 8397 1 17 . 1 1 35 35 ALA C C 35 178.395 178.395 178.866 -0.471 25451 8398 1 17 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.537 -1.352 25451 8399 1 17 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.820 -0.305 25451 8400 1 17 . 1 1 35 35 ALA H H 35 7.229 7.229 8.201 -0.972 25451 8401 1 17 . 1 1 36 36 ARG N N 36 115.692 115.692 115.635 0.057 25451 8402 1 17 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.657 -0.215 25451 8403 1 17 . 1 1 36 36 ARG C C 36 175.693 175.693 175.083 0.610 25451 8404 1 17 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.450 0.295 25451 8405 1 17 . 1 1 36 36 ARG CB C 36 32.548 32.548 30.641 1.907 25451 8406 1 17 . 1 1 36 36 ARG H H 36 7.647 7.647 7.745 -0.098 25451 8407 1 17 . 1 1 37 37 THR N N 37 114.964 114.964 111.240 3.724 25451 8408 1 17 . 1 1 37 37 THR HA H 37 4.651 4.651 3.857 0.794 25451 8409 1 17 . 1 1 37 37 THR C C 37 170.636 170.636 173.703 -3.067 25451 8410 1 17 . 1 1 37 37 THR CA C 37 60.523 60.523 63.409 -2.886 25451 8411 1 17 . 1 1 37 37 THR CB C 37 68.870 68.870 66.438 2.432 25451 8412 1 17 . 1 1 37 37 THR H H 37 8.087 8.087 7.757 0.330 25451 8413 1 17 . 1 1 38 38 LYS N N 38 121.835 121.835 122.015 -0.180 25451 8414 1 17 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.084 0.583 25451 8415 1 17 . 1 1 38 38 LYS C C 38 178.139 178.139 175.717 2.422 25451 8416 1 17 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.972 -0.677 25451 8417 1 17 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.305 0.427 25451 8418 1 17 . 1 1 38 38 LYS H H 38 8.299 8.299 8.181 0.118 25451 8419 1 17 . 1 1 39 39 ASP N N 39 128.517 128.517 126.343 2.174 25451 8420 1 17 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.488 0.395 25451 8421 1 17 . 1 1 39 39 ASP C C 39 172.754 172.754 174.778 -2.024 25451 8422 1 17 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.830 -0.727 25451 8423 1 17 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.940 0.047 25451 8424 1 17 . 1 1 39 39 ASP H H 39 8.823 8.823 8.505 0.319 25451 8425 1 17 . 1 1 40 40 ILE N N 40 116.959 116.959 124.583 -7.624 25451 8426 1 17 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.766 0.507 25451 8427 1 17 . 1 1 40 40 ILE C C 40 174.470 174.470 174.514 -0.044 25451 8428 1 17 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.265 -2.227 25451 8429 1 17 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.316 0.405 25451 8430 1 17 . 1 1 40 40 ILE H H 40 7.273 7.273 7.593 -0.320 25451 8431 1 17 . 1 1 41 41 THR N N 41 125.545 125.545 124.873 0.672 25451 8432 1 17 . 1 1 41 41 THR HA H 41 4.260 4.260 4.657 -0.397 25451 8433 1 17 . 1 1 41 41 THR C C 41 171.476 171.476 172.226 -0.750 25451 8434 1 17 . 1 1 41 41 THR CA C 41 61.807 61.807 61.532 0.275 25451 8435 1 17 . 1 1 41 41 THR CB C 41 72.172 72.172 71.093 1.079 25451 8436 1 17 . 1 1 41 41 THR H H 41 8.564 8.564 8.624 -0.060 25451 8437 1 17 . 1 1 42 42 VAL N N 42 126.913 126.913 126.377 0.536 25451 8438 1 17 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.754 -0.511 25451 8439 1 17 . 1 1 42 42 VAL C C 42 174.086 174.086 174.310 -0.224 25451 8440 1 17 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.713 0.535 25451 8441 1 17 . 1 1 42 42 VAL CB C 42 32.824 32.824 34.244 -1.420 25451 8442 1 17 . 1 1 42 42 VAL H H 42 8.271 8.271 8.407 -0.136 25451 8443 1 17 . 1 1 43 43 HIS N N 43 127.392 127.392 128.552 -1.160 25451 8444 1 17 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.931 -0.364 25451 8445 1 17 . 1 1 43 43 HIS C C 43 174.543 174.543 174.171 0.372 25451 8446 1 17 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.374 -0.271 25451 8447 1 17 . 1 1 43 43 HIS CB C 43 31.815 31.815 31.826 -0.011 25451 8448 1 17 . 1 1 43 43 HIS H H 43 8.829 8.829 8.987 -0.158 25451 8449 1 17 . 1 1 44 44 TYR N N 44 126.221 126.221 126.858 -0.637 25451 8450 1 17 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.952 0.254 25451 8451 1 17 . 1 1 44 44 TYR C C 44 177.865 177.865 176.911 0.954 25451 8452 1 17 . 1 1 44 44 TYR CA C 44 57.313 57.313 58.151 -0.838 25451 8453 1 17 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.598 -1.748 25451 8454 1 17 . 1 1 44 44 TYR H H 44 8.938 8.938 9.389 -0.451 25451 8455 1 17 . 1 1 45 45 VAL N N 45 120.086 120.086 121.262 -1.176 25451 8456 1 17 . 1 1 45 45 VAL HA H 45 4.351 4.351 4.208 0.143 25451 8457 1 17 . 1 1 45 45 VAL C C 45 176.952 176.952 176.847 0.105 25451 8458 1 17 . 1 1 45 45 VAL CA C 45 63.917 63.917 63.688 0.229 25451 8459 1 17 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.687 -0.423 25451 8460 1 17 . 1 1 45 45 VAL H H 45 9.037 9.037 8.406 0.631 25451 8461 1 17 . 1 1 46 46 ASP N N 46 118.427 118.427 120.824 -2.397 25451 8462 1 17 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.677 -0.268 25451 8463 1 17 . 1 1 46 46 ASP C C 46 176.989 176.989 177.523 -0.534 25451 8464 1 17 . 1 1 46 46 ASP CA C 46 54.745 54.745 55.547 -0.802 25451 8465 1 17 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.865 -4.006 25451 8466 1 17 . 1 1 46 46 ASP H H 46 10.711 10.711 8.521 2.190 25451 8467 1 17 . 1 1 47 47 LYS N N 47 119.396 119.396 118.296 1.100 25451 8468 1 17 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.261 0.281 25451 8469 1 17 . 1 1 47 47 LYS C C 47 176.350 176.350 177.020 -0.670 25451 8470 1 17 . 1 1 47 47 LYS CA C 47 55.020 55.020 57.386 -2.366 25451 8471 1 17 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.279 -0.639 25451 8472 1 17 . 1 1 47 47 LYS H H 47 7.801 7.801 8.216 -0.415 25451 8473 1 17 . 1 1 48 48 MET N N 48 118.957 118.957 116.821 2.136 25451 8474 1 17 . 1 1 48 48 MET C C 48 177.500 177.500 176.923 0.577 25451 8475 1 17 . 1 1 48 48 MET CA C 48 54.928 54.928 53.766 1.162 25451 8476 1 17 . 1 1 48 48 MET CB C 48 36.492 36.492 34.894 1.598 25451 8477 1 17 . 1 1 48 48 MET H H 48 7.331 7.331 7.807 -0.476 25451 8478 1 17 . 1 1 49 49 SER HA H 49 4.260 4.260 4.125 0.135 25451 8479 1 17 . 1 1 49 49 SER C C 49 176.898 176.898 176.486 0.412 25451 8480 1 17 . 1 1 49 49 SER CA C 49 61.899 61.899 61.727 0.172 25451 8481 1 17 . 1 1 50 50 GLU N N 50 121.350 121.350 121.208 0.142 25451 8482 1 17 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.181 0.569 25451 8483 1 17 . 1 1 50 50 GLU C C 50 176.971 176.971 178.630 -1.659 25451 8484 1 17 . 1 1 50 50 GLU CA C 50 56.487 56.487 58.213 -1.726 25451 8485 1 17 . 1 1 50 50 GLU CB C 50 28.238 28.238 28.973 -0.735 25451 8486 1 17 . 1 1 50 50 GLU H H 50 10.024 10.024 8.751 1.273 25451 8487 1 17 . 1 1 51 51 GLY N N 51 109.546 109.546 107.619 1.927 25451 8488 1 17 . 1 1 51 51 GLY C C 51 175.602 175.602 175.809 -0.207 25451 8489 1 17 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.260 1.615 25451 8490 1 17 . 1 1 51 51 GLY H H 51 8.124 8.124 8.147 -0.023 25451 8491 1 17 . 1 1 52 52 GLU N N 52 120.614 120.614 121.764 -1.150 25451 8492 1 17 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.065 0.137 25451 8493 1 17 . 1 1 52 52 GLU C C 52 180.056 180.056 178.432 1.624 25451 8494 1 17 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.069 0.353 25451 8495 1 17 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.172 -0.201 25451 8496 1 17 . 1 1 52 52 GLU H H 52 8.821 8.821 7.933 0.888 25451 8497 1 17 . 1 1 53 53 GLN N N 53 123.591 123.591 119.742 3.849 25451 8498 1 17 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.086 0.058 25451 8499 1 17 . 1 1 53 53 GLN C C 53 179.600 179.600 178.258 1.342 25451 8500 1 17 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.627 0.429 25451 8501 1 17 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.642 -0.955 25451 8502 1 17 . 1 1 53 53 GLN H H 53 8.117 8.117 7.595 0.522 25451 8503 1 17 . 1 1 54 54 LEU N N 54 120.960 120.960 120.010 0.950 25451 8504 1 17 . 1 1 54 54 LEU HA H 54 4.011 4.011 3.935 0.076 25451 8505 1 17 . 1 1 54 54 LEU C C 54 179.417 179.417 178.832 0.585 25451 8506 1 17 . 1 1 54 54 LEU CA C 54 57.863 57.863 57.205 0.658 25451 8507 1 17 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.963 -0.527 25451 8508 1 17 . 1 1 54 54 LEU H H 54 8.249 8.249 8.081 0.168 25451 8509 1 17 . 1 1 55 55 ARG N N 55 118.038 118.038 119.442 -1.404 25451 8510 1 17 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.905 -0.110 25451 8511 1 17 . 1 1 55 55 ARG C C 55 180.439 180.439 178.548 1.891 25451 8512 1 17 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.487 1.128 25451 8513 1 17 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.530 -0.009 25451 8514 1 17 . 1 1 55 55 ARG H H 55 8.402 8.402 8.504 -0.102 25451 8515 1 17 . 1 1 56 56 GLY N N 56 110.675 110.675 107.804 2.871 25451 8516 1 17 . 1 1 56 56 GLY C C 56 176.350 176.350 175.969 0.381 25451 8517 1 17 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.005 0.218 25451 8518 1 17 . 1 1 56 56 GLY H H 56 8.376 8.376 8.467 -0.091 25451 8519 1 17 . 1 1 57 57 GLU N N 57 124.469 124.469 121.253 3.216 25451 8520 1 17 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.069 0.008 25451 8521 1 17 . 1 1 57 57 GLU C C 57 180.184 180.184 179.095 1.089 25451 8522 1 17 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.781 0.825 25451 8523 1 17 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.075 0.905 25451 8524 1 17 . 1 1 57 57 GLU H H 57 8.146 8.146 7.747 0.399 25451 8525 1 17 . 1 1 58 58 ILE N N 58 121.352 121.352 120.056 1.296 25451 8526 1 17 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.831 -0.144 25451 8527 1 17 . 1 1 58 58 ILE C C 58 178.030 178.030 177.766 0.264 25451 8528 1 17 . 1 1 58 58 ILE CA C 58 65.568 65.568 64.819 0.749 25451 8529 1 17 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.687 0.640 25451 8530 1 17 . 1 1 58 58 ILE H H 58 8.201 8.201 7.049 1.152 25451 8531 1 17 . 1 1 59 59 TYR N N 59 121.934 121.934 121.072 0.862 25451 8532 1 17 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.232 -0.097 25451 8533 1 17 . 1 1 59 59 TYR C C 59 178.322 178.322 178.486 -0.164 25451 8534 1 17 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.821 0.170 25451 8535 1 17 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.723 -0.763 25451 8536 1 17 . 1 1 59 59 TYR H H 59 8.256 8.256 8.371 -0.115 25451 8537 1 17 . 1 1 60 60 GLN N N 60 119.694 119.694 118.262 1.432 25451 8538 1 17 . 1 1 60 60 GLN HA H 60 3.679 3.679 3.941 -0.262 25451 8539 1 17 . 1 1 60 60 GLN C C 60 177.336 177.336 177.477 -0.141 25451 8540 1 17 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.764 0.016 25451 8541 1 17 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.547 -0.034 25451 8542 1 17 . 1 1 60 60 GLN H H 60 8.512 8.512 8.278 0.234 25451 8543 1 17 . 1 1 61 61 ALA N N 61 117.444 117.444 119.861 -2.417 25451 8544 1 17 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.947 0.022 25451 8545 1 17 . 1 1 61 61 ALA C C 61 179.180 179.180 177.955 1.225 25451 8546 1 17 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.500 0.236 25451 8547 1 17 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.475 0.682 25451 8548 1 17 . 1 1 61 61 ALA H H 61 7.749 7.749 7.472 0.277 25451 8549 1 17 . 1 1 62 62 TYR N N 62 113.265 113.265 115.034 -1.769 25451 8550 1 17 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.504 0.021 25451 8551 1 17 . 1 1 62 62 TYR C C 62 175.036 175.036 174.947 0.089 25451 8552 1 17 . 1 1 62 62 TYR CA C 62 57.313 57.313 57.430 -0.117 25451 8553 1 17 . 1 1 62 62 TYR CB C 62 38.969 38.969 39.237 -0.268 25451 8554 1 17 . 1 1 62 62 TYR H H 62 7.801 7.801 8.035 -0.234 25451 8555 1 17 . 1 1 63 63 LYS N N 63 117.584 117.584 115.616 1.968 25451 8556 1 17 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.722 0.782 25451 8557 1 17 . 1 1 63 63 LYS C C 63 173.812 173.812 173.553 0.259 25451 8558 1 17 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.981 -0.310 25451 8559 1 17 . 1 1 63 63 LYS CB C 63 28.513 28.513 28.997 -0.484 25451 8560 1 17 . 1 1 63 63 LYS H H 63 8.098 8.098 7.598 0.500 25451 8561 1 17 . 1 1 64 64 HIS N N 64 118.618 118.618 114.933 3.685 25451 8562 1 17 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.761 0.196 25451 8563 1 17 . 1 1 64 64 HIS C C 64 175.985 175.985 174.059 1.926 25451 8564 1 17 . 1 1 64 64 HIS CA C 64 55.754 55.754 55.170 0.584 25451 8565 1 17 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.465 1.468 25451 8566 1 17 . 1 1 64 64 HIS H H 64 6.524 6.524 7.149 -0.625 25451 8567 1 17 . 1 1 65 65 GLU N N 65 126.723 126.723 120.100 6.623 25451 8568 1 17 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.574 -0.181 25451 8569 1 17 . 1 1 65 65 GLU C C 65 175.346 175.346 175.485 -0.139 25451 8570 1 17 . 1 1 65 65 GLU CA C 65 56.946 56.946 56.786 0.160 25451 8571 1 17 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.543 0.730 25451 8572 1 17 . 1 1 65 65 GLU H H 65 9.188 9.188 8.592 0.596 25451 8573 1 17 . 1 1 66 66 THR N N 66 108.043 108.043 107.400 0.643 25451 8574 1 17 . 1 1 66 66 THR HA H 66 4.393 4.393 4.528 -0.135 25451 8575 1 17 . 1 1 66 66 THR C C 66 174.579 174.579 173.229 1.350 25451 8576 1 17 . 1 1 66 66 THR CA C 66 59.698 59.698 60.245 -0.547 25451 8577 1 17 . 1 1 66 66 THR CB C 66 71.071 71.071 71.231 -0.160 25451 8578 1 17 . 1 1 66 66 THR H H 66 6.296 6.296 7.409 -1.113 25451 8579 1 17 . 1 1 67 67 VAL N N 67 112.473 112.473 117.801 -5.328 25451 8580 1 17 . 1 1 67 67 VAL C C 67 173.027 173.027 174.254 -1.227 25451 8581 1 17 . 1 1 67 67 VAL CA C 67 58.047 58.047 61.976 -3.929 25451 8582 1 17 . 1 1 67 67 VAL CB C 67 32.182 32.182 32.083 0.099 25451 8583 1 17 . 1 1 67 67 VAL H H 67 7.688 7.688 8.805 -1.117 25451 8584 1 17 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.504 0.926 25451 8585 1 17 . 1 1 68 68 PRO C C 68 176.405 176.405 175.520 0.885 25451 8586 1 17 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.918 -1.111 25451 8587 1 17 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.276 2.565 25451 8588 1 17 . 1 1 69 69 ALA N N 69 124.309 124.309 121.999 2.310 25451 8589 1 17 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.766 0.042 25451 8590 1 17 . 1 1 69 69 ALA C C 69 175.273 175.273 176.576 -1.303 25451 8591 1 17 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.288 0.063 25451 8592 1 17 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.679 1.046 25451 8593 1 17 . 1 1 69 69 ALA H H 69 8.952 8.952 8.427 0.525 25451 8594 1 17 . 1 1 70 70 ILE N N 70 124.569 124.569 123.118 1.451 25451 8595 1 17 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.778 -0.228 25451 8596 1 17 . 1 1 70 70 ILE C C 70 172.553 172.553 174.220 -1.667 25451 8597 1 17 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.438 1.644 25451 8598 1 17 . 1 1 70 70 ILE CB C 70 40.069 40.069 40.983 -0.914 25451 8599 1 17 . 1 1 70 70 ILE H H 70 8.447 8.447 8.195 0.252 25451 8600 1 17 . 1 1 71 71 PHE N N 71 127.490 127.490 125.261 2.229 25451 8601 1 17 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.680 -0.457 25451 8602 1 17 . 1 1 71 71 PHE C C 71 174.798 174.798 174.891 -0.093 25451 8603 1 17 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.088 0.033 25451 8604 1 17 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.080 -0.993 25451 8605 1 17 . 1 1 71 71 PHE H H 71 9.219 9.219 9.352 -0.133 25451 8606 1 17 . 1 1 72 72 ILE N N 72 118.614 118.614 122.384 -3.770 25451 8607 1 17 . 1 1 72 72 ILE HA H 72 5.107 5.107 4.868 0.239 25451 8608 1 17 . 1 1 72 72 ILE C C 72 177.518 177.518 175.842 1.676 25451 8609 1 17 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.629 -0.106 25451 8610 1 17 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.888 0.099 25451 8611 1 17 . 1 1 72 72 ILE H H 72 8.715 8.715 9.283 -0.568 25451 8612 1 17 . 1 1 73 73 ASN N N 73 129.431 129.431 126.839 2.592 25451 8613 1 17 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.412 0.255 25451 8614 1 17 . 1 1 73 73 ASN C C 73 175.273 175.273 175.865 -0.592 25451 8615 1 17 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.468 0.093 25451 8616 1 17 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.739 0.579 25451 8617 1 17 . 1 1 73 73 ASN H H 73 10.691 10.691 9.253 1.438 25451 8618 1 17 . 1 1 74 74 GLY N N 74 104.235 104.235 103.494 0.741 25451 8619 1 17 . 1 1 74 74 GLY C C 74 172.754 172.754 174.046 -1.292 25451 8620 1 17 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.551 -0.529 25451 8621 1 17 . 1 1 74 74 GLY H H 74 9.529 9.529 8.962 0.567 25451 8622 1 17 . 1 1 75 75 ASN N N 75 119.009 119.009 119.611 -0.602 25451 8623 1 17 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.051 0.047 25451 8624 1 17 . 1 1 75 75 ASN C C 75 174.269 174.269 173.722 0.547 25451 8625 1 17 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.578 -0.952 25451 8626 1 17 . 1 1 75 75 ASN CB C 75 39.978 39.978 40.506 -0.528 25451 8627 1 17 . 1 1 75 75 ASN H H 75 8.116 8.116 8.116 0.000 25451 8628 1 17 . 1 1 76 76 PHE N N 76 124.901 124.901 123.233 1.668 25451 8629 1 17 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.621 -0.967 25451 8630 1 17 . 1 1 76 76 PHE C C 76 175.273 175.273 174.776 0.497 25451 8631 1 17 . 1 1 76 76 PHE CA C 76 57.863 57.863 57.035 0.828 25451 8632 1 17 . 1 1 76 76 PHE CB C 76 38.877 38.877 39.775 -0.898 25451 8633 1 17 . 1 1 76 76 PHE H H 76 9.004 9.004 8.599 0.405 25451 8634 1 17 . 1 1 77 77 ILE N N 77 126.459 126.459 126.350 0.109 25451 8635 1 17 . 1 1 77 77 ILE C C 77 174.506 174.506 173.289 1.217 25451 8636 1 17 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.732 -1.227 25451 8637 1 17 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.386 -3.976 25451 8638 1 17 . 1 1 77 77 ILE H H 77 8.161 8.161 8.274 -0.113 25451 8639 1 17 . 1 1 78 78 GLY C C 78 172.005 172.005 173.156 -1.151 25451 8640 1 17 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.593 -0.038 25451 8641 1 17 . 1 1 79 79 GLY N N 79 109.745 109.745 112.980 -3.235 25451 8642 1 17 . 1 1 79 79 GLY C C 79 174.981 174.981 174.806 0.175 25451 8643 1 17 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.234 -0.771 25451 8644 1 17 . 1 1 79 79 GLY H H 79 9.114 9.114 7.773 1.341 25451 8645 1 17 . 1 1 80 80 CYS N N 80 120.764 120.764 121.531 -0.767 25451 8646 1 17 . 1 1 80 80 CYS C C 80 176.533 176.533 176.532 0.001 25451 8647 1 17 . 1 1 80 80 CYS CA C 80 63.825 63.825 63.004 0.821 25451 8648 1 17 . 1 1 80 80 CYS CB C 80 26.770 26.770 27.448 -0.678 25451 8649 1 17 . 1 1 80 80 CYS H H 80 8.571 8.571 8.822 -0.251 25451 8650 1 17 . 1 1 81 81 SER HA H 81 3.903 3.903 4.145 -0.242 25451 8651 1 17 . 1 1 81 81 SER C C 81 177.318 177.318 175.934 1.384 25451 8652 1 17 . 1 1 81 81 SER CA C 81 61.440 61.440 61.534 -0.094 25451 8653 1 17 . 1 1 82 82 ASP N N 82 122.226 122.226 122.204 0.022 25451 8654 1 17 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.407 -0.056 25451 8655 1 17 . 1 1 82 82 ASP C C 82 177.993 177.993 178.008 -0.015 25451 8656 1 17 . 1 1 82 82 ASP CA C 82 57.129 57.129 56.528 0.601 25451 8657 1 17 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.585 0.952 25451 8658 1 17 . 1 1 82 82 ASP H H 82 7.060 7.060 7.268 -0.208 25451 8659 1 17 . 1 1 83 83 LEU N N 83 121.542 121.542 120.927 0.615 25451 8660 1 17 . 1 1 83 83 LEU HA H 83 3.787 3.787 4.004 -0.217 25451 8661 1 17 . 1 1 83 83 LEU C C 83 177.957 177.957 178.311 -0.354 25451 8662 1 17 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.890 -0.027 25451 8663 1 17 . 1 1 83 83 LEU CB C 83 42.087 42.087 41.981 0.106 25451 8664 1 17 . 1 1 83 83 LEU H H 83 7.793 7.793 7.859 -0.066 25451 8665 1 17 . 1 1 84 84 GLU N N 84 117.702 117.702 118.760 -1.058 25451 8666 1 17 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.878 -0.058 25451 8667 1 17 . 1 1 84 84 GLU C C 84 179.161 179.161 178.732 0.429 25451 8668 1 17 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.355 0.343 25451 8669 1 17 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.312 0.210 25451 8670 1 17 . 1 1 84 84 GLU H H 84 8.432 8.432 8.470 -0.038 25451 8671 1 17 . 1 1 85 85 ALA N N 85 122.903 122.903 122.048 0.855 25451 8672 1 17 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.056 0.121 25451 8673 1 17 . 1 1 85 85 ALA C C 85 179.892 179.892 179.543 0.349 25451 8674 1 17 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.179 0.116 25451 8675 1 17 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.128 -0.347 25451 8676 1 17 . 1 1 85 85 ALA H H 85 7.890 7.890 8.015 -0.125 25451 8677 1 17 . 1 1 86 86 LEU N N 86 118.087 118.087 118.057 0.030 25451 8678 1 17 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.959 0.060 25451 8679 1 17 . 1 1 86 86 LEU C C 86 179.764 179.764 178.902 0.862 25451 8680 1 17 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.369 0.311 25451 8681 1 17 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.404 1.417 25451 8682 1 17 . 1 1 86 86 LEU H H 86 7.567 7.567 7.494 0.073 25451 8683 1 17 . 1 1 87 87 ASP N N 87 119.239 119.239 120.475 -1.236 25451 8684 1 17 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.372 0.129 25451 8685 1 17 . 1 1 87 87 ASP C C 87 179.563 179.563 178.796 0.767 25451 8686 1 17 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.664 -0.810 25451 8687 1 17 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.933 1.063 25451 8688 1 17 . 1 1 87 87 ASP H H 87 7.985 7.985 7.603 0.382 25451 8689 1 17 . 1 1 88 88 LYS N N 88 121.741 121.741 119.310 2.431 25451 8690 1 17 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.127 -0.091 25451 8691 1 17 . 1 1 88 88 LYS C C 88 178.778 178.778 179.032 -0.254 25451 8692 1 17 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.079 1.068 25451 8693 1 17 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.513 -0.331 25451 8694 1 17 . 1 1 88 88 LYS H H 88 8.461 8.461 8.286 0.175 25451 8695 1 17 . 1 1 89 89 GLU N N 89 115.496 115.496 117.354 -1.858 25451 8696 1 17 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.255 0.055 25451 8697 1 17 . 1 1 89 89 GLU C C 89 176.806 176.806 177.480 -0.674 25451 8698 1 17 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.762 -0.550 25451 8699 1 17 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.947 0.400 25451 8700 1 17 . 1 1 89 89 GLU H H 89 7.838 7.838 7.800 0.038 25451 8701 1 17 . 