data_18269 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18269 _Entry.PDB_ID 2LPN 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 18269 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLU N N 2 121.590 121.590 117.314 4.276 18269 2 1 1 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.060 0.234 18269 3 1 1 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.897 -1.380 18269 4 1 1 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.785 0.366 18269 5 1 1 . 1 1 2 2 GLU H H 2 8.621 8.621 8.616 0.005 18269 6 1 1 . 1 1 3 3 ALA N N 3 125.815 125.815 119.985 5.830 18269 7 1 1 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.514 -0.148 18269 8 1 1 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.709 0.948 18269 9 1 1 . 1 1 3 3 ALA CB C 3 18.947 18.947 21.214 -2.267 18269 10 1 1 . 1 1 3 3 ALA H H 3 8.598 8.598 8.147 0.451 18269 11 1 1 . 1 1 4 4 GLY N N 4 108.386 108.386 108.230 0.156 18269 12 1 1 . 1 1 4 4 GLY CA C 4 45.137 45.137 46.112 -0.975 18269 13 1 1 . 1 1 4 4 GLY H H 4 8.487 8.487 8.680 -0.193 18269 14 1 1 . 1 1 5 5 GLY N N 5 108.367 108.367 114.940 -6.573 18269 15 1 1 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.578 0.176 18269 16 1 1 . 1 1 5 5 GLY H H 5 8.274 8.274 8.201 0.073 18269 17 1 1 . 1 1 6 6 ARG N N 6 121.577 121.577 118.735 2.842 18269 18 1 1 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.053 0.622 18269 19 1 1 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.867 -1.986 18269 20 1 1 . 1 1 6 6 ARG CB C 6 30.135 30.135 27.992 2.143 18269 21 1 1 . 1 1 6 6 ARG H H 6 8.297 8.297 8.105 0.192 18269 22 1 1 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.707 -0.216 18269 23 1 1 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.055 1.298 18269 24 1 1 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.810 1.237 18269 25 1 1 . 1 1 8 8 GLY N N 8 109.658 109.658 108.165 1.493 18269 26 1 1 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.417 -1.329 18269 27 1 1 . 1 1 8 8 GLY H H 8 8.660 8.660 7.979 0.681 18269 28 1 1 . 1 1 9 9 ALA N N 9 123.995 123.995 119.214 4.781 18269 29 1 1 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.324 0.116 18269 30 1 1 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.686 -0.889 18269 31 1 1 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.775 0.504 18269 32 1 1 . 1 1 9 9 ALA H H 9 8.200 8.200 8.006 0.194 18269 33 1 1 . 1 1 10 10 ASP N N 10 119.834 119.834 118.184 1.650 18269 34 1 1 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.701 -0.044 18269 35 1 1 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.103 -0.563 18269 36 1 1 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.990 -0.484 18269 37 1 1 . 1 1 10 10 ASP H H 10 8.290 8.290 8.249 0.041 18269 38 1 1 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.308 0.322 18269 39 1 1 . 1 1 11 11 CYS CA C 11 54.758 54.758 61.360 -6.602 18269 40 1 1 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.496 12.964 18269 41 1 1 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.314 -0.350 18269 42 1 1 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.205 4.172 18269 43 1 1 . 1 1 12 12 GLU CB C 12 31.255 31.255 30.194 1.061 18269 44 1 1 . 1 1 13 13 VAL N N 13 117.224 117.224 121.929 -4.705 18269 45 1 1 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.706 0.040 18269 46 1 1 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.843 -1.796 18269 47 1 1 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.551 -0.333 18269 48 1 1 . 1 1 13 13 VAL H H 13 7.040 7.040 8.324 -1.284 18269 49 1 1 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.149 -0.064 18269 50 1 1 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.743 -1.298 18269 51 1 1 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.877 15.342 18269 52 1 1 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.063 -0.004 18269 53 1 1 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.420 -1.849 18269 54 1 1 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.960 0.290 18269 55 1 1 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.147 0.184 18269 56 1 1 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.126 0.048 18269 57 1 1 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.334 0.072 18269 58 1 1 . 1 1 16 16 GLU H H 16 8.098 8.098 8.676 -0.578 18269 59 1 1 . 1 1 17 17 PHE N N 17 120.745 120.745 122.141 -1.396 18269 60 1 1 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.381 -0.066 18269 61 1 1 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.583 0.931 18269 62 1 1 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.274 1.239 18269 63 1 1 . 1 1 17 17 PHE H H 17 9.126 9.126 8.331 0.795 18269 64 1 1 . 1 1 18 18 LEU N N 18 115.787 115.787 119.457 -3.670 18269 65 1 1 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.592 0.551 18269 66 1 1 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.280 -0.403 18269 67 1 1 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.401 -0.449 18269 68 1 1 . 1 1 18 18 LEU H H 18 8.505 8.505 8.019 0.486 18269 69 1 1 . 1 1 19 19 ASN N N 19 117.635 117.635 116.809 0.826 18269 70 1 1 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.397 0.479 18269 71 1 1 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.838 -0.364 18269 72 1 1 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.859 -0.532 18269 73 1 1 . 1 1 19 19 ASN H H 19 8.405 8.405 8.496 -0.091 18269 74 1 1 . 1 1 20 20 ARG N N 20 122.851 122.851 118.539 4.312 18269 75 1 1 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.037 0.080 18269 76 1 1 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.331 0.958 18269 77 1 1 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.160 0.294 18269 78 1 1 . 1 1 20 20 ARG H H 20 8.325 8.325 8.007 0.318 18269 79 1 1 . 1 1 21 21 PHE N N 21 121.774 121.774 121.259 0.515 18269 80 1 1 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.328 -0.048 18269 81 1 1 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.373 -1.363 18269 82 1 1 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.236 -0.225 18269 83 1 1 . 1 1 21 21 PHE H H 21 8.438 8.438 8.347 0.091 18269 84 1 1 . 1 1 22 22 TYR N N 22 119.937 119.937 120.813 -0.876 18269 85 1 1 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.841 -0.052 18269 86 1 1 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.187 0.465 18269 87 1 1 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.256 0.018 18269 88 1 1 . 1 1 22 22 TYR H H 22 8.708 8.708 8.255 0.453 18269 89 1 1 . 1 1 23 23 LYS N N 23 116.431 116.431 117.323 -0.892 18269 90 1 1 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.794 0.065 18269 91 1 1 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.142 1.001 18269 92 1 1 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.343 0.874 18269 93 1 1 . 1 1 23 23 LYS H H 23 7.928 7.928 8.216 -0.288 18269 94 1 1 . 1 1 24 24 SER N N 24 113.888 113.888 116.600 -2.712 18269 95 1 1 . 1 1 24 24 SER HA H 24 4.325 4.325 4.165 0.160 18269 96 1 1 . 1 1 24 24 SER CA C 24 61.016 61.016 61.562 -0.546 18269 97 1 1 . 1 1 24 24 SER CB C 24 62.837 62.837 62.880 -0.043 18269 98 1 1 . 1 1 24 24 SER H H 24 7.665 7.665 7.598 0.067 18269 99 1 1 . 1 1 25 25 LEU N N 25 119.663 119.663 121.941 -2.278 18269 100 1 1 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.851 -0.172 18269 101 1 1 . 1 1 25 25 LEU CA C 25 57.505 57.505 58.301 -0.796 18269 102 1 1 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.234 0.668 18269 103 1 1 . 1 1 25 25 LEU H H 25 7.573 7.573 7.623 -0.050 18269 104 1 1 . 1 1 26 26 ILE N N 26 119.781 119.781 118.428 1.353 18269 105 1 1 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.554 0.302 18269 106 1 1 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.678 -0.129 18269 107 1 1 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.498 0.806 18269 108 1 1 . 1 1 26 26 ILE H H 26 8.094 8.094 7.502 0.592 18269 109 1 1 . 1 1 27 27 ASP N N 27 122.421 122.421 119.958 2.463 18269 110 1 1 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.413 -0.037 18269 111 1 1 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.505 0.515 18269 112 1 1 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.239 -1.159 18269 113 1 1 . 1 1 27 27 ASP H H 27 9.091 9.091 7.768 1.323 18269 114 1 1 . 1 1 28 28 ARG N N 28 115.349 115.349 117.666 -2.317 18269 115 1 1 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.157 0.148 18269 116 1 1 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.911 -0.413 18269 117 1 1 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.451 1.162 18269 118 1 1 . 1 1 28 28 ARG H H 28 7.587 7.587 8.434 -0.847 18269 119 1 1 . 1 1 29 29 GLY N N 29 109.999 109.999 107.531 2.468 18269 120 1 1 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.359 1.302 18269 121 1 1 . 1 1 29 29 GLY H H 29 7.909 7.909 7.763 0.146 18269 122 1 1 . 1 1 30 30 VAL N N 30 118.740 118.740 118.112 0.628 18269 123 1 1 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.446 -0.687 18269 124 1 1 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.264 2.206 18269 125 1 1 . 1 1 30 30 VAL CB C 30 32.326 32.326 31.628 0.698 18269 126 1 1 . 1 1 30 30 VAL H H 30 7.701 7.701 8.116 -0.414 18269 127 1 1 . 1 1 31 31 ASN N N 31 123.250 123.250 118.297 4.953 18269 128 1 1 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.778 -0.065 18269 129 1 1 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.127 1.361 18269 130 1 1 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.477 -1.266 18269 131 1 1 . 1 1 31 31 ASN H H 31 8.498 8.498 7.406 1.092 18269 132 1 1 . 1 1 32 32 PHE N N 32 126.076 126.076 114.310 11.766 18269 133 1 1 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.170 -0.032 18269 134 1 1 . 1 1 32 32 PHE CA C 32 58.647 58.647 59.586 -0.938 18269 135 1 1 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.067 -1.288 18269 136 1 1 . 1 1 32 32 PHE H H 32 8.783 8.783 8.604 0.179 18269 137 1 1 . 1 1 33 33 SER N N 33 115.958 115.958 115.123 0.835 18269 138 1 1 . 1 1 33 33 SER HA H 33 4.736 4.736 4.809 -0.073 18269 139 1 1 . 1 1 33 33 SER CA C 33 56.745 56.745 56.989 -0.244 18269 140 1 1 . 1 1 33 33 SER CB C 33 64.899 64.899 64.304 0.595 18269 141 1 1 . 1 1 33 33 SER H H 33 7.699 7.699 7.798 -0.099 18269 142 1 1 . 1 1 34 34 LEU N N 34 124.359 124.359 127.512 -3.153 18269 143 1 1 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.007 -0.154 18269 144 1 1 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.198 1.473 18269 145 1 1 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.540 0.006 18269 146 1 1 . 1 1 34 34 LEU H H 34 8.935 8.935 8.975 -0.040 18269 147 1 1 . 1 1 35 35 ASP N N 35 115.345 115.345 117.402 -2.057 18269 148 1 1 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.466 -0.088 18269 149 1 1 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.733 -0.875 18269 150 1 1 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.254 -0.094 18269 151 1 1 . 1 1 35 35 ASP H H 35 8.575 8.575 8.609 -0.034 18269 152 1 1 . 1 1 36 36 THR N N 36 116.789 116.789 116.927 -0.138 18269 153 1 1 . 1 1 36 36 THR HA H 36 4.015 4.015 4.213 -0.198 18269 154 1 1 . 1 1 36 36 THR CA C 36 66.069 66.069 66.410 -0.341 18269 155 1 1 . 1 1 36 36 THR CB C 36 68.780 68.780 68.704 0.076 18269 156 1 1 . 1 1 36 36 THR H H 36 7.593 7.593 7.325 0.268 18269 157 1 1 . 1 1 37 37 ILE N N 37 120.685 120.685 121.587 -0.902 18269 158 1 1 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.781 -0.412 18269 159 1 1 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.811 -0.010 18269 160 1 1 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.548 -0.457 18269 161 1 1 . 1 1 37 37 ILE H H 37 8.436 8.436 8.616 -0.180 18269 162 1 1 . 1 1 38 38 GLU N N 38 118.792 118.792 120.688 -1.896 18269 163 1 1 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.972 -0.294 18269 164 1 1 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.819 1.241 18269 165 1 1 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.515 0.356 18269 166 1 1 . 1 1 38 38 GLU H H 38 8.122 8.122 7.992 0.130 18269 167 1 1 . 1 1 39 39 LYS N N 39 116.986 116.986 120.060 -3.074 18269 168 1 1 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.142 -0.181 18269 169 1 1 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.722 1.024 18269 170 1 1 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.121 0.189 18269 171 1 1 . 1 1 39 39 LYS H H 39 7.586 7.586 7.648 -0.062 18269 172 1 1 . 1 1 40 40 GLU N N 40 117.892 117.892 119.644 -1.752 18269 173 1 1 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.365 -0.160 18269 174 1 1 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.458 -0.099 18269 175 1 1 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.412 -0.833 18269 176 1 1 . 1 1 40 40 GLU H H 40 8.690 8.690 8.532 0.158 18269 177 1 1 . 1 1 41 41 LEU N N 41 125.830 125.830 121.590 4.240 18269 178 1 1 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.816 -0.269 18269 179 1 1 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.356 -0.528 18269 180 1 1 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.757 -1.419 18269 181 1 1 . 1 1 41 41 LEU H H 41 8.978 8.978 8.318 0.660 18269 182 1 1 . 1 1 42 42 ILE N N 42 119.900 119.900 119.093 0.807 18269 183 1 1 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.491 0.093 18269 184 1 1 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.732 0.100 18269 185 1 1 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.565 0.225 18269 186 1 1 . 1 1 42 42 ILE H H 42 7.884 7.884 7.759 0.125 18269 187 1 1 . 1 1 43 43 SER N N 43 114.071 114.071 116.249 -2.178 18269 188 1 1 . 1 1 43 43 SER HA H 43 4.277 4.277 4.132 0.145 18269 189 1 1 . 1 1 43 43 SER CA C 43 61.598 61.598 61.825 -0.227 18269 190 1 1 . 1 1 43 43 SER CB C 43 62.767 62.767 63.220 -0.453 18269 191 1 1 . 1 1 43 43 SER H H 43 7.791 7.791 8.159 -0.368 18269 192 1 1 . 1 1 44 44 PHE N N 44 125.036 125.036 122.842 2.194 18269 193 1 1 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.429 -0.100 18269 194 1 1 . 1 1 44 44 PHE CA C 44 61.257 61.257 62.047 -0.790 18269 195 1 1 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.627 1.004 18269 196 1 1 . 1 1 44 44 PHE H H 44 9.060 9.060 8.790 0.270 18269 197 1 1 . 1 1 45 45 CYS N N 45 112.824 112.824 118.851 -6.027 18269 198 1 1 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.232 0.374 18269 199 1 1 . 1 1 45 45 CYS CA C 45 59.236 59.236 63.141 -3.905 18269 200 1 1 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.975 16.648 18269 201 1 1 . 1 1 45 45 CYS H H 45 8.254 8.254 8.704 -0.450 18269 202 1 1 . 1 1 46 46 LEU N N 46 123.875 123.875 117.806 6.069 18269 203 1 1 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.192 -0.017 18269 204 1 1 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.844 1.307 18269 205 1 1 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.178 0.074 18269 206 1 1 . 1 1 46 46 LEU H H 46 7.776 7.776 7.751 0.025 18269 207 1 1 . 1 1 47 47 ASP N N 47 116.880 116.880 119.638 -2.758 18269 208 1 1 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.711 0.199 18269 209 1 1 . 1 1 47 47 ASP CA C 47 53.585 53.585 53.641 -0.056 18269 210 1 1 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.835 0.540 18269 211 1 1 . 1 1 47 47 ASP H H 47 7.852 7.852 7.933 -0.081 18269 212 1 1 . 1 1 48 48 THR N N 48 108.053 108.053 113.972 -5.919 18269 213 1 1 . 1 1 48 48 THR HA H 48 4.461 4.461 4.430 0.031 18269 214 1 1 . 1 1 48 48 THR CA C 48 60.844 60.844 60.634 0.210 18269 215 1 1 . 1 1 48 48 THR CB C 48 73.395 73.395 71.111 2.284 18269 216 1 1 . 1 1 48 48 THR H H 48 7.139 7.139 7.680 -0.541 18269 217 1 1 . 1 1 49 49 LYS N N 49 118.308 118.308 119.980 -1.672 18269 218 1 1 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.651 0.067 18269 219 1 1 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.152 -0.108 18269 220 1 1 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.048 3.522 18269 221 1 1 . 1 1 49 49 LYS H H 49 8.755 8.755 8.326 0.429 18269 222 1 1 . 1 1 50 50 GLY N N 50 108.996 108.996 110.658 -1.662 18269 223 1 1 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.773 -0.930 18269 224 1 1 . 1 1 50 50 GLY H H 50 8.866 8.866 8.684 0.182 18269 225 1 1 . 1 1 51 51 LYS N N 51 126.155 126.155 121.480 4.675 18269 226 1 1 . 1 1 51 51 LYS HA H 51 3.970 3.970 3.954 0.016 18269 227 1 1 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.650 -1.540 18269 228 1 1 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.793 0.826 18269 229 1 1 . 1 1 51 51 LYS H H 51 9.254 9.254 8.622 0.632 18269 230 1 1 . 1 1 52 52 GLU N N 52 116.496 116.496 118.396 -1.900 18269 231 1 1 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.053 -0.530 18269 232 1 1 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.124 0.266 18269 233 1 1 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.845 -1.159 18269 234 1 1 . 1 1 52 52 GLU H H 52 8.223 8.223 8.105 0.118 18269 235 1 1 . 1 1 53 53 ASN N N 53 119.000 119.000 118.602 0.398 18269 236 1 1 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.649 -0.265 18269 237 1 1 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.511 1.467 18269 238 1 1 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.564 0.882 18269 239 1 1 . 1 1 53 53 ASN H H 53 6.840 6.840 8.408 -1.568 18269 240 1 1 . 1 1 54 54 ARG N N 54 118.480 118.480 119.173 -0.693 18269 241 1 1 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.449 -0.680 18269 242 1 1 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.479 -0.082 18269 243 1 1 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.418 -1.678 18269 244 1 1 . 1 1 54 54 ARG H H 54 7.456 7.456 8.069 -0.613 18269 245 1 1 . 1 1 55 55 LEU N N 55 118.688 118.688 121.985 -3.297 18269 246 1 1 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.274 -0.466 18269 247 1 1 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.162 0.297 18269 248 1 1 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.861 -1.741 18269 249 1 1 . 1 1 55 55 LEU H H 55 7.843 7.843 7.938 -0.095 18269 250 1 1 . 1 1 56 56 CYS N N 56 115.905 115.905 117.057 -1.152 18269 251 1 1 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.834 0.039 18269 252 1 1 . 1 1 56 56 CYS CA C 56 63.037 63.037 62.431 0.606 18269 253 1 1 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.563 17.342 18269 254 1 1 . 1 1 56 56 CYS H H 56 7.752 7.752 7.711 0.041 18269 255 1 1 . 1 1 57 57 TYR N N 57 121.810 121.810 118.614 3.196 18269 256 1 1 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.098 0.045 18269 257 1 1 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.420 0.894 18269 258 1 1 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.334 -0.280 18269 259 1 1 . 1 1 57 57 TYR H H 57 7.911 7.911 7.437 0.474 18269 260 1 1 . 1 1 58 58 TYR N N 58 121.916 121.916 114.297 7.619 18269 261 1 1 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.429 -0.054 18269 262 1 1 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.309 -1.300 18269 263 1 1 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.445 -0.421 18269 264 1 1 . 1 1 58 58 TYR H H 58 8.334 8.334 7.716 0.618 18269 265 1 1 . 1 1 59 59 LEU N N 59 114.461 114.461 116.398 -1.937 18269 266 1 1 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.565 -0.445 18269 267 1 1 . 1 1 59 59 LEU CA C 59 55.229 55.229 54.952 0.277 18269 268 1 1 . 1 1 59 59 LEU CB C 59 42.045 42.045 43.270 -1.225 18269 269 1 1 . 1 1 59 59 LEU H H 59 8.079 8.079 7.437 0.642 18269 270 1 1 . 1 1 60 60 GLY N N 60 102.559 102.559 104.724 -2.165 18269 271 1 1 . 1 1 60 60 GLY CA C 60 45.572 45.572 44.492 1.080 18269 272 1 1 . 1 1 60 60 GLY H H 60 7.562 7.562 7.917 -0.355 18269 273 1 1 . 1 1 61 61 ALA N N 61 120.327 120.327 123.492 -3.165 18269 274 1 1 . 1 1 61 61 ALA HA H 61 4.401 4.401 3.935 0.466 18269 275 1 1 . 1 1 61 61 ALA CA C 61 51.265 51.265 53.407 -2.142 18269 276 1 1 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.011 2.326 18269 277 1 1 . 1 1 61 61 ALA H H 61 7.995 7.995 8.280 -0.285 18269 278 1 1 . 1 1 62 62 THR N N 62 106.895 106.895 108.738 -1.843 18269 279 1 1 . 1 1 62 62 THR HA H 62 4.518 4.518 3.869 0.649 18269 280 1 1 . 1 1 62 62 THR CA C 62 59.982 59.982 63.130 -3.148 18269 281 1 1 . 1 1 62 62 THR CB C 62 70.540 70.540 68.207 2.333 18269 282 1 1 . 1 1 62 62 THR H H 62 7.156 7.156 8.589 -1.433 18269 283 1 1 . 1 1 63 63 LYS N N 63 121.251 121.251 114.798 6.453 18269 284 1 1 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.060 0.037 18269 285 1 1 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.892 0.380 18269 286 1 1 . 1 1 63 63 LYS CB C 63 32.155 32.155 31.291 0.864 18269 287 1 1 . 1 1 63 63 LYS H H 63 8.626 8.626 8.260 0.366 18269 288 1 1 . 1 1 64 64 ASP N N 64 116.607 116.607 118.385 -1.778 18269 289 1 1 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.772 -0.215 18269 290 1 1 . 1 1 64 64 ASP CA C 64 53.902 53.902 53.098 0.804 18269 291 1 1 . 1 1 64 64 ASP CB C 64 40.106 40.106 43.133 -3.027 18269 292 1 1 . 1 1 64 64 ASP H H 64 8.441 8.441 7.827 0.614 18269 293 1 1 . 