1 1 90 90 GLY N N 90 108.622 108.622 107.419 1.203 25451 8702 1 17 . 1 1 90 90 GLY C C 90 175.985 175.985 175.207 0.778 25451 8703 1 17 . 1 1 90 90 GLY CA C 90 46.215 46.215 45.674 0.541 25451 8704 1 17 . 1 1 90 90 GLY H H 90 7.992 7.992 7.984 0.008 25451 8705 1 17 . 1 1 91 91 LYS N N 91 117.355 117.355 120.136 -2.781 25451 8706 1 17 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.303 0.023 25451 8707 1 17 . 1 1 91 91 LYS C C 91 177.518 177.518 177.580 -0.062 25451 8708 1 17 . 1 1 91 91 LYS CA C 91 56.487 56.487 57.087 -0.600 25451 8709 1 17 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.532 2.585 25451 8710 1 17 . 1 1 91 91 LYS H H 91 8.047 8.047 7.543 0.504 25451 8711 1 17 . 1 1 92 92 LEU N N 92 121.641 121.641 121.230 0.411 25451 8712 1 17 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.030 -0.077 25451 8713 1 17 . 1 1 92 92 LEU C C 92 177.518 177.518 177.518 0.000 25451 8714 1 17 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.688 -0.192 25451 8715 1 17 . 1 1 92 92 LEU CB C 92 41.170 41.170 41.748 -0.578 25451 8716 1 17 . 1 1 92 92 LEU H H 92 7.582 7.582 7.817 -0.235 25451 8717 1 17 . 1 1 93 93 ASP N N 93 118.032 118.032 118.908 -0.876 25451 8718 1 17 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.336 -0.118 25451 8719 1 17 . 1 1 93 93 ASP C C 93 179.344 179.344 178.499 0.845 25451 8720 1 17 . 1 1 93 93 ASP CA C 93 57.955 57.955 57.567 0.388 25451 8721 1 17 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.272 -0.386 25451 8722 1 17 . 1 1 93 93 ASP H H 93 8.194 8.194 8.722 -0.528 25451 8723 1 17 . 1 1 94 94 GLY N N 94 107.012 107.012 107.393 -0.381 25451 8724 1 17 . 1 1 94 94 GLY C C 94 176.368 176.368 175.374 0.994 25451 8725 1 17 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.359 0.039 25451 8726 1 17 . 1 1 94 94 GLY H H 94 8.271 8.271 7.374 0.897 25451 8727 1 17 . 1 1 95 95 LEU N N 95 120.472 120.472 119.841 0.631 25451 8728 1 17 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.172 0.080 25451 8729 1 17 . 1 1 95 95 LEU C C 95 178.285 178.285 178.469 -0.184 25451 8730 1 17 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.464 0.023 25451 8731 1 17 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.239 0.490 25451 8732 1 17 . 1 1 95 95 LEU H H 95 7.475 7.475 7.386 0.089 25451 8733 1 17 . 1 1 96 96 LEU N N 96 116.181 116.181 115.819 0.362 25451 8734 1 17 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.335 -0.075 25451 8735 1 17 . 1 1 96 96 LEU C C 96 176.186 176.186 176.513 -0.327 25451 8736 1 17 . 1 1 96 96 LEU CA C 96 54.561 54.561 54.597 -0.036 25451 8737 1 17 . 1 1 96 96 LEU CB C 96 42.271 42.271 42.904 -0.633 25451 8738 1 17 . 1 1 96 96 LEU H H 96 7.394 7.394 7.637 -0.243 25451 8739 1 18 . 1 1 5 5 SER HA H 5 4.492 4.492 4.692 -0.200 25451 8740 1 18 . 1 1 5 5 SER C C 5 176.496 176.496 175.471 1.025 25451 8741 1 18 . 1 1 5 5 SER CA C 5 59.422 59.422 56.519 2.903 25451 8742 1 18 . 1 1 5 5 SER CB C 5 64.100 64.100 65.021 -0.921 25451 8743 1 18 . 1 1 6 6 ILE N N 6 120.626 120.626 119.430 1.196 25451 8744 1 18 . 1 1 6 6 ILE HA H 6 3.811 3.811 4.044 -0.233 25451 8745 1 18 . 1 1 6 6 ILE C C 6 176.952 176.952 177.307 -0.355 25451 8746 1 18 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.373 0.727 25451 8747 1 18 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.720 -0.310 25451 8748 1 18 . 1 1 6 6 ILE H H 6 9.168 9.168 8.601 0.567 25451 8749 1 18 . 1 1 7 7 ALA N N 7 122.320 122.320 122.965 -0.645 25451 8750 1 18 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.873 0.021 25451 8751 1 18 . 1 1 7 7 ALA C C 7 179.837 179.837 179.495 0.342 25451 8752 1 18 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.920 0.283 25451 8753 1 18 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.978 0.170 25451 8754 1 18 . 1 1 7 7 ALA H H 7 7.882 7.882 7.795 0.087 25451 8755 1 18 . 1 1 8 8 SER N N 8 110.329 110.329 114.148 -3.819 25451 8756 1 18 . 1 1 8 8 SER HA H 8 4.227 4.227 4.158 0.069 25451 8757 1 18 . 1 1 8 8 SER C C 8 177.409 177.409 176.982 0.427 25451 8758 1 18 . 1 1 8 8 SER CA C 8 60.156 60.156 60.861 -0.705 25451 8759 1 18 . 1 1 8 8 SER CB C 8 62.908 62.908 63.083 -0.175 25451 8760 1 18 . 1 1 8 8 SER H H 8 7.647 7.647 7.691 -0.044 25451 8761 1 18 . 1 1 9 9 MET N N 9 122.133 122.133 121.385 0.748 25451 8762 1 18 . 1 1 9 9 MET HA H 9 4.127 4.127 4.170 -0.043 25451 8763 1 18 . 1 1 9 9 MET C C 9 180.841 180.841 178.369 2.472 25451 8764 1 18 . 1 1 9 9 MET CA C 9 59.147 59.147 58.729 0.418 25451 8765 1 18 . 1 1 9 9 MET CB C 9 35.025 35.025 32.655 2.370 25451 8766 1 18 . 1 1 9 9 MET H H 9 7.787 7.787 7.942 -0.155 25451 8767 1 18 . 1 1 10 10 ILE N N 10 115.009 115.009 117.503 -2.494 25451 8768 1 18 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.761 0.001 25451 8769 1 18 . 1 1 10 10 ILE C C 10 174.981 174.981 177.310 -2.329 25451 8770 1 18 . 1 1 10 10 ILE CA C 10 65.293 65.293 63.937 1.356 25451 8771 1 18 . 1 1 10 10 ILE CB C 10 37.776 37.776 36.721 1.055 25451 8772 1 18 . 1 1 10 10 ILE H H 10 8.315 8.315 7.667 0.648 25451 8773 1 18 . 1 1 11 11 LYS N N 11 117.153 117.153 118.475 -1.322 25451 8774 1 18 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.288 0.221 25451 8775 1 18 . 1 1 11 11 LYS C C 11 177.774 177.774 177.886 -0.112 25451 8776 1 18 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.314 -1.835 25451 8777 1 18 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.127 0.145 25451 8778 1 18 . 1 1 11 11 LYS H H 11 6.877 6.877 7.506 -0.629 25451 8779 1 18 . 1 1 12 12 GLY N N 12 106.134 106.134 107.958 -1.824 25451 8780 1 18 . 1 1 12 12 GLY C C 12 172.553 172.553 174.482 -1.929 25451 8781 1 18 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.543 0.763 25451 8782 1 18 . 1 1 12 12 GLY H H 12 7.757 7.757 8.184 -0.427 25451 8783 1 18 . 1 1 13 13 ASN N N 13 115.402 115.402 115.657 -0.255 25451 8784 1 18 . 1 1 13 13 ASN HA H 13 4.592 4.592 5.040 -0.448 25451 8785 1 18 . 1 1 13 13 ASN C C 13 174.068 174.068 174.208 -0.140 25451 8786 1 18 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.254 -2.095 25451 8787 1 18 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.827 -0.932 25451 8788 1 18 . 1 1 13 13 ASN H H 13 7.214 7.214 7.370 -0.156 25451 8789 1 18 . 1 1 14 14 LYS N N 14 122.033 122.033 120.684 1.349 25451 8790 1 18 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.168 -0.099 25451 8791 1 18 . 1 1 14 14 LYS C C 14 176.533 176.533 176.319 0.214 25451 8792 1 18 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.455 1.518 25451 8793 1 18 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.547 -2.007 25451 8794 1 18 . 1 1 14 14 LYS H H 14 8.351 8.351 8.627 -0.276 25451 8795 1 18 . 1 1 15 15 VAL N N 15 117.450 117.450 116.122 1.328 25451 8796 1 18 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.163 -0.139 25451 8797 1 18 . 1 1 15 15 VAL C C 15 174.543 174.543 174.460 0.083 25451 8798 1 18 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.413 -0.073 25451 8799 1 18 . 1 1 15 15 VAL CB C 15 32.732 32.732 35.296 -2.564 25451 8800 1 18 . 1 1 15 15 VAL H H 15 8.021 8.021 8.278 -0.257 25451 8801 1 18 . 1 1 16 16 VAL N N 16 128.604 128.604 126.113 2.491 25451 8802 1 18 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.146 -0.255 25451 8803 1 18 . 1 1 16 16 VAL C C 16 173.922 173.922 174.391 -0.469 25451 8804 1 18 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.063 1.286 25451 8805 1 18 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.460 -0.252 25451 8806 1 18 . 1 1 16 16 VAL H H 16 8.909 8.909 8.995 -0.086 25451 8807 1 18 . 1 1 17 17 VAL N N 17 126.814 126.814 125.368 1.446 25451 8808 1 18 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.028 -0.013 25451 8809 1 18 . 1 1 17 17 VAL C C 17 173.593 173.593 174.321 -0.728 25451 8810 1 18 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.895 -1.014 25451 8811 1 18 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.623 -0.140 25451 8812 1 18 . 1 1 17 17 VAL H H 17 8.359 8.359 8.870 -0.511 25451 8813 1 18 . 1 1 18 18 PHE N N 18 125.697 125.697 126.042 -0.345 25451 8814 1 18 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.525 -0.111 25451 8815 1 18 . 1 1 18 18 PHE C C 18 175.364 175.364 175.345 0.019 25451 8816 1 18 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.309 0.821 25451 8817 1 18 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.865 -2.529 25451 8818 1 18 . 1 1 18 18 PHE H H 18 9.015 9.015 9.412 -0.397 25451 8819 1 18 . 1 1 19 19 SER N N 19 120.570 120.570 116.013 4.557 25451 8820 1 18 . 1 1 19 19 SER HA H 19 5.215 5.215 4.943 0.272 25451 8821 1 18 . 1 1 19 19 SER C C 19 173.539 173.539 172.596 0.943 25451 8822 1 18 . 1 1 19 19 SER CA C 19 57.863 57.863 57.049 0.814 25451 8823 1 18 . 1 1 19 19 SER CB C 19 69.512 69.512 66.180 3.332 25451 8824 1 18 . 1 1 19 19 SER H H 19 9.137 9.137 8.955 0.182 25451 8825 1 18 . 1 1 20 20 TRP N N 20 122.520 122.520 120.777 1.743 25451 8826 1 18 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.037 0.908 25451 8827 1 18 . 1 1 20 20 TRP C C 20 178.030 178.030 175.412 2.618 25451 8828 1 18 . 1 1 20 20 TRP CA C 20 54.011 54.011 56.974 -2.963 25451 8829 1 18 . 1 1 20 20 TRP CB C 20 33.190 33.190 32.387 0.803 25451 8830 1 18 . 1 1 20 20 TRP H H 20 8.520 8.520 8.718 -0.198 25451 8831 1 18 . 1 1 21 21 VAL N N 21 124.864 124.864 126.195 -1.331 25451 8832 1 18 . 1 1 21 21 VAL C C 21 177.208 177.208 176.480 0.728 25451 8833 1 18 . 1 1 21 21 VAL CA C 21 65.384 65.384 63.117 2.267 25451 8834 1 18 . 1 1 21 21 VAL CB C 21 32.273 32.273 31.407 0.866 25451 8835 1 18 . 1 1 21 21 VAL H H 21 9.956 9.956 8.376 1.580 25451 8836 1 18 . 1 1 22 22 THR HA H 22 4.542 4.542 4.666 -0.124 25451 8837 1 18 . 1 1 22 22 THR C C 22 174.269 174.269 173.771 0.498 25451 8838 1 18 . 1 1 22 22 THR CA C 22 60.982 60.982 61.636 -0.654 25451 8839 1 18 . 1 1 22 22 THR CB C 22 69.237 69.237 69.872 -0.635 25451 8840 1 18 . 1 1 23 23 CYS N N 23 127.689 127.689 126.522 1.167 25451 8841 1 18 . 1 1 23 23 CYS C C 23 175.054 175.054 174.044 1.010 25451 8842 1 18 . 1 1 23 23 CYS CA C 23 56.396 56.396 56.900 -0.504 25451 8843 1 18 . 1 1 23 23 CYS CB C 23 32.273 32.273 29.411 2.862 25451 8844 1 18 . 1 1 23 23 CYS H H 23 7.013 7.013 8.743 -1.730 25451 8845 1 18 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.206 0.095 25451 8846 1 18 . 1 1 24 24 PRO C C 24 180.202 180.202 177.066 3.136 25451 8847 1 18 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.656 -0.189 25451 8848 1 18 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.628 0.553 25451 8849 1 18 . 1 1 25 25 TYR N N 25 126.810 126.810 117.096 9.714 25451 8850 1 18 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.469 -0.159 25451 8851 1 18 . 1 1 25 25 TYR C C 25 178.632 178.632 177.947 0.685 25451 8852 1 18 . 1 1 25 25 TYR CA C 25 61.715 61.715 60.338 1.377 25451 8853 1 18 . 1 1 25 25 TYR CB C 25 37.776 37.776 38.052 -0.276 25451 8854 1 18 . 1 1 25 25 TYR H H 25 9.569 9.569 8.011 1.558 25451 8855 1 18 . 1 1 26 26 CYS N N 26 127.984 127.984 120.184 7.800 25451 8856 1 18 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.167 -0.148 25451 8857 1 18 . 1 1 26 26 CYS C C 26 176.642 176.642 176.682 -0.040 25451 8858 1 18 . 1 1 26 26 CYS CA C 26 64.559 64.559 62.577 1.982 25451 8859 1 18 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.309 1.929 25451 8860 1 18 . 1 1 26 26 CYS H H 26 9.239 9.239 8.287 0.952 25451 8861 1 18 . 1 1 27 27 VAL N N 27 121.054 121.054 120.881 0.173 25451 8862 1 18 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.636 -0.049 25451 8863 1 18 . 1 1 27 27 VAL C C 27 178.614 178.614 177.001 1.613 25451 8864 1 18 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.830 -0.070 25451 8865 1 18 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.939 0.151 25451 8866 1 18 . 1 1 27 27 VAL H H 27 8.402 8.402 7.683 0.719 25451 8867 1 18 . 1 1 28 28 ARG N N 28 119.686 119.686 118.874 0.812 25451 8868 1 18 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.957 0.004 25451 8869 1 18 . 1 1 28 28 ARG C C 28 178.742 178.742 178.486 0.256 25451 8870 1 18 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.591 0.015 25451 8871 1 18 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.810 0.812 25451 8872 1 18 . 1 1 28 28 ARG H H 28 7.655 7.655 8.239 -0.584 25451 8873 1 18 . 1 1 29 29 ALA N N 29 122.324 122.324 122.873 -0.549 25451 8874 1 18 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.045 -0.034 25451 8875 1 18 . 1 1 29 29 ALA C C 29 178.906 178.906 179.221 -0.315 25451 8876 1 18 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.176 -0.064 25451 8877 1 18 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.405 0.202 25451 8878 1 18 . 1 1 29 29 ALA H H 29 8.175 8.175 8.220 -0.045 25451 8879 1 18 . 1 1 30 30 GLU N N 30 117.151 117.151 118.468 -1.317 25451 8880 1 18 . 1 1 30 30 GLU HA H 30 3.537 3.537 4.013 -0.476 25451 8881 1 18 . 1 1 30 30 GLU C C 30 178.030 178.030 179.252 -1.222 25451 8882 1 18 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.320 1.295 25451 8883 1 18 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.493 0.029 25451 8884 1 18 . 1 1 30 30 GLU H H 30 8.689 8.689 8.583 0.106 25451 8885 1 18 . 1 1 31 31 LYS N N 31 119.597 119.597 120.248 -0.651 25451 8886 1 18 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.033 0.003 25451 8887 1 18 . 1 1 31 31 LYS C C 31 179.746 179.746 178.421 1.325 25451 8888 1 18 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.630 0.159 25451 8889 1 18 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.507 0.041 25451 8890 1 18 . 1 1 31 31 LYS H H 31 8.359 8.359 8.007 0.352 25451 8891 1 18 . 1 1 32 32 LEU N N 32 121.147 121.147 121.284 -0.137 25451 8892 1 18 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.084 -0.032 25451 8893 1 18 . 1 1 32 32 LEU C C 32 179.198 179.198 178.738 0.460 25451 8894 1 18 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.781 0.724 25451 8895 1 18 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.438 0.741 25451 8896 1 18 . 1 1 32 32 LEU H H 32 7.610 7.610 7.802 -0.192 25451 8897 1 18 . 1 1 33 33 LEU N N 33 118.120 118.120 117.678 0.442 25451 8898 1 18 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.834 -0.072 25451 8899 1 18 . 1 1 33 33 LEU C C 33 179.234 179.234 178.932 0.302 25451 8900 1 18 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.402 0.012 25451 8901 1 18 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.531 0.923 25451 8902 1 18 . 1 1 33 33 LEU H H 33 7.904 7.904 8.631 -0.727 25451 8903 1 18 . 1 1 34 34 HIS N N 34 117.939 117.939 117.167 0.772 25451 8904 1 18 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.383 0.250 25451 8905 1 18 . 1 1 34 34 HIS C C 34 176.879 176.879 177.100 -0.221 25451 8906 1 18 . 1 1 34 34 HIS CA C 34 59.422 59.422 58.828 0.595 25451 8907 1 18 . 1 1 34 34 HIS CB C 34 30.072 30.072 30.193 -0.121 25451 8908 1 18 . 1 1 34 34 HIS H H 34 8.876 8.876 7.688 1.188 25451 8909 1 18 . 1 1 35 35 ALA N N 35 118.133 118.133 121.053 -2.920 25451 8910 1 18 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.216 0.069 25451 8911 1 18 . 1 1 35 35 ALA C C 35 178.395 178.395 178.805 -0.410 25451 8912 1 18 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.165 -0.980 25451 8913 1 18 . 1 1 35 35 ALA CB C 35 18.515 18.515 19.285 -0.770 25451 8914 1 18 . 1 1 35 35 ALA H H 35 7.229 7.229 8.104 -0.875 25451 8915 1 18 . 1 1 36 36 ARG N N 36 115.692 115.692 115.312 0.380 25451 8916 1 18 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.644 -0.203 25451 8917 1 18 . 1 1 36 36 ARG C C 36 175.693 175.693 175.460 0.233 25451 8918 1 18 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.294 0.451 25451 8919 1 18 . 1 1 36 36 ARG CB C 36 32.548 32.548 30.012 2.536 25451 8920 1 18 . 1 1 36 36 ARG H H 36 7.647 7.647 8.091 -0.444 25451 8921 1 18 . 1 1 37 37 THR N N 37 114.964 114.964 109.561 5.403 25451 8922 1 18 . 1 1 37 37 THR HA H 37 4.651 4.651 3.850 0.801 25451 8923 1 18 . 1 1 37 37 THR C C 37 170.636 170.636 173.795 -3.159 25451 8924 1 18 . 1 1 37 37 THR CA C 37 60.523 60.523 63.441 -2.918 25451 8925 1 18 . 1 1 37 37 THR CB C 37 68.870 68.870 66.709 2.161 25451 8926 1 18 . 1 1 37 37 THR H H 37 8.087 8.087 8.009 0.078 25451 8927 1 18 . 1 1 38 38 LYS N N 38 121.835 121.835 122.101 -0.266 25451 8928 1 18 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.124 0.543 25451 8929 1 18 . 1 1 38 38 LYS C C 38 178.139 178.139 175.704 2.435 25451 8930 1 18 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.636 -0.341 25451 8931 1 18 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.037 0.695 25451 8932 1 18 . 1 1 38 38 LYS H H 38 8.299 8.299 7.901 0.398 25451 8933 1 18 . 1 1 39 39 ASP N N 39 128.517 128.517 126.315 2.202 25451 8934 1 18 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.389 0.494 25451 8935 1 18 . 1 1 39 39 ASP C C 39 172.754 172.754 174.965 -2.211 25451 8936 1 18 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.905 -0.802 25451 8937 1 18 . 1 1 39 39 ASP CB C 39 40.987 40.987 41.042 -0.055 25451 8938 1 18 . 1 1 39 39 ASP H H 39 8.823 8.823 8.467 0.356 25451 8939 1 18 . 1 1 40 40 ILE N N 40 116.959 116.959 125.017 -8.058 25451 8940 1 18 . 1 1 40 40 ILE HA H 40 5.273 5.273 5.061 0.212 25451 8941 1 18 . 1 1 40 40 ILE C C 40 174.470 174.470 174.650 -0.180 25451 8942 1 18 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.045 -2.007 25451 8943 1 18 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.736 -0.016 25451 8944 1 18 . 1 1 40 40 ILE H H 40 7.273 7.273 7.668 -0.395 25451 8945 1 18 . 1 1 41 41 THR N N 41 125.545 125.545 123.343 2.202 25451 8946 1 18 . 1 1 41 41 THR HA H 41 4.260 4.260 4.723 -0.463 25451 8947 1 18 . 1 1 41 41 THR C C 41 171.476 171.476 172.236 -0.760 25451 8948 1 18 . 1 1 41 41 THR CA C 41 61.807 61.807 61.312 0.495 25451 8949 1 18 . 1 1 41 41 THR CB C 41 72.172 72.172 71.288 0.884 25451 8950 1 18 . 1 1 41 41 THR H H 41 8.564 8.564 8.347 0.217 25451 8951 1 18 . 1 1 42 42 VAL N N 42 126.913 126.913 126.522 0.391 25451 8952 1 18 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.949 -0.706 25451 8953 1 18 . 1 1 42 42 VAL C C 42 174.086 174.086 174.389 -0.303 25451 8954 1 18 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.398 0.850 25451 8955 1 18 . 1 1 42 42 VAL CB C 42 32.824 32.824 33.883 -1.059 25451 8956 1 18 . 1 1 42 42 VAL H H 42 8.271 8.271 8.473 -0.202 25451 8957 1 18 . 1 1 43 43 HIS N N 43 127.392 127.392 129.317 -1.925 25451 8958 1 18 . 1 1 43 43 HIS HA H 43 4.567 4.567 5.000 -0.433 25451 8959 1 18 . 1 1 43 43 HIS C C 43 174.543 174.543 173.514 1.029 25451 8960 1 18 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.019 0.084 25451 8961 1 18 . 1 1 43 43 HIS CB C 43 31.815 31.815 31.554 0.261 25451 8962 1 18 . 1 1 43 43 HIS H H 43 8.829 8.829 9.053 -0.224 25451 8963 1 18 . 1 1 44 44 TYR N N 44 126.221 126.221 128.469 -2.248 25451 8964 1 18 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.731 0.475 25451 8965 1 18 . 1 1 44 44 TYR C C 44 177.865 177.865 177.027 0.838 25451 8966 1 18 . 1 1 44 44 TYR CA C 44 57.313 57.313 58.009 -0.696 25451 8967 1 18 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.874 -2.024 25451 8968 1 18 . 1 1 44 44 TYR H H 44 8.938 8.938 9.364 -0.426 25451 8969 1 18 . 1 1 45 45 VAL N N 45 120.086 120.086 122.989 -2.903 25451 8970 1 18 . 1 1 45 45 VAL HA H 45 4.351 4.351 3.749 0.602 25451 8971 1 18 . 1 1 45 45 VAL C C 45 176.952 176.952 177.016 -0.064 25451 8972 1 18 . 1 1 45 45 VAL CA C 45 63.917 63.917 64.368 -0.451 25451 8973 1 18 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.090 0.174 25451 8974 1 18 . 1 1 45 45 VAL H H 45 9.037 9.037 8.479 0.558 25451 8975 1 18 . 1 1 46 46 ASP N N 46 118.427 118.427 121.051 -2.624 25451 8976 1 18 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.299 0.110 25451 8977 1 18 . 1 1 46 46 ASP C C 46 176.989 176.989 177.354 -0.365 25451 8978 1 18 . 1 1 46 46 ASP CA C 46 54.745 54.745 55.980 -1.235 25451 8979 1 18 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.342 -3.483 25451 8980 1 18 . 1 1 46 46 ASP H H 46 10.711 10.711 8.213 2.498 25451 8981 1 18 . 1 1 47 47 LYS N N 47 119.396 119.396 118.019 1.377 25451 8982 1 18 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.212 0.330 25451 8983 1 18 . 1 1 47 47 LYS C C 47 176.350 176.350 176.492 -0.142 25451 8984 1 18 . 1 1 47 47 LYS CA C 47 55.020 55.020 57.024 -2.004 25451 8985 1 18 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.110 -0.470 25451 8986 1 18 . 1 1 47 47 LYS H H 47 7.801 7.801 7.852 -0.051 25451 8987 1 18 . 1 1 48 48 MET N N 48 118.957 118.957 115.190 3.767 25451 8988 1 18 . 1 1 48 48 MET C C 48 177.500 177.500 176.253 1.247 25451 8989 1 18 . 1 1 48 48 MET CA C 48 54.928 54.928 54.760 0.168 25451 8990 1 18 . 1 1 48 48 MET CB C 48 36.492 36.492 35.003 1.489 25451 8991 1 18 . 1 1 48 48 MET H H 48 7.331 7.331 7.530 -0.199 25451 8992 1 18 . 1 1 49 49 SER HA H 49 4.260 4.260 4.146 0.114 25451 8993 1 18 . 1 1 49 49 SER C C 49 176.898 176.898 176.450 0.448 25451 8994 1 18 . 1 1 49 49 SER CA C 49 61.899 61.899 60.657 1.242 25451 8995 1 18 . 1 1 50 50 GLU N N 50 121.350 121.350 121.707 -0.357 25451 8996 1 18 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.193 0.557 25451 8997 1 18 . 1 1 50 50 GLU C C 50 176.971 176.971 178.464 -1.493 25451 8998 1 18 . 1 1 50 50 GLU CA C 50 56.487 56.487 57.851 -1.364 25451 8999 1 18 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.265 -1.027 25451 9000 1 18 . 1 1 50 50 GLU H H 50 10.024 10.024 8.747 1.277 25451 9001 1 18 . 1 1 51 51 GLY N N 51 109.546 109.546 107.912 1.634 25451 9002 1 18 . 1 1 51 51 GLY C C 51 175.602 175.602 176.226 -0.624 25451 9003 1 18 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.159 1.716 25451 9004 1 18 . 1 1 51 51 GLY H H 51 8.124 8.124 7.860 0.264 25451 9005 1 18 . 1 1 52 52 GLU N N 52 120.614 120.614 120.846 -0.232 25451 9006 1 18 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.126 0.076 25451 9007 1 18 . 1 1 52 52 GLU C C 52 180.056 180.056 178.850 1.206 25451 9008 1 18 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.452 -0.029 25451 9009 1 18 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.299 -0.328 25451 9010 1 18 . 1 1 52 52 GLU H H 52 8.821 8.821 7.761 1.060 25451 9011 1 18 . 1 1 53 53 GLN N N 53 123.591 123.591 119.990 3.601 25451 9012 1 18 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.143 0.001 25451 9013 1 18 . 1 1 53 53 GLN C C 53 179.600 179.600 178.434 1.166 25451 9014 1 18 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.804 0.251 25451 9015 1 18 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.608 -0.921 25451 9016 1 18 . 1 1 53 53 GLN H H 53 8.117 8.117 7.815 0.302 25451 9017 1 18 . 1 1 54 54 LEU N N 54 120.960 120.960 120.302 0.658 25451 9018 1 18 . 1 1 54 54 LEU HA H 54 4.011 4.011 3.985 0.026 25451 9019 1 18 . 1 1 54 54 LEU C C 54 179.417 179.417 179.070 0.347 25451 9020 1 18 . 1 1 54 54 LEU CA C 54 57.863 57.863 57.338 0.525 25451 9021 1 18 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.977 -0.541 25451 9022 1 18 . 1 1 54 54 LEU H H 54 8.249 8.249 7.848 0.401 25451 9023 1 18 . 1 1 55 55 ARG N N 55 118.038 118.038 119.640 -1.602 25451 9024 1 18 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.993 -0.198 25451 9025 1 18 . 1 1 55 55 ARG C C 55 180.439 180.439 178.719 1.720 25451 9026 1 18 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.458 1.157 25451 9027 1 18 . 1 1 55 55 ARG CB C 55 29.522 29.522 30.056 -0.534 25451 9028 1 18 . 1 1 55 55 ARG H H 55 8.402 8.402 8.484 -0.082 25451 9029 1 18 . 1 1 56 56 GLY N N 56 110.675 110.675 107.839 2.836 25451 9030 1 18 . 1 1 56 56 GLY C C 56 176.350 176.350 176.146 0.204 25451 9031 1 18 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.028 0.196 25451 9032 1 18 . 1 1 56 56 GLY H H 56 8.376 8.376 8.139 0.237 25451 9033 1 18 . 1 1 57 57 GLU N N 57 124.469 124.469 122.340 2.129 25451 9034 1 18 . 1 1 57 57 GLU HA H 57 4.077 4.077 3.998 0.079 25451 9035 1 18 . 1 1 57 57 GLU C C 57 180.184 180.184 179.175 1.009 25451 9036 1 18 . 1 1 57 57 GLU CA C 57 59.606 59.606 59.346 0.260 25451 9037 1 18 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.325 0.655 25451 9038 1 18 . 1 1 57 57 GLU H H 57 8.146 8.146 7.760 0.386 25451 9039 1 18 . 1 1 58 58 ILE N N 58 121.352 121.352 119.833 1.519 25451 9040 1 18 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.836 -0.149 25451 9041 1 18 . 1 1 58 58 ILE C C 58 178.030 178.030 177.792 0.238 25451 9042 1 18 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.249 0.319 25451 9043 1 18 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.918 0.409 25451 9044 1 18 . 1 1 58 58 ILE H H 58 8.201 8.201 7.322 0.879 25451 9045 1 18 . 1 1 59 59 TYR N N 59 121.934 121.934 121.057 0.877 25451 9046 1 18 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.293 -0.158 25451 9047 1 18 . 1 1 59 59 TYR C C 59 178.322 178.322 178.368 -0.046 25451 9048 1 18 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.788 0.202 25451 9049 1 18 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.736 -0.776 25451 9050 1 18 . 1 1 59 59 TYR H H 59 8.256 8.256 8.069 0.187 25451 9051 1 18 . 1 1 60 60 GLN N N 60 119.694 119.694 117.663 2.031 25451 9052 1 18 . 1 1 60 60 GLN HA H 60 3.679 3.679 3.936 -0.257 25451 9053 1 18 . 1 1 60 60 GLN C C 60 177.336 177.336 178.498 -1.162 25451 9054 1 18 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.882 -0.102 25451 9055 1 18 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.289 0.224 25451 9056 1 18 . 1 1 60 60 GLN H H 60 8.512 8.512 8.586 -0.074 25451 9057 1 18 . 1 1 61 61 ALA N N 61 117.444 117.444 121.440 -3.996 25451 9058 1 18 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.964 0.005 25451 9059 1 18 . 1 1 61 61 ALA C C 61 179.180 179.180 178.995 0.185 25451 9060 1 18 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.824 -0.088 25451 9061 1 18 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.451 0.706 25451 9062 1 18 . 1 1 61 61 ALA H H 61 7.749 7.749 7.368 0.381 25451 9063 1 18 . 1 1 62 62 TYR N N 62 113.265 113.265 113.563 -0.298 25451 9064 1 18 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.531 -0.006 25451 9065 1 18 . 1 1 62 62 TYR C C 62 175.036 175.036 175.313 -0.277 25451 9066 1 18 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.186 1.127 25451 9067 1 18 . 1 1 62 62 TYR CB C 62 38.969 38.969 38.897 0.072 25451 9068 1 18 . 1 1 62 62 TYR H H 62 7.801 7.801 7.785 0.016 25451 9069 1 18 . 1 1 63 63 LYS N N 63 117.584 117.584 115.010 2.574 25451 9070 1 18 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.893 0.611 25451 9071 1 18 . 1 1 63 63 LYS C C 63 173.812 173.812 174.380 -0.568 25451 9072 1 18 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.922 -0.251 25451 9073 1 18 . 1 1 63 63 LYS CB C 63 28.513 28.513 28.976 -0.463 25451 9074 1 18 . 1 1 63 63 LYS H H 63 8.098 8.098 7.742 0.356 25451 9075 1 18 . 1 1 64 64 HIS N N 64 118.618 118.618 115.600 3.018 25451 9076 1 18 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.595 0.362 25451 9077 1 18 . 1 1 64 64 HIS C C 64 175.985 175.985 174.808 1.177 25451 9078 1 18 . 1 1 64 64 HIS CA C 64 55.754 55.754 55.196 0.558 25451 9079 1 18 . 1 1 64 64 HIS CB C 64 34.933 34.933 32.909 2.024 25451 9080 1 18 . 1 1 64 64 HIS H H 64 6.524 6.524 7.134 -0.610 25451 9081 1 18 . 1 1 65 65 GLU N N 65 126.723 126.723 120.050 6.673 25451 9082 1 18 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.510 -0.117 25451 9083 1 18 . 1 1 65 65 GLU C C 65 175.346 175.346 176.774 -1.428 25451 9084 1 18 . 1 1 65 65 GLU CA C 65 56.946 56.946 57.021 -0.075 25451 9085 1 18 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.070 1.203 25451 9086 1 18 . 1 1 65 65 GLU H H 65 9.188 9.188 8.847 0.341 25451 9087 1 18 . 1 1 66 66 THR N N 66 108.043 108.043 111.673 -3.630 25451 9088 1 18 . 1 1 66 66 THR HA H 66 4.393 4.393 4.616 -0.223 25451 9089 1 18 . 1 1 66 66 THR C C 66 174.579 174.579 173.024 1.555 25451 9090 1 18 . 1 1 66 66 THR CA C 66 59.698 59.698 60.487 -0.789 25451 9091 1 18 . 1 1 66 66 THR CB C 66 71.071 71.071 70.465 0.606 25451 9092 1 18 . 1 1 66 66 THR H H 66 6.296 6.296 7.492 -1.196 25451 9093 1 18 . 1 1 67 67 VAL N N 67 112.473 112.473 116.857 -4.384 25451 9094 1 18 . 1 1 67 67 VAL C C 67 173.027 173.027 173.816 -0.789 25451 9095 1 18 . 1 1 67 67 VAL CA C 67 58.047 58.047 61.947 -3.901 25451 9096 1 18 . 1 1 67 67 VAL CB C 67 32.182 32.182 30.761 1.421 25451 9097 1 18 . 1 1 67 67 VAL H H 67 7.688 7.688 8.621 -0.933 25451 9098 1 18 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.503 0.927 25451 9099 1 18 . 1 1 68 68 PRO C C 68 176.405 176.405 176.011 0.394 25451 9100 1 18 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.570 -0.763 25451 9101 1 18 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.340 2.501 25451 9102 1 18 . 1 1 69 69 ALA N N 69 124.309 124.309 121.501 2.808 25451 9103 1 18 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.655 0.153 25451 9104 1 18 . 1 1 69 69 ALA C C 69 175.273 175.273 176.603 -1.330 25451 9105 1 18 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.329 0.022 25451 9106 1 18 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.468 1.256 25451 9107 1 18 . 1 1 69 69 ALA H H 69 8.952 8.952 8.294 0.658 25451 9108 1 18 . 1 1 70 70 ILE N N 70 124.569 124.569 123.337 1.232 25451 9109 1 18 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.787 -0.237 25451 9110 1 18 . 1 1 70 70 ILE C C 70 172.553 172.553 174.214 -1.661 25451 9111 1 18 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.323 1.759 25451 9112 1 18 . 1 1 70 70 ILE CB C 70 40.069 40.069 40.867 -0.798 25451 9113 1 18 . 1 1 70 70 ILE H H 70 8.447 8.447 8.175 0.272 25451 9114 1 18 . 1 1 71 71 PHE N N 71 127.490 127.490 124.674 2.816 25451 9115 1 18 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.581 -0.358 25451 9116 1 18 . 1 1 71 71 PHE C C 71 174.798 174.798 174.861 -0.063 25451 9117 1 18 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.052 0.069 25451 9118 1 18 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.456 -1.369 25451 9119 1 18 . 1 1 71 71 PHE H H 71 9.219 9.219 9.263 -0.044 25451 9120 1 18 . 1 1 72 72 ILE N N 72 118.614 118.614 122.306 -3.692 25451 9121 1 18 . 1 1 72 72 ILE HA H 72 5.107 5.107 4.933 0.174 25451 9122 1 18 . 1 1 72 72 ILE C C 72 177.518 177.518 176.113 1.405 25451 9123 1 18 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.447 0.076 25451 9124 1 18 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.434 0.553 25451 9125 1 18 . 1 1 72 72 ILE H H 72 8.715 8.715 9.095 -0.380 25451 9126 1 18 . 1 1 73 73 ASN N N 73 129.431 129.431 126.923 2.508 25451 9127 1 18 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.387 0.280 25451 9128 1 18 . 1 1 73 73 ASN C C 73 175.273 175.273 175.721 -0.448 25451 9129 1 18 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.529 0.032 25451 9130 1 18 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.794 0.524 25451 9131 1 18 . 1 1 73 73 ASN H H 73 10.691 10.691 9.483 1.208 25451 9132 1 18 . 1 1 74 74 GLY N N 74 104.235 104.235 103.198 1.037 25451 9133 1 18 . 1 1 74 74 GLY C C 74 172.754 172.754 174.216 -1.462 25451 9134 1 18 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.354 -0.332 25451 9135 1 18 . 1 1 74 74 GLY H H 74 9.529 9.529 8.904 0.625 25451 9136 1 18 . 1 1 75 75 ASN N N 75 119.009 119.009 120.237 -1.228 25451 9137 1 18 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.005 0.093 25451 9138 1 18 . 1 1 75 75 ASN C C 75 174.269 174.269 174.111 0.158 25451 9139 1 18 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.891 -1.265 25451 9140 1 18 . 1 1 75 75 ASN CB C 75 39.978 39.978 39.876 0.102 25451 9141 1 18 . 1 1 75 75 ASN H H 75 8.116 8.116 8.144 -0.028 25451 9142 1 18 . 1 1 76 76 PHE N N 76 124.901 124.901 124.302 0.599 25451 9143 1 18 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.403 -0.749 25451 9144 1 18 . 1 1 76 76 PHE C C 76 175.273 175.273 174.703 0.570 25451 9145 1 18 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.991 0.872 25451 9146 1 18 . 1 1 76 76 PHE CB C 76 38.877 38.877 39.496 -0.619 25451 9147 1 18 . 1 1 76 76 PHE H H 76 9.004 9.004 8.543 0.461 25451 9148 1 18 . 1 1 77 77 ILE N N 77 126.459 126.459 126.138 0.321 25451 9149 1 18 . 1 1 77 77 ILE C C 77 174.506 174.506 172.925 1.581 25451 9150 1 18 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.526 -1.021 25451 9151 1 18 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.878 -4.468 25451 9152 1 18 . 1 1 77 77 ILE H H 77 8.161 8.161 7.980 0.181 25451 9153 1 18 . 1 1 78 78 GLY C C 78 172.005 172.005 173.386 -1.381 25451 9154 1 18 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.775 -0.220 25451 9155 1 18 . 1 1 79 79 GLY N N 79 109.745 109.745 111.733 -1.988 25451 9156 1 18 . 1 1 79 79 GLY C C 79 174.981 174.981 174.083 0.898 25451 9157 1 18 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.692 -1.229 25451 9158 1 18 . 1 1 79 79 GLY H H 79 9.114 9.114 7.861 1.253 25451 9159 1 18 . 1 1 80 80 CYS N N 80 120.764 120.764 122.257 -1.493 25451 9160 1 18 . 1 1 80 80 CYS C C 80 176.533 176.533 176.075 0.458 25451 9161 1 18 . 1 1 80 80 CYS CA C 80 63.825 63.825 62.469 1.356 25451 9162 1 18 . 1 1 80 80 CYS CB C 80 26.770 26.770 27.165 -0.395 25451 9163 1 18 . 1 1 80 80 CYS H H 80 8.571 8.571 8.815 -0.244 25451 9164 1 18 . 1 1 81 81 SER HA H 81 3.903 3.903 4.089 -0.186 25451 9165 1 18 . 1 1 81 81 SER C C 81 177.318 177.318 175.776 1.542 25451 9166 1 18 . 1 1 81 81 SER CA C 81 61.440 61.440 61.585 -0.145 25451 9167 1 18 . 1 1 82 82 ASP N N 82 122.226 122.226 121.822 0.404 25451 9168 1 18 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.446 -0.095 25451 9169 1 18 . 1 1 82 82 ASP C C 82 177.993 177.993 178.435 -0.442 25451 9170 1 18 . 1 1 82 82 ASP CA C 82 57.129 57.129 56.835 0.294 25451 9171 1 18 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.632 0.905 25451 9172 1 18 . 1 1 82 82 ASP H H 82 7.060 7.060 7.979 -0.919 25451 9173 1 18 . 1 1 83 83 LEU N N 83 121.542 121.542 121.251 0.291 25451 9174 1 18 . 1 1 83 83 LEU HA H 83 3.787 3.787 4.008 -0.221 25451 9175 1 18 . 1 1 83 83 LEU C C 83 177.957 177.957 178.355 -0.398 25451 9176 1 18 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.668 0.195 25451 9177 1 18 . 1 1 83 83 LEU CB C 83 42.087 42.087 42.059 0.028 25451 9178 1 18 . 1 1 83 83 LEU H H 83 7.793 7.793 7.959 -0.166 25451 9179 1 18 . 1 1 84 84 GLU N N 84 117.702 117.702 118.624 -0.922 25451 9180 1 18 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.897 -0.077 25451 9181 1 18 . 1 1 84 84 GLU C C 84 179.161 179.161 178.725 0.436 25451 9182 1 18 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.398 0.300 25451 9183 1 18 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.378 0.144 25451 9184 1 18 . 1 1 84 84 GLU H H 84 8.432 8.432 8.255 0.177 25451 9185 1 18 . 1 1 85 85 ALA N N 85 122.903 122.903 122.170 0.733 25451 9186 1 18 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.072 0.105 25451 9187 1 18 . 1 1 85 85 ALA C C 85 179.892 179.892 179.666 0.226 25451 9188 1 18 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.171 0.124 25451 9189 1 18 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.187 -0.406 25451 9190 1 18 . 1 1 85 85 ALA H H 85 7.890 7.890 8.006 -0.116 25451 9191 1 18 . 1 1 86 86 LEU N N 86 118.087 118.087 118.003 0.084 25451 9192 1 18 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.971 0.048 25451 9193 1 18 . 1 1 86 86 LEU C C 86 179.764 179.764 178.453 1.311 25451 9194 1 18 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.420 0.259 25451 9195 1 18 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.435 1.386 25451 9196 1 18 . 1 1 86 86 LEU H H 86 7.567 7.567 7.648 -0.081 25451 9197 1 18 . 1 1 87 87 ASP N N 87 119.239 119.239 119.612 -0.373 25451 9198 1 18 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.365 0.136 25451 9199 1 18 . 1 1 87 87 ASP C C 87 179.563 179.563 178.895 0.668 25451 9200 1 18 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.664 -0.810 25451 9201 1 18 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.728 1.268 25451 9202 1 18 . 1 1 87 87 ASP H H 87 7.985 7.985 7.581 0.404 25451 9203 1 18 . 1 1 88 88 LYS N N 88 121.741 121.741 119.808 1.933 25451 9204 1 18 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.117 -0.081 25451 9205 1 18 . 1 1 88 88 LYS C C 88 178.778 178.778 178.478 0.300 25451 9206 1 18 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.485 0.662 25451 9207 1 18 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.448 -0.266 25451 9208 1 18 . 1 1 88 88 LYS H H 88 8.461 8.461 8.154 0.307 25451 9209 1 18 . 1 1 89 89 GLU N N 89 115.496 115.496 116.823 -1.327 25451 9210 1 18 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.365 -0.055 25451 9211 1 18 . 1 1 89 89 GLU C C 89 176.806 176.806 176.545 0.261 25451 9212 1 18 . 1 1 89 89 GLU CA C 89 56.212 56.212 55.942 0.270 25451 9213 1 18 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.539 0.808 25451 9214 1 18 . 1 1 89 89 GLU H H 89 7.838 7.838 7.607 0.231 25451 9215 1 18 . 1 1 90 90 GLY N N 90 108.622 108.622 107.268 1.354 25451 9216 1 18 . 1 1 90 90 GLY C C 90 175.985 175.985 175.227 0.758 25451 9217 1 18 . 1 1 90 90 GLY CA C 90 46.215 46.215 46.164 0.051 25451 9218 1 18 . 1 1 90 90 GLY H H 90 7.992 7.992 7.886 0.106 25451 9219 1 18 . 1 1 91 91 LYS N N 91 117.355 117.355 118.651 -1.296 25451 9220 1 18 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.510 -0.184 25451 9221 1 18 . 1 1 91 91 LYS C C 91 177.518 177.518 177.097 0.421 25451 9222 1 18 . 1 1 91 91 LYS CA C 91 56.487 56.487 56.308 0.179 25451 9223 1 18 . 1 1 91 91 LYS CB C 91 35.117 35.117 33.070 2.047 25451 9224 1 18 . 1 1 91 91 LYS H H 91 8.047 8.047 7.810 0.237 25451 9225 1 18 . 1 1 92 92 LEU N N 92 121.641 121.641 121.017 0.624 25451 9226 1 18 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.075 -0.122 25451 9227 1 18 . 1 1 92 92 LEU C C 92 177.518 177.518 177.341 0.177 25451 9228 1 18 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.465 0.031 25451 9229 1 18 . 1 1 92 92 LEU CB C 92 41.170 41.170 41.933 -0.763 25451 9230 1 18 . 1 1 92 92 LEU H H 92 7.582 7.582 7.530 0.052 25451 9231 1 18 . 1 1 93 93 ASP N N 93 118.032 118.032 119.380 -1.348 25451 9232 1 18 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.348 -0.130 25451 9233 1 18 . 1 1 93 93 ASP C C 93 179.344 179.344 178.250 1.094 25451 9234 1 18 . 1 1 93 93 ASP CA C 93 57.955 57.955 57.438 0.517 25451 9235 1 18 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.172 -0.286 25451 9236 1 18 . 1 1 93 93 ASP H H 93 8.194 8.194 8.579 -0.385 25451 9237 1 18 . 1 1 94 94 GLY N N 94 107.012 107.012 108.358 -1.346 25451 9238 1 18 . 1 1 94 94 GLY C C 94 176.368 176.368 175.830 0.538 25451 9239 1 18 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.570 -0.172 25451 9240 1 18 . 1 1 94 94 GLY H H 94 8.271 8.271 8.064 0.207 25451 9241 1 18 . 1 1 95 95 LEU N N 95 120.472 120.472 121.323 -0.851 25451 9242 1 18 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.068 0.184 25451 9243 1 18 . 1 1 95 95 LEU C C 95 178.285 178.285 177.708 0.577 25451 9244 1 18 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.721 -0.234 25451 9245 1 18 . 1 1 95 95 LEU CB C 95 42.729 42.729 41.947 0.782 25451 9246 1 18 . 1 1 95 95 LEU H H 95 7.475 7.475 7.719 -0.244 25451 9247 1 18 . 1 1 96 96 LEU N N 96 116.181 116.181 115.800 0.381 25451 9248 1 18 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.069 0.191 25451 9249 1 18 . 1 1 96 96 LEU C C 96 176.186 176.186 177.018 -0.832 25451 9250 1 18 . 1 1 96 96 LEU CA C 96 54.561 54.561 54.799 -0.238 25451 9251 1 18 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.165 1.106 25451 9252 1 18 . 1 1 96 96 LEU H H 96 7.394 7.394 7.348 0.046 25451 9253 1 19 . 1 1 5 5 SER HA H 5 4.492 4.492 4.599 -0.107 25451 9254 1 19 . 1 1 5 5 SER C C 5 176.496 176.496 176.501 -0.005 25451 9255 1 19 . 1 1 5 5 SER CA C 5 59.422 59.422 56.791 2.631 25451 9256 1 19 . 1 1 5 5 SER CB C 5 64.100 64.100 64.815 -0.715 25451 9257 1 19 . 1 1 6 6 ILE N N 6 120.626 120.626 119.424 1.202 25451 9258 1 19 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.793 0.018 25451 9259 1 19 . 1 1 6 6 ILE C C 6 176.952 176.952 176.967 -0.015 25451 9260 1 19 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.899 0.201 25451 9261 1 19 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.081 0.329 25451 9262 1 19 . 1 1 6 6 ILE H H 6 9.168 9.168 8.372 0.796 25451 9263 1 19 . 1 1 7 7 ALA N N 7 122.320 122.320 123.097 -0.777 25451 9264 1 19 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.910 -0.016 25451 9265 1 19 . 1 1 7 7 ALA C C 7 179.837 179.837 179.445 0.392 25451 9266 1 19 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.733 0.470 25451 9267 1 19 . 1 1 7 7 ALA CB C 7 18.148 18.148 18.114 0.034 25451 9268 1 19 . 1 1 7 7 ALA H H 7 7.882 7.882 8.063 -0.181 25451 9269 1 19 . 1 1 8 8 SER N N 8 110.329 110.329 113.110 -2.781 25451 9270 1 19 . 1 1 8 8 SER HA H 8 4.227 4.227 4.198 0.029 25451 9271 1 19 . 1 1 8 8 SER C C 8 177.409 177.409 177.027 0.382 25451 9272 1 19 . 1 1 8 8 SER CA C 8 60.156 60.156 60.789 -0.633 25451 9273 1 19 . 1 1 8 8 SER CB C 8 62.908 62.908 63.157 -0.249 25451 9274 1 19 . 1 1 8 8 SER H H 8 7.647 7.647 7.691 -0.044 25451 9275 1 19 . 1 1 9 9 MET N N 9 122.133 122.133 121.413 0.720 25451 9276 1 19 . 1 1 9 9 MET HA H 9 4.127 4.127 4.174 -0.047 25451 9277 1 19 . 1 1 9 9 MET C C 9 180.841 180.841 178.551 2.290 25451 9278 1 19 . 1 1 9 9 MET CA C 9 59.147 59.147 58.742 0.405 25451 9279 1 19 . 1 1 9 9 MET CB C 9 35.025 35.025 32.623 2.402 25451 9280 1 19 . 1 1 9 9 MET H H 9 7.787 7.787 7.774 0.013 25451 9281 1 19 . 1 1 10 10 ILE N N 10 115.009 115.009 117.332 -2.323 25451 9282 1 19 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.808 -0.046 25451 9283 1 19 . 1 1 10 10 ILE C C 10 174.981 174.981 177.145 -2.164 25451 9284 1 19 . 1 1 10 10 ILE CA C 10 65.293 65.293 62.423 2.870 25451 9285 1 19 . 1 1 10 10 ILE CB C 10 37.776 37.776 36.132 1.644 25451 9286 1 19 . 1 1 10 10 ILE H H 10 8.315 8.315 7.651 0.664 25451 9287 1 19 . 1 1 11 11 LYS N N 11 117.153 117.153 118.052 -0.899 25451 9288 1 19 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.304 0.205 25451 9289 1 19 . 1 1 11 11 LYS C C 11 177.774 177.774 178.015 -0.241 25451 9290 1 19 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.339 -1.860 25451 9291 1 19 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.093 0.180 25451 9292 1 19 . 1 1 11 11 LYS H H 11 6.877 6.877 7.407 -0.530 25451 9293 1 19 . 1 1 12 12 GLY N N 12 106.134 106.134 107.565 -1.431 25451 9294 1 19 . 1 1 12 12 GLY C C 12 172.553 172.553 174.700 -2.147 25451 9295 1 19 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.363 0.943 25451 9296 1 19 . 1 1 12 12 GLY H H 12 7.757 7.757 7.961 -0.204 25451 9297 1 19 . 1 1 13 13 ASN N N 13 115.402 115.402 116.665 -1.263 25451 9298 1 19 . 1 1 13 13 ASN HA H 13 4.592 4.592 5.072 -0.480 25451 9299 1 19 . 1 1 13 13 ASN C C 13 174.068 174.068 174.516 -0.448 25451 9300 1 19 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.156 -1.997 25451 9301 1 19 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.643 -0.748 25451 9302 1 19 . 1 1 13 13 ASN H H 13 7.214 7.214 7.448 -0.234 25451 9303 1 19 . 1 1 14 14 LYS N N 14 122.033 122.033 120.564 1.469 25451 9304 1 19 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.174 -0.105 25451 9305 1 19 . 1 1 14 14 LYS C C 14 176.533 176.533 176.419 0.114 25451 9306 1 19 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.465 1.508 25451 9307 1 19 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.538 -1.998 25451 9308 1 19 . 1 1 14 14 LYS H H 14 8.351 8.351 8.876 -0.525 25451 9309 1 19 . 1 1 15 15 VAL N N 15 117.450 117.450 115.919 1.531 25451 9310 1 19 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.110 -0.086 25451 9311 1 19 . 1 1 15 15 VAL C C 15 174.543 174.543 174.393 0.150 25451 9312 1 19 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.512 -0.172 25451 9313 1 19 . 