1 1 65 65 ALA N N 65 122.486 122.486 123.615 -1.129 18269 294 1 1 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.024 0.061 18269 295 1 1 . 1 1 65 65 ALA CA C 65 52.549 52.549 53.872 -1.323 18269 296 1 1 . 1 1 65 65 ALA CB C 65 19.557 19.557 18.102 1.455 18269 297 1 1 . 1 1 65 65 ALA H H 65 7.368 7.368 8.475 -1.107 18269 298 1 1 . 1 1 66 66 ALA N N 66 124.171 124.171 123.795 0.376 18269 299 1 1 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.704 -0.260 18269 300 1 1 . 1 1 66 66 ALA CA C 66 52.471 52.471 51.749 0.722 18269 301 1 1 . 1 1 66 66 ALA CB C 66 19.265 19.265 20.477 -1.212 18269 302 1 1 . 1 1 66 66 ALA H H 66 8.300 8.300 7.914 0.386 18269 303 1 1 . 1 1 67 67 THR N N 67 111.638 111.638 117.806 -6.168 18269 304 1 1 . 1 1 67 67 THR HA H 67 4.496 4.496 4.175 0.321 18269 305 1 1 . 1 1 67 67 THR CA C 67 60.881 60.881 64.256 -3.375 18269 306 1 1 . 1 1 67 67 THR CB C 67 70.199 70.199 68.989 1.210 18269 307 1 1 . 1 1 67 67 THR H H 67 7.730 7.730 8.472 -0.742 18269 308 1 1 . 1 1 68 68 LYS N N 68 121.732 121.732 121.788 -0.056 18269 309 1 1 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.229 0.307 18269 310 1 1 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.216 -1.654 18269 311 1 1 . 1 1 68 68 LYS CB C 68 33.099 33.099 31.921 1.178 18269 312 1 1 . 1 1 68 68 LYS H H 68 8.502 8.502 8.196 0.306 18269 313 1 1 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.917 0.422 18269 314 1 1 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.209 -1.503 18269 315 1 1 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.562 0.238 18269 316 1 1 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.075 0.056 18269 317 1 1 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.838 0.778 18269 318 1 1 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.811 -0.073 18269 319 1 1 . 1 1 71 71 SER HA H 71 4.817 4.817 4.251 0.566 18269 320 1 1 . 1 1 71 71 SER CA C 71 60.667 60.667 61.323 -0.656 18269 321 1 1 . 1 1 71 71 SER CB C 71 62.646 62.646 62.638 0.008 18269 322 1 1 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.196 0.068 18269 323 1 1 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.229 -1.600 18269 324 1 1 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.420 -1.173 18269 325 1 1 . 1 1 73 73 VAL N N 73 114.786 114.786 116.531 -1.745 18269 326 1 1 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.933 0.169 18269 327 1 1 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.237 -1.496 18269 328 1 1 . 1 1 73 73 VAL CB C 73 33.265 33.265 33.041 0.224 18269 329 1 1 . 1 1 73 73 VAL H H 73 7.812 7.812 7.403 0.409 18269 330 1 1 . 1 1 74 74 THR HA H 74 3.767 3.767 3.937 -0.170 18269 331 1 1 . 1 1 74 74 THR CA C 74 65.584 65.584 66.148 -0.564 18269 332 1 1 . 1 1 74 74 THR CB C 74 67.470 67.470 68.859 -1.389 18269 333 1 1 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.218 0.028 18269 334 1 1 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.155 1.228 18269 335 1 1 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.889 0.731 18269 336 1 1 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.534 -0.049 18269 337 1 1 . 1 1 76 76 PRO CA C 76 65.697 65.697 64.751 0.946 18269 338 1 1 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.411 -0.516 18269 339 1 1 . 1 1 77 77 MET N N 77 117.583 117.583 117.280 0.303 18269 340 1 1 . 1 1 77 77 MET HA H 77 4.684 4.684 4.512 0.172 18269 341 1 1 . 1 1 77 77 MET CA C 77 59.347 59.347 55.752 3.595 18269 342 1 1 . 1 1 77 77 MET CB C 77 32.996 32.996 32.048 0.948 18269 343 1 1 . 1 1 77 77 MET H H 77 7.685 7.685 7.779 -0.094 18269 344 1 1 . 1 1 78 78 SER N N 78 114.578 114.578 113.871 0.707 18269 345 1 1 . 1 1 78 78 SER HA H 78 4.226 4.226 4.602 -0.376 18269 346 1 1 . 1 1 78 78 SER CA C 78 61.922 61.922 58.868 3.054 18269 347 1 1 . 1 1 78 78 SER CB C 78 62.406 62.406 64.030 -1.624 18269 348 1 1 . 1 1 78 78 SER H H 78 8.285 8.285 7.556 0.729 18269 349 1 1 . 1 1 79 79 VAL N N 79 111.248 111.248 119.314 -8.066 18269 350 1 1 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.217 0.534 18269 351 1 1 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.259 -0.133 18269 352 1 1 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.981 -4.635 18269 353 1 1 . 1 1 79 79 VAL H H 79 7.004 7.004 7.122 -0.118 18269 354 1 1 . 1 1 80 80 HIS N N 80 116.703 116.703 128.004 -11.301 18269 355 1 1 . 1 1 80 80 HIS HA H 80 4.116 4.116 5.058 -0.942 18269 356 1 1 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.450 -0.624 18269 357 1 1 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.394 -3.505 18269 358 1 1 . 1 1 80 80 HIS H H 80 8.289 8.289 8.733 -0.444 18269 359 1 1 . 1 1 81 81 MET N N 81 120.978 120.978 126.394 -5.416 18269 360 1 1 . 1 1 81 81 MET HA H 81 4.512 4.512 4.873 -0.361 18269 361 1 1 . 1 1 81 81 MET CA C 81 55.007 55.007 52.869 2.138 18269 362 1 1 . 1 1 81 81 MET CB C 81 33.265 33.265 34.694 -1.429 18269 363 1 1 . 1 1 81 81 MET H H 81 8.006 8.006 8.788 -0.782 18269 364 1 1 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.161 0.180 18269 365 1 1 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.628 -1.392 18269 366 1 1 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.626 2.037 18269 367 1 1 . 1 1 83 83 ALA N N 83 126.545 126.545 119.554 6.991 18269 368 1 1 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.729 0.217 18269 369 1 1 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.573 1.400 18269 370 1 1 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.180 1.295 18269 371 1 1 . 1 1 83 83 ALA H H 83 9.196 9.196 7.897 1.299 18269 372 1 1 . 1 1 84 84 MET N N 84 114.734 114.734 117.290 -2.556 18269 373 1 1 . 1 1 84 84 MET HA H 84 4.024 4.024 4.290 -0.266 18269 374 1 1 . 1 1 84 84 MET CA C 84 58.812 58.812 58.662 0.150 18269 375 1 1 . 1 1 84 84 MET CB C 84 32.242 32.242 32.457 -0.215 18269 376 1 1 . 1 1 84 84 MET H H 84 9.289 9.289 7.782 1.507 18269 377 1 1 . 1 1 85 85 LYS N N 85 116.490 116.490 120.539 -4.049 18269 378 1 1 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.337 -0.163 18269 379 1 1 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.501 -0.385 18269 380 1 1 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.854 -0.061 18269 381 1 1 . 1 1 85 85 LYS H H 85 6.997 6.997 8.150 -1.153 18269 382 1 1 . 1 1 86 86 ILE N N 86 120.561 120.561 119.909 0.652 18269 383 1 1 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.720 -0.105 18269 384 1 1 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.438 1.840 18269 385 1 1 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.668 -0.148 18269 386 1 1 . 1 1 86 86 ILE H H 86 7.875 7.875 7.765 0.110 18269 387 1 1 . 1 1 87 87 CYS N N 87 117.323 117.323 119.029 -1.706 18269 388 1 1 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.180 -0.104 18269 389 1 1 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.061 -0.001 18269 390 1 1 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.847 16.886 18269 391 1 1 . 1 1 87 87 CYS H H 87 8.643 8.643 7.756 0.887 18269 392 1 1 . 1 1 88 88 GLU N N 88 118.070 118.070 120.279 -2.209 18269 393 1 1 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.011 -0.063 18269 394 1 1 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.061 0.702 18269 395 1 1 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.461 0.303 18269 396 1 1 . 1 1 88 88 GLU H H 88 8.045 8.045 7.919 0.126 18269 397 1 1 . 1 1 89 89 LYS N N 89 119.719 119.719 119.715 0.004 18269 398 1 1 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.061 0.077 18269 399 1 1 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.123 0.007 18269 400 1 1 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.358 -0.655 18269 401 1 1 . 1 1 89 89 LYS H H 89 7.530 7.530 8.064 -0.534 18269 402 1 1 . 1 1 90 90 LEU N N 90 119.550 119.550 120.100 -0.550 18269 403 1 1 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.023 -0.058 18269 404 1 1 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.840 -0.497 18269 405 1 1 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.579 -0.588 18269 406 1 1 . 1 1 90 90 LEU H H 90 8.422 8.422 8.223 0.199 18269 407 1 1 . 1 1 91 91 LYS N N 91 119.180 119.180 116.976 2.204 18269 408 1 1 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.270 -0.408 18269 409 1 1 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.083 0.522 18269 410 1 1 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.067 0.410 18269 411 1 1 . 1 1 91 91 LYS H H 91 8.218 8.218 7.346 0.872 18269 412 1 1 . 1 1 92 92 LYS N N 92 113.632 113.632 117.657 -4.025 18269 413 1 1 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.163 -0.110 18269 414 1 1 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.543 0.015 18269 415 1 1 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.681 -0.747 18269 416 1 1 . 1 1 92 92 LYS H H 92 6.984 6.984 7.492 -0.508 18269 417 1 1 . 1 1 93 93 LEU N N 93 119.104 119.104 118.828 0.276 18269 418 1 1 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.366 -0.076 18269 419 1 1 . 1 1 93 93 LEU CA C 93 56.104 56.104 55.727 0.377 18269 420 1 1 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.633 -1.531 18269 421 1 1 . 1 1 93 93 LEU H H 93 7.456 7.456 7.501 -0.045 18269 422 1 1 . 1 1 94 94 ASP N N 94 116.790 116.790 116.121 0.669 18269 423 1 1 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.820 -0.264 18269 424 1 1 . 1 1 94 94 ASP CA C 94 54.366 54.366 54.016 0.350 18269 425 1 1 . 1 1 94 94 ASP CB C 94 41.173 41.173 44.271 -3.098 18269 426 1 1 . 1 1 94 94 ASP H H 94 7.911 7.911 8.277 -0.366 18269 427 1 1 . 1 1 95 95 SER N N 95 122.399 122.399 118.721 3.678 18269 428 1 1 . 1 1 95 95 SER HA H 95 4.186 4.186 4.282 -0.096 18269 429 1 1 . 1 1 95 95 SER CA C 95 61.472 61.472 60.058 1.414 18269 430 1 1 . 1 1 95 95 SER CB C 95 62.568 62.568 63.348 -0.780 18269 431 1 1 . 1 1 95 95 SER H H 95 8.894 8.894 8.751 0.143 18269 432 1 1 . 1 1 96 96 GLN N N 96 120.800 120.800 121.692 -0.892 18269 433 1 1 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.011 -0.149 18269 434 1 1 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.349 0.802 18269 435 1 1 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.213 0.204 18269 436 1 1 . 1 1 96 96 GLN H H 96 8.610 8.610 8.651 -0.041 18269 437 1 1 . 1 1 97 97 ILE N N 97 117.387 117.387 116.355 1.032 18269 438 1 1 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.461 -0.062 18269 439 1 1 . 1 1 97 97 ILE CA C 97 65.831 65.831 62.879 2.952 18269 440 1 1 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.896 0.378 18269 441 1 1 . 1 1 97 97 ILE H H 97 7.470 7.470 7.566 -0.096 18269 442 1 1 . 1 1 98 98 CYS N N 98 113.485 113.485 120.814 -7.329 18269 443 1 1 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.325 0.746 18269 444 1 1 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.162 2.811 18269 445 1 1 . 1 1 98 98 CYS CB C 98 48.586 48.586 24.260 24.326 18269 446 1 1 . 1 1 98 98 CYS H H 98 7.410 7.410 7.563 -0.153 18269 447 1 1 . 1 1 99 99 GLU N N 99 119.123 119.123 125.156 -6.033 18269 448 1 1 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.276 0.047 18269 449 1 1 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.351 0.375 18269 450 1 1 . 1 1 99 99 GLU CB C 99 29.979 29.979 31.044 -1.065 18269 451 1 1 . 1 1 99 99 GLU H H 99 7.308 7.308 7.817 -0.509 18269 452 1 1 . 1 1 100 100 LEU N N 100 115.771 115.771 117.018 -1.247 18269 453 1 1 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.921 0.376 18269 454 1 1 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.596 0.086 18269 455 1 1 . 1 1 100 100 LEU CB C 100 42.961 42.961 40.630 2.331 18269 456 1 1 . 1 1 100 100 LEU H H 100 6.496 6.496 8.513 -2.017 18269 457 1 1 . 1 1 101 101 LYS N N 101 125.672 125.672 118.988 6.684 18269 458 1 1 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.060 0.534 18269 459 1 1 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.351 -1.001 18269 460 1 1 . 1 1 101 101 LYS CB C 101 35.723 35.723 32.040 3.683 18269 461 1 1 . 1 1 101 101 LYS H H 101 8.575 8.575 7.295 1.280 18269 462 1 1 . 1 1 102 102 TYR N N 102 120.395 120.395 124.099 -3.704 18269 463 1 1 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.218 0.164 18269 464 1 1 . 1 1 102 102 TYR CA C 102 60.024 60.024 61.617 -1.593 18269 465 1 1 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.909 -0.581 18269 466 1 1 . 1 1 102 102 TYR H H 102 8.756 8.756 8.846 -0.090 18269 467 1 1 . 1 1 103 103 GLU N N 103 121.550 121.550 116.319 5.231 18269 468 1 1 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.573 -0.181 18269 469 1 1 . 1 1 103 103 GLU CA C 103 56.327 56.327 55.934 0.393 18269 470 1 1 . 1 1 103 103 GLU CB C 103 30.302 30.302 29.314 0.988 18269 471 1 1 . 1 1 103 103 GLU H H 103 8.835 8.835 8.326 0.509 18269 472 1 1 . 1 1 104 104 LYS N N 104 122.957 122.957 121.637 1.320 18269 473 1 1 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.292 0.169 18269 474 1 1 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.620 -0.346 18269 475 1 1 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.716 0.331 18269 476 1 1 . 1 1 104 104 LYS H H 104 8.490 8.490 8.927 -0.437 18269 477 1 2 . 1 1 2 2 GLU N N 2 121.590 121.590 117.985 3.605 18269 478 1 2 . 1 1 2 2 GLU HA H 2 4.294 4.294 3.974 0.320 18269 479 1 2 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.330 -0.813 18269 480 1 2 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.254 0.897 18269 481 1 2 . 1 1 2 2 GLU H H 2 8.621 8.621 8.873 -0.252 18269 482 1 2 . 1 1 3 3 ALA N N 3 125.815 125.815 123.708 2.107 18269 483 1 2 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.740 -0.374 18269 484 1 2 . 1 1 3 3 ALA CA C 3 52.657 52.657 50.949 1.708 18269 485 1 2 . 1 1 3 3 ALA CB C 3 18.947 18.947 21.813 -2.866 18269 486 1 2 . 1 1 3 3 ALA H H 3 8.598 8.598 8.265 0.333 18269 487 1 2 . 1 1 4 4 GLY N N 4 108.386 108.386 108.573 -0.187 18269 488 1 2 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.987 -0.850 18269 489 1 2 . 1 1 4 4 GLY H H 4 8.487 8.487 8.747 -0.260 18269 490 1 2 . 1 1 5 5 GLY N N 5 108.367 108.367 114.858 -6.491 18269 491 1 2 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.669 0.085 18269 492 1 2 . 1 1 5 5 GLY H H 5 8.274 8.274 8.136 0.138 18269 493 1 2 . 1 1 6 6 ARG N N 6 121.577 121.577 117.982 3.595 18269 494 1 2 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.030 0.645 18269 495 1 2 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.861 -1.980 18269 496 1 2 . 1 1 6 6 ARG CB C 6 30.135 30.135 27.717 2.418 18269 497 1 2 . 1 1 6 6 ARG H H 6 8.297 8.297 8.122 0.175 18269 498 1 2 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.729 -0.238 18269 499 1 2 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.022 1.331 18269 500 1 2 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.105 0.942 18269 501 1 2 . 1 1 8 8 GLY N N 8 109.658 109.658 108.020 1.638 18269 502 1 2 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.655 -0.567 18269 503 1 2 . 1 1 8 8 GLY H H 8 8.660 8.660 8.045 0.615 18269 504 1 2 . 1 1 9 9 ALA N N 9 123.995 123.995 120.715 3.280 18269 505 1 2 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.389 0.051 18269 506 1 2 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.905 -1.108 18269 507 1 2 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.885 0.394 18269 508 1 2 . 1 1 9 9 ALA H H 9 8.200 8.200 8.091 0.109 18269 509 1 2 . 1 1 10 10 ASP N N 10 119.834 119.834 117.161 2.673 18269 510 1 2 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.619 0.038 18269 511 1 2 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.266 0.274 18269 512 1 2 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.509 -0.003 18269 513 1 2 . 1 1 10 10 ASP H H 10 8.290 8.290 8.374 -0.084 18269 514 1 2 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.481 0.149 18269 515 1 2 . 1 1 11 11 CYS CA C 11 54.758 54.758 60.273 -5.515 18269 516 1 2 . 1 1 11 11 CYS CB C 11 40.460 40.460 25.385 15.075 18269 517 1 2 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.995 -0.031 18269 518 1 2 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.428 0.949 18269 519 1 2 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.765 1.490 18269 520 1 2 . 1 1 13 13 VAL N N 13 117.224 117.224 118.203 -0.979 18269 521 1 2 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.806 -0.060 18269 522 1 2 . 1 1 13 13 VAL CA C 13 65.046 65.046 65.955 -0.909 18269 523 1 2 . 1 1 13 13 VAL CB C 13 31.218 31.218 30.477 0.740 18269 524 1 2 . 1 1 13 13 VAL H H 13 7.040 7.040 8.006 -0.966 18269 525 1 2 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.120 -0.035 18269 526 1 2 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.493 -1.048 18269 527 1 2 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.976 15.243 18269 528 1 2 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.038 0.021 18269 529 1 2 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.548 -1.978 18269 530 1 2 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.781 0.469 18269 531 1 2 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.193 0.138 18269 532 1 2 . 1 1 16 16 GLU CA C 16 59.174 59.174 58.926 0.248 18269 533 1 2 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.193 0.213 18269 534 1 2 . 1 1 16 16 GLU H H 16 8.098 8.098 8.084 0.014 18269 535 1 2 . 1 1 17 17 PHE N N 17 120.745 120.745 122.571 -1.826 18269 536 1 2 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.407 -0.092 18269 537 1 2 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.197 0.317 18269 538 1 2 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.312 1.201 18269 539 1 2 . 1 1 17 17 PHE H H 17 9.126 9.126 8.111 1.015 18269 540 1 2 . 1 1 18 18 LEU N N 18 115.787 115.787 119.359 -3.572 18269 541 1 2 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.824 0.319 18269 542 1 2 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.398 -0.521 18269 543 1 2 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.436 -0.484 18269 544 1 2 . 1 1 18 18 LEU H H 18 8.505 8.505 8.379 0.126 18269 545 1 2 . 1 1 19 19 ASN N N 19 117.635 117.635 116.780 0.855 18269 546 1 2 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.447 0.429 18269 547 1 2 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.852 -0.378 18269 548 1 2 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.846 -0.518 18269 549 1 2 . 1 1 19 19 ASN H H 19 8.405 8.405 8.404 0.001 18269 550 1 2 . 1 1 20 20 ARG N N 20 122.851 122.851 119.225 3.626 18269 551 1 2 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.024 0.093 18269 552 1 2 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.653 0.636 18269 553 1 2 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.216 0.239 18269 554 1 2 . 1 1 20 20 ARG H H 20 8.325 8.325 7.816 0.509 18269 555 1 2 . 1 1 21 21 PHE N N 21 121.774 121.774 121.685 0.089 18269 556 1 2 . 1 1 21 21 PHE HA H 21 3.280 3.280 2.870 0.410 18269 557 1 2 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.469 -1.458 18269 558 1 2 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.017 -0.006 18269 559 1 2 . 1 1 21 21 PHE H H 21 8.438 8.438 7.826 0.612 18269 560 1 2 . 1 1 22 22 TYR N N 22 119.937 119.937 120.399 -0.462 18269 561 1 2 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.825 -0.036 18269 562 1 2 . 1 1 22 22 TYR CA C 22 61.652 61.652 60.156 1.496 18269 563 1 2 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.295 -0.021 18269 564 1 2 . 1 1 22 22 TYR H H 22 8.708 8.708 8.507 0.201 18269 565 1 2 . 1 1 23 23 LYS N N 23 116.431 116.431 117.234 -0.803 18269 566 1 2 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.897 -0.038 18269 567 1 2 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.094 1.048 18269 568 1 2 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.514 0.703 18269 569 1 2 . 1 1 23 23 LYS H H 23 7.928 7.928 7.746 0.182 18269 570 1 2 . 1 1 24 24 SER N N 24 113.888 113.888 118.280 -4.392 18269 571 1 2 . 1 1 24 24 SER HA H 24 4.325 4.325 4.127 0.198 18269 572 1 2 . 1 1 24 24 SER CA C 24 61.016 61.016 62.926 -1.910 18269 573 1 2 . 1 1 24 24 SER CB C 24 62.837 62.837 62.825 0.012 18269 574 1 2 . 1 1 24 24 SER H H 24 7.665 7.665 7.900 -0.235 18269 575 1 2 . 1 1 25 25 LEU N N 25 119.663 119.663 120.657 -0.994 18269 576 1 2 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.912 -0.233 18269 577 1 2 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.948 -0.443 18269 578 1 2 . 1 1 25 25 LEU CB C 25 41.902 41.902 40.886 1.016 18269 579 1 2 . 1 1 25 25 LEU H H 25 7.573 7.573 7.489 0.084 18269 580 1 2 . 1 1 26 26 ILE N N 26 119.781 119.781 119.173 0.608 18269 581 1 2 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.741 0.115 18269 582 1 2 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.863 -0.314 18269 583 1 2 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.783 0.522 18269 584 1 2 . 1 1 26 26 ILE H H 26 8.094 8.094 7.007 1.087 18269 585 1 2 . 1 1 27 27 ASP N N 27 122.421 122.421 120.095 2.326 18269 586 1 2 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.411 -0.035 18269 587 1 2 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.679 0.341 18269 588 1 2 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.340 -1.260 18269 589 1 2 . 1 1 27 27 ASP H H 27 9.091 9.091 7.988 1.103 18269 590 1 2 . 1 1 28 28 ARG N N 28 115.349 115.349 116.965 -1.616 18269 591 1 2 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.456 -0.151 18269 592 1 2 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.284 0.214 18269 593 1 2 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.911 0.702 18269 594 1 2 . 1 1 28 28 ARG H H 28 7.587 7.587 8.362 -0.775 18269 595 1 2 . 1 1 29 29 GLY N N 29 109.999 109.999 109.005 0.994 18269 596 1 2 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.488 1.173 18269 597 1 2 . 1 1 29 29 GLY H H 29 7.909 7.909 7.782 0.127 18269 598 1 2 . 1 1 30 30 VAL N N 30 118.740 118.740 118.201 0.539 18269 599 1 2 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.200 -0.441 18269 600 1 2 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.713 0.757 18269 601 1 2 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.940 -0.614 18269 602 1 2 . 1 1 30 30 VAL H H 30 7.701 7.701 8.502 -0.801 18269 603 1 2 . 1 1 31 31 ASN N N 31 123.250 123.250 117.643 5.607 18269 604 1 2 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.657 0.056 18269 605 1 2 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.343 1.145 18269 606 1 2 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.462 -0.252 18269 607 1 2 . 1 1 31 31 ASN H H 31 8.498 8.498 7.480 1.018 18269 608 1 2 . 1 1 32 32 PHE N N 32 126.076 126.076 111.896 14.180 18269 609 1 2 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.314 -0.176 18269 610 1 2 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.057 -1.410 18269 611 1 2 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.678 -0.899 18269 612 1 2 . 1 1 32 32 PHE H H 32 8.783 8.783 8.716 0.067 18269 613 1 2 . 1 1 33 33 SER N N 33 115.958 115.958 115.342 0.616 18269 614 1 2 . 1 1 33 33 SER HA H 33 4.736 4.736 4.863 -0.127 18269 615 1 2 . 1 1 33 33 SER CA C 33 56.745 56.745 57.300 -0.555 18269 616 1 2 . 1 1 33 33 SER CB C 33 64.899 64.899 64.490 0.409 18269 617 1 2 . 1 1 33 33 SER H H 33 7.699 7.699 7.836 -0.137 18269 618 1 2 . 1 1 34 34 LEU N N 34 124.359 124.359 128.434 -4.075 18269 619 1 2 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.072 -0.219 18269 620 1 2 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.183 1.488 18269 621 1 2 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.822 -0.276 18269 622 1 2 . 1 1 34 34 LEU H H 34 8.935 8.935 8.871 0.064 18269 623 1 2 . 1 1 35 35 ASP N N 35 115.345 115.345 117.628 -2.283 18269 624 1 2 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.458 -0.080 18269 625 1 2 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.485 -0.627 18269 626 1 2 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.570 -0.410 18269 627 1 2 . 1 1 35 35 ASP H H 35 8.575 8.575 8.601 -0.026 18269 628 1 2 . 1 1 36 36 THR N N 36 116.789 116.789 117.022 -0.233 18269 629 1 2 . 1 1 36 36 THR HA H 36 4.015 4.015 4.146 -0.131 18269 630 1 2 . 1 1 36 36 THR CA C 36 66.069 66.069 66.801 -0.732 18269 631 1 2 . 1 1 36 36 THR CB C 36 68.780 68.780 68.767 0.013 18269 632 1 2 . 1 1 36 36 THR H H 36 7.593 7.593 7.301 0.292 18269 633 1 2 . 1 1 37 37 ILE N N 37 120.685 120.685 121.561 -0.876 18269 634 1 2 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.718 -0.349 18269 635 1 2 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.817 -0.017 18269 636 1 2 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.631 -0.540 18269 637 1 2 . 1 1 37 37 ILE H H 37 8.436 8.436 8.672 -0.236 18269 638 1 2 . 1 1 38 38 GLU N N 38 118.792 118.792 121.020 -2.228 18269 639 1 2 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.919 -0.241 18269 640 1 2 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.928 1.132 18269 641 1 2 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.533 0.338 18269 642 1 2 . 1 1 38 38 GLU H H 38 8.122 8.122 8.046 0.076 18269 643 1 2 . 1 1 39 39 LYS N N 39 116.986 116.986 118.667 -1.681 18269 644 1 2 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.096 -0.135 18269 645 1 2 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.763 0.983 18269 646 1 2 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.027 0.283 18269 647 1 2 . 1 1 39 39 LYS H H 39 7.586 7.586 7.877 -0.291 18269 648 1 2 . 1 1 40 40 GLU N N 40 117.892 117.892 118.895 -1.003 18269 649 1 2 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.378 -0.173 18269 650 1 2 . 1 1 40 40 GLU CA C 40 58.359 58.359 57.864 0.495 18269 651 1 2 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.296 -0.717 18269 652 1 2 . 1 1 40 40 GLU H H 40 8.690 8.690 7.993 0.697 18269 653 1 2 . 1 1 41 41 LEU N N 41 125.830 125.830 122.940 2.890 18269 654 1 2 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.850 -0.303 18269 655 1 2 . 1 1 41 41 LEU CA C 41 57.828 57.828 57.996 -0.168 18269 656 1 2 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.697 -1.359 18269 657 1 2 . 1 1 41 41 LEU H H 41 8.978 8.978 8.141 0.837 18269 658 1 2 . 1 1 42 42 ILE N N 42 119.900 119.900 119.654 0.246 18269 659 1 2 . 1 1 42 42 ILE HA H 42 3.584 3.584 4.056 -0.472 18269 660 1 2 . 1 1 42 42 ILE CA C 42 65.832 65.832 64.372 1.460 18269 661 1 2 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.734 0.056 18269 662 1 2 . 1 1 42 42 ILE H H 42 7.884 7.884 8.164 -0.280 18269 663 1 2 . 1 1 43 43 SER N N 43 114.071 114.071 115.777 -1.706 18269 664 1 2 . 1 1 43 43 SER HA H 43 4.277 4.277 4.164 0.113 18269 665 1 2 . 1 1 43 43 SER CA C 43 61.598 61.598 61.732 -0.134 18269 666 1 2 . 1 1 43 43 SER CB C 43 62.767 62.767 63.225 -0.458 18269 667 1 2 . 1 1 43 43 SER H H 43 7.791 7.791 7.998 -0.207 18269 668 1 2 . 1 1 44 44 PHE N N 44 125.036 125.036 121.706 3.330 18269 669 1 2 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.256 0.073 18269 670 1 2 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.424 -0.167 18269 671 1 2 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.255 1.376 18269 672 1 2 . 1 1 44 44 PHE H H 44 9.060 9.060 8.772 0.288 18269 673 1 2 . 1 1 45 45 CYS N N 45 112.824 112.824 119.594 -6.770 18269 674 1 2 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.320 0.286 18269 675 1 2 . 1 1 45 45 CYS CA C 45 59.236 59.236 63.279 -4.043 18269 676 1 2 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.219 16.404 18269 677 1 2 . 1 1 45 45 CYS H H 45 8.254 8.254 8.332 -0.078 18269 678 1 2 . 1 1 46 46 LEU N N 46 123.875 123.875 117.459 6.416 18269 679 1 2 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.237 -0.062 18269 680 1 2 . 1 1 46 46 LEU CA C 46 58.151 58.151 55.929 2.222 18269 681 1 2 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.856 0.396 18269 682 1 2 . 1 1 46 46 LEU H H 46 7.776 7.776 7.625 0.151 18269 683 1 2 . 1 1 47 47 ASP N N 47 116.880 116.880 118.086 -1.206 18269 684 1 2 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.395 0.515 18269 685 1 2 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.729 -2.144 18269 686 1 2 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.444 -1.069 18269 687 1 2 . 1 1 47 47 ASP H H 47 7.852 7.852 8.000 -0.148 18269 688 1 2 . 1 1 48 48 THR N N 48 108.053 108.053 112.402 -4.349 18269 689 1 2 . 1 1 48 48 THR HA H 48 4.461 4.461 4.201 0.260 18269 690 1 2 . 1 1 48 48 THR CA C 48 60.844 60.844 62.130 -1.286 18269 691 1 2 . 1 1 48 48 THR CB C 48 73.395 73.395 70.080 3.315 18269 692 1 2 . 1 1 48 48 THR H H 48 7.139 7.139 7.498 -0.359 18269 693 1 2 . 1 1 49 49 LYS N N 49 118.308 118.308 117.554 0.754 18269 694 1 2 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.524 0.194 18269 695 1 2 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.238 -1.194 18269 696 1 2 . 1 1 49 49 LYS CB C 49 36.570 36.570 34.002 2.568 18269 697 1 2 . 1 1 49 49 LYS H H 49 8.755 8.755 8.161 0.594 18269 698 1 2 . 1 1 50 50 GLY N N 50 108.996 108.996 108.330 0.666 18269 699 1 2 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.617 -0.774 18269 700 1 2 . 1 1 50 50 GLY H H 50 8.866 8.866 8.853 0.013 18269 701 1 2 . 1 1 51 51 LYS N N 51 126.155 126.155 121.159 4.996 18269 702 1 2 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.035 -0.066 18269 703 1 2 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.487 -1.377 18269 704 1 2 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.118 0.501 18269 705 1 2 . 1 1 51 51 LYS H H 51 9.254 9.254 8.538 0.716 18269 706 1 2 . 1 1 52 52 GLU N N 52 116.496 116.496 119.338 -2.842 18269 707 1 2 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.211 -0.688 18269 708 1 2 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.477 -0.087 18269 709 1 2 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.478 -0.792 18269 710 1 2 . 1 1 52 52 GLU H H 52 8.223 8.223 8.122 0.101 18269 711 1 2 . 1 1 53 53 ASN N N 53 119.000 119.000 119.931 -0.931 18269 712 1 2 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.743 -0.359 18269 713 1 2 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.883 1.095 18269 714 1 2 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.678 0.768 18269 715 1 2 . 1 1 53 53 ASN H H 53 6.840 6.840 8.742 -1.902 18269 716 1 2 . 1 1 54 54 ARG N N 54 118.480 118.480 120.140 -1.660 18269 717 1 2 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.205 -0.436 18269 718 1 2 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.074 -0.677 18269 719 1 2 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.945 -1.205 18269 720 1 2 . 1 1 54 54 ARG H H 54 7.456 7.456 8.038 -0.582 18269 721 1 2 . 1 1 55 55 LEU N N 55 118.688 118.688 121.225 -2.537 18269 722 1 2 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.158 -0.350 18269 723 1 2 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.011 0.448 18269 724 1 2 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.840 -1.720 18269 725 1 2 . 1 1 55 55 LEU H H 55 7.843 7.843 8.077 -0.234 18269 726 1 2 . 1 1 56 56 CYS N N 56 115.905 115.905 117.423 -1.518 18269 727 1 2 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.689 0.184 18269 728 1 2 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.951 1.086 18269 729 1 2 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.165 16.740 18269 730 1 2 . 1 1 56 56 CYS H H 56 7.752 7.752 7.860 -0.108 18269 731 1 2 . 1 1 57 57 TYR N N 57 121.810 121.810 118.505 3.305 18269 732 1 2 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.080 0.063 18269 733 1 2 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.021 0.294 18269 734 1 2 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.511 -0.457 18269 735 1 2 . 1 1 57 57 TYR H H 57 7.911 7.911 7.546 0.365 18269 736 1 2 . 1 1 58 58 TYR N N 58 121.916 121.916 114.820 7.096 18269 737 1 2 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.418 -0.043 18269 738 1 2 . 1 1 58 58 TYR CA C 58 59.009 59.009 59.041 -0.033 18269 739 1 2 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.021 0.003 18269 740 1 2 . 1 1 58 58 TYR H H 58 8.334 8.334 7.161 1.173 18269 741 1 2 . 1 1 59 59 LEU N N 59 114.461 114.461 115.629 -1.168 18269 742 1 2 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.293 -0.173 18269 743 1 2 . 1 1 59 59 LEU CA C 59 55.229 55.229 54.993 0.236 18269 744 1 2 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.101 -0.056 18269 745 1 2 . 1 1 59 59 LEU H H 59 8.079 8.079 7.336 0.743 18269 746 1 2 . 1 1 60 60 GLY N N 60 102.559 102.559 105.739 -3.180 18269 747 1 2 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.363 0.209 18269 748 1 2 . 1 1 60 60 GLY H H 60 7.562 7.562 7.679 -0.117 18269 749 1 2 . 1 1 61 61 ALA N N 61 120.327 120.327 119.352 0.975 18269 750 1 2 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.694 -0.293 18269 751 1 2 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.513 -0.248 18269 752 1 2 . 1 1 61 61 ALA CB C 61 20.337 20.337 20.328 0.009 18269 753 1 2 . 1 1 61 61 ALA H H 61 7.995 7.995 7.740 0.255 18269 754 1 2 . 1 1 62 62 THR N N 62 106.895 106.895 114.279 -7.384 18269 755 1 2 . 1 1 62 62 THR HA H 62 4.518 4.518 4.334 0.184 18269 756 1 2 . 1 1 62 62 THR CA C 62 59.982 59.982 61.218 -1.236 18269 757 1 2 . 1 1 62 62 THR CB C 62 70.540 70.540 69.895 0.645 18269 758 1 2 . 1 1 62 62 THR H H 62 7.156 7.156 7.757 -0.601 18269 759 1 2 . 1 1 63 63 LYS N N 63 121.251 121.251 121.123 0.128 18269 760 1 2 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.419 -0.322 18269 761 1 2 . 1 1 63 63 LYS CA C 63 58.272 58.272 55.747 2.525 18269 762 1 2 . 1 1 63 63 LYS CB C 63 32.155 32.155 33.831 -1.676 18269 763 1 2 . 1 1 63 63 LYS H H 63 8.626 8.626 8.040 0.586 18269 764 1 2 . 1 1 64 64 ASP N N 64 116.607 116.607 119.329 -2.722 18269 765 1 2 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.352 0.205 18269 766 1 2 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.850 -0.948 18269 767 1 2 . 1 1 64 64 ASP CB C 64 40.106 40.106 40.569 -0.463 18269 768 1 2 . 1 1 64 64 ASP H H 64 8.441 8.441 8.720 -0.279 18269 769 1 2 . 1 1 65 65 ALA N N 65 122.486 122.486 120.808 1.678 18269 770 1 2 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.463 -0.378 18269 771 1 2 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.266 1.283 18269 772 1 2 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.795 -1.238 18269 773 1 2 . 1 1 65 65 ALA H H 65 7.368 7.368 7.603 -0.235 18269 774 1 2 . 1 1 66 66 ALA N N 66 124.171 124.171 121.826 2.345 18269 775 1 2 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.397 0.047 18269 776 1 2 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.248 0.223 18269 777 1 2 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.942 0.323 18269 778 1 2 . 1 1 66 66 ALA H H 66 8.300 8.300 8.543 -0.243 18269 779 1 2 . 1 1 67 67 THR N N 67 111.638 111.638 118.697 -7.059 18269 780 1 2 . 1 1 67 67 THR HA H 67 4.496 4.496 4.027 0.469 18269 781 1 2 . 1 1 67 67 THR CA C 67 60.881 60.881 64.760 -3.879 18269 782 1 2 . 1 1 67 67 THR CB C 67 70.199 70.199 68.989 1.210 18269 783 1 2 . 1 1 67 67 THR H H 67 7.730 7.730 8.635 -0.905 18269 784 1 2 . 1 1 68 68 LYS N N 68 121.732 121.732 121.801 -0.069 18269 785 1 2 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.170 0.366 18269 786 1 2 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.249 -1.687 18269 787 1 2 . 1 1 68 68 LYS CB C 68 33.099 33.099 31.595 1.504 18269 788 1 2 . 1 1 68 68 LYS H H 68 8.502 8.502 8.212 0.290 18269 789 1 2 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.857 0.482 18269 790 1 2 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.592 -1.886 18269 791 1 2 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.595 0.205 18269 792 1 2 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.968 0.163 18269 793 1 2 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.436 0.180 18269 794 1 2 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.386 0.352 18269 795 1 2 . 1 1 71 71 SER HA H 71 4.817 4.817 4.342 0.475 18269 796 1 2 . 1 1 71 71 SER CA C 71 60.667 60.667 61.412 -0.745 18269 797 1 2 . 1 1 71 71 SER CB C 71 62.646 62.646 62.745 -0.099 18269 798 1 2 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.121 0.143 18269 799 1 2 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.574 -1.945 18269 800 1 2 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.278 -1.031 18269 801 1 2 . 1 1 73 73 VAL N N 73 114.786 114.786 118.580 -3.794 18269 802 1 2 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.901 0.201 18269 803 1 2 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.413 -1.673 18269 804 1 2 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.334 0.930 18269 805 1 2 . 1 1 73 73 VAL H H 73 7.812 7.812 8.015 -0.203 18269 806 1 2 . 1 1 74 74 THR HA H 74 3.767 3.767 3.991 -0.224 18269 807 1 2 . 1 1 74 74 THR CA C 74 65.584 65.584 65.875 -0.291 18269 808 1 2 . 1 1 74 74 THR CB C 74 67.470 67.470 68.557 -1.087 18269 809 1 2 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.262 -0.016 18269 810 1 2 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.701 0.682 18269 811 1 2 . 1 1 75 75 ARG CB C 75 28.620 28.620 28.435 0.185 18269 812 1 2 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.463 0.022 18269 813 1 2 . 1 1 76 76 PRO CA C 76 65.697 65.697 64.990 0.707 18269 814 1 2 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.501 -0.606 18269 815 1 2 . 1 1 77 77 MET N N 77 117.583 117.583 116.094 1.489 18269 816 1 2 . 1 1 77 77 MET HA H 77 4.684 4.684 4.407 0.277 18269 817 1 2 . 1 1 77 77 MET CA C 77 59.347 59.347 55.712 3.635 18269 818 1 2 . 1 1 77 77 MET CB C 77 32.996 32.996 31.286 1.710 18269 819 1 2 . 1 1 77 77 MET H H 77 7.685 7.685 7.737 -0.052 18269 820 1 2 . 1 1 78 78 SER N N 78 114.578 114.578 113.558 1.020 18269 821 1 2 . 1 1 78 78 SER HA H 78 4.226 4.226 4.284 -0.058 18269 822 1 2 . 1 1 78 78 SER CA C 78 61.922 61.922 59.637 2.285 18269 823 1 2 . 1 1 78 78 SER CB C 78 62.406 62.406 64.269 -1.863 18269 824 1 2 . 1 1 78 78 SER H H 78 8.285 8.285 7.756 0.529 18269 825 1 2 . 1 1 79 79 VAL N N 79 111.248 111.248 118.771 -7.523 18269 826 1 2 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.092 0.659 18269 827 1 2 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.359 -0.233 18269 828 1 2 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.608 -4.262 18269 829 1 2 . 1 1 79 79 VAL H H 79 7.004 7.004 7.066 -0.062 18269 830 1 2 . 1 1 80 80 HIS N N 80 116.703 116.703 127.595 -10.892 18269 831 1 2 . 1 1 80 80 HIS HA H 80 4.116 4.116 5.006 -0.890 18269 832 1 2 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.657 -0.831 18269 833 1 2 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.390 -3.501 18269 834 1 2 . 1 1 80 80 HIS H H 80 8.289 8.289 8.725 -0.436 18269 835 1 2 . 1 1 81 81 MET N N 81 120.978 120.978 126.532 -5.554 18269 836 1 2 . 1 1 81 81 MET HA H 81 4.512 4.512 4.912 -0.400 18269 837 1 2 . 1 1 81 81 MET CA C 81 55.007 55.007 52.862 2.145 18269 838 1 2 . 1 1 81 81 MET CB C 81 33.265 33.265 34.919 -1.653 18269 839 1 2 . 1 1 81 81 MET H H 81 8.006 8.006 9.035 -1.029 18269 840 1 2 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.176 0.165 18269 841 1 2 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.512 -1.276 18269 842 1 2 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.367 2.296 18269 843 1 2 . 1 1 83 83 ALA N N 83 126.545 126.545 120.602 5.943 18269 844 1 2 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.760 0.186 18269 845 1 2 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.917 1.056 18269 846 1 2 . 1 1 83 83 ALA CB C 83 19.475 19.475 17.908 1.567 18269 847 1 2 . 1 1 83 83 ALA H H 83 9.196 9.196 8.115 1.081 18269 848 1 2 . 1 1 84 84 MET N N 84 114.734 114.734 117.543 -2.809 18269 849 1 2 . 1 1 84 84 MET HA H 84 4.024 4.024 4.385 -0.361 18269 850 1 2 . 1 1 84 84 MET CA C 84 58.812 58.812 58.758 0.054 18269 851 1 2 . 1 1 84 84 MET CB C 84 32.242 32.242 32.393 -0.151 18269 852 1 2 . 1 1 84 84 MET H H 84 9.289 9.289 8.061 1.228 18269 853 1 2 . 1 1 85 85 LYS N N 85 116.490 116.490 117.822 -1.332 18269 854 1 2 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.099 0.075 18269 855 1 2 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.789 -0.673 18269 856 1 2 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.741 0.052 18269 857 1 2 . 1 1 85 85 LYS H H 85 6.997 6.997 8.570 -1.573 18269 858 1 2 . 1 1 86 86 ILE N N 86 120.561 120.561 120.843 -0.282 18269 859 1 2 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.676 -0.061 18269 860 1 2 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.712 1.566 18269 861 1 2 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.617 -0.097 18269 862 1 2 . 1 1 86 86 ILE H H 86 7.875 7.875 7.360 0.515 18269 863 1 2 . 1 1 87 87 CYS N N 87 117.323 117.323 120.571 -3.248 18269 864 1 2 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.095 -0.019 18269 865 1 2 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.549 -1.489 18269 866 1 2 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.818 16.915 18269 867 1 2 . 1 1 87 87 CYS H H 87 8.643 8.643 7.921 0.722 18269 868 1 2 . 1 1 88 88 GLU N N 88 118.070 118.070 118.696 -0.626 18269 869 1 2 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.086 -0.138 18269 870 1 2 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.769 0.994 18269 871 1 2 . 1 1 88 88 GLU CB C 88 29.764 29.764 28.955 0.809 18269 872 1 2 . 1 1 88 88 GLU H H 88 8.045 8.045 7.890 0.155 18269 873 1 2 . 1 1 89 89 LYS N N 89 119.719 119.719 119.648 0.071 18269 874 1 2 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.122 0.016 18269 875 1 2 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.860 0.270 18269 876 1 2 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.512 -0.809 18269 877 1 2 . 1 1 89 89 LYS H H 89 7.530 7.530 7.795 -0.265 18269 878 1 2 . 1 1 90 90 LEU N N 90 119.550 119.550 120.643 -1.093 18269 879 1 2 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.072 -0.107 18269 880 1 2 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.953 0.390 18269 881 1 2 . 1 1 90 90 LEU CB C 90 40.991 40.991 40.788 0.202 18269 882 1 2 . 