1 1 15 15 VAL CB C 15 32.732 32.732 35.531 -2.799 25451 9314 1 19 . 1 1 15 15 VAL H H 15 8.021 8.021 8.153 -0.132 25451 9315 1 19 . 1 1 16 16 VAL N N 16 128.604 128.604 126.832 1.772 25451 9316 1 19 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.143 -0.252 25451 9317 1 19 . 1 1 16 16 VAL C C 16 173.922 173.922 174.517 -0.595 25451 9318 1 19 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.736 0.613 25451 9319 1 19 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.055 0.153 25451 9320 1 19 . 1 1 16 16 VAL H H 16 8.909 8.909 9.196 -0.287 25451 9321 1 19 . 1 1 17 17 VAL N N 17 126.814 126.814 125.059 1.755 25451 9322 1 19 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.040 -0.025 25451 9323 1 19 . 1 1 17 17 VAL C C 17 173.593 173.593 174.324 -0.731 25451 9324 1 19 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.567 -0.686 25451 9325 1 19 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.995 -0.511 25451 9326 1 19 . 1 1 17 17 VAL H H 17 8.359 8.359 8.967 -0.608 25451 9327 1 19 . 1 1 18 18 PHE N N 18 125.697 125.697 124.629 1.068 25451 9328 1 19 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.456 -0.042 25451 9329 1 19 . 1 1 18 18 PHE C C 18 175.364 175.364 175.457 -0.093 25451 9330 1 19 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.383 0.746 25451 9331 1 19 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.108 -1.772 25451 9332 1 19 . 1 1 18 18 PHE H H 18 9.015 9.015 9.262 -0.247 25451 9333 1 19 . 1 1 19 19 SER N N 19 120.570 120.570 117.079 3.491 25451 9334 1 19 . 1 1 19 19 SER HA H 19 5.215 5.215 4.822 0.393 25451 9335 1 19 . 1 1 19 19 SER C C 19 173.539 173.539 173.008 0.531 25451 9336 1 19 . 1 1 19 19 SER CA C 19 57.863 57.863 57.024 0.839 25451 9337 1 19 . 1 1 19 19 SER CB C 19 69.512 69.512 65.487 4.025 25451 9338 1 19 . 1 1 19 19 SER H H 19 9.137 9.137 8.786 0.351 25451 9339 1 19 . 1 1 20 20 TRP N N 20 122.520 122.520 121.803 0.717 25451 9340 1 19 . 1 1 20 20 TRP HA H 20 5.945 5.945 4.990 0.955 25451 9341 1 19 . 1 1 20 20 TRP C C 20 178.030 178.030 174.348 3.682 25451 9342 1 19 . 1 1 20 20 TRP CA C 20 54.011 54.011 57.417 -3.406 25451 9343 1 19 . 1 1 20 20 TRP CB C 20 33.190 33.190 33.083 0.107 25451 9344 1 19 . 1 1 20 20 TRP H H 20 8.520 8.520 8.209 0.311 25451 9345 1 19 . 1 1 21 21 VAL N N 21 124.864 124.864 123.439 1.425 25451 9346 1 19 . 1 1 21 21 VAL C C 21 177.208 177.208 176.036 1.172 25451 9347 1 19 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.845 2.539 25451 9348 1 19 . 1 1 21 21 VAL CB C 21 32.273 32.273 31.847 0.426 25451 9349 1 19 . 1 1 21 21 VAL H H 21 9.956 9.956 7.843 2.113 25451 9350 1 19 . 1 1 22 22 THR HA H 22 4.542 4.542 4.715 -0.173 25451 9351 1 19 . 1 1 22 22 THR C C 22 174.269 174.269 173.382 0.887 25451 9352 1 19 . 1 1 22 22 THR CA C 22 60.982 60.982 60.813 0.169 25451 9353 1 19 . 1 1 22 22 THR CB C 22 69.237 69.237 70.198 -0.961 25451 9354 1 19 . 1 1 23 23 CYS N N 23 127.689 127.689 126.422 1.267 25451 9355 1 19 . 1 1 23 23 CYS C C 23 175.054 175.054 173.856 1.198 25451 9356 1 19 . 1 1 23 23 CYS CA C 23 56.396 56.396 56.013 0.383 25451 9357 1 19 . 1 1 23 23 CYS CB C 23 32.273 32.273 30.004 2.269 25451 9358 1 19 . 1 1 23 23 CYS H H 23 7.013 7.013 8.823 -1.810 25451 9359 1 19 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.314 -0.013 25451 9360 1 19 . 1 1 24 24 PRO C C 24 180.202 180.202 176.850 3.352 25451 9361 1 19 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.621 -0.154 25451 9362 1 19 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.347 0.835 25451 9363 1 19 . 1 1 25 25 TYR N N 25 126.810 126.810 117.887 8.923 25451 9364 1 19 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.413 -0.103 25451 9365 1 19 . 1 1 25 25 TYR C C 25 178.632 178.632 177.837 0.795 25451 9366 1 19 . 1 1 25 25 TYR CA C 25 61.715 61.715 60.502 1.213 25451 9367 1 19 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.591 0.185 25451 9368 1 19 . 1 1 25 25 TYR H H 25 9.569 9.569 7.497 2.072 25451 9369 1 19 . 1 1 26 26 CYS N N 26 127.984 127.984 118.591 9.393 25451 9370 1 19 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.217 -0.198 25451 9371 1 19 . 1 1 26 26 CYS C C 26 176.642 176.642 176.715 -0.073 25451 9372 1 19 . 1 1 26 26 CYS CA C 26 64.559 64.559 64.011 0.548 25451 9373 1 19 . 1 1 26 26 CYS CB C 26 28.238 28.238 27.349 0.889 25451 9374 1 19 . 1 1 26 26 CYS H H 26 9.239 9.239 8.389 0.850 25451 9375 1 19 . 1 1 27 27 VAL N N 27 121.054 121.054 118.853 2.201 25451 9376 1 19 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.664 -0.077 25451 9377 1 19 . 1 1 27 27 VAL C C 27 178.614 178.614 177.137 1.477 25451 9378 1 19 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.453 0.307 25451 9379 1 19 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.121 0.969 25451 9380 1 19 . 1 1 27 27 VAL H H 27 8.402 8.402 7.668 0.734 25451 9381 1 19 . 1 1 28 28 ARG N N 28 119.686 119.686 120.277 -0.591 25451 9382 1 19 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.979 -0.018 25451 9383 1 19 . 1 1 28 28 ARG C C 28 178.742 178.742 178.642 0.100 25451 9384 1 19 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.288 0.318 25451 9385 1 19 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.775 0.847 25451 9386 1 19 . 1 1 28 28 ARG H H 28 7.655 7.655 8.157 -0.502 25451 9387 1 19 . 1 1 29 29 ALA N N 29 122.324 122.324 122.730 -0.406 25451 9388 1 19 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.077 -0.066 25451 9389 1 19 . 1 1 29 29 ALA C C 29 178.906 178.906 179.414 -0.508 25451 9390 1 19 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.076 0.036 25451 9391 1 19 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.410 0.197 25451 9392 1 19 . 1 1 29 29 ALA H H 29 8.175 8.175 7.826 0.349 25451 9393 1 19 . 1 1 30 30 GLU N N 30 117.151 117.151 118.766 -1.615 25451 9394 1 19 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.957 -0.420 25451 9395 1 19 . 1 1 30 30 GLU C C 30 178.030 178.030 179.136 -1.106 25451 9396 1 19 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.661 0.954 25451 9397 1 19 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.557 -0.035 25451 9398 1 19 . 1 1 30 30 GLU H H 30 8.689 8.689 8.415 0.274 25451 9399 1 19 . 1 1 31 31 LYS N N 31 119.597 119.597 120.118 -0.521 25451 9400 1 19 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.035 0.001 25451 9401 1 19 . 1 1 31 31 LYS C C 31 179.746 179.746 178.607 1.139 25451 9402 1 19 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.790 -0.001 25451 9403 1 19 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.516 0.032 25451 9404 1 19 . 1 1 31 31 LYS H H 31 8.359 8.359 8.446 -0.087 25451 9405 1 19 . 1 1 32 32 LEU N N 32 121.147 121.147 121.607 -0.460 25451 9406 1 19 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.098 -0.046 25451 9407 1 19 . 1 1 32 32 LEU C C 32 179.198 179.198 178.679 0.519 25451 9408 1 19 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.579 0.926 25451 9409 1 19 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.282 0.897 25451 9410 1 19 . 1 1 32 32 LEU H H 32 7.610 7.610 7.686 -0.076 25451 9411 1 19 . 1 1 33 33 LEU N N 33 118.120 118.120 118.720 -0.600 25451 9412 1 19 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.756 0.006 25451 9413 1 19 . 1 1 33 33 LEU C C 33 179.234 179.234 178.992 0.242 25451 9414 1 19 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.606 -0.192 25451 9415 1 19 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.549 0.905 25451 9416 1 19 . 1 1 33 33 LEU H H 33 7.904 7.904 8.742 -0.838 25451 9417 1 19 . 1 1 34 34 HIS N N 34 117.939 117.939 118.014 -0.075 25451 9418 1 19 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.306 0.327 25451 9419 1 19 . 1 1 34 34 HIS C C 34 176.879 176.879 178.122 -1.243 25451 9420 1 19 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.764 -0.342 25451 9421 1 19 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.932 0.140 25451 9422 1 19 . 1 1 34 34 HIS H H 34 8.876 8.876 8.068 0.808 25451 9423 1 19 . 1 1 35 35 ALA N N 35 118.133 118.133 122.100 -3.967 25451 9424 1 19 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.216 0.069 25451 9425 1 19 . 1 1 35 35 ALA C C 35 178.395 178.395 178.783 -0.388 25451 9426 1 19 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.518 -1.333 25451 9427 1 19 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.887 -0.371 25451 9428 1 19 . 1 1 35 35 ALA H H 35 7.229 7.229 8.204 -0.975 25451 9429 1 19 . 1 1 36 36 ARG N N 36 115.692 115.692 116.154 -0.462 25451 9430 1 19 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.674 -0.232 25451 9431 1 19 . 1 1 36 36 ARG C C 36 175.693 175.693 175.018 0.675 25451 9432 1 19 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.445 0.300 25451 9433 1 19 . 1 1 36 36 ARG CB C 36 32.548 32.548 30.255 2.293 25451 9434 1 19 . 1 1 36 36 ARG H H 36 7.647 7.647 7.933 -0.286 25451 9435 1 19 . 1 1 37 37 THR N N 37 114.964 114.964 111.030 3.934 25451 9436 1 19 . 1 1 37 37 THR HA H 37 4.651 4.651 3.795 0.856 25451 9437 1 19 . 1 1 37 37 THR C C 37 170.636 170.636 173.593 -2.957 25451 9438 1 19 . 1 1 37 37 THR CA C 37 60.523 60.523 63.068 -2.545 25451 9439 1 19 . 1 1 37 37 THR CB C 37 68.870 68.870 66.752 2.118 25451 9440 1 19 . 1 1 37 37 THR H H 37 8.087 8.087 7.880 0.207 25451 9441 1 19 . 1 1 38 38 LYS N N 38 121.835 121.835 121.910 -0.075 25451 9442 1 19 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.240 0.427 25451 9443 1 19 . 1 1 38 38 LYS C C 38 178.139 178.139 175.680 2.459 25451 9444 1 19 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.121 0.174 25451 9445 1 19 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.296 0.436 25451 9446 1 19 . 1 1 38 38 LYS H H 38 8.299 8.299 8.043 0.256 25451 9447 1 19 . 1 1 39 39 ASP N N 39 128.517 128.517 126.142 2.375 25451 9448 1 19 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.368 0.515 25451 9449 1 19 . 1 1 39 39 ASP C C 39 172.754 172.754 175.051 -2.297 25451 9450 1 19 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.907 -0.805 25451 9451 1 19 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.971 0.015 25451 9452 1 19 . 1 1 39 39 ASP H H 39 8.823 8.823 8.480 0.343 25451 9453 1 19 . 1 1 40 40 ILE N N 40 116.959 116.959 125.439 -8.480 25451 9454 1 19 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.880 0.393 25451 9455 1 19 . 1 1 40 40 ILE C C 40 174.470 174.470 174.878 -0.408 25451 9456 1 19 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.295 -2.257 25451 9457 1 19 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.241 0.479 25451 9458 1 19 . 1 1 40 40 ILE H H 40 7.273 7.273 7.684 -0.411 25451 9459 1 19 . 1 1 41 41 THR N N 41 125.545 125.545 124.560 0.985 25451 9460 1 19 . 1 1 41 41 THR HA H 41 4.260 4.260 4.742 -0.481 25451 9461 1 19 . 1 1 41 41 THR C C 41 171.476 171.476 172.272 -0.796 25451 9462 1 19 . 1 1 41 41 THR CA C 41 61.807 61.807 61.412 0.395 25451 9463 1 19 . 1 1 41 41 THR CB C 41 72.172 72.172 71.059 1.113 25451 9464 1 19 . 1 1 41 41 THR H H 41 8.564 8.564 8.468 0.096 25451 9465 1 19 . 1 1 42 42 VAL N N 42 126.913 126.913 126.109 0.804 25451 9466 1 19 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.898 -0.655 25451 9467 1 19 . 1 1 42 42 VAL C C 42 174.086 174.086 174.264 -0.178 25451 9468 1 19 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.626 0.622 25451 9469 1 19 . 1 1 42 42 VAL CB C 42 32.824 32.824 34.569 -1.744 25451 9470 1 19 . 1 1 42 42 VAL H H 42 8.271 8.271 8.478 -0.207 25451 9471 1 19 . 1 1 43 43 HIS N N 43 127.392 127.392 128.715 -1.323 25451 9472 1 19 . 1 1 43 43 HIS HA H 43 4.567 4.567 5.007 -0.440 25451 9473 1 19 . 1 1 43 43 HIS C C 43 174.543 174.543 173.965 0.578 25451 9474 1 19 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.323 -0.220 25451 9475 1 19 . 1 1 43 43 HIS CB C 43 31.815 31.815 32.606 -0.791 25451 9476 1 19 . 1 1 43 43 HIS H H 43 8.829 8.829 9.045 -0.216 25451 9477 1 19 . 1 1 44 44 TYR N N 44 126.221 126.221 128.752 -2.531 25451 9478 1 19 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.949 0.257 25451 9479 1 19 . 1 1 44 44 TYR C C 44 177.865 177.865 177.128 0.737 25451 9480 1 19 . 1 1 44 44 TYR CA C 44 57.313 57.313 57.675 -0.362 25451 9481 1 19 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.691 -1.841 25451 9482 1 19 . 1 1 44 44 TYR H H 44 8.938 8.938 9.086 -0.148 25451 9483 1 19 . 1 1 45 45 VAL N N 45 120.086 120.086 122.912 -2.826 25451 9484 1 19 . 1 1 45 45 VAL HA H 45 4.351 4.351 4.147 0.204 25451 9485 1 19 . 1 1 45 45 VAL C C 45 176.952 176.952 177.346 -0.394 25451 9486 1 19 . 1 1 45 45 VAL CA C 45 63.917 63.917 64.770 -0.853 25451 9487 1 19 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.437 -0.173 25451 9488 1 19 . 1 1 45 45 VAL H H 45 9.037 9.037 8.259 0.778 25451 9489 1 19 . 1 1 46 46 ASP N N 46 118.427 118.427 118.441 -0.014 25451 9490 1 19 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.544 -0.135 25451 9491 1 19 . 1 1 46 46 ASP C C 46 176.989 176.989 177.277 -0.288 25451 9492 1 19 . 1 1 46 46 ASP CA C 46 54.745 54.745 56.001 -1.256 25451 9493 1 19 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.614 -3.755 25451 9494 1 19 . 1 1 46 46 ASP H H 46 10.711 10.711 8.690 2.021 25451 9495 1 19 . 1 1 47 47 LYS N N 47 119.396 119.396 117.974 1.422 25451 9496 1 19 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.225 0.317 25451 9497 1 19 . 1 1 47 47 LYS C C 47 176.350 176.350 176.704 -0.354 25451 9498 1 19 . 1 1 47 47 LYS CA C 47 55.020 55.020 56.849 -1.829 25451 9499 1 19 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.070 -0.430 25451 9500 1 19 . 1 1 47 47 LYS H H 47 7.801 7.801 8.042 -0.241 25451 9501 1 19 . 1 1 48 48 MET N N 48 118.957 118.957 119.717 -0.760 25451 9502 1 19 . 1 1 48 48 MET C C 48 177.500 177.500 176.767 0.733 25451 9503 1 19 . 1 1 48 48 MET CA C 48 54.928 54.928 54.705 0.224 25451 9504 1 19 . 1 1 48 48 MET CB C 48 36.492 36.492 34.588 1.904 25451 9505 1 19 . 1 1 48 48 MET H H 48 7.331 7.331 7.629 -0.298 25451 9506 1 19 . 1 1 49 49 SER HA H 49 4.260 4.260 4.221 0.039 25451 9507 1 19 . 1 1 49 49 SER C C 49 176.898 176.898 176.360 0.538 25451 9508 1 19 . 1 1 49 49 SER CA C 49 61.899 61.899 60.919 0.980 25451 9509 1 19 . 1 1 50 50 GLU N N 50 121.350 121.350 122.167 -0.817 25451 9510 1 19 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.332 0.418 25451 9511 1 19 . 1 1 50 50 GLU C C 50 176.971 176.971 178.467 -1.496 25451 9512 1 19 . 1 1 50 50 GLU CA C 50 56.487 56.487 56.960 -0.473 25451 9513 1 19 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.548 -1.310 25451 9514 1 19 . 1 1 50 50 GLU H H 50 10.024 10.024 8.523 1.501 25451 9515 1 19 . 1 1 51 51 GLY N N 51 109.546 109.546 108.504 1.042 25451 9516 1 19 . 1 1 51 51 GLY C C 51 175.602 175.602 175.882 -0.280 25451 9517 1 19 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.292 1.583 25451 9518 1 19 . 1 1 51 51 GLY H H 51 8.124 8.124 8.392 -0.268 25451 9519 1 19 . 1 1 52 52 GLU N N 52 120.614 120.614 120.930 -0.316 25451 9520 1 19 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.067 0.135 25451 9521 1 19 . 1 1 52 52 GLU C C 52 180.056 180.056 178.862 1.194 25451 9522 1 19 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.507 -0.085 25451 9523 1 19 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.212 -0.241 25451 9524 1 19 . 1 1 52 52 GLU H H 52 8.821 8.821 8.292 0.529 25451 9525 1 19 . 1 1 53 53 GLN N N 53 123.591 123.591 119.477 4.114 25451 9526 1 19 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.129 0.015 25451 9527 1 19 . 1 1 53 53 GLN C C 53 179.600 179.600 178.531 1.069 25451 9528 1 19 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.767 0.289 25451 9529 1 19 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.684 -0.997 25451 9530 1 19 . 1 1 53 53 GLN H H 53 8.117 8.117 8.084 0.033 25451 9531 1 19 . 1 1 54 54 LEU N N 54 120.960 120.960 119.565 1.395 25451 9532 1 19 . 1 1 54 54 LEU HA H 54 4.011 4.011 4.055 -0.044 25451 9533 1 19 . 1 1 54 54 LEU C C 54 179.417 179.417 178.998 0.419 25451 9534 1 19 . 1 1 54 54 LEU CA C 54 57.863 57.863 56.868 0.995 25451 9535 1 19 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.783 -0.347 25451 9536 1 19 . 1 1 54 54 LEU H H 54 8.249 8.249 7.420 0.829 25451 9537 1 19 . 1 1 55 55 ARG N N 55 118.038 118.038 120.111 -2.073 25451 9538 1 19 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.838 -0.043 25451 9539 1 19 . 1 1 55 55 ARG C C 55 180.439 180.439 178.493 1.946 25451 9540 1 19 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.629 0.986 25451 9541 1 19 . 1 1 55 55 ARG CB C 55 29.522 29.522 30.117 -0.595 25451 9542 1 19 . 1 1 55 55 ARG H H 55 8.402 8.402 8.801 -0.399 25451 9543 1 19 . 1 1 56 56 GLY N N 56 110.675 110.675 107.300 3.375 25451 9544 1 19 . 1 1 56 56 GLY C C 56 176.350 176.350 175.986 0.364 25451 9545 1 19 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.105 0.119 25451 9546 1 19 . 1 1 56 56 GLY H H 56 8.376 8.376 8.184 0.192 25451 9547 1 19 . 1 1 57 57 GLU N N 57 124.469 124.469 121.993 2.476 25451 9548 1 19 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.012 0.065 25451 9549 1 19 . 1 1 57 57 GLU C C 57 180.184 180.184 179.055 1.129 25451 9550 1 19 . 1 1 57 57 GLU CA C 57 59.606 59.606 59.214 0.392 25451 9551 1 19 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.202 0.778 25451 9552 1 19 . 1 1 57 57 GLU H H 57 8.146 8.146 7.370 0.776 25451 9553 1 19 . 1 1 58 58 ILE N N 58 121.352 121.352 120.296 1.056 25451 9554 1 19 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.787 -0.100 25451 9555 1 19 . 1 1 58 58 ILE C C 58 178.030 178.030 177.802 0.228 25451 9556 1 19 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.588 -0.021 25451 9557 1 19 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.797 0.530 25451 9558 1 19 . 1 1 58 58 ILE H H 58 8.201 8.201 7.466 0.735 25451 9559 1 19 . 1 1 59 59 TYR N N 59 121.934 121.934 120.662 1.272 25451 9560 1 19 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.473 -0.338 25451 9561 1 19 . 1 1 59 59 TYR C C 59 178.322 178.322 178.394 -0.072 25451 9562 1 19 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.624 0.367 25451 9563 1 19 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.815 -0.855 25451 9564 1 19 . 1 1 59 59 TYR H H 59 8.256 8.256 7.769 0.487 25451 9565 1 19 . 1 1 60 60 GLN N N 60 119.694 119.694 117.685 2.009 25451 9566 1 19 . 1 1 60 60 GLN HA H 60 3.679 3.679 3.919 -0.240 25451 9567 1 19 . 1 1 60 60 GLN C C 60 177.336 177.336 177.481 -0.145 25451 9568 1 19 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.529 0.251 25451 9569 1 19 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.735 -0.222 25451 9570 1 19 . 1 1 60 60 GLN H H 60 8.512 8.512 8.389 0.123 25451 9571 1 19 . 1 1 61 61 ALA N N 61 117.444 117.444 120.162 -2.718 25451 9572 1 19 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.957 0.012 25451 9573 1 19 . 1 1 61 61 ALA C C 61 179.180 179.180 178.644 0.536 25451 9574 1 19 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.610 0.126 25451 9575 1 19 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.612 0.545 25451 9576 1 19 . 1 1 61 61 ALA H H 61 7.749 7.749 7.501 0.248 25451 9577 1 19 . 1 1 62 62 TYR N N 62 113.265 113.265 115.183 -1.918 25451 9578 1 19 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.475 0.050 25451 9579 1 19 . 1 1 62 62 TYR C C 62 175.036 175.036 175.582 -0.546 25451 9580 1 19 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.680 0.633 25451 9581 1 19 . 1 1 62 62 TYR CB C 62 38.969 38.969 39.217 -0.248 25451 9582 1 19 . 1 1 62 62 TYR H H 62 7.801 7.801 7.811 -0.010 25451 9583 1 19 . 1 1 63 63 LYS N N 63 117.584 117.584 117.063 0.521 25451 9584 1 19 . 1 1 63 63 LYS HA H 63 3.504 3.504 3.491 0.013 25451 9585 1 19 . 1 1 63 63 LYS C C 63 173.812 173.812 174.372 -0.560 25451 9586 1 19 . 1 1 63 63 LYS CA C 63 56.671 56.671 57.262 -0.591 25451 9587 1 19 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.517 -1.004 25451 9588 1 19 . 1 1 63 63 LYS H H 63 8.098 8.098 7.905 0.193 25451 9589 1 19 . 1 1 64 64 HIS N N 64 118.618 118.618 114.677 3.941 25451 9590 1 19 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.477 0.480 25451 9591 1 19 . 1 1 64 64 HIS C C 64 175.985 175.985 173.033 2.952 25451 9592 1 19 . 1 1 64 64 HIS CA C 64 55.754 55.754 54.849 0.905 25451 9593 1 19 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.054 1.879 25451 9594 1 19 . 1 1 64 64 HIS H H 64 6.524 6.524 7.159 -0.635 25451 9595 1 19 . 1 1 65 65 GLU N N 65 126.723 126.723 120.655 6.068 25451 9596 1 19 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.641 -0.248 25451 9597 1 19 . 1 1 65 65 GLU C C 65 175.346 175.346 176.329 -0.983 25451 9598 1 19 . 1 1 65 65 GLU CA C 65 56.946 56.946 54.726 2.220 25451 9599 1 19 . 1 1 65 65 GLU CB C 65 32.273 32.273 32.446 -0.173 25451 9600 1 19 . 1 1 65 65 GLU H H 65 9.188 9.188 8.102 1.086 25451 9601 1 19 . 1 1 66 66 THR N N 66 108.043 108.043 112.698 -4.655 25451 9602 1 19 . 1 1 66 66 THR HA H 66 4.393 4.393 4.556 -0.163 25451 9603 1 19 . 1 1 66 66 THR C C 66 174.579 174.579 174.039 0.540 25451 9604 1 19 . 1 1 66 66 THR CA C 66 59.698 59.698 61.675 -1.977 25451 9605 1 19 . 1 1 66 66 THR CB C 66 71.071 71.071 70.099 0.972 25451 9606 1 19 . 1 1 66 66 THR H H 66 6.296 6.296 8.259 -1.963 25451 9607 1 19 . 1 1 67 67 VAL N N 67 112.473 112.473 115.117 -2.644 25451 9608 1 19 . 1 1 67 67 VAL C C 67 173.027 173.027 173.598 -0.571 25451 9609 1 19 . 1 1 67 67 VAL CA C 67 58.047 58.047 61.299 -3.252 25451 9610 1 19 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.579 0.603 25451 9611 1 19 . 1 1 67 67 VAL H H 67 7.688 7.688 8.569 -0.881 25451 9612 1 19 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.592 0.838 25451 9613 1 19 . 1 1 68 68 PRO C C 68 176.405 176.405 175.627 0.778 25451 9614 1 19 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.447 -0.640 25451 9615 1 19 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.575 2.266 25451 9616 1 19 . 1 1 69 69 ALA N N 69 124.309 124.309 120.925 3.384 25451 9617 1 19 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.699 0.109 25451 9618 1 19 . 