1 1 90 90 LEU H H 90 8.422 8.422 8.430 -0.008 18269 883 1 2 . 1 1 91 91 LYS N N 91 119.180 119.180 117.360 1.820 18269 884 1 2 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.276 -0.414 18269 885 1 2 . 1 1 91 91 LYS CA C 91 58.605 58.605 57.974 0.631 18269 886 1 2 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.874 0.603 18269 887 1 2 . 1 1 91 91 LYS H H 91 8.218 8.218 7.596 0.622 18269 888 1 2 . 1 1 92 92 LYS N N 92 113.632 113.632 117.590 -3.958 18269 889 1 2 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.126 -0.073 18269 890 1 2 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.963 -0.405 18269 891 1 2 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.450 -0.516 18269 892 1 2 . 1 1 92 92 LYS H H 92 6.984 6.984 7.447 -0.463 18269 893 1 2 . 1 1 93 93 LEU N N 93 119.104 119.104 119.331 -0.227 18269 894 1 2 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.356 -0.066 18269 895 1 2 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.355 -0.251 18269 896 1 2 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.430 -1.328 18269 897 1 2 . 1 1 93 93 LEU H H 93 7.456 7.456 7.511 -0.055 18269 898 1 2 . 1 1 94 94 ASP N N 94 116.790 116.790 116.138 0.652 18269 899 1 2 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.730 -0.174 18269 900 1 2 . 1 1 94 94 ASP CA C 94 54.366 54.366 54.090 0.276 18269 901 1 2 . 1 1 94 94 ASP CB C 94 41.173 41.173 43.398 -2.225 18269 902 1 2 . 1 1 94 94 ASP H H 94 7.911 7.911 8.281 -0.370 18269 903 1 2 . 1 1 95 95 SER N N 95 122.399 122.399 119.611 2.788 18269 904 1 2 . 1 1 95 95 SER HA H 95 4.186 4.186 4.305 -0.119 18269 905 1 2 . 1 1 95 95 SER CA C 95 61.472 61.472 60.343 1.129 18269 906 1 2 . 1 1 95 95 SER CB C 95 62.568 62.568 63.527 -0.959 18269 907 1 2 . 1 1 95 95 SER H H 95 8.894 8.894 8.703 0.191 18269 908 1 2 . 1 1 96 96 GLN N N 96 120.800 120.800 122.712 -1.912 18269 909 1 2 . 1 1 96 96 GLN HA H 96 3.862 3.862 3.939 -0.077 18269 910 1 2 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.498 -0.346 18269 911 1 2 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.262 0.155 18269 912 1 2 . 1 1 96 96 GLN H H 96 8.610 8.610 8.721 -0.111 18269 913 1 2 . 1 1 97 97 ILE N N 97 117.387 117.387 117.705 -0.318 18269 914 1 2 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.562 -0.163 18269 915 1 2 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.946 1.885 18269 916 1 2 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.604 0.670 18269 917 1 2 . 1 1 97 97 ILE H H 97 7.470 7.470 7.913 -0.443 18269 918 1 2 . 1 1 98 98 CYS N N 98 113.485 113.485 118.144 -4.659 18269 919 1 2 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.263 0.808 18269 920 1 2 . 1 1 98 98 CYS CA C 98 61.973 61.973 60.077 1.896 18269 921 1 2 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.714 20.872 18269 922 1 2 . 1 1 98 98 CYS H H 98 7.410 7.410 7.697 -0.287 18269 923 1 2 . 1 1 99 99 GLU N N 99 119.123 119.123 119.261 -0.138 18269 924 1 2 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.358 -0.035 18269 925 1 2 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.992 0.734 18269 926 1 2 . 1 1 99 99 GLU CB C 99 29.979 29.979 29.421 0.558 18269 927 1 2 . 1 1 99 99 GLU H H 99 7.308 7.308 7.697 -0.389 18269 928 1 2 . 1 1 100 100 LEU N N 100 115.771 115.771 120.364 -4.593 18269 929 1 2 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.035 0.262 18269 930 1 2 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.382 -0.700 18269 931 1 2 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.494 0.467 18269 932 1 2 . 1 1 100 100 LEU H H 100 6.496 6.496 7.589 -1.093 18269 933 1 2 . 1 1 101 101 LYS N N 101 125.672 125.672 112.281 13.391 18269 934 1 2 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.733 0.861 18269 935 1 2 . 1 1 101 101 LYS CA C 101 55.350 55.350 57.412 -2.062 18269 936 1 2 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.703 4.020 18269 937 1 2 . 1 1 101 101 LYS H H 101 8.575 8.575 7.604 0.971 18269 938 1 2 . 1 1 102 102 TYR N N 102 120.395 120.395 119.783 0.612 18269 939 1 2 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.487 -0.105 18269 940 1 2 . 1 1 102 102 TYR CA C 102 60.024 60.024 57.971 2.053 18269 941 1 2 . 1 1 102 102 TYR CB C 102 38.328 38.328 39.644 -1.316 18269 942 1 2 . 1 1 102 102 TYR H H 102 8.756 8.756 8.760 -0.004 18269 943 1 2 . 1 1 103 103 GLU N N 103 121.550 121.550 119.770 1.780 18269 944 1 2 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.245 0.147 18269 945 1 2 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.883 -1.556 18269 946 1 2 . 1 1 103 103 GLU CB C 103 30.302 30.302 29.769 0.533 18269 947 1 2 . 1 1 103 103 GLU H H 103 8.835 8.835 8.656 0.179 18269 948 1 2 . 1 1 104 104 LYS N N 104 122.957 122.957 118.772 4.185 18269 949 1 2 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.017 0.444 18269 950 1 2 . 1 1 104 104 LYS CA C 104 56.274 56.274 58.164 -1.891 18269 951 1 2 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.817 1.230 18269 952 1 2 . 1 1 104 104 LYS H H 104 8.490 8.490 8.630 -0.140 18269 953 1 3 . 1 1 2 2 GLU N N 2 121.590 121.590 119.181 2.409 18269 954 1 3 . 1 1 2 2 GLU HA H 2 4.294 4.294 3.876 0.418 18269 955 1 3 . 1 1 2 2 GLU CA C 2 56.517 56.517 58.908 -2.391 18269 956 1 3 . 1 1 2 2 GLU CB C 2 30.151 30.151 28.671 1.480 18269 957 1 3 . 1 1 2 2 GLU H H 2 8.621 8.621 8.742 -0.121 18269 958 1 3 . 1 1 3 3 ALA N N 3 125.815 125.815 122.327 3.488 18269 959 1 3 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.523 -0.157 18269 960 1 3 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.518 0.139 18269 961 1 3 . 1 1 3 3 ALA CB C 3 18.947 18.947 19.577 -0.630 18269 962 1 3 . 1 1 3 3 ALA H H 3 8.598 8.598 7.805 0.793 18269 963 1 3 . 1 1 4 4 GLY N N 4 108.386 108.386 106.473 1.913 18269 964 1 3 . 1 1 4 4 GLY CA C 4 45.137 45.137 44.351 0.786 18269 965 1 3 . 1 1 4 4 GLY H H 4 8.487 8.487 8.389 0.098 18269 966 1 3 . 1 1 5 5 GLY N N 5 108.367 108.367 107.684 0.683 18269 967 1 3 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.745 0.009 18269 968 1 3 . 1 1 5 5 GLY H H 5 8.274 8.274 8.011 0.263 18269 969 1 3 . 1 1 6 6 ARG N N 6 121.577 121.577 115.880 5.697 18269 970 1 3 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.227 0.448 18269 971 1 3 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.616 -1.735 18269 972 1 3 . 1 1 6 6 ARG CB C 6 30.135 30.135 28.242 1.893 18269 973 1 3 . 1 1 6 6 ARG H H 6 8.297 8.297 8.281 0.016 18269 974 1 3 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.630 -0.139 18269 975 1 3 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.159 1.194 18269 976 1 3 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.998 1.049 18269 977 1 3 . 1 1 8 8 GLY N N 8 109.658 109.658 107.701 1.957 18269 978 1 3 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.885 -0.797 18269 979 1 3 . 1 1 8 8 GLY H H 8 8.660 8.660 8.156 0.504 18269 980 1 3 . 1 1 9 9 ALA N N 9 123.995 123.995 120.201 3.794 18269 981 1 3 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.632 -0.192 18269 982 1 3 . 1 1 9 9 ALA CA C 9 51.797 51.797 53.093 -1.296 18269 983 1 3 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.199 0.080 18269 984 1 3 . 1 1 9 9 ALA H H 9 8.200 8.200 8.050 0.149 18269 985 1 3 . 1 1 10 10 ASP N N 10 119.834 119.834 118.067 1.767 18269 986 1 3 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.651 0.006 18269 987 1 3 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.498 0.042 18269 988 1 3 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.594 -0.088 18269 989 1 3 . 1 1 10 10 ASP H H 10 8.290 8.290 8.380 -0.090 18269 990 1 3 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.470 0.160 18269 991 1 3 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.631 -4.873 18269 992 1 3 . 1 1 11 11 CYS CB C 11 40.460 40.460 28.315 12.145 18269 993 1 3 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.481 -0.517 18269 994 1 3 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.302 4.075 18269 995 1 3 . 1 1 12 12 GLU CB C 12 31.255 31.255 31.278 -0.023 18269 996 1 3 . 1 1 13 13 VAL N N 13 117.224 117.224 121.107 -3.883 18269 997 1 3 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.480 0.266 18269 998 1 3 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.368 -2.322 18269 999 1 3 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.561 -0.343 18269 1000 1 3 . 1 1 13 13 VAL H H 13 7.040 7.040 7.851 -0.811 18269 1001 1 3 . 1 1 14 14 CYS HA H 14 4.085 4.085 3.995 0.090 18269 1002 1 3 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.898 -1.453 18269 1003 1 3 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.560 15.659 18269 1004 1 3 . 1 1 15 15 LYS HA H 15 4.059 4.059 3.900 0.159 18269 1005 1 3 . 1 1 15 15 LYS CA C 15 57.571 57.571 60.055 -2.484 18269 1006 1 3 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.124 0.126 18269 1007 1 3 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.154 0.177 18269 1008 1 3 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.422 -0.248 18269 1009 1 3 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.496 -0.090 18269 1010 1 3 . 1 1 16 16 GLU H H 16 8.098 8.098 8.789 -0.691 18269 1011 1 3 . 1 1 17 17 PHE N N 17 120.745 120.745 121.846 -1.101 18269 1012 1 3 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.344 -0.029 18269 1013 1 3 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.745 0.769 18269 1014 1 3 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.155 1.358 18269 1015 1 3 . 1 1 17 17 PHE H H 17 9.126 9.126 8.641 0.485 18269 1016 1 3 . 1 1 18 18 LEU N N 18 115.787 115.787 119.150 -3.363 18269 1017 1 3 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.579 0.564 18269 1018 1 3 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.244 -0.367 18269 1019 1 3 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.424 -0.472 18269 1020 1 3 . 1 1 18 18 LEU H H 18 8.505 8.505 8.054 0.451 18269 1021 1 3 . 1 1 19 19 ASN N N 19 117.635 117.635 116.988 0.647 18269 1022 1 3 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.503 0.373 18269 1023 1 3 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.834 -0.360 18269 1024 1 3 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.828 -0.500 18269 1025 1 3 . 1 1 19 19 ASN H H 19 8.405 8.405 8.073 0.332 18269 1026 1 3 . 1 1 20 20 ARG N N 20 122.851 122.851 119.411 3.440 18269 1027 1 3 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.077 0.040 18269 1028 1 3 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.273 1.016 18269 1029 1 3 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.227 0.228 18269 1030 1 3 . 1 1 20 20 ARG H H 20 8.325 8.325 8.415 -0.090 18269 1031 1 3 . 1 1 21 21 PHE N N 21 121.774 121.774 121.542 0.232 18269 1032 1 3 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.310 -0.030 18269 1033 1 3 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.878 -1.867 18269 1034 1 3 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.212 -0.201 18269 1035 1 3 . 1 1 21 21 PHE H H 21 8.438 8.438 8.486 -0.048 18269 1036 1 3 . 1 1 22 22 TYR N N 22 119.937 119.937 120.570 -0.633 18269 1037 1 3 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.837 -0.048 18269 1038 1 3 . 1 1 22 22 TYR CA C 22 61.652 61.652 59.903 1.750 18269 1039 1 3 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.173 0.101 18269 1040 1 3 . 1 1 22 22 TYR H H 22 8.708 8.708 8.168 0.540 18269 1041 1 3 . 1 1 23 23 LYS N N 23 116.431 116.431 117.631 -1.200 18269 1042 1 3 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.974 -0.115 18269 1043 1 3 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.346 0.798 18269 1044 1 3 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.311 0.906 18269 1045 1 3 . 1 1 23 23 LYS H H 23 7.928 7.928 7.861 0.067 18269 1046 1 3 . 1 1 24 24 SER N N 24 113.888 113.888 117.574 -3.686 18269 1047 1 3 . 1 1 24 24 SER HA H 24 4.325 4.325 4.218 0.107 18269 1048 1 3 . 1 1 24 24 SER CA C 24 61.016 61.016 62.170 -1.154 18269 1049 1 3 . 1 1 24 24 SER CB C 24 62.837 62.837 62.831 0.007 18269 1050 1 3 . 1 1 24 24 SER H H 24 7.665 7.665 7.806 -0.141 18269 1051 1 3 . 1 1 25 25 LEU N N 25 119.663 119.663 121.101 -1.438 18269 1052 1 3 . 1 1 25 25 LEU HA H 25 3.679 3.679 4.105 -0.426 18269 1053 1 3 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.672 -0.167 18269 1054 1 3 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.311 0.591 18269 1055 1 3 . 1 1 25 25 LEU H H 25 7.573 7.573 7.571 0.002 18269 1056 1 3 . 1 1 26 26 ILE N N 26 119.781 119.781 119.170 0.611 18269 1057 1 3 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.785 0.071 18269 1058 1 3 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.181 0.368 18269 1059 1 3 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.776 0.529 18269 1060 1 3 . 1 1 26 26 ILE H H 26 8.094 8.094 7.094 1.000 18269 1061 1 3 . 1 1 27 27 ASP N N 27 122.421 122.421 120.335 2.086 18269 1062 1 3 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.354 0.022 18269 1063 1 3 . 1 1 27 27 ASP CA C 27 57.020 57.020 57.194 -0.174 18269 1064 1 3 . 1 1 27 27 ASP CB C 27 40.080 40.080 40.876 -0.796 18269 1065 1 3 . 1 1 27 27 ASP H H 27 9.091 9.091 8.452 0.639 18269 1066 1 3 . 1 1 28 28 ARG N N 28 115.349 115.349 116.510 -1.161 18269 1067 1 3 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.245 0.060 18269 1068 1 3 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.409 0.089 18269 1069 1 3 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.844 0.769 18269 1070 1 3 . 1 1 28 28 ARG H H 28 7.587 7.587 8.245 -0.658 18269 1071 1 3 . 1 1 29 29 GLY N N 29 109.999 109.999 108.421 1.578 18269 1072 1 3 . 1 1 29 29 GLY CA C 29 46.661 46.661 46.079 0.582 18269 1073 1 3 . 1 1 29 29 GLY H H 29 7.909 7.909 7.543 0.366 18269 1074 1 3 . 1 1 30 30 VAL N N 30 118.740 118.740 113.724 5.016 18269 1075 1 3 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.205 -0.446 18269 1076 1 3 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.483 0.987 18269 1077 1 3 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.228 0.098 18269 1078 1 3 . 1 1 30 30 VAL H H 30 7.701 7.701 7.517 0.184 18269 1079 1 3 . 1 1 31 31 ASN N N 31 123.250 123.250 118.211 5.039 18269 1080 1 3 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.618 0.095 18269 1081 1 3 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.264 0.224 18269 1082 1 3 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.322 -0.111 18269 1083 1 3 . 1 1 31 31 ASN H H 31 8.498 8.498 7.355 1.143 18269 1084 1 3 . 1 1 32 32 PHE N N 32 126.076 126.076 114.507 11.569 18269 1085 1 3 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.318 -0.180 18269 1086 1 3 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.285 -1.638 18269 1087 1 3 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.491 -1.712 18269 1088 1 3 . 1 1 32 32 PHE H H 32 8.783 8.783 9.126 -0.343 18269 1089 1 3 . 1 1 33 33 SER N N 33 115.958 115.958 117.393 -1.435 18269 1090 1 3 . 1 1 33 33 SER HA H 33 4.736 4.736 4.738 -0.002 18269 1091 1 3 . 1 1 33 33 SER CA C 33 56.745 56.745 57.085 -0.340 18269 1092 1 3 . 1 1 33 33 SER CB C 33 64.899 64.899 63.773 1.126 18269 1093 1 3 . 1 1 33 33 SER H H 33 7.699 7.699 7.690 0.009 18269 1094 1 3 . 1 1 34 34 LEU N N 34 124.359 124.359 128.430 -4.071 18269 1095 1 3 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.055 -0.202 18269 1096 1 3 . 1 1 34 34 LEU CA C 34 59.671 59.671 57.864 1.806 18269 1097 1 3 . 1 1 34 34 LEU CB C 34 41.546 41.546 42.248 -0.702 18269 1098 1 3 . 1 1 34 34 LEU H H 34 8.935 8.935 8.583 0.352 18269 1099 1 3 . 1 1 35 35 ASP N N 35 115.345 115.345 117.245 -1.900 18269 1100 1 3 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.389 -0.011 18269 1101 1 3 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.869 -1.011 18269 1102 1 3 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.418 -0.258 18269 1103 1 3 . 1 1 35 35 ASP H H 35 8.575 8.575 8.597 -0.022 18269 1104 1 3 . 1 1 36 36 THR N N 36 116.789 116.789 115.161 1.628 18269 1105 1 3 . 1 1 36 36 THR HA H 36 4.015 4.015 4.050 -0.035 18269 1106 1 3 . 1 1 36 36 THR CA C 36 66.069 66.069 66.394 -0.325 18269 1107 1 3 . 1 1 36 36 THR CB C 36 68.780 68.780 68.729 0.051 18269 1108 1 3 . 1 1 36 36 THR H H 36 7.593 7.593 7.877 -0.284 18269 1109 1 3 . 1 1 37 37 ILE N N 37 120.685 120.685 121.364 -0.679 18269 1110 1 3 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.746 -0.377 18269 1111 1 3 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.716 0.084 18269 1112 1 3 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.346 -0.255 18269 1113 1 3 . 1 1 37 37 ILE H H 37 8.436 8.436 8.433 0.003 18269 1114 1 3 . 1 1 38 38 GLU N N 38 118.792 118.792 120.814 -2.022 18269 1115 1 3 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.938 -0.260 18269 1116 1 3 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.913 1.147 18269 1117 1 3 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.520 0.351 18269 1118 1 3 . 1 1 38 38 GLU H H 38 8.122 8.122 7.764 0.358 18269 1119 1 3 . 1 1 39 39 LYS N N 39 116.986 116.986 118.906 -1.920 18269 1120 1 3 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.097 -0.136 18269 1121 1 3 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.791 0.955 18269 1122 1 3 . 1 1 39 39 LYS CB C 39 32.310 32.310 31.876 0.434 18269 1123 1 3 . 1 1 39 39 LYS H H 39 7.586 7.586 7.649 -0.063 18269 1124 1 3 . 1 1 40 40 GLU N N 40 117.892 117.892 120.303 -2.411 18269 1125 1 3 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.303 -0.098 18269 1126 1 3 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.129 -0.770 18269 1127 1 3 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.558 -0.979 18269 1128 1 3 . 1 1 40 40 GLU H H 40 8.690 8.690 8.603 0.087 18269 1129 1 3 . 1 1 41 41 LEU N N 41 125.830 125.830 121.462 4.368 18269 1130 1 3 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.781 -0.234 18269 1131 1 3 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.418 -0.590 18269 1132 1 3 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.700 -1.362 18269 1133 1 3 . 1 1 41 41 LEU H H 41 8.978 8.978 8.457 0.521 18269 1134 1 3 . 1 1 42 42 ILE N N 42 119.900 119.900 119.529 0.371 18269 1135 1 3 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.707 -0.123 18269 1136 1 3 . 1 1 42 42 ILE CA C 42 65.832 65.832 64.504 1.328 18269 1137 1 3 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.676 0.114 18269 1138 1 3 . 1 1 42 42 ILE H H 42 7.884 7.884 7.961 -0.077 18269 1139 1 3 . 1 1 43 43 SER N N 43 114.071 114.071 116.382 -2.311 18269 1140 1 3 . 1 1 43 43 SER HA H 43 4.277 4.277 4.173 0.104 18269 1141 1 3 . 1 1 43 43 SER CA C 43 61.598 61.598 62.654 -1.056 18269 1142 1 3 . 1 1 43 43 SER CB C 43 62.767 62.767 63.232 -0.465 18269 1143 1 3 . 1 1 43 43 SER H H 43 7.791 7.791 8.329 -0.538 18269 1144 1 3 . 1 1 44 44 PHE N N 44 125.036 125.036 123.891 1.145 18269 1145 1 3 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.398 -0.069 18269 1146 1 3 . 1 1 44 44 PHE CA C 44 61.257 61.257 62.133 -0.876 18269 1147 1 3 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.437 1.194 18269 1148 1 3 . 1 1 44 44 PHE H H 44 9.060 9.060 8.895 0.165 18269 1149 1 3 . 1 1 45 45 CYS N N 45 112.824 112.824 118.341 -5.517 18269 1150 1 3 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.360 0.246 18269 1151 1 3 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.844 -3.608 18269 1152 1 3 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.473 17.150 18269 1153 1 3 . 1 1 45 45 CYS H H 45 8.254 8.254 8.925 -0.671 18269 1154 1 3 . 1 1 46 46 LEU N N 46 123.875 123.875 120.389 3.486 18269 1155 1 3 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.306 -0.131 18269 1156 1 3 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.327 0.824 18269 1157 1 3 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.601 -0.349 18269 1158 1 3 . 1 1 46 46 LEU H H 46 7.776 7.776 7.858 -0.082 18269 1159 1 3 . 1 1 47 47 ASP N N 47 116.880 116.880 119.220 -2.340 18269 1160 1 3 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.661 0.249 18269 1161 1 3 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.840 -1.255 18269 1162 1 3 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.576 0.799 18269 1163 1 3 . 1 1 47 47 ASP H H 47 7.852 7.852 8.381 -0.529 18269 1164 1 3 . 1 1 48 48 THR N N 48 108.053 108.053 113.270 -5.217 18269 1165 1 3 . 1 1 48 48 THR HA H 48 4.461 4.461 4.440 0.021 18269 1166 1 3 . 1 1 48 48 THR CA C 48 60.844 60.844 60.640 0.204 18269 1167 1 3 . 1 1 48 48 THR CB C 48 73.395 73.395 71.356 2.039 18269 1168 1 3 . 1 1 48 48 THR H H 48 7.139 7.139 8.015 -0.876 18269 1169 1 3 . 1 1 49 49 LYS N N 49 118.308 118.308 118.745 -0.437 18269 1170 1 3 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.684 0.034 18269 1171 1 3 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.709 -0.665 18269 1172 1 3 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.606 2.964 18269 1173 1 3 . 1 1 49 49 LYS H H 49 8.755 8.755 8.293 0.462 18269 1174 1 3 . 1 1 50 50 GLY N N 50 108.996 108.996 110.006 -1.010 18269 1175 1 3 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.598 -0.755 18269 1176 1 3 . 1 1 50 50 GLY H H 50 8.866 8.866 8.786 0.080 18269 1177 1 3 . 1 1 51 51 LYS N N 51 126.155 126.155 121.814 4.341 18269 1178 1 3 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.001 -0.031 18269 1179 1 3 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.663 -1.553 18269 1180 1 3 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.938 0.681 18269 1181 1 3 . 1 1 51 51 LYS H H 51 9.254 9.254 8.701 0.553 18269 1182 1 3 . 1 1 52 52 GLU N N 52 116.496 116.496 119.089 -2.593 18269 1183 1 3 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.059 -0.536 18269 1184 1 3 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.607 -0.217 18269 1185 1 3 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.737 -1.051 18269 1186 1 3 . 1 1 52 52 GLU H H 52 8.223 8.223 8.029 0.194 18269 1187 1 3 . 1 1 53 53 ASN N N 53 119.000 119.000 118.955 0.045 18269 1188 1 3 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.784 -0.400 18269 1189 1 3 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.782 1.196 18269 1190 1 3 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.669 0.777 18269 1191 1 3 . 1 1 53 53 ASN H H 53 6.840 6.840 8.627 -1.787 18269 1192 1 3 . 1 1 54 54 ARG N N 54 118.480 118.480 119.528 -1.048 18269 1193 1 3 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.422 -0.653 18269 1194 1 3 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.157 -0.760 18269 1195 1 3 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.211 -1.471 18269 1196 1 3 . 1 1 54 54 ARG H H 54 7.456 7.456 8.255 -0.799 18269 1197 1 3 . 1 1 55 55 LEU N N 55 118.688 118.688 121.843 -3.155 18269 1198 1 3 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.150 -0.342 18269 1199 1 3 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.290 0.169 18269 1200 1 3 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.907 -1.787 18269 1201 1 3 . 1 1 55 55 LEU H H 55 7.843 7.843 8.170 -0.327 18269 1202 1 3 . 1 1 56 56 CYS N N 56 115.905 115.905 116.072 -0.167 18269 1203 1 3 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.939 -0.066 18269 1204 1 3 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.707 1.330 18269 1205 1 3 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.558 17.347 18269 1206 1 3 . 1 1 56 56 CYS H H 56 7.752 7.752 7.779 -0.027 18269 1207 1 3 . 1 1 57 57 TYR N N 57 121.810 121.810 119.224 2.586 18269 1208 1 3 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.125 0.018 18269 1209 1 3 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.217 0.098 18269 1210 1 3 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.708 -0.654 18269 1211 1 3 . 1 1 57 57 TYR H H 57 7.911 7.911 7.905 0.006 18269 1212 1 3 . 1 1 58 58 TYR N N 58 121.916 121.916 117.031 4.885 18269 1213 1 3 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.364 0.011 18269 1214 1 3 . 1 1 58 58 TYR CA C 58 59.009 59.009 61.063 -2.054 18269 1215 1 3 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.647 -0.623 18269 1216 1 3 . 1 1 58 58 TYR H H 58 8.334 8.334 7.903 0.431 18269 1217 1 3 . 1 1 59 59 LEU N N 59 114.461 114.461 116.148 -1.687 18269 1218 1 3 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.022 0.098 18269 1219 1 3 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.963 -0.734 18269 1220 1 3 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.355 -0.310 18269 1221 1 3 . 1 1 59 59 LEU H H 59 8.079 8.079 7.888 0.191 18269 1222 1 3 . 1 1 60 60 GLY N N 60 102.559 102.559 104.243 -1.684 18269 1223 1 3 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.325 0.247 18269 1224 1 3 . 1 1 60 60 GLY H H 60 7.562 7.562 7.938 -0.376 18269 1225 1 3 . 1 1 61 61 ALA N N 61 120.327 120.327 126.463 -6.136 18269 1226 1 3 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.394 0.007 18269 1227 1 3 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.574 -0.309 18269 1228 1 3 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.078 2.259 18269 1229 1 3 . 1 1 61 61 ALA H H 61 7.995 7.995 7.518 0.477 18269 1230 1 3 . 1 1 62 62 THR N N 62 106.895 106.895 117.573 -10.678 18269 1231 1 3 . 1 1 62 62 THR HA H 62 4.518 4.518 4.391 0.127 18269 1232 1 3 . 1 1 62 62 THR CA C 62 59.982 59.982 60.890 -0.908 18269 1233 1 3 . 1 1 62 62 THR CB C 62 70.540 70.540 71.734 -1.194 18269 1234 1 3 . 1 1 62 62 THR H H 62 7.156 7.156 7.659 -0.503 18269 1235 1 3 . 1 1 63 63 LYS N N 63 121.251 121.251 120.361 0.890 18269 1236 1 3 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.122 -0.025 18269 1237 1 3 . 1 1 63 63 LYS CA C 63 58.272 58.272 58.510 -0.238 18269 1238 1 3 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.581 -0.426 18269 1239 1 3 . 1 1 63 63 LYS H H 63 8.626 8.626 8.496 0.130 18269 1240 1 3 . 1 1 64 64 ASP N N 64 116.607 116.607 118.504 -1.897 18269 1241 1 3 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.711 -0.154 18269 1242 1 3 . 1 1 64 64 ASP CA C 64 53.902 53.902 53.748 0.154 18269 1243 1 3 . 1 1 64 64 ASP CB C 64 40.106 40.106 42.119 -2.013 18269 1244 1 3 . 1 1 64 64 ASP H H 64 8.441 8.441 7.743 0.698 18269 1245 1 3 . 1 1 65 65 ALA N N 65 122.486 122.486 120.527 1.959 18269 1246 1 3 . 1 1 65 65 ALA HA H 65 4.085 4.085 3.976 0.109 18269 1247 1 3 . 1 1 65 65 ALA CA C 65 52.549 52.549 52.848 -0.299 18269 1248 1 3 . 1 1 65 65 ALA CB C 65 19.557 19.557 18.349 1.208 18269 1249 1 3 . 1 1 65 65 ALA H H 65 7.368 7.368 8.267 -0.899 18269 1250 1 3 . 1 1 66 66 ALA N N 66 124.171 124.171 122.708 1.463 18269 1251 1 3 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.518 -0.074 18269 1252 1 3 . 1 1 66 66 ALA CA C 66 52.471 52.471 51.311 1.160 18269 1253 1 3 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.530 -0.265 18269 1254 1 3 . 1 1 66 66 ALA H H 66 8.300 8.300 8.499 -0.199 18269 1255 1 3 . 1 1 67 67 THR N N 67 111.638 111.638 115.413 -3.775 18269 1256 1 3 . 1 1 67 67 THR HA H 67 4.496 4.496 4.194 0.302 18269 1257 1 3 . 1 1 67 67 THR CA C 67 60.881 60.881 63.539 -2.658 18269 1258 1 3 . 1 1 67 67 THR CB C 67 70.199 70.199 69.234 0.965 18269 1259 1 3 . 1 1 67 67 THR H H 67 7.730 7.730 8.538 -0.808 18269 1260 1 3 . 1 1 68 68 LYS N N 68 121.732 121.732 122.027 -0.295 18269 1261 1 3 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.212 0.324 18269 1262 1 3 . 1 1 68 68 LYS CA C 68 56.562 56.562 57.696 -1.134 18269 1263 1 3 . 1 1 68 68 LYS CB C 68 33.099 33.099 31.839 1.260 18269 1264 1 3 . 1 1 68 68 LYS H H 68 8.502 8.502 8.183 0.319 18269 1265 1 3 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.834 0.505 18269 1266 1 3 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.565 -1.859 18269 1267 1 3 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.602 0.198 18269 1268 1 3 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.980 0.151 18269 1269 1 3 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.102 0.513 18269 1270 1 3 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.642 0.096 18269 1271 1 3 . 1 1 71 71 SER HA H 71 4.817 4.817 4.260 0.557 18269 1272 1 3 . 1 1 71 71 SER CA C 71 60.667 60.667 60.961 -0.294 18269 1273 1 3 . 1 1 71 71 SER CB C 71 62.646 62.646 62.335 0.311 18269 1274 1 3 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.162 0.102 18269 1275 1 3 . 1 1 72 72 GLU CA C 72 56.629 56.629 59.115 -2.486 18269 1276 1 3 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.278 -1.031 18269 1277 1 3 . 1 1 73 73 VAL N N 73 114.786 114.786 119.688 -4.902 18269 1278 1 3 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.698 0.404 18269 1279 1 3 . 1 1 73 73 VAL CA C 73 63.741 63.741 66.240 -2.499 18269 1280 1 3 . 1 1 73 73 VAL CB C 73 33.265 33.265 30.851 2.414 18269 1281 1 3 . 1 1 73 73 VAL H H 73 7.812 7.812 7.896 -0.084 18269 1282 1 3 . 1 1 74 74 THR HA H 74 3.767 3.767 3.908 -0.141 18269 1283 1 3 . 1 1 74 74 THR CA C 74 65.584 65.584 65.647 -0.063 18269 1284 1 3 . 1 1 74 74 THR CB C 74 67.470 67.470 68.647 -1.177 18269 1285 1 3 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.226 0.020 18269 1286 1 3 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.226 1.157 18269 1287 1 3 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.830 0.790 18269 1288 1 3 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.365 0.120 18269 1289 1 3 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.166 0.531 18269 1290 1 3 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.430 -0.535 18269 1291 1 3 . 1 1 77 77 MET N N 77 117.583 117.583 115.027 2.556 18269 1292 1 3 . 1 1 77 77 MET HA H 77 4.684 4.684 4.107 0.577 18269 1293 1 3 . 1 1 77 77 MET CA C 77 59.347 59.347 55.917 3.430 18269 1294 1 3 . 1 1 77 77 MET CB C 77 32.996 32.996 30.920 2.076 18269 1295 1 3 . 1 1 77 77 MET H H 77 7.685 7.685 7.864 -0.179 18269 1296 1 3 . 1 1 78 78 SER N N 78 114.578 114.578 113.884 0.694 18269 1297 1 3 . 1 1 78 78 SER HA H 78 4.226 4.226 4.441 -0.215 18269 1298 1 3 . 1 1 78 78 SER CA C 78 61.922 61.922 60.048 1.874 18269 1299 1 3 . 1 1 78 78 SER CB C 78 62.406 62.406 64.013 -1.607 18269 1300 1 3 . 1 1 78 78 SER H H 78 8.285 8.285 7.725 0.560 18269 1301 1 3 . 1 1 79 79 VAL N N 79 111.248 111.248 114.993 -3.745 18269 1302 1 3 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.574 0.177 18269 1303 1 3 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.049 0.077 18269 1304 1 3 . 1 1 79 79 VAL CB C 79 30.346 30.346 33.446 -3.100 18269 1305 1 3 . 1 1 79 79 VAL H H 79 7.004 7.004 7.342 -0.338 18269 1306 1 3 . 1 1 80 80 HIS N N 80 116.703 116.703 121.683 -4.980 18269 1307 1 3 . 1 1 80 80 HIS HA H 80 4.116 4.116 5.620 -1.504 18269 1308 1 3 . 1 1 80 80 HIS CA C 80 56.826 56.826 55.693 1.133 18269 1309 1 3 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.277 -3.388 18269 1310 1 3 . 1 1 80 80 HIS H H 80 8.289 8.289 8.724 -0.435 18269 1311 1 3 . 1 1 81 81 MET N N 81 120.978 120.978 125.527 -4.549 18269 1312 1 3 . 1 1 81 81 MET HA H 81 4.512 4.512 4.848 -0.336 18269 1313 1 3 . 1 1 81 81 MET CA C 81 55.007 55.007 52.365 2.642 18269 1314 1 3 . 1 1 81 81 MET CB C 81 33.265 33.265 34.716 -1.451 18269 1315 1 3 . 1 1 81 81 MET H H 81 8.006 8.006 8.102 -0.096 18269 1316 1 3 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.141 0.200 18269 1317 1 3 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.421 -1.185 18269 1318 1 3 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.457 2.206 18269 1319 1 3 . 1 1 83 83 ALA N N 83 126.545 126.545 120.948 5.597 18269 1320 1 3 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.846 0.100 18269 1321 1 3 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.031 0.942 18269 1322 1 3 . 1 1 83 83 ALA CB C 83 19.475 19.475 17.963 1.512 18269 1323 1 3 . 1 1 83 83 ALA H H 83 9.196 9.196 8.165 1.031 18269 1324 1 3 . 1 1 84 84 MET N N 84 114.734 114.734 115.669 -0.935 18269 1325 1 3 . 1 1 84 84 MET HA H 84 4.024 4.024 4.606 -0.582 18269 1326 1 3 . 1 1 84 84 MET CA C 84 58.812 58.812 58.105 0.707 18269 1327 1 3 . 1 1 84 84 MET CB C 84 32.242 32.242 31.901 0.341 18269 1328 1 3 . 1 1 84 84 MET H H 84 9.289 9.289 7.966 1.323 18269 1329 1 3 . 1 1 85 85 LYS N N 85 116.490 116.490 119.674 -3.184 18269 1330 1 3 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.141 0.033 18269 1331 1 3 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.751 -0.635 18269 1332 1 3 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.855 -0.062 18269 1333 1 3 . 1 1 85 85 LYS H H 85 6.997 6.997 8.219 -1.222 18269 1334 1 3 . 1 1 86 86 ILE N N 86 120.561 120.561 119.999 0.562 18269 1335 1 3 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.723 -0.108 18269 1336 1 3 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.606 1.673 18269 1337 1 3 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.630 -0.110 18269 1338 1 3 . 1 1 86 86 ILE H H 86 7.875 7.875 7.700 0.175 18269 1339 1 3 . 1 1 87 87 CYS N N 87 117.323 117.323 119.980 -2.657 18269 1340 1 3 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.122 -0.046 18269 1341 1 3 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.471 -1.411 18269 1342 1 3 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.822 16.911 18269 1343 1 3 . 1 1 87 87 CYS H H 87 8.643 8.643 7.833 0.810 18269 1344 1 3 . 1 1 88 88 GLU N N 88 118.070 118.070 119.386 -1.316 18269 1345 1 3 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.092 -0.144 18269 1346 1 3 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.848 0.915 18269 1347 1 3 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.022 0.742 18269 1348 1 3 . 1 1 88 88 GLU H H 88 8.045 8.045 7.848 0.197 18269 1349 1 3 . 1 1 89 89 LYS N N 89 119.719 119.719 118.707 1.012 18269 1350 1 3 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.174 -0.036 18269 1351 1 3 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.708 0.422 18269 1352 1 3 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.760 -1.057 18269 1353 1 3 . 1 1 89 89 LYS H H 89 7.530 7.530 7.619 -0.089 18269 1354 1 3 . 1 1 90 90 LEU N N 90 119.550 119.550 120.545 -0.995 18269 1355 1 3 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.029 -0.064 18269 1356 1 3 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.396 -0.053 18269 1357 1 3 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.445 -0.454 18269 1358 1 3 . 1 1 90 90 LEU H H 90 8.422 8.422 8.307 0.115 18269 1359 1 3 . 1 1 91 91 LYS N N 91 119.180 119.180 119.458 -0.278 18269 1360 1 3 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.231 -0.369 18269 1361 1 3 . 1 1 91 91 LYS CA C 91 58.605 58.605 59.352 -0.747 18269 1362 1 3 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.921 0.556 18269 1363 1 3 . 1 1 91 91 LYS H H 91 8.218 8.218 7.898 0.320 18269 1364 1 3 . 1 1 92 92 LYS N N 92 113.632 113.632 118.342 -4.710 18269 1365 1 3 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.139 -0.086 18269 1366 1 3 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.724 -1.166 18269 1367 1 3 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.308 -0.374 18269 1368 1 3 . 1 1 92 92 LYS H H 92 6.984 6.984 7.429 -0.445 18269 1369 1 3 . 1 1 93 93 LEU N N 93 119.104 119.104 118.948 0.156 18269 1370 1 3 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.318 -0.028 18269 1371 1 3 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.373 -0.269 18269 1372 1 3 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.329 -1.227 18269 1373 1 3 . 1 1 93 93 LEU H H 93 7.456 7.456 7.588 -0.132 18269 1374 1 3 . 1 1 94 94 ASP N N 94 116.790 116.790 118.880 -2.090 18269 1375 1 3 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.765 -0.209 18269 1376 1 3 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.505 0.861 18269 1377 1 3 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.375 -1.202 18269 1378 1 3 . 1 1 94 94 ASP H H 94 7.911 7.911 8.408 -0.497 18269 1379 1 3 . 1 1 95 95 SER N N 95 122.399 122.399 121.175 1.224 18269 1380 1 3 . 1 1 95 95 SER HA H 95 4.186 4.186 4.371 -0.185 18269 1381 1 3 . 1 1 95 95 SER CA C 95 61.472 61.472 60.154 1.317 18269 1382 1 3 . 1 1 95 95 SER CB C 95 62.568 62.568 63.343 -0.775 18269 1383 1 3 . 1 1 95 95 SER H H 95 8.894 8.894 8.818 0.076 18269 1384 1 3 . 1 1 96 96 GLN N N 96 120.800 120.800 121.975 -1.175 18269 1385 1 3 . 1 1 96 96 GLN HA H 96 3.862 3.862 3.989 -0.127 18269 1386 1 3 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.153 -0.001 18269 1387 1 3 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.023 0.394 18269 1388 1 3 . 1 1 96 96 GLN H H 96 8.610 8.610 7.708 0.902 18269 1389 1 3 . 1 1 97 97 ILE N N 97 117.387 117.387 118.720 -1.333 18269 1390 1 3 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.276 0.123 18269 1391 1 3 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.604 1.227 18269 1392 1 3 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.660 0.614 18269 1393 1 3 . 1 1 97 97 ILE H H 97 7.470 7.470 8.345 -0.875 18269 1394 1 3 . 1 1 98 98 CYS N N 98 113.485 113.485 118.681 -5.196 18269 1395 1 3 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.191 0.880 18269 1396 1 3 . 1 1 98 98 CYS CA C 98 61.973 61.973 61.137 0.836 18269 1397 1 3 . 1 1 98 98 CYS CB C 98 48.586 48.586 26.429 22.157 18269 1398 1 3 . 1 1 98 98 CYS H H 98 7.410 7.410 7.456 -0.046 18269 1399 1 3 . 1 1 99 99 GLU N N 99 119.123 119.123 117.660 1.463 18269 1400 1 3 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.278 0.045 18269 1401 1 3 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.959 0.767 18269 1402 1 3 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.672 1.307 18269 1403 1 3 . 1 1 99 99 GLU H H 99 7.308 7.308 7.874 -0.566 18269 1404 1 3 . 1 1 100 100 LEU N N 100 115.771 115.771 122.350 -6.579 18269 1405 1 3 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.149 0.148 18269 1406 1 3 . 1 1 100 100 LEU CA C 100 55.682 55.682 54.712 0.970 18269 1407 1 3 . 1 1 100 100 LEU CB C 100 42.961 42.961 41.435 1.526 18269 1408 1 3 . 1 1 100 100 LEU H H 100 6.496 6.496 7.212 -0.716 18269 1409 1 3 . 1 1 101 101 LYS N N 101 125.672 125.672 123.210 2.462 18269 1410 1 3 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.498 0.096 18269 1411 1 3 . 1 1 101 101 LYS CA C 101 55.350 55.350 54.469 0.881 18269 1412 1 3 . 1 1 101 101 LYS CB C 101 35.723 35.723 34.808 0.915 18269 1413 1 3 . 1 1 101 101 LYS H H 101 8.575 8.575 8.007 0.568 18269 1414 1 3 . 1 1 102 102 TYR N N 102 120.395 120.395 122.921 -2.526 18269 1415 1 3 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.379 0.003 18269 1416 1 3 . 1 1 102 102 TYR CA C 102 60.024 60.024 58.765 1.259 18269 1417 1 3 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.513 -0.185 18269 1418 1 3 . 1 1 102 102 TYR H H 102 8.756 8.756 9.516 -0.760 18269 1419 1 3 . 1 1 103 103 GLU N N 103 121.550 121.550 119.979 1.571 18269 1420 1 3 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.148 0.244 18269 1421 1 3 . 1 1 103 103 GLU CA C 103 56.327 56.327 59.020 -2.693 18269 1422 1 3 . 1 1 103 103 GLU CB C 103 30.302 30.302 29.706 0.596 18269 1423 1 3 . 1 1 103 103 GLU H H 103 8.835 8.835 8.783 0.052 18269 1424 1 3 . 1 1 104 104 LYS N N 104 122.957 122.957 115.831 7.126 18269 1425 1 3 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.401 0.060 18269 1426 1 3 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.750 -0.476 18269 1427 1 3 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.980 0.067 18269 1428 1 3 . 1 1 104 104 LYS H H 104 8.490 8.490 8.027 0.463 18269 1429 1 4 . 1 1 2 2 GLU N N 2 121.590 121.590 120.768 0.822 18269 1430 1 4 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.090 0.204 18269 1431 1 4 . 1 1 2 2 GLU CA C 2 56.517 56.517 56.818 -0.301 18269 1432 1 4 . 1 1 2 2 GLU CB C 2 30.151 30.151 28.709 1.442 18269 1433 1 4 . 1 1 2 2 GLU H H 2 8.621 8.621 8.618 0.003 18269 1434 1 4 . 1 1 3 3 ALA N N 3 125.815 125.815 124.373 1.442 18269 1435 1 4 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.210 0.156 18269 1436 1 4 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.537 0.120 18269 1437 1 4 . 1 1 3 3 ALA CB C 3 18.947 18.947 18.837 0.110 18269 1438 1 4 . 1 1 3 3 ALA H H 3 8.598 8.598 8.580 0.018 18269 1439 1 4 . 1 1 4 4 GLY N N 4 108.386 108.386 107.541 0.845 18269 1440 1 4 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.328 -0.191 18269 1441 1 4 . 1 1 4 4 GLY H H 4 8.487 8.487 8.249 0.238 18269 1442 1 4 . 1 1 5 5 GLY N N 5 108.367 108.367 108.954 -0.587 18269 1443 1 4 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.245 0.509 18269 1444 1 4 . 1 1 5 5 GLY H H 5 8.274 8.274 7.860 0.414 18269 1445 1 4 . 1 1 6 6 ARG N N 6 121.577 121.577 117.260 4.317 18269 1446 1 4 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.318 0.357 18269 1447 1 4 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.199 -1.318 18269 1448 1 4 . 1 1 6 6 ARG CB C 6 30.135 30.135 27.350 2.785 18269 1449 1 4 . 1 1 6 6 ARG H H 6 8.297 8.297 8.008 0.289 18269 1450 1 4 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.655 -0.164 18269 1451 1 4 . 1 1 7 7 PRO CA C 7 63.353 63.353 61.940 1.413 18269 1452 1 4 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.098 0.949 18269 1453 1 4 . 1 1 8 8 GLY N N 8 109.658 109.658 106.799 2.859 18269 1454 1 4 . 1 1 8 8 GLY CA C 8 45.088 45.088 44.686 0.402 18269 1455 1 4 . 1 1 8 8 GLY H H 8 8.660 8.660 7.874 0.786 18269 1456 1 4 . 1 1 9 9 ALA N N 9 123.995 123.995 121.515 2.480 18269 1457 1 4 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.383 0.057 18269 1458 1 4 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.583 -0.786 18269 1459 1 4 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.231 0.048 18269 1460 1 4 . 1 1 9 9 ALA H H 9 8.200 8.200 7.416 0.784 18269 1461 1 4 . 1 1 10 10 ASP N N 10 119.834 119.834 119.221 0.613 18269 1462 1 4 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.679 -0.022 18269 1463 1 4 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.222 -0.682 18269 1464 1 4 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.725 -0.219 18269 1465 1 4 . 1 1 10 10 ASP H H 10 8.290 8.290 8.649 -0.359 18269 1466 1 4 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.248 0.382 18269 1467 1 4 . 