1 1 69 69 ALA C C 69 175.273 175.273 176.502 -1.229 25451 9619 1 19 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.411 -0.060 25451 9620 1 19 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.530 1.195 25451 9621 1 19 . 1 1 69 69 ALA H H 69 8.952 8.952 8.042 0.910 25451 9622 1 19 . 1 1 70 70 ILE N N 70 124.569 124.569 122.724 1.845 25451 9623 1 19 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.764 -0.214 25451 9624 1 19 . 1 1 70 70 ILE C C 70 172.553 172.553 174.182 -1.629 25451 9625 1 19 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.269 1.813 25451 9626 1 19 . 1 1 70 70 ILE CB C 70 40.069 40.069 40.914 -0.845 25451 9627 1 19 . 1 1 70 70 ILE H H 70 8.447 8.447 8.169 0.278 25451 9628 1 19 . 1 1 71 71 PHE N N 71 127.490 127.490 124.593 2.897 25451 9629 1 19 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.485 -0.262 25451 9630 1 19 . 1 1 71 71 PHE C C 71 174.798 174.798 174.746 0.052 25451 9631 1 19 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.250 -0.129 25451 9632 1 19 . 1 1 71 71 PHE CB C 71 42.087 42.087 42.864 -0.777 25451 9633 1 19 . 1 1 71 71 PHE H H 71 9.219 9.219 9.287 -0.068 25451 9634 1 19 . 1 1 72 72 ILE N N 72 118.614 118.614 122.610 -3.996 25451 9635 1 19 . 1 1 72 72 ILE HA H 72 5.107 5.107 4.966 0.141 25451 9636 1 19 . 1 1 72 72 ILE C C 72 177.518 177.518 176.119 1.399 25451 9637 1 19 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.396 0.127 25451 9638 1 19 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.390 0.597 25451 9639 1 19 . 1 1 72 72 ILE H H 72 8.715 8.715 9.139 -0.424 25451 9640 1 19 . 1 1 73 73 ASN N N 73 129.431 129.431 126.570 2.861 25451 9641 1 19 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.385 0.282 25451 9642 1 19 . 1 1 73 73 ASN C C 73 175.273 175.273 175.819 -0.546 25451 9643 1 19 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.401 0.161 25451 9644 1 19 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.657 0.661 25451 9645 1 19 . 1 1 73 73 ASN H H 73 10.691 10.691 9.488 1.203 25451 9646 1 19 . 1 1 74 74 GLY N N 74 104.235 104.235 103.204 1.031 25451 9647 1 19 . 1 1 74 74 GLY C C 74 172.754 172.754 174.039 -1.285 25451 9648 1 19 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.420 -0.398 25451 9649 1 19 . 1 1 74 74 GLY H H 74 9.529 9.529 8.897 0.632 25451 9650 1 19 . 1 1 75 75 ASN N N 75 119.009 119.009 119.841 -0.832 25451 9651 1 19 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.038 0.060 25451 9652 1 19 . 1 1 75 75 ASN C C 75 174.269 174.269 174.075 0.194 25451 9653 1 19 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.741 -1.115 25451 9654 1 19 . 1 1 75 75 ASN CB C 75 39.978 39.978 40.419 -0.441 25451 9655 1 19 . 1 1 75 75 ASN H H 75 8.116 8.116 8.173 -0.057 25451 9656 1 19 . 1 1 76 76 PHE N N 76 124.901 124.901 124.798 0.103 25451 9657 1 19 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.586 -0.932 25451 9658 1 19 . 1 1 76 76 PHE C C 76 175.273 175.273 174.578 0.695 25451 9659 1 19 . 1 1 76 76 PHE CA C 76 57.863 57.863 57.178 0.685 25451 9660 1 19 . 1 1 76 76 PHE CB C 76 38.877 38.877 39.690 -0.813 25451 9661 1 19 . 1 1 76 76 PHE H H 76 9.004 9.004 8.543 0.461 25451 9662 1 19 . 1 1 77 77 ILE N N 77 126.459 126.459 126.497 -0.038 25451 9663 1 19 . 1 1 77 77 ILE C C 77 174.506 174.506 172.964 1.542 25451 9664 1 19 . 1 1 77 77 ILE CA C 77 58.505 58.505 58.746 -0.241 25451 9665 1 19 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.998 -4.588 25451 9666 1 19 . 1 1 77 77 ILE H H 77 8.161 8.161 8.066 0.095 25451 9667 1 19 . 1 1 78 78 GLY C C 78 172.005 172.005 173.376 -1.371 25451 9668 1 19 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.668 -0.113 25451 9669 1 19 . 1 1 79 79 GLY N N 79 109.745 109.745 111.558 -1.813 25451 9670 1 19 . 1 1 79 79 GLY C C 79 174.981 174.981 174.216 0.765 25451 9671 1 19 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.896 -1.433 25451 9672 1 19 . 1 1 79 79 GLY H H 79 9.114 9.114 7.939 1.175 25451 9673 1 19 . 1 1 80 80 CYS N N 80 120.764 120.764 120.653 0.111 25451 9674 1 19 . 1 1 80 80 CYS C C 80 176.533 176.533 176.689 -0.156 25451 9675 1 19 . 1 1 80 80 CYS CA C 80 63.825 63.825 63.371 0.454 25451 9676 1 19 . 1 1 80 80 CYS CB C 80 26.770 26.770 27.717 -0.947 25451 9677 1 19 . 1 1 80 80 CYS H H 80 8.571 8.571 8.783 -0.212 25451 9678 1 19 . 1 1 81 81 SER HA H 81 3.903 3.903 4.250 -0.347 25451 9679 1 19 . 1 1 81 81 SER C C 81 177.318 177.318 176.316 1.002 25451 9680 1 19 . 1 1 81 81 SER CA C 81 61.440 61.440 61.343 0.097 25451 9681 1 19 . 1 1 82 82 ASP N N 82 122.226 122.226 121.164 1.062 25451 9682 1 19 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.361 -0.010 25451 9683 1 19 . 1 1 82 82 ASP C C 82 177.993 177.993 178.685 -0.692 25451 9684 1 19 . 1 1 82 82 ASP CA C 82 57.129 57.129 57.028 0.101 25451 9685 1 19 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.633 0.904 25451 9686 1 19 . 1 1 82 82 ASP H H 82 7.060 7.060 8.231 -1.171 25451 9687 1 19 . 1 1 83 83 LEU N N 83 121.542 121.542 120.764 0.778 25451 9688 1 19 . 1 1 83 83 LEU HA H 83 3.787 3.787 4.026 -0.239 25451 9689 1 19 . 1 1 83 83 LEU C C 83 177.957 177.957 178.328 -0.371 25451 9690 1 19 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.681 0.182 25451 9691 1 19 . 1 1 83 83 LEU CB C 83 42.087 42.087 42.057 0.030 25451 9692 1 19 . 1 1 83 83 LEU H H 83 7.793 7.793 8.024 -0.231 25451 9693 1 19 . 1 1 84 84 GLU N N 84 117.702 117.702 119.038 -1.336 25451 9694 1 19 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.892 -0.072 25451 9695 1 19 . 1 1 84 84 GLU C C 84 179.161 179.161 178.771 0.390 25451 9696 1 19 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.339 0.359 25451 9697 1 19 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.386 0.136 25451 9698 1 19 . 1 1 84 84 GLU H H 84 8.432 8.432 7.884 0.548 25451 9699 1 19 . 1 1 85 85 ALA N N 85 122.903 122.903 122.002 0.901 25451 9700 1 19 . 1 1 85 85 ALA HA H 85 4.177 4.177 3.976 0.201 25451 9701 1 19 . 1 1 85 85 ALA C C 85 179.892 179.892 179.206 0.686 25451 9702 1 19 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.344 -0.049 25451 9703 1 19 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.386 -0.605 25451 9704 1 19 . 1 1 85 85 ALA H H 85 7.890 7.890 8.293 -0.403 25451 9705 1 19 . 1 1 86 86 LEU N N 86 118.087 118.087 118.197 -0.110 25451 9706 1 19 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.892 0.127 25451 9707 1 19 . 1 1 86 86 LEU C C 86 179.764 179.764 178.735 1.029 25451 9708 1 19 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.243 0.437 25451 9709 1 19 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.519 1.302 25451 9710 1 19 . 1 1 86 86 LEU H H 86 7.567 7.567 7.556 0.011 25451 9711 1 19 . 1 1 87 87 ASP N N 87 119.239 119.239 118.881 0.358 25451 9712 1 19 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.353 0.148 25451 9713 1 19 . 1 1 87 87 ASP C C 87 179.563 179.563 178.657 0.906 25451 9714 1 19 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.177 -0.323 25451 9715 1 19 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.794 1.202 25451 9716 1 19 . 1 1 87 87 ASP H H 87 7.985 7.985 7.663 0.322 25451 9717 1 19 . 1 1 88 88 LYS N N 88 121.741 121.741 119.382 2.359 25451 9718 1 19 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.160 -0.124 25451 9719 1 19 . 1 1 88 88 LYS C C 88 178.778 178.778 178.510 0.268 25451 9720 1 19 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.365 0.782 25451 9721 1 19 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.613 -0.431 25451 9722 1 19 . 1 1 88 88 LYS H H 88 8.461 8.461 7.894 0.567 25451 9723 1 19 . 1 1 89 89 GLU N N 89 115.496 115.496 117.445 -1.949 25451 9724 1 19 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.397 -0.087 25451 9725 1 19 . 1 1 89 89 GLU C C 89 176.806 176.806 177.076 -0.270 25451 9726 1 19 . 1 1 89 89 GLU CA C 89 56.212 56.212 55.740 0.472 25451 9727 1 19 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.392 0.955 25451 9728 1 19 . 1 1 89 89 GLU H H 89 7.838 7.838 7.728 0.110 25451 9729 1 19 . 1 1 90 90 GLY N N 90 108.622 108.622 107.802 0.820 25451 9730 1 19 . 1 1 90 90 GLY C C 90 175.985 175.985 175.435 0.550 25451 9731 1 19 . 1 1 90 90 GLY CA C 90 46.215 46.215 46.000 0.215 25451 9732 1 19 . 1 1 90 90 GLY H H 90 7.992 7.992 8.124 -0.132 25451 9733 1 19 . 1 1 91 91 LYS N N 91 117.355 117.355 119.475 -2.120 25451 9734 1 19 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.315 0.011 25451 9735 1 19 . 1 1 91 91 LYS C C 91 177.518 177.518 176.515 1.003 25451 9736 1 19 . 1 1 91 91 LYS CA C 91 56.487 56.487 57.307 -0.820 25451 9737 1 19 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.711 2.406 25451 9738 1 19 . 1 1 91 91 LYS H H 91 8.047 8.047 7.722 0.325 25451 9739 1 19 . 1 1 92 92 LEU N N 92 121.641 121.641 120.360 1.281 25451 9740 1 19 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.359 -0.406 25451 9741 1 19 . 1 1 92 92 LEU C C 92 177.518 177.518 177.278 0.240 25451 9742 1 19 . 1 1 92 92 LEU CA C 92 57.496 57.496 56.831 0.665 25451 9743 1 19 . 1 1 92 92 LEU CB C 92 41.170 41.170 42.859 -1.689 25451 9744 1 19 . 1 1 92 92 LEU H H 92 7.582 7.582 7.550 0.032 25451 9745 1 19 . 1 1 93 93 ASP N N 93 118.032 118.032 120.460 -2.428 25451 9746 1 19 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.283 -0.065 25451 9747 1 19 . 1 1 93 93 ASP C C 93 179.344 179.344 178.392 0.952 25451 9748 1 19 . 1 1 93 93 ASP CA C 93 57.955 57.955 57.802 0.153 25451 9749 1 19 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.182 -0.296 25451 9750 1 19 . 1 1 93 93 ASP H H 93 8.194 8.194 8.583 -0.389 25451 9751 1 19 . 1 1 94 94 GLY N N 94 107.012 107.012 106.620 0.392 25451 9752 1 19 . 1 1 94 94 GLY C C 94 176.368 176.368 175.404 0.964 25451 9753 1 19 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.410 -0.012 25451 9754 1 19 . 1 1 94 94 GLY H H 94 8.271 8.271 7.898 0.373 25451 9755 1 19 . 1 1 95 95 LEU N N 95 120.472 120.472 120.534 -0.062 25451 9756 1 19 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.275 -0.023 25451 9757 1 19 . 1 1 95 95 LEU C C 95 178.285 178.285 178.120 0.165 25451 9758 1 19 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.071 0.416 25451 9759 1 19 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.326 0.403 25451 9760 1 19 . 1 1 95 95 LEU H H 95 7.475 7.475 7.330 0.145 25451 9761 1 19 . 1 1 96 96 LEU N N 96 116.181 116.181 116.988 -0.807 25451 9762 1 19 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.056 0.204 25451 9763 1 19 . 1 1 96 96 LEU C C 96 176.186 176.186 177.065 -0.879 25451 9764 1 19 . 1 1 96 96 LEU CA C 96 54.561 54.561 57.381 -2.820 25451 9765 1 19 . 1 1 96 96 LEU CB C 96 42.271 42.271 42.777 -0.506 25451 9766 1 19 . 1 1 96 96 LEU H H 96 7.394 7.394 7.597 -0.203 25451 9767 1 20 . 1 1 5 5 SER HA H 5 4.492 4.492 4.765 -0.273 25451 9768 1 20 . 1 1 5 5 SER C C 5 176.496 176.496 175.284 1.212 25451 9769 1 20 . 1 1 5 5 SER CA C 5 59.422 59.422 56.303 3.119 25451 9770 1 20 . 1 1 5 5 SER CB C 5 64.100 64.100 65.953 -1.853 25451 9771 1 20 . 1 1 6 6 ILE N N 6 120.626 120.626 119.230 1.396 25451 9772 1 20 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.877 -0.066 25451 9773 1 20 . 1 1 6 6 ILE C C 6 176.952 176.952 176.758 0.194 25451 9774 1 20 . 1 1 6 6 ILE CA C 6 64.100 64.100 64.022 0.078 25451 9775 1 20 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.701 -0.291 25451 9776 1 20 . 1 1 6 6 ILE H H 6 9.168 9.168 8.536 0.632 25451 9777 1 20 . 1 1 7 7 ALA N N 7 122.320 122.320 123.137 -0.817 25451 9778 1 20 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.777 0.117 25451 9779 1 20 . 1 1 7 7 ALA C C 7 179.837 179.837 179.670 0.167 25451 9780 1 20 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.900 0.303 25451 9781 1 20 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.803 0.345 25451 9782 1 20 . 1 1 7 7 ALA H H 7 7.882 7.882 8.376 -0.494 25451 9783 1 20 . 1 1 8 8 SER N N 8 110.329 110.329 113.505 -3.176 25451 9784 1 20 . 1 1 8 8 SER HA H 8 4.227 4.227 4.144 0.083 25451 9785 1 20 . 1 1 8 8 SER C C 8 177.409 177.409 176.777 0.632 25451 9786 1 20 . 1 1 8 8 SER CA C 8 60.156 60.156 61.914 -1.758 25451 9787 1 20 . 1 1 8 8 SER CB C 8 62.908 62.908 63.093 -0.185 25451 9788 1 20 . 1 1 8 8 SER H H 8 7.647 7.647 8.149 -0.502 25451 9789 1 20 . 1 1 9 9 MET N N 9 122.133 122.133 121.336 0.797 25451 9790 1 20 . 1 1 9 9 MET HA H 9 4.127 4.127 4.122 0.005 25451 9791 1 20 . 1 1 9 9 MET C C 9 180.841 180.841 178.407 2.434 25451 9792 1 20 . 1 1 9 9 MET CA C 9 59.147 59.147 58.894 0.253 25451 9793 1 20 . 1 1 9 9 MET CB C 9 35.025 35.025 32.433 2.592 25451 9794 1 20 . 1 1 9 9 MET H H 9 7.787 7.787 7.679 0.108 25451 9795 1 20 . 1 1 10 10 ILE N N 10 115.009 115.009 117.606 -2.597 25451 9796 1 20 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.831 -0.069 25451 9797 1 20 . 1 1 10 10 ILE C C 10 174.981 174.981 177.182 -2.201 25451 9798 1 20 . 1 1 10 10 ILE CA C 10 65.293 65.293 62.286 3.007 25451 9799 1 20 . 1 1 10 10 ILE CB C 10 37.776 37.776 35.961 1.815 25451 9800 1 20 . 1 1 10 10 ILE H H 10 8.315 8.315 7.628 0.687 25451 9801 1 20 . 1 1 11 11 LYS N N 11 117.153 117.153 117.975 -0.822 25451 9802 1 20 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.341 0.168 25451 9803 1 20 . 1 1 11 11 LYS C C 11 177.774 177.774 177.933 -0.159 25451 9804 1 20 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.176 -1.697 25451 9805 1 20 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.205 0.068 25451 9806 1 20 . 1 1 11 11 LYS H H 11 6.877 6.877 7.558 -0.681 25451 9807 1 20 . 1 1 12 12 GLY N N 12 106.134 106.134 107.211 -1.077 25451 9808 1 20 . 1 1 12 12 GLY C C 12 172.553 172.553 174.711 -2.158 25451 9809 1 20 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.229 1.077 25451 9810 1 20 . 1 1 12 12 GLY H H 12 7.757 7.757 8.009 -0.252 25451 9811 1 20 . 1 1 13 13 ASN N N 13 115.402 115.402 116.709 -1.307 25451 9812 1 20 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.832 -0.240 25451 9813 1 20 . 1 1 13 13 ASN C C 13 174.068 174.068 174.189 -0.121 25451 9814 1 20 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.485 -2.326 25451 9815 1 20 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.583 -0.688 25451 9816 1 20 . 1 1 13 13 ASN H H 13 7.214 7.214 7.395 -0.181 25451 9817 1 20 . 1 1 14 14 LYS N N 14 122.033 122.033 121.241 0.792 25451 9818 1 20 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.256 -0.187 25451 9819 1 20 . 1 1 14 14 LYS C C 14 176.533 176.533 175.925 0.608 25451 9820 1 20 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.727 1.246 25451 9821 1 20 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.451 -1.911 25451 9822 1 20 . 1 1 14 14 LYS H H 14 8.351 8.351 8.440 -0.089 25451 9823 1 20 . 1 1 15 15 VAL N N 15 117.450 117.450 117.733 -0.283 25451 9824 1 20 . 1 1 15 15 VAL HA H 15 5.024 5.024 4.997 0.027 25451 9825 1 20 . 1 1 15 15 VAL C C 15 174.543 174.543 174.372 0.171 25451 9826 1 20 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.810 -0.470 25451 9827 1 20 . 1 1 15 15 VAL CB C 15 32.732 32.732 34.590 -1.858 25451 9828 1 20 . 1 1 15 15 VAL H H 15 8.021 8.021 7.471 0.550 25451 9829 1 20 . 1 1 16 16 VAL N N 16 128.604 128.604 127.547 1.057 25451 9830 1 20 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.115 -0.224 25451 9831 1 20 . 1 1 16 16 VAL C C 16 173.922 173.922 174.752 -0.830 25451 9832 1 20 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.249 1.100 25451 9833 1 20 . 1 1 16 16 VAL CB C 16 35.208 35.208 34.359 0.848 25451 9834 1 20 . 1 1 16 16 VAL H H 16 8.909 8.909 9.038 -0.129 25451 9835 1 20 . 1 1 17 17 VAL N N 17 126.814 126.814 125.358 1.456 25451 9836 1 20 . 1 1 17 17 VAL HA H 17 5.015 5.015 4.960 0.055 25451 9837 1 20 . 1 1 17 17 VAL C C 17 173.593 173.593 174.255 -0.662 25451 9838 1 20 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.020 -0.139 25451 9839 1 20 . 1 1 17 17 VAL CB C 17 35.483 35.483 36.090 -0.607 25451 9840 1 20 . 1 1 17 17 VAL H H 17 8.359 8.359 8.636 -0.277 25451 9841 1 20 . 1 1 18 18 PHE N N 18 125.697 125.697 123.816 1.881 25451 9842 1 20 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.388 0.026 25451 9843 1 20 . 1 1 18 18 PHE C C 18 175.364 175.364 175.172 0.192 25451 9844 1 20 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.568 0.561 25451 9845 1 20 . 1 1 18 18 PHE CB C 18 39.336 39.336 40.985 -1.649 25451 9846 1 20 . 1 1 18 18 PHE H H 18 9.015 9.015 8.199 0.816 25451 9847 1 20 . 1 1 19 19 SER N N 19 120.570 120.570 116.531 4.039 25451 9848 1 20 . 1 1 19 19 SER HA H 19 5.215 5.215 5.005 0.210 25451 9849 1 20 . 1 1 19 19 SER C C 19 173.539 173.539 173.040 0.499 25451 9850 1 20 . 1 1 19 19 SER CA C 19 57.863 57.863 57.072 0.791 25451 9851 1 20 . 1 1 19 19 SER CB C 19 69.512 69.512 66.933 2.579 25451 9852 1 20 . 1 1 19 19 SER H H 19 9.137 9.137 8.920 0.217 25451 9853 1 20 . 1 1 20 20 TRP N N 20 122.520 122.520 120.194 2.326 25451 9854 1 20 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.072 0.873 25451 9855 1 20 . 1 1 20 20 TRP C C 20 178.030 178.030 176.796 1.234 25451 9856 1 20 . 1 1 20 20 TRP CA C 20 54.011 54.011 55.868 -1.857 25451 9857 1 20 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.032 2.158 25451 9858 1 20 . 1 1 20 20 TRP H H 20 8.520 8.520 8.606 -0.086 25451 9859 1 20 . 1 1 21 21 VAL N N 21 124.864 124.864 121.225 3.639 25451 9860 1 20 . 1 1 21 21 VAL C C 21 177.208 177.208 175.931 1.277 25451 9861 1 20 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.946 2.438 25451 9862 1 20 . 1 1 21 21 VAL CB C 21 32.273 32.273 33.023 -0.750 25451 9863 1 20 . 1 1 21 21 VAL H H 21 9.956 9.956 8.528 1.428 25451 9864 1 20 . 1 1 22 22 THR HA H 22 4.542 4.542 4.733 -0.191 25451 9865 1 20 . 1 1 22 22 THR C C 22 174.269 174.269 174.112 0.157 25451 9866 1 20 . 1 1 22 22 THR CA C 22 60.982 60.982 63.567 -2.585 25451 9867 1 20 . 1 1 22 22 THR CB C 22 69.237 69.237 69.146 0.091 25451 9868 1 20 . 1 1 23 23 CYS N N 23 127.689 127.689 126.880 0.809 25451 9869 1 20 . 1 1 23 23 CYS C C 23 175.054 175.054 174.021 1.033 25451 9870 1 20 . 1 1 23 23 CYS CA C 23 56.396 56.396 56.065 0.331 25451 9871 1 20 . 1 1 23 23 CYS CB C 23 32.273 32.273 29.630 2.643 25451 9872 1 20 . 1 1 23 23 CYS H H 23 7.013 7.013 8.859 -1.846 25451 9873 1 20 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.194 0.107 25451 9874 1 20 . 1 1 24 24 PRO C C 24 180.202 180.202 177.491 2.711 25451 9875 1 20 . 1 1 24 24 PRO CA C 24 64.467 64.467 65.125 -0.658 25451 9876 1 20 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.667 0.515 25451 9877 1 20 . 1 1 25 25 TYR N N 25 126.810 126.810 117.823 8.987 25451 9878 1 20 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.553 -0.243 25451 9879 1 20 . 1 1 25 25 TYR C C 25 178.632 178.632 178.116 0.516 25451 9880 1 20 . 1 1 25 25 TYR CA C 25 61.715 61.715 60.424 1.291 25451 9881 1 20 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.437 0.339 25451 9882 1 20 . 1 1 25 25 TYR H H 25 9.569 9.569 7.975 1.594 25451 9883 1 20 . 1 1 26 26 CYS N N 26 127.984 127.984 119.382 8.602 25451 9884 1 20 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.219 -0.200 25451 9885 1 20 . 1 1 26 26 CYS C C 26 176.642 176.642 177.206 -0.564 25451 9886 1 20 . 1 1 26 26 CYS CA C 26 64.559 64.559 63.028 1.531 25451 9887 1 20 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.667 1.571 25451 9888 1 20 . 1 1 26 26 CYS H H 26 9.239 9.239 8.599 0.640 25451 9889 1 20 . 1 1 27 27 VAL N N 27 121.054 121.054 120.458 0.596 25451 9890 1 20 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.688 -0.101 25451 9891 1 20 . 1 1 27 27 VAL C C 27 178.614 178.614 177.002 1.612 25451 9892 1 20 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.430 0.330 25451 9893 1 20 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.526 0.564 25451 9894 1 20 . 1 1 27 27 VAL H H 27 8.402 8.402 7.932 0.470 25451 9895 1 20 . 1 1 28 28 ARG N N 28 119.686 119.686 118.873 0.813 25451 9896 1 20 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.970 -0.009 25451 9897 1 20 . 1 1 28 28 ARG C C 28 178.742 178.742 178.353 0.389 25451 9898 1 20 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.839 -0.233 25451 9899 1 20 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.838 0.784 25451 9900 1 20 . 1 1 28 28 ARG H H 28 7.655 7.655 8.234 -0.579 25451 9901 1 20 . 1 1 29 29 ALA N N 29 122.324 122.324 122.243 0.081 25451 9902 1 20 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.060 -0.049 25451 9903 1 20 . 1 1 29 29 ALA C C 29 178.906 178.906 179.502 -0.596 25451 9904 1 20 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.169 -0.057 25451 9905 1 20 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.373 0.234 25451 9906 1 20 . 1 1 29 29 ALA H H 29 8.175 8.175 7.817 0.358 25451 9907 1 20 . 1 1 30 30 GLU N N 30 117.151 117.151 118.305 -1.154 25451 9908 1 20 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.986 -0.449 25451 9909 1 20 . 1 1 30 30 GLU C C 30 178.030 178.030 179.242 -1.212 25451 9910 1 20 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.479 1.136 25451 9911 1 20 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.535 -0.013 25451 9912 1 20 . 1 1 30 30 GLU H H 30 8.689 8.689 8.549 0.140 25451 9913 1 20 . 1 1 31 31 LYS N N 31 119.597 119.597 120.377 -0.780 25451 9914 1 20 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.127 -0.091 25451 9915 1 20 . 1 1 31 31 LYS C C 31 179.746 179.746 178.912 0.834 25451 9916 1 20 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.285 0.504 25451 9917 1 20 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.684 -0.136 25451 9918 1 20 . 1 1 31 31 LYS H H 31 8.359 8.359 7.944 0.415 25451 9919 1 20 . 1 1 32 32 LEU N N 32 121.147 121.147 121.476 -0.329 25451 9920 1 20 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.061 -0.009 25451 9921 1 20 . 1 1 32 32 LEU C C 32 179.198 179.198 178.889 0.309 25451 9922 1 20 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.892 0.613 25451 9923 1 20 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.309 0.869 25451 9924 1 20 . 