1 1 11 11 CYS CA C 11 54.758 54.758 61.618 -6.860 18269 1468 1 4 . 1 1 11 11 CYS CB C 11 40.460 40.460 26.811 13.649 18269 1469 1 4 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.268 -0.304 18269 1470 1 4 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.361 4.016 18269 1471 1 4 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.556 1.698 18269 1472 1 4 . 1 1 13 13 VAL N N 13 117.224 117.224 121.889 -4.665 18269 1473 1 4 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.675 0.071 18269 1474 1 4 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.247 -2.201 18269 1475 1 4 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.795 -0.577 18269 1476 1 4 . 1 1 13 13 VAL H H 13 7.040 7.040 8.359 -1.319 18269 1477 1 4 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.216 -0.131 18269 1478 1 4 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.120 0.325 18269 1479 1 4 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.745 15.473 18269 1480 1 4 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.220 -0.161 18269 1481 1 4 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.263 -1.692 18269 1482 1 4 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.288 -0.039 18269 1483 1 4 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.136 0.195 18269 1484 1 4 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.746 -0.572 18269 1485 1 4 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.386 0.020 18269 1486 1 4 . 1 1 16 16 GLU H H 16 8.098 8.098 7.990 0.108 18269 1487 1 4 . 1 1 17 17 PHE N N 17 120.745 120.745 121.411 -0.666 18269 1488 1 4 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.433 -0.118 18269 1489 1 4 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.991 0.523 18269 1490 1 4 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.353 1.160 18269 1491 1 4 . 1 1 17 17 PHE H H 17 9.126 9.126 8.090 1.036 18269 1492 1 4 . 1 1 18 18 LEU N N 18 115.787 115.787 119.387 -3.600 18269 1493 1 4 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.910 0.233 18269 1494 1 4 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.516 -0.639 18269 1495 1 4 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.481 -0.529 18269 1496 1 4 . 1 1 18 18 LEU H H 18 8.505 8.505 8.825 -0.320 18269 1497 1 4 . 1 1 19 19 ASN N N 19 117.635 117.635 117.019 0.616 18269 1498 1 4 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.350 0.526 18269 1499 1 4 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.707 -0.233 18269 1500 1 4 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.797 -0.469 18269 1501 1 4 . 1 1 19 19 ASN H H 19 8.405 8.405 8.471 -0.066 18269 1502 1 4 . 1 1 20 20 ARG N N 20 122.851 122.851 119.747 3.104 18269 1503 1 4 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.034 0.083 18269 1504 1 4 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.464 0.825 18269 1505 1 4 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.239 0.215 18269 1506 1 4 . 1 1 20 20 ARG H H 20 8.325 8.325 7.760 0.566 18269 1507 1 4 . 1 1 21 21 PHE N N 21 121.774 121.774 121.613 0.161 18269 1508 1 4 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.125 0.155 18269 1509 1 4 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.301 -1.290 18269 1510 1 4 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.277 -0.266 18269 1511 1 4 . 1 1 21 21 PHE H H 21 8.438 8.438 8.392 0.046 18269 1512 1 4 . 1 1 22 22 TYR N N 22 119.937 119.937 120.445 -0.508 18269 1513 1 4 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.725 0.064 18269 1514 1 4 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.319 -0.667 18269 1515 1 4 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.476 -0.202 18269 1516 1 4 . 1 1 22 22 TYR H H 22 8.708 8.708 8.606 0.102 18269 1517 1 4 . 1 1 23 23 LYS N N 23 116.431 116.431 117.328 -0.897 18269 1518 1 4 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.945 -0.086 18269 1519 1 4 . 1 1 23 23 LYS CA C 23 59.143 59.143 59.027 0.116 18269 1520 1 4 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.529 0.688 18269 1521 1 4 . 1 1 23 23 LYS H H 23 7.928 7.928 8.480 -0.552 18269 1522 1 4 . 1 1 24 24 SER N N 24 113.888 113.888 115.754 -1.866 18269 1523 1 4 . 1 1 24 24 SER HA H 24 4.325 4.325 4.175 0.150 18269 1524 1 4 . 1 1 24 24 SER CA C 24 61.016 61.016 61.580 -0.564 18269 1525 1 4 . 1 1 24 24 SER CB C 24 62.837 62.837 62.720 0.117 18269 1526 1 4 . 1 1 24 24 SER H H 24 7.665 7.665 7.707 -0.042 18269 1527 1 4 . 1 1 25 25 LEU N N 25 119.663 119.663 121.590 -1.927 18269 1528 1 4 . 1 1 25 25 LEU HA H 25 3.679 3.679 4.009 -0.330 18269 1529 1 4 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.754 -0.249 18269 1530 1 4 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.566 0.336 18269 1531 1 4 . 1 1 25 25 LEU H H 25 7.573 7.573 7.483 0.090 18269 1532 1 4 . 1 1 26 26 ILE N N 26 119.781 119.781 119.264 0.517 18269 1533 1 4 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.605 0.251 18269 1534 1 4 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.164 0.385 18269 1535 1 4 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.590 0.715 18269 1536 1 4 . 1 1 26 26 ILE H H 26 8.094 8.094 7.496 0.598 18269 1537 1 4 . 1 1 27 27 ASP N N 27 122.421 122.421 119.965 2.456 18269 1538 1 4 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.436 -0.060 18269 1539 1 4 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.752 0.268 18269 1540 1 4 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.288 -1.208 18269 1541 1 4 . 1 1 27 27 ASP H H 27 9.091 9.091 8.311 0.780 18269 1542 1 4 . 1 1 28 28 ARG N N 28 115.349 115.349 118.957 -3.608 18269 1543 1 4 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.352 -0.047 18269 1544 1 4 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.559 -0.061 18269 1545 1 4 . 1 1 28 28 ARG CB C 28 31.613 31.613 31.180 0.433 18269 1546 1 4 . 1 1 28 28 ARG H H 28 7.587 7.587 7.748 -0.161 18269 1547 1 4 . 1 1 29 29 GLY N N 29 109.999 109.999 107.338 2.661 18269 1548 1 4 . 1 1 29 29 GLY CA C 29 46.661 46.661 44.939 1.722 18269 1549 1 4 . 1 1 29 29 GLY H H 29 7.909 7.909 8.100 -0.191 18269 1550 1 4 . 1 1 30 30 VAL N N 30 118.740 118.740 122.356 -3.616 18269 1551 1 4 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.154 -0.395 18269 1552 1 4 . 1 1 30 30 VAL CA C 30 62.470 62.470 62.162 0.308 18269 1553 1 4 . 1 1 30 30 VAL CB C 30 32.326 32.326 31.438 0.888 18269 1554 1 4 . 1 1 30 30 VAL H H 30 7.701 7.701 7.559 0.142 18269 1555 1 4 . 1 1 31 31 ASN N N 31 123.250 123.250 125.732 -2.482 18269 1556 1 4 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.774 -0.061 18269 1557 1 4 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.412 1.076 18269 1558 1 4 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.085 -0.874 18269 1559 1 4 . 1 1 31 31 ASN H H 31 8.498 8.498 7.779 0.719 18269 1560 1 4 . 1 1 32 32 PHE N N 32 126.076 126.076 115.748 10.328 18269 1561 1 4 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.303 -0.165 18269 1562 1 4 . 1 1 32 32 PHE CA C 32 58.647 58.647 59.457 -0.810 18269 1563 1 4 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.608 -0.830 18269 1564 1 4 . 1 1 32 32 PHE H H 32 8.783 8.783 8.509 0.274 18269 1565 1 4 . 1 1 33 33 SER N N 33 115.958 115.958 114.192 1.766 18269 1566 1 4 . 1 1 33 33 SER HA H 33 4.736 4.736 4.695 0.041 18269 1567 1 4 . 1 1 33 33 SER CA C 33 56.745 56.745 57.611 -0.866 18269 1568 1 4 . 1 1 33 33 SER CB C 33 64.899 64.899 64.725 0.174 18269 1569 1 4 . 1 1 33 33 SER H H 33 7.699 7.699 7.851 -0.152 18269 1570 1 4 . 1 1 34 34 LEU N N 34 124.359 124.359 127.856 -3.497 18269 1571 1 4 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.035 -0.182 18269 1572 1 4 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.209 1.462 18269 1573 1 4 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.489 0.057 18269 1574 1 4 . 1 1 34 34 LEU H H 34 8.935 8.935 8.664 0.271 18269 1575 1 4 . 1 1 35 35 ASP N N 35 115.345 115.345 117.883 -2.538 18269 1576 1 4 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.432 -0.054 18269 1577 1 4 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.911 -1.053 18269 1578 1 4 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.426 -0.266 18269 1579 1 4 . 1 1 35 35 ASP H H 35 8.575 8.575 8.741 -0.166 18269 1580 1 4 . 1 1 36 36 THR N N 36 116.789 116.789 116.608 0.181 18269 1581 1 4 . 1 1 36 36 THR HA H 36 4.015 4.015 4.107 -0.092 18269 1582 1 4 . 1 1 36 36 THR CA C 36 66.069 66.069 66.356 -0.287 18269 1583 1 4 . 1 1 36 36 THR CB C 36 68.780 68.780 68.946 -0.166 18269 1584 1 4 . 1 1 36 36 THR H H 36 7.593 7.593 7.252 0.341 18269 1585 1 4 . 1 1 37 37 ILE N N 37 120.685 120.685 121.476 -0.791 18269 1586 1 4 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.828 -0.459 18269 1587 1 4 . 1 1 37 37 ILE CA C 37 65.800 65.800 63.431 2.369 18269 1588 1 4 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.244 0.847 18269 1589 1 4 . 1 1 37 37 ILE H H 37 8.436 8.436 8.661 -0.225 18269 1590 1 4 . 1 1 38 38 GLU N N 38 118.792 118.792 121.014 -2.222 18269 1591 1 4 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.942 -0.264 18269 1592 1 4 . 1 1 38 38 GLU CA C 38 61.060 61.060 60.008 1.052 18269 1593 1 4 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.588 0.283 18269 1594 1 4 . 1 1 38 38 GLU H H 38 8.122 8.122 8.162 -0.040 18269 1595 1 4 . 1 1 39 39 LYS N N 39 116.986 116.986 117.612 -0.626 18269 1596 1 4 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.240 -0.279 18269 1597 1 4 . 1 1 39 39 LYS CA C 39 59.746 59.746 57.656 2.090 18269 1598 1 4 . 1 1 39 39 LYS CB C 39 32.310 32.310 31.821 0.489 18269 1599 1 4 . 1 1 39 39 LYS H H 39 7.586 7.586 8.055 -0.469 18269 1600 1 4 . 1 1 40 40 GLU N N 40 117.892 117.892 120.503 -2.611 18269 1601 1 4 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.427 -0.222 18269 1602 1 4 . 1 1 40 40 GLU CA C 40 58.359 58.359 57.560 0.799 18269 1603 1 4 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.439 -0.860 18269 1604 1 4 . 1 1 40 40 GLU H H 40 8.690 8.690 8.645 0.045 18269 1605 1 4 . 1 1 41 41 LEU N N 41 125.830 125.830 122.581 3.249 18269 1606 1 4 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.868 -0.321 18269 1607 1 4 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.758 -0.930 18269 1608 1 4 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.832 -1.494 18269 1609 1 4 . 1 1 41 41 LEU H H 41 8.978 8.978 8.258 0.720 18269 1610 1 4 . 1 1 42 42 ILE N N 42 119.900 119.900 118.878 1.022 18269 1611 1 4 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.938 -0.354 18269 1612 1 4 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.073 0.759 18269 1613 1 4 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.808 -0.018 18269 1614 1 4 . 1 1 42 42 ILE H H 42 7.884 7.884 8.636 -0.752 18269 1615 1 4 . 1 1 43 43 SER N N 43 114.071 114.071 115.161 -1.090 18269 1616 1 4 . 1 1 43 43 SER HA H 43 4.277 4.277 4.241 0.036 18269 1617 1 4 . 1 1 43 43 SER CA C 43 61.598 61.598 61.406 0.192 18269 1618 1 4 . 1 1 43 43 SER CB C 43 62.767 62.767 62.995 -0.228 18269 1619 1 4 . 1 1 43 43 SER H H 43 7.791 7.791 7.661 0.130 18269 1620 1 4 . 1 1 44 44 PHE N N 44 125.036 125.036 123.194 1.842 18269 1621 1 4 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.404 -0.075 18269 1622 1 4 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.825 -0.568 18269 1623 1 4 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.325 1.306 18269 1624 1 4 . 1 1 44 44 PHE H H 44 9.060 9.060 8.652 0.408 18269 1625 1 4 . 1 1 45 45 CYS N N 45 112.824 112.824 117.976 -5.152 18269 1626 1 4 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.567 0.039 18269 1627 1 4 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.403 -3.167 18269 1628 1 4 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.465 17.158 18269 1629 1 4 . 1 1 45 45 CYS H H 45 8.254 8.254 9.031 -0.777 18269 1630 1 4 . 1 1 46 46 LEU N N 46 123.875 123.875 120.407 3.468 18269 1631 1 4 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.379 -0.204 18269 1632 1 4 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.166 0.985 18269 1633 1 4 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.329 -0.077 18269 1634 1 4 . 1 1 46 46 LEU H H 46 7.776 7.776 7.473 0.303 18269 1635 1 4 . 1 1 47 47 ASP N N 47 116.880 116.880 120.948 -4.068 18269 1636 1 4 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.655 0.255 18269 1637 1 4 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.885 -1.300 18269 1638 1 4 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.425 0.950 18269 1639 1 4 . 1 1 47 47 ASP H H 47 7.852 7.852 8.316 -0.464 18269 1640 1 4 . 1 1 48 48 THR N N 48 108.053 108.053 110.657 -2.604 18269 1641 1 4 . 1 1 48 48 THR HA H 48 4.461 4.461 4.381 0.080 18269 1642 1 4 . 1 1 48 48 THR CA C 48 60.844 60.844 60.220 0.624 18269 1643 1 4 . 1 1 48 48 THR CB C 48 73.395 73.395 71.495 1.900 18269 1644 1 4 . 1 1 48 48 THR H H 48 7.139 7.139 7.749 -0.610 18269 1645 1 4 . 1 1 49 49 LYS N N 49 118.308 118.308 119.377 -1.069 18269 1646 1 4 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.601 0.117 18269 1647 1 4 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.958 -0.914 18269 1648 1 4 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.820 2.750 18269 1649 1 4 . 1 1 49 49 LYS H H 49 8.755 8.755 9.351 -0.596 18269 1650 1 4 . 1 1 50 50 GLY N N 50 108.996 108.996 109.925 -0.929 18269 1651 1 4 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.640 -0.797 18269 1652 1 4 . 1 1 50 50 GLY H H 50 8.866 8.866 8.651 0.215 18269 1653 1 4 . 1 1 51 51 LYS N N 51 126.155 126.155 122.086 4.069 18269 1654 1 4 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.077 -0.107 18269 1655 1 4 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.131 -1.021 18269 1656 1 4 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.208 0.411 18269 1657 1 4 . 1 1 51 51 LYS H H 51 9.254 9.254 8.778 0.476 18269 1658 1 4 . 1 1 52 52 GLU N N 52 116.496 116.496 119.146 -2.650 18269 1659 1 4 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.123 -0.600 18269 1660 1 4 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.272 0.118 18269 1661 1 4 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.609 -0.923 18269 1662 1 4 . 1 1 52 52 GLU H H 52 8.223 8.223 7.981 0.242 18269 1663 1 4 . 1 1 53 53 ASN N N 53 119.000 119.000 118.621 0.379 18269 1664 1 4 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.788 -0.404 18269 1665 1 4 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.790 1.188 18269 1666 1 4 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.688 0.758 18269 1667 1 4 . 1 1 53 53 ASN H H 53 6.840 6.840 8.739 -1.899 18269 1668 1 4 . 1 1 54 54 ARG N N 54 118.480 118.480 119.021 -0.541 18269 1669 1 4 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.541 -0.772 18269 1670 1 4 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.500 -0.103 18269 1671 1 4 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.392 -1.652 18269 1672 1 4 . 1 1 54 54 ARG H H 54 7.456 7.456 7.912 -0.456 18269 1673 1 4 . 1 1 55 55 LEU N N 55 118.688 118.688 122.375 -3.687 18269 1674 1 4 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.200 -0.392 18269 1675 1 4 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.289 0.170 18269 1676 1 4 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.698 -1.578 18269 1677 1 4 . 1 1 55 55 LEU H H 55 7.843 7.843 8.261 -0.418 18269 1678 1 4 . 1 1 56 56 CYS N N 56 115.905 115.905 117.668 -1.763 18269 1679 1 4 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.893 -0.020 18269 1680 1 4 . 1 1 56 56 CYS CA C 56 63.037 63.037 60.773 2.264 18269 1681 1 4 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.417 17.488 18269 1682 1 4 . 1 1 56 56 CYS H H 56 7.752 7.752 7.916 -0.164 18269 1683 1 4 . 1 1 57 57 TYR N N 57 121.810 121.810 118.424 3.386 18269 1684 1 4 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.265 -0.122 18269 1685 1 4 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.804 0.511 18269 1686 1 4 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.785 -0.731 18269 1687 1 4 . 1 1 57 57 TYR H H 57 7.911 7.911 8.014 -0.103 18269 1688 1 4 . 1 1 58 58 TYR N N 58 121.916 121.916 116.667 5.249 18269 1689 1 4 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.382 -0.007 18269 1690 1 4 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.397 -1.388 18269 1691 1 4 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.795 -0.771 18269 1692 1 4 . 1 1 58 58 TYR H H 58 8.334 8.334 7.668 0.666 18269 1693 1 4 . 1 1 59 59 LEU N N 59 114.461 114.461 116.852 -2.391 18269 1694 1 4 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.052 0.068 18269 1695 1 4 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.090 -0.861 18269 1696 1 4 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.457 -0.412 18269 1697 1 4 . 1 1 59 59 LEU H H 59 8.079 8.079 7.521 0.558 18269 1698 1 4 . 1 1 60 60 GLY N N 60 102.559 102.559 103.002 -0.443 18269 1699 1 4 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.081 0.491 18269 1700 1 4 . 1 1 60 60 GLY H H 60 7.562 7.562 8.230 -0.668 18269 1701 1 4 . 1 1 61 61 ALA N N 61 120.327 120.327 124.592 -4.265 18269 1702 1 4 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.645 -0.244 18269 1703 1 4 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.275 -0.010 18269 1704 1 4 . 1 1 61 61 ALA CB C 61 20.337 20.337 17.633 2.704 18269 1705 1 4 . 1 1 61 61 ALA H H 61 7.995 7.995 7.601 0.394 18269 1706 1 4 . 1 1 62 62 THR N N 62 106.895 106.895 116.141 -9.246 18269 1707 1 4 . 1 1 62 62 THR HA H 62 4.518 4.518 4.376 0.142 18269 1708 1 4 . 1 1 62 62 THR CA C 62 59.982 59.982 62.775 -2.793 18269 1709 1 4 . 1 1 62 62 THR CB C 62 70.540 70.540 70.072 0.468 18269 1710 1 4 . 1 1 62 62 THR H H 62 7.156 7.156 7.661 -0.505 18269 1711 1 4 . 1 1 63 63 LYS N N 63 121.251 121.251 118.827 2.424 18269 1712 1 4 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.451 -0.354 18269 1713 1 4 . 1 1 63 63 LYS CA C 63 58.272 58.272 56.408 1.864 18269 1714 1 4 . 1 1 63 63 LYS CB C 63 32.155 32.155 34.416 -2.261 18269 1715 1 4 . 1 1 63 63 LYS H H 63 8.626 8.626 7.723 0.903 18269 1716 1 4 . 1 1 64 64 ASP N N 64 116.607 116.607 120.755 -4.148 18269 1717 1 4 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.815 -0.258 18269 1718 1 4 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.030 -0.128 18269 1719 1 4 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.034 -0.928 18269 1720 1 4 . 1 1 64 64 ASP H H 64 8.441 8.441 8.497 -0.056 18269 1721 1 4 . 1 1 65 65 ALA N N 65 122.486 122.486 125.632 -3.146 18269 1722 1 4 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.420 -0.335 18269 1723 1 4 . 1 1 65 65 ALA CA C 65 52.549 52.549 53.498 -0.949 18269 1724 1 4 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.137 -0.580 18269 1725 1 4 . 1 1 65 65 ALA H H 65 7.368 7.368 8.618 -1.250 18269 1726 1 4 . 1 1 66 66 ALA N N 66 124.171 124.171 123.434 0.737 18269 1727 1 4 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.683 -0.239 18269 1728 1 4 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.595 -0.124 18269 1729 1 4 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.094 0.171 18269 1730 1 4 . 1 1 66 66 ALA H H 66 8.300 8.300 8.039 0.261 18269 1731 1 4 . 1 1 67 67 THR N N 67 111.638 111.638 114.347 -2.709 18269 1732 1 4 . 1 1 67 67 THR HA H 67 4.496 4.496 4.036 0.460 18269 1733 1 4 . 1 1 67 67 THR CA C 67 60.881 60.881 64.167 -3.286 18269 1734 1 4 . 1 1 67 67 THR CB C 67 70.199 70.199 68.928 1.270 18269 1735 1 4 . 1 1 67 67 THR H H 67 7.730 7.730 8.267 -0.537 18269 1736 1 4 . 1 1 68 68 LYS N N 68 121.732 121.732 119.145 2.587 18269 1737 1 4 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.242 0.294 18269 1738 1 4 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.111 -1.549 18269 1739 1 4 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.388 0.711 18269 1740 1 4 . 1 1 68 68 LYS H H 68 8.502 8.502 8.058 0.444 18269 1741 1 4 . 1 1 69 69 ILE HA H 69 4.339 4.339 4.176 0.163 18269 1742 1 4 . 1 1 69 69 ILE CA C 69 61.706 61.706 62.800 -1.095 18269 1743 1 4 . 1 1 69 69 ILE CB C 69 37.800 37.800 38.742 -0.942 18269 1744 1 4 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.184 -0.053 18269 1745 1 4 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.304 1.312 18269 1746 1 4 . 1 1 70 70 LEU CB C 70 41.738 41.738 40.880 0.858 18269 1747 1 4 . 1 1 71 71 SER HA H 71 4.817 4.817 4.221 0.596 18269 1748 1 4 . 1 1 71 71 SER CA C 71 60.667 60.667 61.512 -0.845 18269 1749 1 4 . 1 1 71 71 SER CB C 71 62.646 62.646 62.796 -0.150 18269 1750 1 4 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.209 0.055 18269 1751 1 4 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.288 -1.659 18269 1752 1 4 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.282 -1.035 18269 1753 1 4 . 1 1 73 73 VAL N N 73 114.786 114.786 119.366 -4.580 18269 1754 1 4 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.954 0.148 18269 1755 1 4 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.661 -1.920 18269 1756 1 4 . 