1 1 32 32 LEU H H 32 7.610 7.610 8.025 -0.415 25451 9925 1 20 . 1 1 33 33 LEU N N 33 118.120 118.120 117.963 0.157 25451 9926 1 20 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.745 0.017 25451 9927 1 20 . 1 1 33 33 LEU C C 33 179.234 179.234 178.779 0.455 25451 9928 1 20 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.538 -0.124 25451 9929 1 20 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.588 0.866 25451 9930 1 20 . 1 1 33 33 LEU H H 33 7.904 7.904 8.709 -0.805 25451 9931 1 20 . 1 1 34 34 HIS N N 34 117.939 117.939 117.330 0.609 25451 9932 1 20 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.378 0.255 25451 9933 1 20 . 1 1 34 34 HIS C C 34 176.879 176.879 177.960 -1.081 25451 9934 1 20 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.457 -0.035 25451 9935 1 20 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.961 0.111 25451 9936 1 20 . 1 1 34 34 HIS H H 34 8.876 8.876 7.714 1.162 25451 9937 1 20 . 1 1 35 35 ALA N N 35 118.133 118.133 122.502 -4.369 25451 9938 1 20 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.204 0.081 25451 9939 1 20 . 1 1 35 35 ALA C C 35 178.395 178.395 178.797 -0.402 25451 9940 1 20 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.357 -1.172 25451 9941 1 20 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.918 -0.403 25451 9942 1 20 . 1 1 35 35 ALA H H 35 7.229 7.229 8.076 -0.847 25451 9943 1 20 . 1 1 36 36 ARG N N 36 115.692 115.692 115.321 0.371 25451 9944 1 20 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.560 -0.118 25451 9945 1 20 . 1 1 36 36 ARG C C 36 175.693 175.693 175.675 0.018 25451 9946 1 20 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.190 0.555 25451 9947 1 20 . 1 1 36 36 ARG CB C 36 32.548 32.548 29.685 2.863 25451 9948 1 20 . 1 1 36 36 ARG H H 36 7.647 7.647 7.971 -0.324 25451 9949 1 20 . 1 1 37 37 THR N N 37 114.964 114.964 109.271 5.693 25451 9950 1 20 . 1 1 37 37 THR HA H 37 4.651 4.651 3.780 0.871 25451 9951 1 20 . 1 1 37 37 THR C C 37 170.636 170.636 173.565 -2.929 25451 9952 1 20 . 1 1 37 37 THR CA C 37 60.523 60.523 63.450 -2.927 25451 9953 1 20 . 1 1 37 37 THR CB C 37 68.870 68.870 67.178 1.692 25451 9954 1 20 . 1 1 37 37 THR H H 37 8.087 8.087 7.835 0.252 25451 9955 1 20 . 1 1 38 38 LYS N N 38 121.835 121.835 122.433 -0.598 25451 9956 1 20 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.137 0.530 25451 9957 1 20 . 1 1 38 38 LYS C C 38 178.139 178.139 175.826 2.313 25451 9958 1 20 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.803 -0.508 25451 9959 1 20 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.372 0.360 25451 9960 1 20 . 1 1 38 38 LYS H H 38 8.299 8.299 7.909 0.390 25451 9961 1 20 . 1 1 39 39 ASP N N 39 128.517 128.517 125.436 3.081 25451 9962 1 20 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.404 0.479 25451 9963 1 20 . 1 1 39 39 ASP C C 39 172.754 172.754 174.880 -2.126 25451 9964 1 20 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.910 -0.806 25451 9965 1 20 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.925 0.062 25451 9966 1 20 . 1 1 39 39 ASP H H 39 8.823 8.823 8.540 0.283 25451 9967 1 20 . 1 1 40 40 ILE N N 40 116.959 116.959 124.671 -7.712 25451 9968 1 20 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.603 0.670 25451 9969 1 20 . 1 1 40 40 ILE C C 40 174.470 174.470 174.552 -0.082 25451 9970 1 20 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.447 -2.409 25451 9971 1 20 . 1 1 40 40 ILE CB C 40 41.720 41.720 40.922 0.798 25451 9972 1 20 . 1 1 40 40 ILE H H 40 7.273 7.273 7.630 -0.357 25451 9973 1 20 . 1 1 41 41 THR N N 41 125.545 125.545 124.543 1.002 25451 9974 1 20 . 1 1 41 41 THR HA H 41 4.260 4.260 4.659 -0.399 25451 9975 1 20 . 1 1 41 41 THR C C 41 171.476 171.476 172.306 -0.830 25451 9976 1 20 . 1 1 41 41 THR CA C 41 61.807 61.807 61.376 0.431 25451 9977 1 20 . 1 1 41 41 THR CB C 41 72.172 72.172 70.438 1.734 25451 9978 1 20 . 1 1 41 41 THR H H 41 8.564 8.564 8.741 -0.177 25451 9979 1 20 . 1 1 42 42 VAL N N 42 126.913 126.913 127.056 -0.143 25451 9980 1 20 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.760 -0.517 25451 9981 1 20 . 1 1 42 42 VAL C C 42 174.086 174.086 174.284 -0.198 25451 9982 1 20 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.387 0.861 25451 9983 1 20 . 1 1 42 42 VAL CB C 42 32.824 32.824 33.435 -0.612 25451 9984 1 20 . 1 1 42 42 VAL H H 42 8.271 8.271 8.397 -0.126 25451 9985 1 20 . 1 1 43 43 HIS N N 43 127.392 127.392 129.030 -1.638 25451 9986 1 20 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.737 -0.170 25451 9987 1 20 . 1 1 43 43 HIS C C 43 174.543 174.543 173.507 1.036 25451 9988 1 20 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.153 -0.049 25451 9989 1 20 . 1 1 43 43 HIS CB C 43 31.815 31.815 31.743 0.072 25451 9990 1 20 . 1 1 43 43 HIS H H 43 8.829 8.829 8.790 0.039 25451 9991 1 20 . 1 1 44 44 TYR N N 44 126.221 126.221 127.271 -1.050 25451 9992 1 20 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.978 0.228 25451 9993 1 20 . 1 1 44 44 TYR C C 44 177.865 177.865 176.364 1.501 25451 9994 1 20 . 1 1 44 44 TYR CA C 44 57.313 57.313 55.939 1.374 25451 9995 1 20 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.366 -1.516 25451 9996 1 20 . 1 1 44 44 TYR H H 44 8.938 8.938 9.007 -0.069 25451 9997 1 20 . 1 1 45 45 VAL N N 45 120.086 120.086 120.454 -0.368 25451 9998 1 20 . 1 1 45 45 VAL HA H 45 4.351 4.351 3.909 0.442 25451 9999 1 20 . 1 1 45 45 VAL C C 45 176.952 176.952 176.444 0.508 25451 10000 1 20 . 1 1 45 45 VAL CA C 45 63.917 63.917 63.719 0.198 25451 10001 1 20 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.509 -0.245 25451 10002 1 20 . 1 1 45 45 VAL H H 45 9.037 9.037 8.440 0.597 25451 10003 1 20 . 1 1 46 46 ASP N N 46 118.427 118.427 119.466 -1.039 25451 10004 1 20 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.720 -0.311 25451 10005 1 20 . 1 1 46 46 ASP C C 46 176.989 176.989 177.024 -0.035 25451 10006 1 20 . 1 1 46 46 ASP CA C 46 54.745 54.745 54.824 -0.079 25451 10007 1 20 . 1 1 46 46 ASP CB C 46 36.859 36.859 41.543 -4.684 25451 10008 1 20 . 1 1 46 46 ASP H H 46 10.711 10.711 8.569 2.142 25451 10009 1 20 . 1 1 47 47 LYS N N 47 119.396 119.396 118.805 0.591 25451 10010 1 20 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.186 0.356 25451 10011 1 20 . 1 1 47 47 LYS C C 47 176.350 176.350 177.055 -0.705 25451 10012 1 20 . 1 1 47 47 LYS CA C 47 55.020 55.020 57.547 -2.526 25451 10013 1 20 . 1 1 47 47 LYS CB C 47 32.640 32.640 32.491 0.149 25451 10014 1 20 . 1 1 47 47 LYS H H 47 7.801 7.801 7.844 -0.043 25451 10015 1 20 . 1 1 48 48 MET N N 48 118.957 118.957 120.264 -1.307 25451 10016 1 20 . 1 1 48 48 MET C C 48 177.500 177.500 176.829 0.671 25451 10017 1 20 . 1 1 48 48 MET CA C 48 54.928 54.928 54.349 0.579 25451 10018 1 20 . 1 1 48 48 MET CB C 48 36.492 36.492 32.934 3.558 25451 10019 1 20 . 1 1 48 48 MET H H 48 7.331 7.331 8.046 -0.715 25451 10020 1 20 . 1 1 49 49 SER HA H 49 4.260 4.260 4.171 0.089 25451 10021 1 20 . 1 1 49 49 SER C C 49 176.898 176.898 176.593 0.305 25451 10022 1 20 . 1 1 49 49 SER CA C 49 61.899 61.899 61.189 0.710 25451 10023 1 20 . 1 1 50 50 GLU N N 50 121.350 121.350 121.924 -0.574 25451 10024 1 20 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.165 0.585 25451 10025 1 20 . 1 1 50 50 GLU C C 50 176.971 176.971 178.546 -1.575 25451 10026 1 20 . 1 1 50 50 GLU CA C 50 56.487 56.487 57.503 -1.016 25451 10027 1 20 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.434 -1.196 25451 10028 1 20 . 1 1 50 50 GLU H H 50 10.024 10.024 8.780 1.244 25451 10029 1 20 . 1 1 51 51 GLY N N 51 109.546 109.546 107.721 1.825 25451 10030 1 20 . 1 1 51 51 GLY C C 51 175.602 175.602 175.803 -0.201 25451 10031 1 20 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.019 1.856 25451 10032 1 20 . 1 1 51 51 GLY H H 51 8.124 8.124 8.107 0.017 25451 10033 1 20 . 1 1 52 52 GLU N N 52 120.614 120.614 121.264 -0.650 25451 10034 1 20 . 1 1 52 52 GLU HA H 52 4.202 4.202 3.963 0.239 25451 10035 1 20 . 1 1 52 52 GLU C C 52 180.056 180.056 178.737 1.319 25451 10036 1 20 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.095 0.327 25451 10037 1 20 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.420 -0.449 25451 10038 1 20 . 1 1 52 52 GLU H H 52 8.821 8.821 8.101 0.720 25451 10039 1 20 . 1 1 53 53 GLN N N 53 123.591 123.591 119.792 3.799 25451 10040 1 20 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.055 0.089 25451 10041 1 20 . 1 1 53 53 GLN C C 53 179.600 179.600 178.027 1.573 25451 10042 1 20 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.989 0.067 25451 10043 1 20 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.743 -1.056 25451 10044 1 20 . 1 1 53 53 GLN H H 53 8.117 8.117 8.364 -0.247 25451 10045 1 20 . 1 1 54 54 LEU N N 54 120.960 120.960 119.565 1.395 25451 10046 1 20 . 1 1 54 54 LEU HA H 54 4.011 4.011 4.068 -0.057 25451 10047 1 20 . 1 1 54 54 LEU C C 54 179.417 179.417 179.359 0.058 25451 10048 1 20 . 1 1 54 54 LEU CA C 54 57.863 57.863 56.800 1.063 25451 10049 1 20 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.752 -0.316 25451 10050 1 20 . 1 1 54 54 LEU H H 54 8.249 8.249 7.537 0.712 25451 10051 1 20 . 1 1 55 55 ARG N N 55 118.038 118.038 119.420 -1.382 25451 10052 1 20 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.966 -0.171 25451 10053 1 20 . 1 1 55 55 ARG C C 55 180.439 180.439 179.098 1.341 25451 10054 1 20 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.922 0.693 25451 10055 1 20 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.950 -0.428 25451 10056 1 20 . 1 1 55 55 ARG H H 55 8.402 8.402 8.665 -0.263 25451 10057 1 20 . 1 1 56 56 GLY N N 56 110.675 110.675 107.304 3.371 25451 10058 1 20 . 1 1 56 56 GLY C C 56 176.350 176.350 176.158 0.192 25451 10059 1 20 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.129 0.095 25451 10060 1 20 . 1 1 56 56 GLY H H 56 8.376 8.376 8.108 0.268 25451 10061 1 20 . 1 1 57 57 GLU N N 57 124.469 124.469 122.057 2.412 25451 10062 1 20 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.013 0.064 25451 10063 1 20 . 1 1 57 57 GLU C C 57 180.184 180.184 179.272 0.912 25451 10064 1 20 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.972 0.634 25451 10065 1 20 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.126 0.854 25451 10066 1 20 . 1 1 57 57 GLU H H 57 8.146 8.146 7.646 0.500 25451 10067 1 20 . 1 1 58 58 ILE N N 58 121.352 121.352 120.306 1.046 25451 10068 1 20 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.771 -0.084 25451 10069 1 20 . 1 1 58 58 ILE C C 58 178.030 178.030 177.780 0.250 25451 10070 1 20 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.241 0.327 25451 10071 1 20 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.856 0.471 25451 10072 1 20 . 1 1 58 58 ILE H H 58 8.201 8.201 7.456 0.745 25451 10073 1 20 . 1 1 59 59 TYR N N 59 121.934 121.934 121.313 0.621 25451 10074 1 20 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.364 -0.229 25451 10075 1 20 . 1 1 59 59 TYR C C 59 178.322 178.322 178.501 -0.179 25451 10076 1 20 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.782 0.209 25451 10077 1 20 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.750 -0.790 25451 10078 1 20 . 1 1 59 59 TYR H H 59 8.256 8.256 8.636 -0.380 25451 10079 1 20 . 1 1 60 60 GLN N N 60 119.694 119.694 117.097 2.597 25451 10080 1 20 . 1 1 60 60 GLN HA H 60 3.679 3.679 4.027 -0.348 25451 10081 1 20 . 1 1 60 60 GLN C C 60 177.336 177.336 177.145 0.191 25451 10082 1 20 . 1 1 60 60 GLN CA C 60 58.780 58.780 57.982 0.798 25451 10083 1 20 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.253 0.260 25451 10084 1 20 . 1 1 60 60 GLN H H 60 8.512 8.512 8.503 0.009 25451 10085 1 20 . 1 1 61 61 ALA N N 61 117.444 117.444 120.488 -3.044 25451 10086 1 20 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.987 -0.018 25451 10087 1 20 . 1 1 61 61 ALA C C 61 179.180 179.180 178.031 1.149 25451 10088 1 20 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.458 0.278 25451 10089 1 20 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.952 0.205 25451 10090 1 20 . 1 1 61 61 ALA H H 61 7.749 7.749 7.343 0.406 25451 10091 1 20 . 1 1 62 62 TYR N N 62 113.265 113.265 115.236 -1.971 25451 10092 1 20 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.558 -0.033 25451 10093 1 20 . 1 1 62 62 TYR C C 62 175.036 175.036 175.429 -0.393 25451 10094 1 20 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.521 0.792 25451 10095 1 20 . 1 1 62 62 TYR CB C 62 38.969 38.969 39.662 -0.693 25451 10096 1 20 . 1 1 62 62 TYR H H 62 7.801 7.801 7.890 -0.089 25451 10097 1 20 . 1 1 63 63 LYS N N 63 117.584 117.584 116.940 0.644 25451 10098 1 20 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.938 0.566 25451 10099 1 20 . 1 1 63 63 LYS C C 63 173.812 173.812 174.000 -0.188 25451 10100 1 20 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.911 -0.240 25451 10101 1 20 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.668 -1.155 25451 10102 1 20 . 1 1 63 63 LYS H H 63 8.098 8.098 7.725 0.373 25451 10103 1 20 . 1 1 64 64 HIS N N 64 118.618 118.618 115.483 3.135 25451 10104 1 20 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.639 0.318 25451 10105 1 20 . 1 1 64 64 HIS C C 64 175.985 175.985 174.362 1.623 25451 10106 1 20 . 1 1 64 64 HIS CA C 64 55.754 55.754 54.893 0.861 25451 10107 1 20 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.867 1.066 25451 10108 1 20 . 1 1 64 64 HIS H H 64 6.524 6.524 7.201 -0.677 25451 10109 1 20 . 1 1 65 65 GLU N N 65 126.723 126.723 119.370 7.353 25451 10110 1 20 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.479 -0.086 25451 10111 1 20 . 1 1 65 65 GLU C C 65 175.346 175.346 176.225 -0.879 25451 10112 1 20 . 1 1 65 65 GLU CA C 65 56.946 56.946 57.081 -0.136 25451 10113 1 20 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.105 1.168 25451 10114 1 20 . 1 1 65 65 GLU H H 65 9.188 9.188 8.745 0.443 25451 10115 1 20 . 1 1 66 66 THR N N 66 108.043 108.043 108.405 -0.362 25451 10116 1 20 . 1 1 66 66 THR HA H 66 4.393 4.393 4.589 -0.196 25451 10117 1 20 . 1 1 66 66 THR C C 66 174.579 174.579 172.937 1.642 25451 10118 1 20 . 1 1 66 66 THR CA C 66 59.698 59.698 60.887 -1.189 25451 10119 1 20 . 1 1 66 66 THR CB C 66 71.071 71.071 71.892 -0.821 25451 10120 1 20 . 1 1 66 66 THR H H 66 6.296 6.296 7.555 -1.259 25451 10121 1 20 . 1 1 67 67 VAL N N 67 112.473 112.473 117.629 -5.156 25451 10122 1 20 . 1 1 67 67 VAL C C 67 173.027 173.027 174.210 -1.183 25451 10123 1 20 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.705 -4.658 25451 10124 1 20 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.585 0.596 25451 10125 1 20 . 1 1 67 67 VAL H H 67 7.688 7.688 8.696 -1.008 25451 10126 1 20 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.472 0.958 25451 10127 1 20 . 1 1 68 68 PRO C C 68 176.405 176.405 175.168 1.237 25451 10128 1 20 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.468 -0.661 25451 10129 1 20 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.436 2.405 25451 10130 1 20 . 1 1 69 69 ALA N N 69 124.309 124.309 121.625 2.684 25451 10131 1 20 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.598 0.210 25451 10132 1 20 . 1 1 69 69 ALA C C 69 175.273 175.273 176.288 -1.015 25451 10133 1 20 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.329 0.022 25451 10134 1 20 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.463 1.262 25451 10135 1 20 . 1 1 69 69 ALA H H 69 8.952 8.952 8.251 0.701 25451 10136 1 20 . 1 1 70 70 ILE N N 70 124.569 124.569 122.086 2.483 25451 10137 1 20 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.831 -0.281 25451 10138 1 20 . 1 1 70 70 ILE C C 70 172.553 172.553 174.033 -1.480 25451 10139 1 20 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.185 1.897 25451 10140 1 20 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.017 -0.948 25451 10141 1 20 . 1 1 70 70 ILE H H 70 8.447 8.447 8.087 0.360 25451 10142 1 20 . 1 1 71 71 PHE N N 71 127.490 127.490 124.940 2.550 25451 10143 1 20 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.700 -0.477 25451 10144 1 20 . 1 1 71 71 PHE C C 71 174.798 174.798 174.773 0.025 25451 10145 1 20 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.071 0.050 25451 10146 1 20 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.347 -1.260 25451 10147 1 20 . 1 1 71 71 PHE H H 71 9.219 9.219 9.190 0.029 25451 10148 1 20 . 1 1 72 72 ILE N N 72 118.614 118.614 121.841 -3.227 25451 10149 1 20 . 1 1 72 72 ILE HA H 72 5.107 5.107 5.002 0.105 25451 10150 1 20 . 1 1 72 72 ILE C C 72 177.518 177.518 176.007 1.511 25451 10151 1 20 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.499 0.024 25451 10152 1 20 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.836 0.151 25451 10153 1 20 . 1 1 72 72 ILE H H 72 8.715 8.715 9.075 -0.360 25451 10154 1 20 . 1 1 73 73 ASN N N 73 129.431 129.431 126.505 2.926 25451 10155 1 20 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.410 0.257 25451 10156 1 20 . 1 1 73 73 ASN C C 73 175.273 175.273 175.849 -0.576 25451 10157 1 20 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.513 0.048 25451 10158 1 20 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.883 0.435 25451 10159 1 20 . 1 1 73 73 ASN H H 73 10.691 10.691 9.229 1.462 25451 10160 1 20 . 1 1 74 74 GLY N N 74 104.235 104.235 103.467 0.768 25451 10161 1 20 . 1 1 74 74 GLY C C 74 172.754 172.754 174.042 -1.288 25451 10162 1 20 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.435 -0.413 25451 10163 1 20 . 1 1 74 74 GLY H H 74 9.529 9.529 8.900 0.629 25451 10164 1 20 . 1 1 75 75 ASN N N 75 119.009 119.009 119.631 -0.622 25451 10165 1 20 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.016 0.082 25451 10166 1 20 . 1 1 75 75 ASN C C 75 174.269 174.269 174.061 0.208 25451 10167 1 20 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.897 -1.271 25451 10168 1 20 . 1 1 75 75 ASN CB C 75 39.978 39.978 40.108 -0.129 25451 10169 1 20 . 1 1 75 75 ASN H H 75 8.116 8.116 8.121 -0.005 25451 10170 1 20 . 1 1 76 76 PHE N N 76 124.901 124.901 123.967 0.934 25451 10171 1 20 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.808 -1.154 25451 10172 1 20 . 1 1 76 76 PHE C C 76 175.273 175.273 174.715 0.558 25451 10173 1 20 . 1 1 76 76 PHE CA C 76 57.863 57.863 57.124 0.739 25451 10174 1 20 . 1 1 76 76 PHE CB C 76 38.877 38.877 40.183 -1.306 25451 10175 1 20 . 1 1 76 76 PHE H H 76 9.004 9.004 8.691 0.313 25451 10176 1 20 . 1 1 77 77 ILE N N 77 126.459 126.459 126.815 -0.356 25451 10177 1 20 . 1 1 77 77 ILE C C 77 174.506 174.506 172.974 1.532 25451 10178 1 20 . 1 1 77 77 ILE CA C 77 58.505 58.505 58.860 -0.355 25451 10179 1 20 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.039 -3.629 25451 10180 1 20 . 1 1 77 77 ILE H H 77 8.161 8.161 8.390 -0.229 25451 10181 1 20 . 1 1 78 78 GLY C C 78 172.005 172.005 173.420 -1.415 25451 10182 1 20 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.538 0.016 25451 10183 1 20 . 1 1 79 79 GLY N N 79 109.745 109.745 111.861 -2.116 25451 10184 1 20 . 1 1 79 79 GLY C C 79 174.981 174.981 174.163 0.818 25451 10185 1 20 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.899 -1.436 25451 10186 1 20 . 1 1 79 79 GLY H H 79 9.114 9.114 7.726 1.388 25451 10187 1 20 . 1 1 80 80 CYS N N 80 120.764 120.764 121.433 -0.669 25451 10188 1 20 . 1 1 80 80 CYS C C 80 176.533 176.533 176.660 -0.127 25451 10189 1 20 . 1 1 80 80 CYS CA C 80 63.825 63.825 62.996 0.829 25451 10190 1 20 . 1 1 80 80 CYS CB C 80 26.770 26.770 27.666 -0.896 25451 10191 1 20 . 1 1 80 80 CYS H H 80 8.571 8.571 8.748 -0.177 25451 10192 1 20 . 1 1 81 81 SER HA H 81 3.903 3.903 4.200 -0.297 25451 10193 1 20 . 1 1 81 81 SER C C 81 177.318 177.318 175.781 1.537 25451 10194 1 20 . 1 1 81 81 SER CA C 81 61.440 61.440 61.008 0.432 25451 10195 1 20 . 1 1 82 82 ASP N N 82 122.226 122.226 121.856 0.370 25451 10196 1 20 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.349 0.002 25451 10197 1 20 . 1 1 82 82 ASP C C 82 177.993 177.993 178.217 -0.224 25451 10198 1 20 . 1 1 82 82 ASP CA C 82 57.129 57.129 57.663 -0.534 25451 10199 1 20 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.524 1.013 25451 10200 1 20 . 1 1 82 82 ASP H H 82 7.060 7.060 8.162 -1.102 25451 10201 1 20 . 1 1 83 83 LEU N N 83 121.542 121.542 120.269 1.273 25451 10202 1 20 . 1 1 83 83 LEU HA H 83 3.787 3.787 4.017 -0.230 25451 10203 1 20 . 1 1 83 83 LEU C C 83 177.957 177.957 178.095 -0.138 25451 10204 1 20 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.923 -0.060 25451 10205 1 20 . 1 1 83 83 LEU CB C 83 42.087 42.087 41.983 0.104 25451 10206 1 20 . 1 1 83 83 LEU H H 83 7.793 7.793 7.838 -0.045 25451 10207 1 20 . 1 1 84 84 GLU N N 84 117.702 117.702 118.923 -1.221 25451 10208 1 20 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.890 -0.070 25451 10209 1 20 . 1 1 84 84 GLU C C 84 179.161 179.161 178.734 0.427 25451 10210 1 20 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.287 0.411 25451 10211 1 20 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.369 0.152 25451 10212 1 20 . 1 1 84 84 GLU H H 84 8.432 8.432 7.779 0.653 25451 10213 1 20 . 1 1 85 85 ALA N N 85 122.903 122.903 122.118 0.785 25451 10214 1 20 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.063 0.114 25451 10215 1 20 . 1 1 85 85 ALA C C 85 179.892 179.892 179.593 0.299 25451 10216 1 20 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.148 0.147 25451 10217 1 20 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.205 -0.424 25451 10218 1 20 . 1 1 85 85 ALA H H 85 7.890 7.890 8.210 -0.320 25451 10219 1 20 . 1 1 86 86 LEU N N 86 118.087 118.087 117.745 0.342 25451 10220 1 20 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.950 0.069 25451 10221 1 20 . 1 1 86 86 LEU C C 86 179.764 179.764 178.233 1.531 25451 10222 1 20 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.305 0.375 25451 10223 1 20 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.526 1.295 25451 10224 1 20 . 1 1 86 86 LEU H H 86 7.567 7.567 7.585 -0.018 25451 10225 1 20 . 