1 1 73 73 VAL CB C 73 33.265 33.265 31.613 1.652 18269 1757 1 4 . 1 1 73 73 VAL H H 73 7.812 7.812 7.931 -0.119 18269 1758 1 4 . 1 1 74 74 THR HA H 74 3.767 3.767 4.028 -0.261 18269 1759 1 4 . 1 1 74 74 THR CA C 74 65.584 65.584 66.586 -1.002 18269 1760 1 4 . 1 1 74 74 THR CB C 74 67.470 67.470 68.482 -1.012 18269 1761 1 4 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.111 0.135 18269 1762 1 4 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.898 0.485 18269 1763 1 4 . 1 1 75 75 ARG CB C 75 28.620 28.620 28.197 0.423 18269 1764 1 4 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.235 0.250 18269 1765 1 4 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.699 -0.002 18269 1766 1 4 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.368 -0.473 18269 1767 1 4 . 1 1 77 77 MET N N 77 117.583 117.583 113.608 3.975 18269 1768 1 4 . 1 1 77 77 MET HA H 77 4.684 4.684 4.274 0.410 18269 1769 1 4 . 1 1 77 77 MET CA C 77 59.347 59.347 56.381 2.966 18269 1770 1 4 . 1 1 77 77 MET CB C 77 32.996 32.996 31.252 1.744 18269 1771 1 4 . 1 1 77 77 MET H H 77 7.685 7.685 8.198 -0.513 18269 1772 1 4 . 1 1 78 78 SER N N 78 114.578 114.578 113.329 1.249 18269 1773 1 4 . 1 1 78 78 SER HA H 78 4.226 4.226 4.319 -0.093 18269 1774 1 4 . 1 1 78 78 SER CA C 78 61.922 61.922 59.298 2.624 18269 1775 1 4 . 1 1 78 78 SER CB C 78 62.406 62.406 63.679 -1.273 18269 1776 1 4 . 1 1 78 78 SER H H 78 8.285 8.285 7.534 0.751 18269 1777 1 4 . 1 1 79 79 VAL N N 79 111.248 111.248 118.705 -7.457 18269 1778 1 4 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.138 0.613 18269 1779 1 4 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.906 0.220 18269 1780 1 4 . 1 1 79 79 VAL CB C 79 30.346 30.346 35.334 -4.988 18269 1781 1 4 . 1 1 79 79 VAL H H 79 7.004 7.004 7.388 -0.384 18269 1782 1 4 . 1 1 80 80 HIS N N 80 116.703 116.703 123.741 -7.038 18269 1783 1 4 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.582 -0.466 18269 1784 1 4 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.074 -0.248 18269 1785 1 4 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.029 -3.140 18269 1786 1 4 . 1 1 80 80 HIS H H 80 8.289 8.289 8.591 -0.302 18269 1787 1 4 . 1 1 81 81 MET N N 81 120.978 120.978 125.755 -4.777 18269 1788 1 4 . 1 1 81 81 MET HA H 81 4.512 4.512 4.860 -0.348 18269 1789 1 4 . 1 1 81 81 MET CA C 81 55.007 55.007 52.496 2.511 18269 1790 1 4 . 1 1 81 81 MET CB C 81 33.265 33.265 34.153 -0.888 18269 1791 1 4 . 1 1 81 81 MET H H 81 8.006 8.006 8.231 -0.225 18269 1792 1 4 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.189 0.152 18269 1793 1 4 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.722 -1.486 18269 1794 1 4 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.532 2.131 18269 1795 1 4 . 1 1 83 83 ALA N N 83 126.545 126.545 120.809 5.736 18269 1796 1 4 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.930 0.016 18269 1797 1 4 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.078 0.895 18269 1798 1 4 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.470 1.005 18269 1799 1 4 . 1 1 83 83 ALA H H 83 9.196 9.196 8.095 1.101 18269 1800 1 4 . 1 1 84 84 MET N N 84 114.734 114.734 115.758 -1.024 18269 1801 1 4 . 1 1 84 84 MET HA H 84 4.024 4.024 4.579 -0.555 18269 1802 1 4 . 1 1 84 84 MET CA C 84 58.812 58.812 57.426 1.386 18269 1803 1 4 . 1 1 84 84 MET CB C 84 32.242 32.242 31.120 1.122 18269 1804 1 4 . 1 1 84 84 MET H H 84 9.289 9.289 7.739 1.550 18269 1805 1 4 . 1 1 85 85 LYS N N 85 116.490 116.490 121.021 -4.531 18269 1806 1 4 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.111 0.063 18269 1807 1 4 . 1 1 85 85 LYS CA C 85 58.116 58.116 59.029 -0.913 18269 1808 1 4 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.106 -0.313 18269 1809 1 4 . 1 1 85 85 LYS H H 85 6.997 6.997 8.273 -1.276 18269 1810 1 4 . 1 1 86 86 ILE N N 86 120.561 120.561 118.927 1.634 18269 1811 1 4 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.714 -0.099 18269 1812 1 4 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.507 1.770 18269 1813 1 4 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.831 -0.311 18269 1814 1 4 . 1 1 86 86 ILE H H 86 7.875 7.875 7.537 0.338 18269 1815 1 4 . 1 1 87 87 CYS N N 87 117.323 117.323 118.165 -0.842 18269 1816 1 4 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.225 -0.149 18269 1817 1 4 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.291 -0.231 18269 1818 1 4 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.788 16.945 18269 1819 1 4 . 1 1 87 87 CYS H H 87 8.643 8.643 7.925 0.718 18269 1820 1 4 . 1 1 88 88 GLU N N 88 118.070 118.070 121.721 -3.651 18269 1821 1 4 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.013 -0.065 18269 1822 1 4 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.304 0.459 18269 1823 1 4 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.401 0.362 18269 1824 1 4 . 1 1 88 88 GLU H H 88 8.045 8.045 7.750 0.295 18269 1825 1 4 . 1 1 89 89 LYS N N 89 119.719 119.719 119.350 0.369 18269 1826 1 4 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.062 0.076 18269 1827 1 4 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.226 -0.096 18269 1828 1 4 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.261 -0.558 18269 1829 1 4 . 1 1 89 89 LYS H H 89 7.530 7.530 7.850 -0.320 18269 1830 1 4 . 1 1 90 90 LEU N N 90 119.550 119.550 119.673 -0.123 18269 1831 1 4 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.030 -0.065 18269 1832 1 4 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.181 0.162 18269 1833 1 4 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.569 -0.578 18269 1834 1 4 . 1 1 90 90 LEU H H 90 8.422 8.422 7.907 0.515 18269 1835 1 4 . 1 1 91 91 LYS N N 91 119.180 119.180 118.928 0.252 18269 1836 1 4 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.196 -0.334 18269 1837 1 4 . 1 1 91 91 LYS CA C 91 58.605 58.605 59.128 -0.523 18269 1838 1 4 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.050 0.427 18269 1839 1 4 . 1 1 91 91 LYS H H 91 8.218 8.218 7.581 0.637 18269 1840 1 4 . 1 1 92 92 LYS N N 92 113.632 113.632 119.374 -5.742 18269 1841 1 4 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.220 -0.167 18269 1842 1 4 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.668 -0.110 18269 1843 1 4 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.027 -0.093 18269 1844 1 4 . 1 1 92 92 LYS H H 92 6.984 6.984 7.628 -0.644 18269 1845 1 4 . 1 1 93 93 LEU N N 93 119.104 119.104 119.884 -0.780 18269 1846 1 4 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.340 -0.050 18269 1847 1 4 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.708 -0.604 18269 1848 1 4 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.058 -0.956 18269 1849 1 4 . 1 1 93 93 LEU H H 93 7.456 7.456 7.479 -0.023 18269 1850 1 4 . 1 1 94 94 ASP N N 94 116.790 116.790 116.193 0.597 18269 1851 1 4 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.807 -0.251 18269 1852 1 4 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.898 0.468 18269 1853 1 4 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.843 -1.670 18269 1854 1 4 . 1 1 94 94 ASP H H 94 7.911 7.911 8.307 -0.396 18269 1855 1 4 . 1 1 95 95 SER N N 95 122.399 122.399 120.603 1.796 18269 1856 1 4 . 1 1 95 95 SER HA H 95 4.186 4.186 4.364 -0.178 18269 1857 1 4 . 1 1 95 95 SER CA C 95 61.472 61.472 60.073 1.399 18269 1858 1 4 . 1 1 95 95 SER CB C 95 62.568 62.568 63.462 -0.894 18269 1859 1 4 . 1 1 95 95 SER H H 95 8.894 8.894 8.700 0.194 18269 1860 1 4 . 1 1 96 96 GLN N N 96 120.800 120.800 120.527 0.273 18269 1861 1 4 . 1 1 96 96 GLN HA H 96 3.862 3.862 3.995 -0.133 18269 1862 1 4 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.353 0.798 18269 1863 1 4 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.255 0.162 18269 1864 1 4 . 1 1 96 96 GLN H H 96 8.610 8.610 8.336 0.274 18269 1865 1 4 . 1 1 97 97 ILE N N 97 117.387 117.387 117.755 -0.368 18269 1866 1 4 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.590 -0.191 18269 1867 1 4 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.634 2.197 18269 1868 1 4 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.118 0.155 18269 1869 1 4 . 1 1 97 97 ILE H H 97 7.470 7.470 7.345 0.125 18269 1870 1 4 . 1 1 98 98 CYS N N 98 113.485 113.485 116.368 -2.883 18269 1871 1 4 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.327 0.744 18269 1872 1 4 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.780 2.193 18269 1873 1 4 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.826 20.761 18269 1874 1 4 . 1 1 98 98 CYS H H 98 7.410 7.410 7.377 0.033 18269 1875 1 4 . 1 1 99 99 GLU N N 99 119.123 119.123 120.069 -0.946 18269 1876 1 4 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.333 -0.010 18269 1877 1 4 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.702 1.024 18269 1878 1 4 . 1 1 99 99 GLU CB C 99 29.979 29.979 27.527 2.452 18269 1879 1 4 . 1 1 99 99 GLU H H 99 7.308 7.308 7.997 -0.689 18269 1880 1 4 . 1 1 100 100 LEU N N 100 115.771 115.771 121.517 -5.746 18269 1881 1 4 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.325 -0.028 18269 1882 1 4 . 1 1 100 100 LEU CA C 100 55.682 55.682 53.556 2.126 18269 1883 1 4 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.341 0.620 18269 1884 1 4 . 1 1 100 100 LEU H H 100 6.496 6.496 7.353 -0.857 18269 1885 1 4 . 1 1 101 101 LYS N N 101 125.672 125.672 118.560 7.112 18269 1886 1 4 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.021 0.573 18269 1887 1 4 . 1 1 101 101 LYS CA C 101 55.350 55.350 55.100 0.250 18269 1888 1 4 . 1 1 101 101 LYS CB C 101 35.723 35.723 32.896 2.827 18269 1889 1 4 . 1 1 101 101 LYS H H 101 8.575 8.575 7.666 0.909 18269 1890 1 4 . 1 1 102 102 TYR N N 102 120.395 120.395 121.099 -0.704 18269 1891 1 4 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.245 0.137 18269 1892 1 4 . 1 1 102 102 TYR CA C 102 60.024 60.024 59.273 0.751 18269 1893 1 4 . 1 1 102 102 TYR CB C 102 38.328 38.328 36.974 1.354 18269 1894 1 4 . 1 1 102 102 TYR H H 102 8.756 8.756 8.433 0.323 18269 1895 1 4 . 1 1 103 103 GLU N N 103 121.550 121.550 120.326 1.224 18269 1896 1 4 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.043 0.349 18269 1897 1 4 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.084 -0.757 18269 1898 1 4 . 1 1 103 103 GLU CB C 103 30.302 30.302 27.928 2.374 18269 1899 1 4 . 1 1 103 103 GLU H H 103 8.835 8.835 8.384 0.451 18269 1900 1 4 . 1 1 104 104 LYS N N 104 122.957 122.957 125.187 -2.230 18269 1901 1 4 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.468 -0.007 18269 1902 1 4 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.303 -0.029 18269 1903 1 4 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.572 0.475 18269 1904 1 4 . 1 1 104 104 LYS H H 104 8.490 8.490 8.309 0.181 18269 1905 1 5 . 1 1 2 2 GLU N N 2 121.590 121.590 118.069 3.521 18269 1906 1 5 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.128 0.166 18269 1907 1 5 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.457 -0.940 18269 1908 1 5 . 1 1 2 2 GLU CB C 2 30.151 30.151 30.026 0.124 18269 1909 1 5 . 1 1 2 2 GLU H H 2 8.621 8.621 8.563 0.058 18269 1910 1 5 . 1 1 3 3 ALA N N 3 125.815 125.815 125.756 0.059 18269 1911 1 5 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.515 -0.149 18269 1912 1 5 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.285 0.372 18269 1913 1 5 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.426 -1.479 18269 1914 1 5 . 1 1 3 3 ALA H H 3 8.598 8.598 8.726 -0.128 18269 1915 1 5 . 1 1 4 4 GLY N N 4 108.386 108.386 106.732 1.654 18269 1916 1 5 . 1 1 4 4 GLY CA C 4 45.137 45.137 44.957 0.180 18269 1917 1 5 . 1 1 4 4 GLY H H 4 8.487 8.487 8.066 0.421 18269 1918 1 5 . 1 1 5 5 GLY N N 5 108.367 108.367 110.502 -2.135 18269 1919 1 5 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.872 -0.118 18269 1920 1 5 . 1 1 5 5 GLY H H 5 8.274 8.274 9.180 -0.906 18269 1921 1 5 . 1 1 6 6 ARG N N 6 121.577 121.577 116.848 4.729 18269 1922 1 5 . 1 1 6 6 ARG HA H 6 4.675 4.675 3.986 0.689 18269 1923 1 5 . 1 1 6 6 ARG CA C 6 53.881 53.881 56.000 -2.119 18269 1924 1 5 . 1 1 6 6 ARG CB C 6 30.135 30.135 28.175 1.960 18269 1925 1 5 . 1 1 6 6 ARG H H 6 8.297 8.297 8.627 -0.330 18269 1926 1 5 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.583 -0.092 18269 1927 1 5 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.385 0.968 18269 1928 1 5 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.955 1.092 18269 1929 1 5 . 1 1 8 8 GLY N N 8 109.658 109.658 107.725 1.933 18269 1930 1 5 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.638 -1.550 18269 1931 1 5 . 1 1 8 8 GLY H H 8 8.660 8.660 8.200 0.460 18269 1932 1 5 . 1 1 9 9 ALA N N 9 123.995 123.995 118.482 5.513 18269 1933 1 5 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.426 0.014 18269 1934 1 5 . 1 1 9 9 ALA CA C 9 51.797 51.797 53.100 -1.303 18269 1935 1 5 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.849 0.429 18269 1936 1 5 . 1 1 9 9 ALA H H 9 8.200 8.200 8.090 0.110 18269 1937 1 5 . 1 1 10 10 ASP N N 10 119.834 119.834 118.660 1.174 18269 1938 1 5 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.614 0.043 18269 1939 1 5 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.999 -0.459 18269 1940 1 5 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.997 -0.491 18269 1941 1 5 . 1 1 10 10 ASP H H 10 8.290 8.290 8.305 -0.015 18269 1942 1 5 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.573 0.057 18269 1943 1 5 . 1 1 11 11 CYS CA C 11 54.758 54.758 58.748 -3.990 18269 1944 1 5 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.888 12.572 18269 1945 1 5 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.988 -0.024 18269 1946 1 5 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.462 0.915 18269 1947 1 5 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.339 1.916 18269 1948 1 5 . 1 1 13 13 VAL N N 13 117.224 117.224 118.154 -0.930 18269 1949 1 5 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.583 0.163 18269 1950 1 5 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.421 -2.375 18269 1951 1 5 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.185 0.033 18269 1952 1 5 . 1 1 13 13 VAL H H 13 7.040 7.040 8.431 -1.391 18269 1953 1 5 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.203 -0.118 18269 1954 1 5 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.128 -0.683 18269 1955 1 5 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.002 15.217 18269 1956 1 5 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.091 -0.032 18269 1957 1 5 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.495 -1.925 18269 1958 1 5 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.915 0.335 18269 1959 1 5 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.142 0.189 18269 1960 1 5 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.245 -0.070 18269 1961 1 5 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.367 0.039 18269 1962 1 5 . 1 1 16 16 GLU H H 16 8.098 8.098 8.677 -0.579 18269 1963 1 5 . 1 1 17 17 PHE N N 17 120.745 120.745 121.505 -0.760 18269 1964 1 5 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.376 -0.061 18269 1965 1 5 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.852 0.662 18269 1966 1 5 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.395 1.118 18269 1967 1 5 . 1 1 17 17 PHE H H 17 9.126 9.126 8.077 1.049 18269 1968 1 5 . 1 1 18 18 LEU N N 18 115.787 115.787 119.340 -3.553 18269 1969 1 5 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.833 0.310 18269 1970 1 5 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.500 -0.623 18269 1971 1 5 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.443 -0.491 18269 1972 1 5 . 1 1 18 18 LEU H H 18 8.505 8.505 8.363 0.142 18269 1973 1 5 . 1 1 19 19 ASN N N 19 117.635 117.635 116.547 1.088 18269 1974 1 5 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.371 0.505 18269 1975 1 5 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.633 -0.159 18269 1976 1 5 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.690 -0.362 18269 1977 1 5 . 1 1 19 19 ASN H H 19 8.405 8.405 8.089 0.316 18269 1978 1 5 . 1 1 20 20 ARG N N 20 122.851 122.851 120.310 2.541 18269 1979 1 5 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.103 0.014 18269 1980 1 5 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.363 0.926 18269 1981 1 5 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.245 0.210 18269 1982 1 5 . 1 1 20 20 ARG H H 20 8.325 8.325 7.816 0.509 18269 1983 1 5 . 1 1 21 21 PHE N N 21 121.774 121.774 121.370 0.404 18269 1984 1 5 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.329 -0.049 18269 1985 1 5 . 1 1 21 21 PHE CA C 21 59.011 59.011 61.201 -2.190 18269 1986 1 5 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.245 -0.234 18269 1987 1 5 . 1 1 21 21 PHE H H 21 8.438 8.438 8.428 0.010 18269 1988 1 5 . 1 1 22 22 TYR N N 22 119.937 119.937 120.087 -0.150 18269 1989 1 5 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.764 0.025 18269 1990 1 5 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.824 -0.172 18269 1991 1 5 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.422 -0.148 18269 1992 1 5 . 1 1 22 22 TYR H H 22 8.708 8.708 8.593 0.115 18269 1993 1 5 . 1 1 23 23 LYS N N 23 116.431 116.431 117.431 -1.000 18269 1994 1 5 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.058 -0.199 18269 1995 1 5 . 1 1 23 23 LYS CA C 23 59.143 59.143 57.720 1.423 18269 1996 1 5 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.902 0.315 18269 1997 1 5 . 1 1 23 23 LYS H H 23 7.928 7.928 8.064 -0.136 18269 1998 1 5 . 1 1 24 24 SER N N 24 113.888 113.888 115.938 -2.050 18269 1999 1 5 . 1 1 24 24 SER HA H 24 4.325 4.325 4.169 0.156 18269 2000 1 5 . 1 1 24 24 SER CA C 24 61.016 61.016 60.996 0.020 18269 2001 1 5 . 1 1 24 24 SER CB C 24 62.837 62.837 62.539 0.298 18269 2002 1 5 . 1 1 24 24 SER H H 24 7.665 7.665 8.220 -0.555 18269 2003 1 5 . 1 1 25 25 LEU N N 25 119.663 119.663 121.943 -2.280 18269 2004 1 5 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.896 -0.217 18269 2005 1 5 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.934 -0.428 18269 2006 1 5 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.299 0.603 18269 2007 1 5 . 1 1 25 25 LEU H H 25 7.573 7.573 7.956 -0.383 18269 2008 1 5 . 1 1 26 26 ILE N N 26 119.781 119.781 118.557 1.224 18269 2009 1 5 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.587 0.269 18269 2010 1 5 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.348 0.201 18269 2011 1 5 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.565 0.740 18269 2012 1 5 . 1 1 26 26 ILE H H 26 8.094 8.094 7.103 0.991 18269 2013 1 5 . 1 1 27 27 ASP N N 27 122.421 122.421 120.716 1.705 18269 2014 1 5 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.377 -0.001 18269 2015 1 5 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.770 0.249 18269 2016 1 5 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.111 -1.031 18269 2017 1 5 . 1 1 27 27 ASP H H 27 9.091 9.091 8.110 0.981 18269 2018 1 5 . 1 1 28 28 ARG N N 28 115.349 115.349 117.368 -2.019 18269 2019 1 5 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.220 0.085 18269 2020 1 5 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.903 -0.405 18269 2021 1 5 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.979 0.635 18269 2022 1 5 . 1 1 28 28 ARG H H 28 7.587 7.587 7.964 -0.377 18269 2023 1 5 . 1 1 29 29 GLY N N 29 109.999 109.999 107.061 2.938 18269 2024 1 5 . 1 1 29 29 GLY CA C 29 46.661 46.661 44.823 1.838 18269 2025 1 5 . 1 1 29 29 GLY H H 29 7.909 7.909 8.052 -0.143 18269 2026 1 5 . 1 1 30 30 VAL N N 30 118.740 118.740 119.367 -0.627 18269 2027 1 5 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.462 -0.703 18269 2028 1 5 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.912 1.558 18269 2029 1 5 . 1 1 30 30 VAL CB C 30 32.326 32.326 33.076 -0.750 18269 2030 1 5 . 1 1 30 30 VAL H H 30 7.701 7.701 7.951 -0.250 18269 2031 1 5 . 1 1 31 31 ASN N N 31 123.250 123.250 124.095 -0.845 18269 2032 1 5 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.510 0.203 18269 2033 1 5 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.434 0.055 18269 2034 1 5 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.302 -0.091 18269 2035 1 5 . 1 1 31 31 ASN H H 31 8.498 8.498 8.589 -0.091 18269 2036 1 5 . 1 1 32 32 PHE N N 32 126.076 126.076 119.902 6.174 18269 2037 1 5 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.684 -0.546 18269 2038 1 5 . 1 1 32 32 PHE CA C 32 58.647 58.647 58.710 -0.063 18269 2039 1 5 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.567 -0.788 18269 2040 1 5 . 1 1 32 32 PHE H H 32 8.783 8.783 8.410 0.373 18269 2041 1 5 . 1 1 33 33 SER N N 33 115.958 115.958 115.277 0.681 18269 2042 1 5 . 1 1 33 33 SER HA H 33 4.736 4.736 4.669 0.067 18269 2043 1 5 . 1 1 33 33 SER CA C 33 56.745 56.745 57.278 -0.533 18269 2044 1 5 . 1 1 33 33 SER CB C 33 64.899 64.899 65.360 -0.461 18269 2045 1 5 . 