1 1 87 87 ASP N N 87 119.239 119.239 119.974 -0.735 25451 10226 1 20 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.372 0.129 25451 10227 1 20 . 1 1 87 87 ASP C C 87 179.563 179.563 178.994 0.569 25451 10228 1 20 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.594 -0.740 25451 10229 1 20 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.764 1.232 25451 10230 1 20 . 1 1 87 87 ASP H H 87 7.985 7.985 7.655 0.330 25451 10231 1 20 . 1 1 88 88 LYS N N 88 121.741 121.741 119.818 1.923 25451 10232 1 20 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.143 -0.107 25451 10233 1 20 . 1 1 88 88 LYS C C 88 178.778 178.778 178.503 0.275 25451 10234 1 20 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.463 0.684 25451 10235 1 20 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.446 -0.264 25451 10236 1 20 . 1 1 88 88 LYS H H 88 8.461 8.461 8.198 0.263 25451 10237 1 20 . 1 1 89 89 GLU N N 89 115.496 115.496 117.312 -1.816 25451 10238 1 20 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.304 0.006 25451 10239 1 20 . 1 1 89 89 GLU C C 89 176.806 176.806 176.939 -0.133 25451 10240 1 20 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.272 -0.060 25451 10241 1 20 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.971 0.376 25451 10242 1 20 . 1 1 89 89 GLU H H 89 7.838 7.838 7.764 0.074 25451 10243 1 20 . 1 1 90 90 GLY N N 90 108.622 108.622 107.303 1.319 25451 10244 1 20 . 1 1 90 90 GLY C C 90 175.985 175.985 175.064 0.921 25451 10245 1 20 . 1 1 90 90 GLY CA C 90 46.215 46.215 45.787 0.428 25451 10246 1 20 . 1 1 90 90 GLY H H 90 7.992 7.992 7.680 0.312 25451 10247 1 20 . 1 1 91 91 LYS N N 91 117.355 117.355 118.584 -1.229 25451 10248 1 20 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.468 -0.142 25451 10249 1 20 . 1 1 91 91 LYS C C 91 177.518 177.518 177.177 0.341 25451 10250 1 20 . 1 1 91 91 LYS CA C 91 56.487 56.487 56.175 0.312 25451 10251 1 20 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.929 2.188 25451 10252 1 20 . 1 1 91 91 LYS H H 91 8.047 8.047 7.897 0.150 25451 10253 1 20 . 1 1 92 92 LEU N N 92 121.641 121.641 120.819 0.822 25451 10254 1 20 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.089 -0.136 25451 10255 1 20 . 1 1 92 92 LEU C C 92 177.518 177.518 177.348 0.170 25451 10256 1 20 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.216 0.280 25451 10257 1 20 . 1 1 92 92 LEU CB C 92 41.170 41.170 41.976 -0.806 25451 10258 1 20 . 1 1 92 92 LEU H H 92 7.582 7.582 7.470 0.112 25451 10259 1 20 . 1 1 93 93 ASP N N 93 118.032 118.032 119.577 -1.545 25451 10260 1 20 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.356 -0.138 25451 10261 1 20 . 1 1 93 93 ASP C C 93 179.344 179.344 178.102 1.242 25451 10262 1 20 . 1 1 93 93 ASP CA C 93 57.955 57.955 57.348 0.607 25451 10263 1 20 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.223 -0.337 25451 10264 1 20 . 1 1 93 93 ASP H H 93 8.194 8.194 8.489 -0.295 25451 10265 1 20 . 1 1 94 94 GLY N N 94 107.012 107.012 107.221 -0.209 25451 10266 1 20 . 1 1 94 94 GLY C C 94 176.368 176.368 175.920 0.448 25451 10267 1 20 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.140 0.258 25451 10268 1 20 . 1 1 94 94 GLY H H 94 8.271 8.271 8.533 -0.262 25451 10269 1 20 . 1 1 95 95 LEU N N 95 120.472 120.472 121.123 -0.651 25451 10270 1 20 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.210 0.042 25451 10271 1 20 . 1 1 95 95 LEU C C 95 178.285 178.285 177.512 0.773 25451 10272 1 20 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.121 0.366 25451 10273 1 20 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.213 0.516 25451 10274 1 20 . 1 1 95 95 LEU H H 95 7.475 7.475 7.217 0.258 25451 10275 1 20 . 1 1 96 96 LEU N N 96 116.181 116.181 117.335 -1.154 25451 10276 1 20 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.301 -0.041 25451 10277 1 20 . 1 1 96 96 LEU C C 96 176.186 176.186 176.975 -0.789 25451 10278 1 20 . 1 1 96 96 LEU CA C 96 54.561 54.561 54.088 0.473 25451 10279 1 20 . 1 1 96 96 LEU CB C 96 42.271 42.271 40.610 1.661 25451 10280 1 20 . 1 1 96 96 LEU H H 96 7.394 7.394 7.421 -0.027 25451 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 85 2.820 -0.335 2.817 25451 2 1 1 "Average Difference" HA 94 0.383 -0.049 0.382 25451 3 1 1 "Average Difference" C 92 1.122 -0.161 1.116 25451 4 1 1 "Average Difference" CA 92 1.238 -0.019 1.244 25451 5 1 1 "Average Difference" CB 82 1.344 -0.129 1.346 25451 6 1 1 "Average Difference" HN 85 0.686 -0.154 0.673 25451 7 1 2 "Average Difference" N 85 2.613 -0.390 2.599 25451 8 1 2 "Average Difference" HA 94 0.404 -0.058 0.402 25451 9 1 2 "Average Difference" C 92 1.139 -0.191 1.129 25451 10 1 2 "Average Difference" CA 92 1.151 -0.068 1.156 25451 11 1 2 "Average Difference" CB 82 1.258 -0.175 1.254 25451 12 1 2 "Average Difference" HN 85 0.673 -0.116 0.667 25451 13 1 3 "Average Difference" N 85 2.784 -0.399 2.772 25451 14 1 3 "Average Difference" HA 94 0.389 -0.047 0.388 25451 15 1 3 "Average Difference" C 92 1.112 -0.169 1.105 25451 16 1 3 "Average Difference" CA 92 1.213 -0.053 1.219 25451 17 1 3 "Average Difference" CB 82 1.390 -0.158 1.390 25451 18 1 3 "Average Difference" HN 85 0.720 -0.164 0.705 25451 19 1 4 "Average Difference" N 85 2.769 -0.428 2.752 25451 20 1 4 "Average Difference" HA 94 0.385 -0.065 0.381 25451 21 1 4 "Average Difference" C 92 1.128 -0.162 1.122 25451 22 1 4 "Average Difference" CA 92 1.137 0.028 1.143 25451 23 1 4 "Average Difference" CB 82 1.260 -0.187 1.254 25451 24 1 4 "Average Difference" HN 85 0.671 -0.154 0.657 25451 25 1 5 "Average Difference" N 85 2.732 -0.413 2.717 25451 26 1 5 "Average Difference" HA 94 0.388 -0.046 0.388 25451 27 1 5 "Average Difference" C 92 1.114 -0.225 1.097 25451 28 1 5 "Average Difference" CA 92 1.208 -0.122 1.208 25451 29 1 5 "Average Difference" CB 82 1.276 -0.150 1.275 25451 30 1 5 "Average Difference" HN 85 0.658 -0.126 0.649 25451 31 1 6 "Average Difference" N 85 2.745 -0.327 2.742 25451 32 1 6 "Average Difference" HA 94 0.390 -0.038 0.390 25451 33 1 6 "Average Difference" C 92 1.155 -0.242 1.136 25451 34 1 6 "Average Difference" CA 92 1.199 -0.059 1.204 25451 35 1 6 "Average Difference" CB 82 1.338 -0.143 1.338 25451 36 1 6 "Average Difference" HN 85 0.621 -0.077 0.620 25451 37 1 7 "Average Difference" N 85 2.613 -0.387 2.599 25451 38 1 7 "Average Difference" HA 94 0.391 -0.041 0.391 25451 39 1 7 "Average Difference" C 92 1.129 -0.196 1.118 25451 40 1 7 "Average Difference" CA 92 1.210 -0.088 1.214 25451 41 1 7 "Average Difference" CB 82 1.332 -0.110 1.335 25451 42 1 7 "Average Difference" HN 85 0.715 -0.140 0.705 25451 43 1 8 "Average Difference" N 85 2.784 -0.544 2.746 25451 44 1 8 "Average Difference" HA 94 0.379 -0.052 0.378 25451 45 1 8 "Average Difference" C 92 1.109 -0.170 1.102 25451 46 1 8 "Average Difference" CA 92 1.135 0.025 1.141 25451 47 1 8 "Average Difference" CB 82 1.352 -0.118 1.355 25451 48 1 8 "Average Difference" HN 85 0.670 -0.118 0.664 25451 49 1 9 "Average Difference" N 85 2.795 -0.440 2.777 25451 50 1 9 "Average Difference" HA 94 0.380 -0.063 0.377 25451 51 1 9 "Average Difference" C 92 1.124 -0.170 1.117 25451 52 1 9 "Average Difference" CA 92 1.110 -0.029 1.115 25451 53 1 9 "Average Difference" CB 82 1.317 -0.127 1.319 25451 54 1 9 "Average Difference" HN 85 0.715 -0.170 0.699 25451 55 1 10 "Average Difference" N 85 2.624 -0.487 2.594 25451 56 1 10 "Average Difference" HA 94 0.397 -0.066 0.393 25451 57 1 10 "Average Difference" C 92 1.122 -0.205 1.110 25451 58 1 10 "Average Difference" CA 92 1.144 -0.061 1.148 25451 59 1 10 "Average Difference" CB 82 1.311 -0.183 1.307 25451 60 1 10 "Average Difference" HN 85 0.713 -0.143 0.702 25451 61 1 11 "Average Difference" N 85 2.875 -0.419 2.861 25451 62 1 11 "Average Difference" HA 94 0.424 -0.059 0.422 25451 63 1 11 "Average Difference" C 92 1.084 -0.167 1.077 25451 64 1 11 "Average Difference" CA 92 1.184 -0.006 1.191 25451 65 1 11 "Average Difference" CB 82 1.238 -0.183 1.232 25451 66 1 11 "Average Difference" HN 85 0.691 -0.164 0.675 25451 67 1 12 "Average Difference" N 85 2.615 -0.467 2.588 25451 68 1 12 "Average Difference" HA 94 0.384 -0.049 0.382 25451 69 1 12 "Average Difference" C 92 1.149 -0.169 1.142 25451 70 1 12 "Average Difference" CA 92 1.127 -0.006 1.133 25451 71 1 12 "Average Difference" CB 82 1.306 -0.131 1.307 25451 72 1 12 "Average Difference" HN 85 0.667 -0.104 0.663 25451 73 1 13 "Average Difference" N 85 2.929 -0.267 2.934 25451 74 1 13 "Average Difference" HA 94 0.386 -0.045 0.386 25451 75 1 13 "Average Difference" C 92 1.112 -0.221 1.096 25451 76 1 13 "Average Difference" CA 92 1.206 -0.026 1.213 25451 77 1 13 "Average Difference" CB 82 1.373 -0.144 1.374 25451 78 1 13 "Average Difference" HN 85 0.681 -0.092 0.678 25451 79 1 14 "Average Difference" N 85 2.656 -0.442 2.634 25451 80 1 14 "Average Difference" HA 94 0.406 -0.024 0.408 25451 81 1 14 "Average Difference" C 92 1.197 -0.218 1.183 25451 82 1 14 "Average Difference" CA 92 1.144 -0.019 1.150 25451 83 1 14 "Average Difference" CB 82 1.324 -0.115 1.328 25451 84 1 14 "Average Difference" HN 85 0.708 -0.153 0.695 25451 85 1 15 "Average Difference" N 85 2.722 -0.339 2.717 25451 86 1 15 "Average Difference" HA 94 0.386 -0.050 0.385 25451 87 1 15 "Average Difference" C 92 1.149 -0.225 1.133 25451 88 1 15 "Average Difference" CA 92 1.182 -0.122 1.182 25451 89 1 15 "Average Difference" CB 82 1.381 -0.119 1.384 25451 90 1 15 "Average Difference" HN 85 0.698 -0.141 0.687 25451 91 1 16 "Average Difference" N 85 2.614 -0.549 2.571 25451 92 1 16 "Average Difference" HA 94 0.408 -0.030 0.409 25451 93 1 16 "Average Difference" C 92 1.145 -0.219 1.130 25451 94 1 16 "Average Difference" CA 92 1.217 -0.088 1.221 25451 95 1 16 "Average Difference" CB 82 1.394 -0.125 1.397 25451 96 1 16 "Average Difference" HN 85 0.680 -0.137 0.670 25451 97 1 17 "Average Difference" N 85 2.544 -0.404 2.527 25451 98 1 17 "Average Difference" HA 94 0.397 -0.044 0.397 25451 99 1 17 "Average Difference" C 92 1.129 -0.216 1.115 25451 100 1 17 "Average Difference" CA 92 1.112 -0.038 1.118 25451 101 1 17 "Average Difference" CB 82 1.249 -0.122 1.251 25451 102 1 17 "Average Difference" HN 85 0.659 -0.114 0.652 25451 103 1 18 "Average Difference" N 85 2.632 -0.355 2.623 25451 104 1 18 "Average Difference" HA 94 0.394 -0.057 0.392 25451 105 1 18 "Average Difference" C 92 1.096 -0.186 1.086 25451 106 1 18 "Average Difference" CA 92 1.090 -0.015 1.096 25451 107 1 18 "Average Difference" CB 82 1.315 -0.161 1.313 25451 108 1 18 "Average Difference" HN 85 0.644 -0.116 0.637 25451 109 1 19 "Average Difference" N 85 2.603 -0.342 2.595 25451 110 1 19 "Average Difference" HA 94 0.387 -0.035 0.388 25451 111 1 19 "Average Difference" C 92 1.140 -0.191 1.130 25451 112 1 19 "Average Difference" CA 92 1.128 -0.020 1.134 25451 113 1 19 "Average Difference" CB 82 1.335 -0.078 1.341 25451 114 1 19 "Average Difference" HN 85 0.708 -0.123 0.701 25451 115 1 20 "Average Difference" N 85 2.593 -0.434 2.571 25451 116 1 20 "Average Difference" HA 94 0.401 -0.048 0.400 25451 117 1 20 "Average Difference" C 92 1.066 -0.206 1.051 25451 118 1 20 "Average Difference" CA 92 1.186 -0.061 1.191 25451 119 1 20 "Average Difference" CB 82 1.356 -0.163 1.354 25451 120 1 20 "Average Difference" HN 85 0.653 -0.113 0.647 25451 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 25451 _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 5 5 SER HA H 5 4.492 4.492 4.511 -0.019 25451 2 1 . 1 1 5 5 SER C C 5 176.496 176.496 175.783 0.713 25451 3 1 . 1 1 5 5 SER CA C 5 59.422 59.422 57.546 1.876 25451 4 1 . 1 1 5 5 SER CB C 5 64.100 64.100 64.643 -0.543 25451 5 1 . 1 1 6 6 ILE N N 6 120.626 120.626 118.960 1.666 25451 6 1 . 1 1 6 6 ILE HA H 6 3.811 3.811 3.943 -0.132 25451 7 1 . 1 1 6 6 ILE C C 6 176.952 176.952 177.091 -0.139 25451 8 1 . 1 1 6 6 ILE CA C 6 64.100 64.100 63.688 0.412 25451 9 1 . 1 1 6 6 ILE CB C 6 37.410 37.410 37.579 -0.169 25451 10 1 . 1 1 6 6 ILE H H 6 9.168 9.168 8.445 0.723 25451 11 1 . 1 1 7 7 ALA N N 7 122.320 122.320 123.069 -0.749 25451 12 1 . 1 1 7 7 ALA HA H 7 3.894 3.894 3.870 0.024 25451 13 1 . 1 1 7 7 ALA C C 7 179.837 179.837 179.476 0.361 25451 14 1 . 1 1 7 7 ALA CA C 7 55.203 55.203 54.900 0.303 25451 15 1 . 1 1 7 7 ALA CB C 7 18.148 18.148 17.970 0.178 25451 16 1 . 1 1 7 7 ALA H H 7 7.882 7.882 8.074 -0.192 25451 17 1 . 1 1 8 8 SER N N 8 110.329 110.329 113.773 -3.444 25451 18 1 . 1 1 8 8 SER HA H 8 4.227 4.227 4.190 0.037 25451 19 1 . 1 1 8 8 SER C C 8 177.409 177.409 176.730 0.679 25451 20 1 . 1 1 8 8 SER CA C 8 60.156 60.156 61.129 -0.973 25451 21 1 . 1 1 8 8 SER CB C 8 62.908 62.908 63.091 -0.183 25451 22 1 . 1 1 8 8 SER H H 8 7.647 7.647 7.806 -0.159 25451 23 1 . 1 1 9 9 MET N N 9 122.133 122.133 120.851 1.282 25451 24 1 . 1 1 9 9 MET HA H 9 4.127 4.127 4.180 -0.053 25451 25 1 . 1 1 9 9 MET C C 9 180.841 180.841 178.179 2.662 25451 26 1 . 1 1 9 9 MET CA C 9 59.147 59.147 58.742 0.405 25451 27 1 . 1 1 9 9 MET CB C 9 35.025 35.025 32.628 2.397 25451 28 1 . 1 1 9 9 MET H H 9 7.787 7.787 7.672 0.115 25451 29 1 . 1 1 10 10 ILE N N 10 115.009 115.009 117.500 -2.491 25451 30 1 . 1 1 10 10 ILE HA H 10 3.762 3.762 3.795 -0.033 25451 31 1 . 1 1 10 10 ILE C C 10 174.981 174.981 177.322 -2.341 25451 32 1 . 1 1 10 10 ILE CA C 10 65.293 65.293 62.939 2.354 25451 33 1 . 1 1 10 10 ILE CB C 10 37.776 37.776 36.415 1.361 25451 34 1 . 1 1 10 10 ILE H H 10 8.315 8.315 7.666 0.649 25451 35 1 . 1 1 11 11 LYS N N 11 117.153 117.153 118.222 -1.069 25451 36 1 . 1 1 11 11 LYS HA H 11 4.509 4.509 4.315 0.194 25451 37 1 . 1 1 11 11 LYS C C 11 177.774 177.774 177.886 -0.112 25451 38 1 . 1 1 11 11 LYS CA C 11 55.479 55.479 57.233 -1.754 25451 39 1 . 1 1 11 11 LYS CB C 11 32.273 32.273 32.111 0.162 25451 40 1 . 1 1 11 11 LYS H H 11 6.877 6.877 7.514 -0.637 25451 41 1 . 1 1 12 12 GLY N N 12 106.134 106.134 107.617 -1.483 25451 42 1 . 1 1 12 12 GLY C C 12 172.553 172.553 174.679 -2.126 25451 43 1 . 1 1 12 12 GLY CA C 12 46.306 46.306 45.347 0.960 25451 44 1 . 1 1 12 12 GLY H H 12 7.757 7.757 7.949 -0.192 25451 45 1 . 1 1 13 13 ASN N N 13 115.402 115.402 116.679 -1.277 25451 46 1 . 1 1 13 13 ASN HA H 13 4.592 4.592 4.930 -0.338 25451 47 1 . 1 1 13 13 ASN C C 13 174.068 174.068 174.428 -0.360 25451 48 1 . 1 1 13 13 ASN CA C 13 50.159 50.159 52.197 -2.038 25451 49 1 . 1 1 13 13 ASN CB C 13 40.895 40.895 41.436 -0.541 25451 50 1 . 1 1 13 13 ASN H H 13 7.214 7.214 7.537 -0.322 25451 51 1 . 1 1 14 14 LYS N N 14 122.033 122.033 121.205 0.828 25451 52 1 . 1 1 14 14 LYS HA H 14 4.069 4.069 4.239 -0.170 25451 53 1 . 1 1 14 14 LYS C C 14 176.533 176.533 176.218 0.315 25451 54 1 . 1 1 14 14 LYS CA C 14 59.973 59.973 58.655 1.318 25451 55 1 . 1 1 14 14 LYS CB C 14 31.540 31.540 33.387 -1.847 25451 56 1 . 1 1 14 14 LYS H H 14 8.351 8.351 8.568 -0.217 25451 57 1 . 1 1 15 15 VAL N N 15 117.450 117.450 117.024 0.426 25451 58 1 . 1 1 15 15 VAL HA H 15 5.024 5.024 5.088 -0.064 25451 59 1 . 1 1 15 15 VAL C C 15 174.543 174.543 174.485 0.058 25451 60 1 . 1 1 15 15 VAL CA C 15 60.340 60.340 60.299 0.041 25451 61 1 . 1 1 15 15 VAL CB C 15 32.732 32.732 34.526 -1.794 25451 62 1 . 1 1 15 15 VAL H H 15 8.021 8.021 7.882 0.139 25451 63 1 . 1 1 16 16 VAL N N 16 128.604 128.604 127.128 1.476 25451 64 1 . 1 1 16 16 VAL HA H 16 4.891 4.891 5.064 -0.173 25451 65 1 . 1 1 16 16 VAL C C 16 173.922 173.922 174.523 -0.601 25451 66 1 . 1 1 16 16 VAL CA C 16 61.349 61.349 60.508 0.841 25451 67 1 . 1 1 16 16 VAL CB C 16 35.208 35.208 35.162 0.046 25451 68 1 . 1 1 16 16 VAL H H 16 8.909 8.909 9.045 -0.136 25451 69 1 . 1 1 17 17 VAL N N 17 126.814 126.814 124.992 1.822 25451 70 1 . 1 1 17 17 VAL HA H 17 5.015 5.015 5.063 -0.048 25451 71 1 . 1 1 17 17 VAL C C 17 173.593 173.593 174.357 -0.764 25451 72 1 . 1 1 17 17 VAL CA C 17 59.881 59.881 60.379 -0.498 25451 73 1 . 1 1 17 17 VAL CB C 17 35.483 35.483 35.826 -0.343 25451 74 1 . 1 1 17 17 VAL H H 17 8.359 8.359 8.802 -0.443 25451 75 1 . 1 1 18 18 PHE N N 18 125.697 125.697 124.839 0.858 25451 76 1 . 1 1 18 18 PHE HA H 18 5.414 5.414 5.446 -0.032 25451 77 1 . 1 1 18 18 PHE C C 18 175.364 175.364 175.257 0.107 25451 78 1 . 1 1 18 18 PHE CA C 18 57.129 57.129 56.448 0.681 25451 79 1 . 1 1 18 18 PHE CB C 18 39.336 39.336 41.599 -2.263 25451 80 1 . 1 1 18 18 PHE H H 18 9.015 9.015 9.101 -0.086 25451 81 1 . 1 1 19 19 SER N N 19 120.570 120.570 116.295 4.275 25451 82 1 . 1 1 19 19 SER HA H 19 5.215 5.215 4.889 0.326 25451 83 1 . 1 1 19 19 SER C C 19 173.539 173.539 172.659 0.880 25451 84 1 . 1 1 19 19 SER CA C 19 57.863 57.863 57.243 0.620 25451 85 1 . 1 1 19 19 SER CB C 19 69.512 69.512 66.313 3.199 25451 86 1 . 1 1 19 19 SER H H 19 9.137 9.137 9.028 0.109 25451 87 1 . 1 1 20 20 TRP N N 20 122.520 122.520 121.618 0.902 25451 88 1 . 1 1 20 20 TRP HA H 20 5.945 5.945 5.074 0.871 25451 89 1 . 1 1 20 20 TRP C C 20 178.030 178.030 175.397 2.633 25451 90 1 . 1 1 20 20 TRP CA C 20 54.011 54.011 56.169 -2.158 25451 91 1 . 1 1 20 20 TRP CB C 20 33.190 33.190 31.825 1.365 25451 92 1 . 1 1 20 20 TRP H H 20 8.520 8.520 8.597 -0.077 25451 93 1 . 1 1 21 21 VAL N N 21 124.864 124.864 122.043 2.821 25451 94 1 . 1 1 21 21 VAL C C 21 177.208 177.208 176.218 0.990 25451 95 1 . 1 1 21 21 VAL CA C 21 65.384 65.384 62.210 3.174 25451 96 1 . 1 1 21 21 VAL CB C 21 32.273 32.273 32.081 0.192 25451 97 1 . 1 1 21 21 VAL H H 21 9.956 9.956 8.163 1.793 25451 98 1 . 1 1 22 22 THR HA H 22 4.542 4.542 4.589 -0.047 25451 99 1 . 1 1 22 22 THR C C 22 174.269 174.269 173.495 0.774 25451 100 1 . 1 1 22 22 THR CA C 22 60.982 60.982 61.596 -0.614 25451 101 1 . 1 1 22 22 THR CB C 22 69.237 69.237 69.779 -0.542 25451 102 1 . 1 1 23 23 CYS N N 23 127.689 127.689 126.051 1.638 25451 103 1 . 1 1 23 23 CYS C C 23 175.054 175.054 173.898 1.156 25451 104 1 . 1 1 23 23 CYS CA C 23 56.396 56.396 55.910 0.486 25451 105 1 . 1 1 23 23 CYS CB C 23 32.273 32.273 30.059 2.214 25451 106 1 . 1 1 23 23 CYS H H 23 7.013 7.013 8.580 -1.567 25451 107 1 . 1 1 24 24 PRO HA H 24 4.301 4.301 4.277 0.024 25451 108 1 . 1 1 24 24 PRO C C 24 180.202 180.202 176.732 3.470 25451 109 1 . 1 1 24 24 PRO CA C 24 64.467 64.467 64.601 -0.134 25451 110 1 . 1 1 24 24 PRO CB C 24 32.182 32.182 31.522 0.660 25451 111 1 . 1 1 25 25 TYR N N 25 126.810 126.810 116.949 9.861 25451 112 1 . 1 1 25 25 TYR HA H 25 4.310 4.310 4.469 -0.159 25451 113 1 . 1 1 25 25 TYR C C 25 178.632 178.632 177.834 0.798 25451 114 1 . 1 1 25 25 TYR CA C 25 61.715 61.715 59.824 1.891 25451 115 1 . 1 1 25 25 TYR CB C 25 37.776 37.776 37.651 0.125 25451 116 1 . 1 1 25 25 TYR H H 25 9.569 9.569 7.570 2.000 25451 117 1 . 1 1 26 26 CYS N N 26 127.984 127.984 119.880 8.104 25451 118 1 . 1 1 26 26 CYS HA H 26 4.019 4.019 4.193 -0.174 25451 119 1 . 1 1 26 26 CYS C C 26 176.642 176.642 176.790 -0.148 25451 120 1 . 1 1 26 26 CYS CA C 26 64.559 64.559 62.688 1.871 25451 121 1 . 1 1 26 26 CYS CB C 26 28.238 28.238 26.500 1.738 25451 122 1 . 1 1 26 26 CYS H H 26 9.239 9.239 8.054 1.185 25451 123 1 . 1 1 27 27 VAL N N 27 121.054 121.054 120.478 0.576 25451 124 1 . 1 1 27 27 VAL HA H 27 3.587 3.587 3.643 -0.056 25451 125 1 . 1 1 27 27 VAL C C 27 178.614 178.614 177.099 1.515 25451 126 1 . 1 1 27 27 VAL CA C 27 66.760 66.760 66.768 -0.008 25451 127 1 . 1 1 27 27 VAL CB C 27 32.090 32.090 31.790 0.299 25451 128 1 . 1 1 27 27 VAL H H 27 8.402 8.402 7.777 0.625 25451 129 1 . 1 1 28 28 ARG N N 28 119.686 119.686 118.962 0.724 25451 130 1 . 1 1 28 28 ARG HA H 28 3.961 3.961 3.959 0.002 25451 131 1 . 1 1 28 28 ARG C C 28 178.742 178.742 178.487 0.255 25451 132 1 . 1 1 28 28 ARG CA C 28 59.606 59.606 59.589 0.017 25451 133 1 . 1 1 28 28 ARG CB C 28 30.622 30.622 29.804 0.818 25451 134 1 . 1 1 28 28 ARG H H 28 7.655 7.655 8.192 -0.537 25451 135 1 . 1 1 29 29 ALA N N 29 122.324 122.324 122.618 -0.294 25451 136 1 . 1 1 29 29 ALA HA H 29 4.011 4.011 4.080 -0.069 25451 137 1 . 1 1 29 29 ALA C C 29 178.906 178.906 179.481 -0.575 25451 138 1 . 1 1 29 29 ALA CA C 29 55.112 55.112 55.103 0.009 25451 139 1 . 1 1 29 29 ALA CB C 29 18.607 18.607 18.406 0.201 25451 140 1 . 1 1 29 29 ALA H H 29 8.175 8.175 8.112 0.063 25451 141 1 . 1 1 30 30 GLU N N 30 117.151 117.151 118.521 -1.370 25451 142 1 . 1 1 30 30 GLU HA H 30 3.537 3.537 3.953 -0.416 25451 143 1 . 1 1 30 30 GLU C C 30 178.030 178.030 179.138 -1.108 25451 144 1 . 1 1 30 30 GLU CA C 30 60.615 60.615 59.607 1.008 25451 145 1 . 1 1 30 30 GLU CB C 30 29.522 29.522 29.526 -0.004 25451 146 1 . 1 1 30 30 GLU H H 30 8.689 8.689 8.536 0.153 25451 147 1 . 1 1 31 31 LYS N N 31 119.597 119.597 120.157 -0.560 25451 148 1 . 1 1 31 31 LYS HA H 31 4.036 4.036 4.076 -0.040 25451 149 1 . 1 1 31 31 LYS C C 31 179.746 179.746 178.828 0.918 25451 150 1 . 1 1 31 31 LYS CA C 31 59.789 59.789 59.497 0.292 25451 151 1 . 1 1 31 31 LYS CB C 31 32.548 32.548 32.556 -0.008 25451 152 1 . 1 1 31 31 LYS H H 31 8.359 8.359 8.035 0.324 25451 153 1 . 1 1 32 32 LEU N N 32 121.147 121.147 121.273 -0.126 25451 154 1 . 1 1 32 32 LEU HA H 32 4.052 4.052 4.088 -0.036 25451 155 1 . 1 1 32 32 LEU C C 32 179.198 179.198 178.834 0.364 25451 156 1 . 1 1 32 32 LEU CA C 32 58.505 58.505 57.698 0.807 25451 157 1 . 1 1 32 32 LEU CB C 32 42.179 42.179 41.395 0.784 25451 158 1 . 1 1 32 32 LEU H H 32 7.610 7.610 7.743 -0.133 25451 159 1 . 1 1 33 33 LEU N N 33 118.120 118.120 118.609 -0.489 25451 160 1 . 1 1 33 33 LEU HA H 33 3.762 3.762 3.758 0.004 25451 161 1 . 1 1 33 33 LEU C C 33 179.234 179.234 178.926 0.308 25451 162 1 . 1 1 33 33 LEU CA C 33 58.414 58.414 58.527 -0.113 25451 163 1 . 1 1 33 33 LEU CB C 33 42.454 42.454 41.439 1.015 25451 164 1 . 1 1 33 33 LEU H H 33 7.904 7.904 8.641 -0.737 25451 165 1 . 1 1 34 34 HIS N N 34 117.939 117.939 117.374 0.565 25451 166 1 . 1 1 34 34 HIS HA H 34 4.633 4.633 4.352 0.281 25451 167 1 . 1 1 34 34 HIS C C 34 176.879 176.879 177.836 -0.957 25451 168 1 . 1 1 34 34 HIS CA C 34 59.422 59.422 59.382 0.040 25451 169 1 . 1 1 34 34 HIS CB C 34 30.072 30.072 29.923 0.149 25451 170 1 . 1 1 34 34 HIS H H 34 8.876 8.876 7.935 0.941 25451 171 1 . 1 1 35 35 ALA N N 35 118.133 118.133 121.916 -3.783 25451 172 1 . 1 1 35 35 ALA HA H 35 4.285 4.285 4.217 0.068 25451 173 1 . 1 1 35 35 ALA C C 35 178.395 178.395 178.831 -0.436 25451 174 1 . 1 1 35 35 ALA CA C 35 53.185 53.185 54.345 -1.160 25451 175 1 . 1 1 35 35 ALA CB C 35 18.515 18.515 18.911 -0.396 25451 176 1 . 1 1 35 35 ALA H H 35 7.229 7.229 8.064 -0.835 25451 177 1 . 1 1 36 36 ARG N N 36 115.692 115.692 115.838 -0.146 25451 178 1 . 1 1 36 36 ARG HA H 36 4.442 4.442 4.629 -0.187 25451 179 1 . 1 1 36 36 ARG C C 36 175.693 175.693 175.300 0.393 25451 180 1 . 1 1 36 36 ARG CA C 36 54.745 54.745 54.195 0.550 25451 181 1 . 1 1 36 36 ARG CB C 36 32.548 32.548 30.064 2.484 25451 182 1 . 1 1 36 36 ARG H H 36 7.647 7.647 7.920 -0.273 25451 183 1 . 1 1 37 37 THR N N 37 114.964 114.964 110.239 4.725 25451 184 1 . 1 1 37 37 THR HA H 37 4.651 4.651 3.832 0.819 25451 185 1 . 1 1 37 37 THR C C 37 170.636 170.636 173.686 -3.050 25451 186 1 . 1 1 37 37 THR CA C 37 60.523 60.523 63.531 -3.008 25451 187 1 . 1 1 37 37 THR CB C 37 68.870 68.870 66.822 2.048 25451 188 1 . 1 1 37 37 THR H H 37 8.087 8.087 7.810 0.277 25451 189 1 . 1 1 38 38 LYS N N 38 121.835 121.835 122.081 -0.246 25451 190 1 . 1 1 38 38 LYS HA H 38 4.667 4.667 4.160 0.507 25451 191 1 . 1 1 38 38 LYS C C 38 178.139 178.139 175.742 2.397 25451 192 1 . 1 1 38 38 LYS CA C 38 55.295 55.295 55.508 -0.213 25451 193 1 . 1 1 38 38 LYS CB C 38 32.732 32.732 32.157 0.575 25451 194 1 . 1 1 38 38 LYS H H 38 8.299 8.299 8.016 0.283 25451 195 1 . 1 1 39 39 ASP N N 39 128.517 128.517 126.319 2.199 25451 196 1 . 1 1 39 39 ASP HA H 39 4.883 4.883 4.444 0.439 25451 197 1 . 1 1 39 39 ASP C C 39 172.754 172.754 174.899 -2.145 25451 198 1 . 1 1 39 39 ASP CA C 39 54.103 54.103 54.794 -0.691 25451 199 1 . 1 1 39 39 ASP CB C 39 40.987 40.987 40.953 0.034 25451 200 1 . 1 1 39 39 ASP H H 39 8.823 8.823 8.438 0.385 25451 201 1 . 1 1 40 40 ILE N N 40 116.959 116.959 124.727 -7.768 25451 202 1 . 1 1 40 40 ILE HA H 40 5.273 5.273 4.861 0.412 25451 203 1 . 1 1 40 40 ILE C C 40 174.470 174.470 174.769 -0.299 25451 204 1 . 1 1 40 40 ILE CA C 40 57.038 57.038 59.098 -2.060 25451 205 1 . 1 1 40 40 ILE CB C 40 41.720 41.720 41.467 0.253 25451 206 1 . 1 1 40 40 ILE H H 40 7.273 7.273 7.712 -0.439 25451 207 1 . 1 1 41 41 THR N N 41 125.545 125.545 123.946 1.599 25451 208 1 . 1 1 41 41 THR HA H 41 4.260 4.260 4.664 -0.404 25451 209 1 . 1 1 41 41 THR C C 41 171.476 171.476 172.244 -0.768 25451 210 1 . 1 1 41 41 THR CA C 41 61.807 61.807 61.334 0.473 25451 211 1 . 1 1 41 41 THR CB C 41 72.172 72.172 70.866 1.306 25451 212 1 . 1 1 41 41 THR H H 41 8.564 8.564 8.574 -0.010 25451 213 1 . 1 1 42 42 VAL N N 42 126.913 126.913 126.508 0.405 25451 214 1 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.796 -0.553 25451 215 1 . 1 1 42 42 VAL C C 42 174.086 174.086 174.211 -0.125 25451 216 1 . 1 1 42 42 VAL CA C 42 60.248 60.248 59.435 0.813 25451 217 1 . 1 1 42 42 VAL CB C 42 32.824 32.824 34.021 -1.197 25451 218 1 . 1 1 42 42 VAL H H 42 8.271 8.271 8.395 -0.124 25451 219 1 . 1 1 43 43 HIS N N 43 127.392 127.392 128.545 -1.153 25451 220 1 . 1 1 43 43 HIS HA H 43 4.567 4.567 4.846 -0.279 25451 221 1 . 1 1 43 43 HIS C C 43 174.543 174.543 173.693 0.850 25451 222 1 . 1 1 43 43 HIS CA C 43 54.103 54.103 54.253 -0.150 25451 223 1 . 1 1 43 43 HIS CB C 43 31.815 31.815 31.877 -0.062 25451 224 1 . 1 1 43 43 HIS H H 43 8.829 8.829 8.898 -0.069 25451 225 1 . 1 1 44 44 TYR N N 44 126.221 126.221 127.237 -1.016 25451 226 1 . 1 1 44 44 TYR HA H 44 5.206 5.206 4.983 0.223 25451 227 1 . 1 1 44 44 TYR C C 44 177.865 177.865 176.813 1.052 25451 228 1 . 1 1 44 44 TYR CA C 44 57.313 57.313 56.887 0.426 25451 229 1 . 1 1 44 44 TYR CB C 44 35.850 35.850 37.257 -1.407 25451 230 1 . 1 1 44 44 TYR H H 44 8.938 8.938 9.092 -0.154 25451 231 1 . 1 1 45 45 VAL N N 45 120.086 120.086 121.067 -0.981 25451 232 1 . 1 1 45 45 VAL HA H 45 4.351 4.351 3.964 0.387 25451 233 1 . 1 1 45 45 VAL C C 45 176.952 176.952 176.998 -0.046 25451 234 1 . 1 1 45 45 VAL CA C 45 63.917 63.917 64.251 -0.334 25451 235 1 . 1 1 45 45 VAL CB C 45 31.264 31.264 31.483 -0.219 25451 236 1 . 1 1 45 45 VAL H H 45 9.037 9.037 8.244 0.793 25451 237 1 . 1 1 46 46 ASP N N 46 118.427 118.427 120.163 -1.736 25451 238 1 . 1 1 46 46 ASP HA H 46 4.409 4.409 4.424 -0.015 25451 239 1 . 1 1 46 46 ASP C C 46 176.989 176.989 177.212 -0.223 25451 240 1 . 1 1 46 46 ASP CA C 46 54.745 54.745 55.994 -1.249 25451 241 1 . 1 1 46 46 ASP CB C 46 36.859 36.859 40.869 -4.010 25451 242 1 . 1 1 46 46 ASP H H 46 10.711 10.711 8.378 2.333 25451 243 1 . 1 1 47 47 LYS N N 47 119.396 119.396 117.849 1.547 25451 244 1 . 1 1 47 47 LYS HA H 47 4.542 4.542 4.275 0.267 25451 245 1 . 1 1 47 47 LYS C C 47 176.350 176.350 176.924 -0.574 25451 246 1 . 1 1 47 47 LYS CA C 47 55.020 55.020 56.871 -1.851 25451 247 1 . 1 1 47 47 LYS CB C 47 32.640 32.640 33.160 -0.520 25451 248 1 . 1 1 47 47 LYS H H 47 7.801 7.801 7.944 -0.143 25451 249 1 . 1 1 48 48 MET N N 48 118.957 118.957 119.165 -0.208 25451 250 1 . 1 1 48 48 MET C C 48 177.500 177.500 177.070 0.430 25451 251 1 . 1 1 48 48 MET CA C 48 54.928 54.928 54.991 -0.063 25451 252 1 . 1 1 48 48 MET CB C 48 36.492 36.492 34.082 2.410 25451 253 1 . 1 1 48 48 MET H H 48 7.331 7.331 7.787 -0.456 25451 254 1 . 1 1 49 49 SER HA H 49 4.260 4.260 4.187 0.073 25451 255 1 . 1 1 49 49 SER C C 49 176.898 176.898 176.474 0.424 25451 256 1 . 1 1 49 49 SER CA C 49 61.899 61.899 61.283 0.616 25451 257 1 . 1 1 50 50 GLU N N 50 121.350 121.350 121.702 -0.352 25451 258 1 . 1 1 50 50 GLU HA H 50 4.750 4.750 4.240 0.510 25451 259 1 . 1 1 50 50 GLU C C 50 176.971 176.971 178.543 -1.572 25451 260 1 . 1 1 50 50 GLU CA C 50 56.487 56.487 57.455 -0.968 25451 261 1 . 1 1 50 50 GLU CB C 50 28.238 28.238 29.377 -1.139 25451 262 1 . 1 1 50 50 GLU H H 50 10.024 10.024 8.586 1.438 25451 263 1 . 1 1 51 51 GLY N N 51 109.546 109.546 108.032 1.514 25451 264 1 . 1 1 51 51 GLY C C 51 175.602 175.602 175.851 -0.249 25451 265 1 . 1 1 51 51 GLY CA C 51 48.875 48.875 47.169 1.706 25451 266 1 . 1 1 51 51 GLY H H 51 8.124 8.124 8.097 0.027 25451 267 1 . 1 1 52 52 GLU N N 52 120.614 120.614 121.120 -0.506 25451 268 1 . 1 1 52 52 GLU HA H 52 4.202 4.202 4.061 0.141 25451 269 1 . 1 1 52 52 GLU C C 52 180.056 180.056 178.855 1.201 25451 270 1 . 1 1 52 52 GLU CA C 52 59.422 59.422 59.272 0.150 25451 271 1 . 1 1 52 52 GLU CB C 52 28.971 28.971 29.334 -0.363 25451 272 1 . 1 1 52 52 GLU H H 52 8.821 8.821 8.026 0.795 25451 273 1 . 1 1 53 53 GLN N N 53 123.591 123.591 119.431 4.160 25451 274 1 . 1 1 53 53 GLN HA H 53 4.144 4.144 4.112 0.032 25451 275 1 . 1 1 53 53 GLN C C 53 179.600 179.600 178.382 1.218 25451 276 1 . 1 1 53 53 GLN CA C 53 59.056 59.056 58.692 0.364 25451 277 1 . 1 1 53 53 GLN CB C 53 27.687 27.687 28.658 -0.971 25451 278 1 . 1 1 53 53 GLN H H 53 8.117 8.117 8.033 0.084 25451 279 1 . 1 1 54 54 LEU N N 54 120.960 120.960 119.936 1.024 25451 280 1 . 1 1 54 54 LEU HA H 54 4.011 4.011 4.027 -0.016 25451 281 1 . 1 1 54 54 LEU C C 54 179.417 179.417 179.066 0.351 25451 282 1 . 1 1 54 54 LEU CA C 54 57.863 57.863 57.004 0.859 25451 283 1 . 1 1 54 54 LEU CB C 54 40.436 40.436 40.764 -0.328 25451 284 1 . 1 1 54 54 LEU H H 54 8.249 8.249 7.747 0.502 25451 285 1 . 1 1 55 55 ARG N N 55 118.038 118.038 119.625 -1.587 25451 286 1 . 1 1 55 55 ARG HA H 55 3.795 3.795 3.927 -0.132 25451 287 1 . 1 1 55 55 ARG C C 55 180.439 180.439 178.811 1.628 25451 288 1 . 1 1 55 55 ARG CA C 55 60.615 60.615 59.747 0.868 25451 289 1 . 1 1 55 55 ARG CB C 55 29.522 29.522 29.931 -0.409 25451 290 1 . 1 1 55 55 ARG H H 55 8.402 8.402 8.576 -0.174 25451 291 1 . 1 1 56 56 GLY N N 56 110.675 110.675 107.326 3.349 25451 292 1 . 1 1 56 56 GLY C C 56 176.350 176.350 176.145 0.205 25451 293 1 . 1 1 56 56 GLY CA C 56 47.224 47.224 47.090 0.134 25451 294 1 . 1 1 56 56 GLY H H 56 8.376 8.376 8.166 0.210 25451 295 1 . 1 1 57 57 GLU N N 57 124.469 124.469 121.952 2.517 25451 296 1 . 1 1 57 57 GLU HA H 57 4.077 4.077 4.063 0.014 25451 297 1 . 1 1 57 57 GLU C C 57 180.184 180.184 179.180 1.004 25451 298 1 . 1 1 57 57 GLU CA C 57 59.606 59.606 58.757 0.849 25451 299 1 . 1 1 57 57 GLU CB C 57 29.980 29.980 29.146 0.834 25451 300 1 . 1 1 57 57 GLU H H 57 8.146 8.146 7.730 0.416 25451 301 1 . 1 1 58 58 ILE N N 58 121.352 121.352 120.427 0.925 25451 302 1 . 1 1 58 58 ILE HA H 58 3.687 3.687 3.817 -0.130 25451 303 1 . 1 1 58 58 ILE C C 58 178.030 178.030 177.714 0.316 25451 304 1 . 1 1 58 58 ILE CA C 58 65.568 65.568 65.263 0.305 25451 305 1 . 1 1 58 58 ILE CB C 58 38.327 38.327 37.884 0.443 25451 306 1 . 1 1 58 58 ILE H H 58 8.201 8.201 7.489 0.712 25451 307 1 . 1 1 59 59 TYR N N 59 121.934 121.934 120.968 0.965 25451 308 1 . 1 1 59 59 TYR HA H 59 4.135 4.135 4.315 -0.180 25451 309 1 . 1 1 59 59 TYR C C 59 178.322 178.322 178.399 -0.077 25451 310 1 . 1 1 59 59 TYR CA C 59 61.991 61.991 61.777 0.213 25451 311 1 . 1 1 59 59 TYR CB C 59 37.960 37.960 38.772 -0.812 25451 312 1 . 1 1 59 59 TYR H H 59 8.256 8.256 8.391 -0.135 25451 313 1 . 1 1 60 60 GLN N N 60 119.694 119.694 117.746 1.948 25451 314 1 . 1 1 60 60 GLN HA H 60 3.679 3.679 3.970 -0.291 25451 315 1 . 1 1 60 60 GLN C C 60 177.336 177.336 177.569 -0.233 25451 316 1 . 1 1 60 60 GLN CA C 60 58.780 58.780 58.586 0.194 25451 317 1 . 1 1 60 60 GLN CB C 60 28.513 28.513 28.377 0.136 25451 318 1 . 1 1 60 60 GLN H H 60 8.512 8.512 8.377 0.136 25451 319 1 . 1 1 61 61 ALA N N 61 117.444 117.444 120.239 -2.795 25451 320 1 . 1 1 61 61 ALA HA H 61 3.969 3.969 3.970 -0.001 25451 321 1 . 1 1 61 61 ALA C C 61 179.180 179.180 178.336 0.844 25451 322 1 . 1 1 61 61 ALA CA C 61 53.736 53.736 53.590 0.146 25451 323 1 . 1 1 61 61 ALA CB C 61 19.157 19.157 18.651 0.506 25451 324 1 . 1 1 61 61 ALA H H 61 7.749 7.749 7.448 0.301 25451 325 1 . 1 1 62 62 TYR N N 62 113.265 113.265 114.303 -1.038 25451 326 1 . 1 1 62 62 TYR HA H 62 4.525 4.525 4.531 -0.006 25451 327 1 . 1 1 62 62 TYR C C 62 175.036 175.036 175.168 -0.132 25451 328 1 . 1 1 62 62 TYR CA C 62 57.313 57.313 56.833 0.480 25451 329 1 . 1 1 62 62 TYR CB C 62 38.969 38.969 39.119 -0.150 25451 330 1 . 1 1 62 62 TYR H H 62 7.801 7.801 7.870 -0.069 25451 331 1 . 1 1 63 63 LYS N N 63 117.584 117.584 115.861 1.723 25451 332 1 . 1 1 63 63 LYS HA H 63 3.504 3.504 2.993 0.511 25451 333 1 . 1 1 63 63 LYS C C 63 173.812 173.812 174.223 -0.411 25451 334 1 . 1 1 63 63 LYS CA C 63 56.671 56.671 56.958 -0.287 25451 335 1 . 1 1 63 63 LYS CB C 63 28.513 28.513 29.230 -0.717 25451 336 1 . 1 1 63 63 LYS H H 63 8.098 8.098 7.749 0.349 25451 337 1 . 1 1 64 64 HIS N N 64 118.618 118.618 115.321 3.298 25451 338 1 . 1 1 64 64 HIS HA H 64 4.957 4.957 4.656 0.301 25451 339 1 . 1 1 64 64 HIS C C 64 175.985 175.985 174.351 1.634 25451 340 1 . 1 1 64 64 HIS CA C 64 55.754 55.754 54.969 0.785 25451 341 1 . 1 1 64 64 HIS CB C 64 34.933 34.933 33.474 1.459 25451 342 1 . 1 1 64 64 HIS H H 64 6.524 6.524 7.182 -0.658 25451 343 1 . 1 1 65 65 GLU N N 65 126.723 126.723 119.811 6.912 25451 344 1 . 1 1 65 65 GLU HA H 65 4.393 4.393 4.548 -0.155 25451 345 1 . 1 1 65 65 GLU C C 65 175.346 175.346 176.208 -0.862 25451 346 1 . 1 1 65 65 GLU CA C 65 56.946 56.946 56.756 0.190 25451 347 1 . 1 1 65 65 GLU CB C 65 32.273 32.273 31.359 0.914 25451 348 1 . 1 1 65 65 GLU H H 65 9.188 9.188 8.669 0.519 25451 349 1 . 1 1 66 66 THR N N 66 108.043 108.043 111.207 -3.164 25451 350 1 . 1 1 66 66 THR HA H 66 4.393 4.393 4.612 -0.219 25451 351 1 . 1 1 66 66 THR C C 66 174.579 174.579 173.241 1.338 25451 352 1 . 1 1 66 66 THR CA C 66 59.698 59.698 61.180 -1.482 25451 353 1 . 1 1 66 66 THR CB C 66 71.071 71.071 71.236 -0.165 25451 354 1 . 1 1 66 66 THR H H 66 6.296 6.296 7.617 -1.321 25451 355 1 . 1 1 67 67 VAL N N 67 112.473 112.473 117.607 -5.134 25451 356 1 . 1 1 67 67 VAL C C 67 173.027 173.027 174.181 -1.154 25451 357 1 . 1 1 67 67 VAL CA C 67 58.047 58.047 62.186 -4.139 25451 358 1 . 1 1 67 67 VAL CB C 67 32.182 32.182 31.599 0.583 25451 359 1 . 1 1 67 67 VAL H H 67 7.688 7.688 8.642 -0.954 25451 360 1 . 1 1 68 68 PRO HA H 68 5.430 5.430 4.471 0.959 25451 361 1 . 1 1 68 68 PRO C C 68 176.405 176.405 175.510 0.895 25451 362 1 . 1 1 68 68 PRO CA C 68 61.807 61.807 62.647 -0.840 25451 363 1 . 1 1 68 68 PRO CB C 68 34.841 34.841 32.364 2.477 25451 364 1 . 1 1 69 69 ALA N N 69 124.309 124.309 121.511 2.798 25451 365 1 . 1 1 69 69 ALA HA H 69 4.808 4.808 4.663 0.145 25451 366 1 . 1 1 69 69 ALA C C 69 175.273 175.273 176.408 -1.135 25451 367 1 . 1 1 69 69 ALA CA C 69 51.351 51.351 51.317 0.034 25451 368 1 . 1 1 69 69 ALA CB C 69 21.725 21.725 20.648 1.077 25451 369 1 . 1 1 69 69 ALA H H 69 8.952 8.952 8.114 0.838 25451 370 1 . 1 1 70 70 ILE N N 70 124.569 124.569 122.414 2.155 25451 371 1 . 1 1 70 70 ILE HA H 70 4.550 4.550 4.808 -0.258 25451 372 1 . 1 1 70 70 ILE C C 70 172.553 172.553 174.120 -1.567 25451 373 1 . 1 1 70 70 ILE CA C 70 62.082 62.082 60.294 1.788 25451 374 1 . 1 1 70 70 ILE CB C 70 40.069 40.069 41.164 -1.095 25451 375 1 . 1 1 70 70 ILE H H 70 8.447 8.447 8.168 0.279 25451 376 1 . 1 1 71 71 PHE N N 71 127.490 127.490 124.330 3.160 25451 377 1 . 1 1 71 71 PHE HA H 71 5.223 5.223 5.600 -0.377 25451 378 1 . 1 1 71 71 PHE C C 71 174.798 174.798 174.787 0.011 25451 379 1 . 1 1 71 71 PHE CA C 71 56.121 56.121 56.137 -0.016 25451 380 1 . 1 1 71 71 PHE CB C 71 42.087 42.087 43.501 -1.414 25451 381 1 . 1 1 71 71 PHE H H 71 9.219 9.219 9.267 -0.048 25451 382 1 . 1 1 72 72 ILE N N 72 118.614 118.614 121.934 -3.320 25451 383 1 . 1 1 72 72 ILE HA H 72 5.107 5.107 4.972 0.135 25451 384 1 . 1 1 72 72 ILE C C 72 177.518 177.518 176.059 1.459 25451 385 1 . 1 1 72 72 ILE CA C 72 60.523 60.523 60.471 0.051 25451 386 1 . 1 1 72 72 ILE CB C 72 40.987 40.987 40.617 0.370 25451 387 1 . 1 1 72 72 ILE H H 72 8.715 8.715 9.126 -0.411 25451 388 1 . 1 1 73 73 ASN N N 73 129.431 129.431 126.532 2.899 25451 389 1 . 1 1 73 73 ASN HA H 73 4.667 4.667 4.395 0.273 25451 390 1 . 1 1 73 73 ASN C C 73 175.273 175.273 175.747 -0.474 25451 391 1 . 1 1 73 73 ASN CA C 73 54.561 54.561 54.488 0.074 25451 392 1 . 1 1 73 73 ASN CB C 73 37.318 37.318 36.798 0.520 25451 393 1 . 1 1 73 73 ASN H H 73 10.691 10.691 9.398 1.293 25451 394 1 . 1 1 74 74 GLY N N 74 104.235 104.235 103.088 1.147 25451 395 1 . 1 1 74 74 GLY C C 74 172.754 172.754 174.207 -1.453 25451 396 1 . 1 1 74 74 GLY CA C 74 45.022 45.022 45.440 -0.418 25451 397 1 . 1 1 74 74 GLY H H 74 9.529 9.529 8.833 0.696 25451 398 1 . 1 1 75 75 ASN N N 75 119.009 119.009 119.848 -0.839 25451 399 1 . 1 1 75 75 ASN HA H 75 5.098 5.098 5.040 0.058 25451 400 1 . 1 1 75 75 ASN C C 75 174.269 174.269 174.037 0.232 25451 401 1 . 1 1 75 75 ASN CA C 75 51.626 51.626 52.680 -1.054 25451 402 1 . 1 1 75 75 ASN CB C 75 39.978 39.978 40.066 -0.088 25451 403 1 . 1 1 75 75 ASN H H 75 8.116 8.116 8.127 -0.011 25451 404 1 . 1 1 76 76 PHE N N 76 124.901 124.901 123.752 1.149 25451 405 1 . 1 1 76 76 PHE HA H 76 3.654 3.654 4.634 -0.980 25451 406 1 . 1 1 76 76 PHE C C 76 175.273 175.273 174.716 0.557 25451 407 1 . 1 1 76 76 PHE CA C 76 57.863 57.863 56.780 1.083 25451 408 1 . 1 1 76 76 PHE CB C 76 38.877 38.877 40.070 -1.193 25451 409 1 . 1 1 76 76 PHE H H 76 9.004 9.004 8.586 0.418 25451 410 1 . 1 1 77 77 ILE N N 77 126.459 126.459 126.240 0.219 25451 411 1 . 1 1 77 77 ILE C C 77 174.506 174.506 173.006 1.500 25451 412 1 . 1 1 77 77 ILE CA C 77 58.505 58.505 59.333 -0.828 25451 413 1 . 1 1 77 77 ILE CB C 77 37.410 37.410 41.732 -4.322 25451 414 1 . 1 1 77 77 ILE H H 77 8.161 8.161 8.167 -0.006 25451 415 1 . 1 1 78 78 GLY C C 78 172.005 172.005 173.301 -1.296 25451 416 1 . 1 1 78 78 GLY CA C 78 43.555 43.555 43.904 -0.349 25451 417 1 . 1 1 79 79 GLY N N 79 109.745 109.745 112.072 -2.327 25451 418 1 . 1 1 79 79 GLY C C 79 174.981 174.981 174.234 0.747 25451 419 1 . 1 1 79 79 GLY CA C 79 43.463 43.463 44.688 -1.225 25451 420 1 . 1 1 79 79 GLY H H 79 9.114 9.114 7.840 1.274 25451 421 1 . 1 1 80 80 CYS N N 80 120.764 120.764 121.753 -0.989 25451 422 1 . 1 1 80 80 CYS C C 80 176.533 176.533 176.320 0.213 25451 423 1 . 1 1 80 80 CYS CA C 80 63.825 63.825 62.234 1.591 25451 424 1 . 1 1 80 80 CYS CB C 80 26.770 26.770 27.253 -0.482 25451 425 1 . 1 1 80 80 CYS H H 80 8.571 8.571 8.809 -0.238 25451 426 1 . 1 1 81 81 SER HA H 81 3.903 3.903 4.147 -0.244 25451 427 1 . 1 1 81 81 SER C C 81 177.318 177.318 175.825 1.493 25451 428 1 . 1 1 81 81 SER CA C 81 61.440 61.440 61.606 -0.166 25451 429 1 . 1 1 82 82 ASP N N 82 122.226 122.226 121.844 0.382 25451 430 1 . 1 1 82 82 ASP HA H 82 4.351 4.351 4.387 -0.036 25451 431 1 . 1 1 82 82 ASP C C 82 177.993 177.993 178.200 -0.206 25451 432 1 . 1 1 82 82 ASP CA C 82 57.129 57.129 56.895 0.234 25451 433 1 . 1 1 82 82 ASP CB C 82 41.537 41.537 40.584 0.953 25451 434 1 . 1 1 82 82 ASP H H 82 7.060 7.060 7.975 -0.915 25451 435 1 . 1 1 83 83 LEU N N 83 121.542 121.542 120.673 0.869 25451 436 1 . 1 1 83 83 LEU HA H 83 3.787 3.787 3.990 -0.203 25451 437 1 . 1 1 83 83 LEU C C 83 177.957 177.957 178.308 -0.351 25451 438 1 . 1 1 83 83 LEU CA C 83 57.863 57.863 57.898 -0.035 25451 439 1 . 1 1 83 83 LEU CB C 83 42.087 42.087 41.997 0.090 25451 440 1 . 1 1 83 83 LEU H H 83 7.793 7.793 7.851 -0.058 25451 441 1 . 1 1 84 84 GLU N N 84 117.702 117.702 118.781 -1.079 25451 442 1 . 1 1 84 84 GLU HA H 84 3.820 3.820 3.888 -0.068 25451 443 1 . 1 1 84 84 GLU C C 84 179.161 179.161 178.755 0.406 25451 444 1 . 1 1 84 84 GLU CA C 84 59.698 59.698 59.361 0.337 25451 445 1 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.337 0.185 25451 446 1 . 1 1 84 84 GLU H H 84 8.432 8.432 8.191 0.241 25451 447 1 . 1 1 85 85 ALA N N 85 122.903 122.903 122.271 0.632 25451 448 1 . 1 1 85 85 ALA HA H 85 4.177 4.177 4.045 0.132 25451 449 1 . 1 1 85 85 ALA C C 85 179.892 179.892 179.431 0.461 25451 450 1 . 1 1 85 85 ALA CA C 85 55.295 55.295 55.175 0.120 25451 451 1 . 1 1 85 85 ALA CB C 85 17.781 17.781 18.238 -0.457 25451 452 1 . 1 1 85 85 ALA H H 85 7.890 7.890 8.073 -0.183 25451 453 1 . 1 1 86 86 LEU N N 86 118.087 118.087 118.428 -0.341 25451 454 1 . 1 1 86 86 LEU HA H 86 4.019 4.019 3.927 0.092 25451 455 1 . 1 1 86 86 LEU C C 86 179.764 179.764 178.686 1.078 25451 456 1 . 1 1 86 86 LEU CA C 86 57.680 57.680 57.353 0.327 25451 457 1 . 1 1 86 86 LEU CB C 86 42.821 42.821 41.415 1.406 25451 458 1 . 1 1 86 86 LEU H H 86 7.567 7.567 7.610 -0.043 25451 459 1 . 1 1 87 87 ASP N N 87 119.239 119.239 119.866 -0.627 25451 460 1 . 1 1 87 87 ASP HA H 87 4.501 4.501 4.379 0.122 25451 461 1 . 1 1 87 87 ASP C C 87 179.563 179.563 178.900 0.663 25451 462 1 . 1 1 87 87 ASP CA C 87 56.854 56.854 57.340 -0.486 25451 463 1 . 1 1 87 87 ASP CB C 87 41.996 41.996 40.792 1.204 25451 464 1 . 1 1 87 87 ASP H H 87 7.985 7.985 7.688 0.297 25451 465 1 . 1 1 88 88 LYS N N 88 121.741 121.741 119.574 2.167 25451 466 1 . 1 1 88 88 LYS HA H 88 4.036 4.036 4.135 -0.100 25451 467 1 . 1 1 88 88 LYS C C 88 178.778 178.778 178.654 0.124 25451 468 1 . 1 1 88 88 LYS CA C 88 59.147 59.147 58.284 0.863 25451 469 1 . 1 1 88 88 LYS CB C 88 32.182 32.182 32.448 -0.266 25451 470 1 . 1 1 88 88 LYS H H 88 8.461 8.461 8.042 0.419 25451 471 1 . 1 1 89 89 GLU N N 89 115.496 115.496 116.866 -1.370 25451 472 1 . 1 1 89 89 GLU HA H 89 4.310 4.310 4.323 -0.013 25451 473 1 . 1 1 89 89 GLU C C 89 176.806 176.806 177.046 -0.240 25451 474 1 . 1 1 89 89 GLU CA C 89 56.212 56.212 56.221 -0.009 25451 475 1 . 1 1 89 89 GLU CB C 89 30.347 30.347 29.737 0.610 25451 476 1 . 1 1 89 89 GLU H H 89 7.838 7.838 7.896 -0.058 25451 477 1 . 1 1 90 90 GLY N N 90 108.622 108.622 107.604 1.018 25451 478 1 . 1 1 90 90 GLY C C 90 175.985 175.985 175.226 0.759 25451 479 1 . 1 1 90 90 GLY CA C 90 46.215 46.215 45.993 0.222 25451 480 1 . 1 1 90 90 GLY H H 90 7.992 7.992 7.855 0.137 25451 481 1 . 1 1 91 91 LYS N N 91 117.355 117.355 119.746 -2.391 25451 482 1 . 1 1 91 91 LYS HA H 91 4.326 4.326 4.356 -0.030 25451 483 1 . 1 1 91 91 LYS C C 91 177.518 177.518 177.282 0.236 25451 484 1 . 1 1 91 91 LYS CA C 91 56.487 56.487 57.042 -0.555 25451 485 1 . 1 1 91 91 LYS CB C 91 35.117 35.117 32.739 2.379 25451 486 1 . 1 1 91 91 LYS H H 91 8.047 8.047 7.840 0.207 25451 487 1 . 1 1 92 92 LEU N N 92 121.641 121.641 120.756 0.885 25451 488 1 . 1 1 92 92 LEU HA H 92 3.953 3.953 4.111 -0.159 25451 489 1 . 1 1 92 92 LEU C C 92 177.518 177.518 177.529 -0.011 25451 490 1 . 1 1 92 92 LEU CA C 92 57.496 57.496 57.549 -0.053 25451 491 1 . 1 1 92 92 LEU CB C 92 41.170 41.170 42.025 -0.855 25451 492 1 . 1 1 92 92 LEU H H 92 7.582 7.582 7.635 -0.053 25451 493 1 . 1 1 93 93 ASP N N 93 118.032 118.032 119.395 -1.363 25451 494 1 . 1 1 93 93 ASP HA H 93 4.218 4.218 4.363 -0.145 25451 495 1 . 1 1 93 93 ASP C C 93 179.344 179.344 178.379 0.965 25451 496 1 . 1 1 93 93 ASP CA C 93 57.955 57.955 57.762 0.193 25451 497 1 . 1 1 93 93 ASP CB C 93 39.886 39.886 40.192 -0.306 25451 498 1 . 1 1 93 93 ASP H H 93 8.194 8.194 8.497 -0.303 25451 499 1 . 1 1 94 94 GLY N N 94 107.012 107.012 107.824 -0.812 25451 500 1 . 1 1 94 94 GLY C C 94 176.368 176.368 175.974 0.394 25451 501 1 . 1 1 94 94 GLY CA C 94 46.398 46.398 46.554 -0.156 25451 502 1 . 1 1 94 94 GLY H H 94 8.271 8.271 7.927 0.344 25451 503 1 . 1 1 95 95 LEU N N 95 120.472 120.472 120.946 -0.474 25451 504 1 . 1 1 95 95 LEU HA H 95 4.252 4.252 4.161 0.091 25451 505 1 . 1 1 95 95 LEU C C 95 178.285 178.285 177.730 0.555 25451 506 1 . 1 1 95 95 LEU CA C 95 56.487 56.487 56.274 0.213 25451 507 1 . 1 1 95 95 LEU CB C 95 42.729 42.729 42.190 0.539 25451 508 1 . 1 1 95 95 LEU H H 95 7.475 7.475 7.522 -0.047 25451 509 1 . 1 1 96 96 LEU N N 96 116.181 116.181 116.679 -0.498 25451 510 1 . 1 1 96 96 LEU HA H 96 4.260 4.260 4.189 0.071 25451 511 1 . 1 1 96 96 LEU C C 96 176.186 176.186 176.875 -0.689 25451 512 1 . 1 1 96 96 LEU CA C 96 54.561 54.561 55.197 -0.636 25451 513 1 . 1 1 96 96 LEU CB C 96 42.271 42.271 41.820 0.451 25451 514 1 . 1 1 96 96 LEU H H 96 7.394 7.394 7.449 -0.055 25451 stop_ save_