1 1 33 33 SER H H 33 7.699 7.699 8.196 -0.497 18269 2046 1 5 . 1 1 34 34 LEU N N 34 124.359 124.359 128.982 -4.623 18269 2047 1 5 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.039 -0.186 18269 2048 1 5 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.279 1.392 18269 2049 1 5 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.479 0.067 18269 2050 1 5 . 1 1 34 34 LEU H H 34 8.935 8.935 8.709 0.226 18269 2051 1 5 . 1 1 35 35 ASP N N 35 115.345 115.345 118.187 -2.842 18269 2052 1 5 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.408 -0.030 18269 2053 1 5 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.715 -0.856 18269 2054 1 5 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.775 -0.615 18269 2055 1 5 . 1 1 35 35 ASP H H 35 8.575 8.575 8.648 -0.073 18269 2056 1 5 . 1 1 36 36 THR N N 36 116.789 116.789 116.283 0.506 18269 2057 1 5 . 1 1 36 36 THR HA H 36 4.015 4.015 4.106 -0.091 18269 2058 1 5 . 1 1 36 36 THR CA C 36 66.069 66.069 66.433 -0.364 18269 2059 1 5 . 1 1 36 36 THR CB C 36 68.780 68.780 68.595 0.185 18269 2060 1 5 . 1 1 36 36 THR H H 36 7.593 7.593 7.275 0.318 18269 2061 1 5 . 1 1 37 37 ILE N N 37 120.685 120.685 121.819 -1.134 18269 2062 1 5 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.723 -0.354 18269 2063 1 5 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.798 0.002 18269 2064 1 5 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.556 -0.465 18269 2065 1 5 . 1 1 37 37 ILE H H 37 8.436 8.436 8.702 -0.266 18269 2066 1 5 . 1 1 38 38 GLU N N 38 118.792 118.792 120.630 -1.838 18269 2067 1 5 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.931 -0.253 18269 2068 1 5 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.786 1.274 18269 2069 1 5 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.593 0.278 18269 2070 1 5 . 1 1 38 38 GLU H H 38 8.122 8.122 8.055 0.067 18269 2071 1 5 . 1 1 39 39 LYS N N 39 116.986 116.986 120.163 -3.177 18269 2072 1 5 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.044 -0.083 18269 2073 1 5 . 1 1 39 39 LYS CA C 39 59.746 59.746 59.197 0.549 18269 2074 1 5 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.291 0.019 18269 2075 1 5 . 1 1 39 39 LYS H H 39 7.586 7.586 8.080 -0.494 18269 2076 1 5 . 1 1 40 40 GLU N N 40 117.892 117.892 118.751 -0.859 18269 2077 1 5 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.341 -0.136 18269 2078 1 5 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.224 0.135 18269 2079 1 5 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.532 -0.953 18269 2080 1 5 . 1 1 40 40 GLU H H 40 8.690 8.690 8.444 0.246 18269 2081 1 5 . 1 1 41 41 LEU N N 41 125.830 125.830 122.143 3.687 18269 2082 1 5 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.838 -0.291 18269 2083 1 5 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.466 -0.638 18269 2084 1 5 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.770 -1.432 18269 2085 1 5 . 1 1 41 41 LEU H H 41 8.978 8.978 8.444 0.534 18269 2086 1 5 . 1 1 42 42 ILE N N 42 119.900 119.900 119.851 0.049 18269 2087 1 5 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.614 -0.030 18269 2088 1 5 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.460 0.371 18269 2089 1 5 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.847 -0.057 18269 2090 1 5 . 1 1 42 42 ILE H H 42 7.884 7.884 8.098 -0.214 18269 2091 1 5 . 1 1 43 43 SER N N 43 114.071 114.071 116.050 -1.979 18269 2092 1 5 . 1 1 43 43 SER HA H 43 4.277 4.277 4.146 0.131 18269 2093 1 5 . 1 1 43 43 SER CA C 43 61.598 61.598 61.888 -0.290 18269 2094 1 5 . 1 1 43 43 SER CB C 43 62.767 62.767 63.201 -0.434 18269 2095 1 5 . 1 1 43 43 SER H H 43 7.791 7.791 8.131 -0.340 18269 2096 1 5 . 1 1 44 44 PHE N N 44 125.036 125.036 122.725 2.311 18269 2097 1 5 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.366 -0.037 18269 2098 1 5 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.813 -0.556 18269 2099 1 5 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.732 0.899 18269 2100 1 5 . 1 1 44 44 PHE H H 44 9.060 9.060 8.575 0.485 18269 2101 1 5 . 1 1 45 45 CYS N N 45 112.824 112.824 118.282 -5.458 18269 2102 1 5 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.472 0.134 18269 2103 1 5 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.768 -3.532 18269 2104 1 5 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.910 16.713 18269 2105 1 5 . 1 1 45 45 CYS H H 45 8.254 8.254 8.845 -0.591 18269 2106 1 5 . 1 1 46 46 LEU N N 46 123.875 123.875 119.648 4.227 18269 2107 1 5 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.245 -0.070 18269 2108 1 5 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.140 1.011 18269 2109 1 5 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.186 0.066 18269 2110 1 5 . 1 1 46 46 LEU H H 46 7.776 7.776 7.818 -0.042 18269 2111 1 5 . 1 1 47 47 ASP N N 47 116.880 116.880 117.353 -0.473 18269 2112 1 5 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.608 0.302 18269 2113 1 5 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.638 -2.053 18269 2114 1 5 . 1 1 47 47 ASP CB C 47 40.375 40.375 42.015 -1.640 18269 2115 1 5 . 1 1 47 47 ASP H H 47 7.852 7.852 7.716 0.136 18269 2116 1 5 . 1 1 48 48 THR N N 48 108.053 108.053 113.300 -5.247 18269 2117 1 5 . 1 1 48 48 THR HA H 48 4.461 4.461 4.088 0.373 18269 2118 1 5 . 1 1 48 48 THR CA C 48 60.844 60.844 62.447 -1.603 18269 2119 1 5 . 1 1 48 48 THR CB C 48 73.395 73.395 69.573 3.822 18269 2120 1 5 . 1 1 48 48 THR H H 48 7.139 7.139 7.681 -0.542 18269 2121 1 5 . 1 1 49 49 LYS N N 49 118.308 118.308 119.467 -1.159 18269 2122 1 5 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.556 0.162 18269 2123 1 5 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.726 -0.682 18269 2124 1 5 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.109 3.461 18269 2125 1 5 . 1 1 49 49 LYS H H 49 8.755 8.755 9.165 -0.410 18269 2126 1 5 . 1 1 50 50 GLY N N 50 108.996 108.996 109.495 -0.499 18269 2127 1 5 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.789 -0.947 18269 2128 1 5 . 1 1 50 50 GLY H H 50 8.866 8.866 8.835 0.031 18269 2129 1 5 . 1 1 51 51 LYS N N 51 126.155 126.155 120.929 5.226 18269 2130 1 5 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.027 -0.057 18269 2131 1 5 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.282 -1.172 18269 2132 1 5 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.936 0.683 18269 2133 1 5 . 1 1 51 51 LYS H H 51 9.254 9.254 8.677 0.577 18269 2134 1 5 . 1 1 52 52 GLU N N 52 116.496 116.496 119.392 -2.896 18269 2135 1 5 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.105 -0.582 18269 2136 1 5 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.307 0.083 18269 2137 1 5 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.785 -1.099 18269 2138 1 5 . 1 1 52 52 GLU H H 52 8.223 8.223 8.015 0.208 18269 2139 1 5 . 1 1 53 53 ASN N N 53 119.000 119.000 119.779 -0.779 18269 2140 1 5 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.612 -0.228 18269 2141 1 5 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.912 1.066 18269 2142 1 5 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.630 0.816 18269 2143 1 5 . 1 1 53 53 ASN H H 53 6.840 6.840 8.734 -1.894 18269 2144 1 5 . 1 1 54 54 ARG N N 54 118.480 118.480 119.766 -1.286 18269 2145 1 5 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.147 -0.378 18269 2146 1 5 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.120 -0.723 18269 2147 1 5 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.882 -1.142 18269 2148 1 5 . 1 1 54 54 ARG H H 54 7.456 7.456 8.271 -0.815 18269 2149 1 5 . 1 1 55 55 LEU N N 55 118.688 118.688 121.282 -2.594 18269 2150 1 5 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.219 -0.411 18269 2151 1 5 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.003 0.456 18269 2152 1 5 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.933 -1.813 18269 2153 1 5 . 1 1 55 55 LEU H H 55 7.843 7.843 7.735 0.108 18269 2154 1 5 . 1 1 56 56 CYS N N 56 115.905 115.905 116.219 -0.314 18269 2155 1 5 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.938 -0.065 18269 2156 1 5 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.725 1.312 18269 2157 1 5 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.610 17.295 18269 2158 1 5 . 1 1 56 56 CYS H H 56 7.752 7.752 7.687 0.065 18269 2159 1 5 . 1 1 57 57 TYR N N 57 121.810 121.810 119.067 2.743 18269 2160 1 5 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.015 0.128 18269 2161 1 5 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.826 -0.511 18269 2162 1 5 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.513 -0.459 18269 2163 1 5 . 1 1 57 57 TYR H H 57 7.911 7.911 7.595 0.316 18269 2164 1 5 . 1 1 58 58 TYR N N 58 121.916 121.916 116.234 5.682 18269 2165 1 5 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.356 0.019 18269 2166 1 5 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.005 -0.996 18269 2167 1 5 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.422 -0.398 18269 2168 1 5 . 1 1 58 58 TYR H H 58 8.334 8.334 7.274 1.060 18269 2169 1 5 . 1 1 59 59 LEU N N 59 114.461 114.461 116.659 -2.198 18269 2170 1 5 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.012 0.108 18269 2171 1 5 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.327 -1.098 18269 2172 1 5 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.487 -0.442 18269 2173 1 5 . 1 1 59 59 LEU H H 59 8.079 8.079 8.138 -0.059 18269 2174 1 5 . 1 1 60 60 GLY N N 60 102.559 102.559 103.960 -1.401 18269 2175 1 5 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.245 0.327 18269 2176 1 5 . 1 1 60 60 GLY H H 60 7.562 7.562 8.027 -0.465 18269 2177 1 5 . 1 1 61 61 ALA N N 61 120.327 120.327 126.052 -5.725 18269 2178 1 5 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.323 0.078 18269 2179 1 5 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.572 -0.306 18269 2180 1 5 . 1 1 61 61 ALA CB C 61 20.337 20.337 17.883 2.454 18269 2181 1 5 . 1 1 61 61 ALA H H 61 7.995 7.995 7.615 0.380 18269 2182 1 5 . 1 1 62 62 THR N N 62 106.895 106.895 114.173 -7.278 18269 2183 1 5 . 1 1 62 62 THR HA H 62 4.518 4.518 4.228 0.290 18269 2184 1 5 . 1 1 62 62 THR CA C 62 59.982 59.982 61.601 -1.619 18269 2185 1 5 . 1 1 62 62 THR CB C 62 70.540 70.540 71.442 -0.902 18269 2186 1 5 . 1 1 62 62 THR H H 62 7.156 7.156 7.644 -0.488 18269 2187 1 5 . 1 1 63 63 LYS N N 63 121.251 121.251 123.528 -2.277 18269 2188 1 5 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.221 -0.124 18269 2189 1 5 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.645 0.627 18269 2190 1 5 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.214 -0.059 18269 2191 1 5 . 1 1 63 63 LYS H H 63 8.626 8.626 8.729 -0.103 18269 2192 1 5 . 1 1 64 64 ASP N N 64 116.607 116.607 117.496 -0.889 18269 2193 1 5 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.679 -0.122 18269 2194 1 5 . 1 1 64 64 ASP CA C 64 53.902 53.902 53.750 0.152 18269 2195 1 5 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.646 -1.540 18269 2196 1 5 . 1 1 64 64 ASP H H 64 8.441 8.441 7.898 0.543 18269 2197 1 5 . 1 1 65 65 ALA N N 65 122.486 122.486 122.070 0.416 18269 2198 1 5 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.608 -0.523 18269 2199 1 5 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.576 1.973 18269 2200 1 5 . 1 1 65 65 ALA CB C 65 19.557 19.557 21.129 -1.572 18269 2201 1 5 . 1 1 65 65 ALA H H 65 7.368 7.368 7.507 -0.139 18269 2202 1 5 . 1 1 66 66 ALA N N 66 124.171 124.171 120.820 3.351 18269 2203 1 5 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.430 0.014 18269 2204 1 5 . 1 1 66 66 ALA CA C 66 52.471 52.471 51.655 0.816 18269 2205 1 5 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.273 -0.008 18269 2206 1 5 . 1 1 66 66 ALA H H 66 8.300 8.300 8.598 -0.298 18269 2207 1 5 . 1 1 67 67 THR N N 67 111.638 111.638 115.932 -4.294 18269 2208 1 5 . 1 1 67 67 THR HA H 67 4.496 4.496 4.179 0.317 18269 2209 1 5 . 1 1 67 67 THR CA C 67 60.881 60.881 64.567 -3.686 18269 2210 1 5 . 1 1 67 67 THR CB C 67 70.199 70.199 68.996 1.203 18269 2211 1 5 . 1 1 67 67 THR H H 67 7.730 7.730 8.376 -0.646 18269 2212 1 5 . 1 1 68 68 LYS N N 68 121.732 121.732 121.049 0.683 18269 2213 1 5 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.221 0.315 18269 2214 1 5 . 1 1 68 68 LYS CA C 68 56.562 56.562 57.893 -1.331 18269 2215 1 5 . 1 1 68 68 LYS CB C 68 33.099 33.099 31.731 1.368 18269 2216 1 5 . 1 1 68 68 LYS H H 68 8.502 8.502 8.446 0.056 18269 2217 1 5 . 1 1 69 69 ILE HA H 69 4.339 4.339 4.048 0.291 18269 2218 1 5 . 1 1 69 69 ILE CA C 69 61.706 61.706 62.371 -0.665 18269 2219 1 5 . 1 1 69 69 ILE CB C 69 37.800 37.800 38.030 -0.230 18269 2220 1 5 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.042 0.089 18269 2221 1 5 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.297 1.319 18269 2222 1 5 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.627 0.111 18269 2223 1 5 . 1 1 71 71 SER HA H 71 4.817 4.817 4.284 0.533 18269 2224 1 5 . 1 1 71 71 SER CA C 71 60.667 60.667 60.591 0.076 18269 2225 1 5 . 1 1 71 71 SER CB C 71 62.646 62.646 62.932 -0.286 18269 2226 1 5 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.194 0.070 18269 2227 1 5 . 1 1 72 72 GLU CA C 72 56.629 56.629 57.884 -1.255 18269 2228 1 5 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.332 -1.085 18269 2229 1 5 . 1 1 73 73 VAL N N 73 114.786 114.786 117.811 -3.025 18269 2230 1 5 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.965 0.137 18269 2231 1 5 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.626 -1.885 18269 2232 1 5 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.224 1.042 18269 2233 1 5 . 1 1 73 73 VAL H H 73 7.812 7.812 7.383 0.429 18269 2234 1 5 . 1 1 74 74 THR HA H 74 3.767 3.767 3.937 -0.170 18269 2235 1 5 . 1 1 74 74 THR CA C 74 65.584 65.584 66.323 -0.740 18269 2236 1 5 . 1 1 74 74 THR CB C 74 67.470 67.470 68.523 -1.053 18269 2237 1 5 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.110 0.136 18269 2238 1 5 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.279 1.104 18269 2239 1 5 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.647 0.973 18269 2240 1 5 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.435 0.050 18269 2241 1 5 . 1 1 76 76 PRO CA C 76 65.697 65.697 64.957 0.740 18269 2242 1 5 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.394 -0.499 18269 2243 1 5 . 1 1 77 77 MET N N 77 117.583 117.583 114.636 2.947 18269 2244 1 5 . 1 1 77 77 MET HA H 77 4.684 4.684 4.499 0.185 18269 2245 1 5 . 1 1 77 77 MET CA C 77 59.347 59.347 56.038 3.308 18269 2246 1 5 . 1 1 77 77 MET CB C 77 32.996 32.996 31.510 1.486 18269 2247 1 5 . 1 1 77 77 MET H H 77 7.685 7.685 7.573 0.112 18269 2248 1 5 . 1 1 78 78 SER N N 78 114.578 114.578 113.397 1.181 18269 2249 1 5 . 1 1 78 78 SER HA H 78 4.226 4.226 4.117 0.109 18269 2250 1 5 . 1 1 78 78 SER CA C 78 61.922 61.922 59.383 2.539 18269 2251 1 5 . 1 1 78 78 SER CB C 78 62.406 62.406 63.895 -1.489 18269 2252 1 5 . 1 1 78 78 SER H H 78 8.285 8.285 7.668 0.617 18269 2253 1 5 . 1 1 79 79 VAL N N 79 111.248 111.248 117.872 -6.624 18269 2254 1 5 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.252 0.499 18269 2255 1 5 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.664 -0.538 18269 2256 1 5 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.907 -4.561 18269 2257 1 5 . 1 1 79 79 VAL H H 79 7.004 7.004 6.989 0.015 18269 2258 1 5 . 1 1 80 80 HIS N N 80 116.703 116.703 124.870 -8.167 18269 2259 1 5 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.853 -0.737 18269 2260 1 5 . 1 1 80 80 HIS CA C 80 56.826 56.826 56.923 -0.097 18269 2261 1 5 . 1 1 80 80 HIS CB C 80 25.889 25.889 28.688 -2.799 18269 2262 1 5 . 1 1 80 80 HIS H H 80 8.289 8.289 8.663 -0.374 18269 2263 1 5 . 1 1 81 81 MET N N 81 120.978 120.978 124.420 -3.442 18269 2264 1 5 . 1 1 81 81 MET HA H 81 4.512 4.512 4.823 -0.311 18269 2265 1 5 . 1 1 81 81 MET CA C 81 55.007 55.007 52.478 2.529 18269 2266 1 5 . 1 1 81 81 MET CB C 81 33.265 33.265 33.883 -0.619 18269 2267 1 5 . 1 1 81 81 MET H H 81 8.006 8.006 7.915 0.091 18269 2268 1 5 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.097 0.244 18269 2269 1 5 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.832 -1.595 18269 2270 1 5 . 1 1 82 82 PRO CB C 82 32.663 32.663 31.037 1.626 18269 2271 1 5 . 1 1 83 83 ALA N N 83 126.545 126.545 120.098 6.447 18269 2272 1 5 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.857 0.089 18269 2273 1 5 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.971 1.002 18269 2274 1 5 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.471 1.004 18269 2275 1 5 . 1 1 83 83 ALA H H 83 9.196 9.196 7.877 1.319 18269 2276 1 5 . 1 1 84 84 MET N N 84 114.734 114.734 116.486 -1.752 18269 2277 1 5 . 1 1 84 84 MET HA H 84 4.024 4.024 4.440 -0.416 18269 2278 1 5 . 1 1 84 84 MET CA C 84 58.812 58.812 57.941 0.871 18269 2279 1 5 . 1 1 84 84 MET CB C 84 32.242 32.242 32.048 0.194 18269 2280 1 5 . 1 1 84 84 MET H H 84 9.289 9.289 7.899 1.390 18269 2281 1 5 . 1 1 85 85 LYS N N 85 116.490 116.490 120.921 -4.431 18269 2282 1 5 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.300 -0.126 18269 2283 1 5 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.710 -0.594 18269 2284 1 5 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.517 0.276 18269 2285 1 5 . 1 1 85 85 LYS H H 85 6.997 6.997 7.687 -0.690 18269 2286 1 5 . 1 1 86 86 ILE N N 86 120.561 120.561 120.113 0.448 18269 2287 1 5 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.770 -0.155 18269 2288 1 5 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.401 1.877 18269 2289 1 5 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.683 -0.163 18269 2290 1 5 . 1 1 86 86 ILE H H 86 7.875 7.875 8.033 -0.158 18269 2291 1 5 . 1 1 87 87 CYS N N 87 117.323 117.323 117.602 -0.279 18269 2292 1 5 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.299 -0.223 18269 2293 1 5 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.557 -0.497 18269 2294 1 5 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.506 17.227 18269 2295 1 5 . 1 1 87 87 CYS H H 87 8.643 8.643 7.996 0.647 18269 2296 1 5 . 1 1 88 88 GLU N N 88 118.070 118.070 121.110 -3.040 18269 2297 1 5 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.118 -0.170 18269 2298 1 5 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.820 0.943 18269 2299 1 5 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.523 0.241 18269 2300 1 5 . 1 1 88 88 GLU H H 88 8.045 8.045 7.813 0.232 18269 2301 1 5 . 1 1 89 89 LYS N N 89 119.719 119.719 121.960 -2.241 18269 2302 1 5 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.093 0.045 18269 2303 1 5 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.176 -0.046 18269 2304 1 5 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.490 -0.788 18269 2305 1 5 . 1 1 89 89 LYS H H 89 7.530 7.530 8.301 -0.771 18269 2306 1 5 . 1 1 90 90 LEU N N 90 119.550 119.550 118.943 0.607 18269 2307 1 5 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.096 -0.131 18269 2308 1 5 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.715 0.628 18269 2309 1 5 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.652 -0.661 18269 2310 1 5 . 1 1 90 90 LEU H H 90 8.422 8.422 8.608 -0.186 18269 2311 1 5 . 1 1 91 91 LYS N N 91 119.180 119.180 118.597 0.583 18269 2312 1 5 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.175 -0.313 18269 2313 1 5 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.449 0.156 18269 2314 1 5 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.993 0.484 18269 2315 1 5 . 1 1 91 91 LYS H H 91 8.218 8.218 7.512 0.706 18269 2316 1 5 . 1 1 92 92 LYS N N 92 113.632 113.632 118.153 -4.521 18269 2317 1 5 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.084 -0.031 18269 2318 1 5 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.487 -0.929 18269 2319 1 5 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.391 -0.457 18269 2320 1 5 . 1 1 92 92 LYS H H 92 6.984 6.984 7.528 -0.544 18269 2321 1 5 . 1 1 93 93 LEU N N 93 119.104 119.104 118.804 0.300 18269 2322 1 5 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.328 -0.038 18269 2323 1 5 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.422 -0.318 18269 2324 1 5 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.312 -1.210 18269 2325 1 5 . 1 1 93 93 LEU H H 93 7.456 7.456 7.619 -0.163 18269 2326 1 5 . 1 1 94 94 ASP N N 94 116.790 116.790 116.369 0.421 18269 2327 1 5 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.699 -0.143 18269 2328 1 5 . 1 1 94 94 ASP CA C 94 54.366 54.366 54.173 0.193 18269 2329 1 5 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.102 -0.929 18269 2330 1 5 . 1 1 94 94 ASP H H 94 7.911 7.911 8.223 -0.312 18269 2331 1 5 . 1 1 95 95 SER N N 95 122.399 122.399 120.157 2.242 18269 2332 1 5 . 1 1 95 95 SER HA H 95 4.186 4.186 4.311 -0.125 18269 2333 1 5 . 1 1 95 95 SER CA C 95 61.472 61.472 60.464 1.008 18269 2334 1 5 . 1 1 95 95 SER CB C 95 62.568 62.568 63.474 -0.906 18269 2335 1 5 . 1 1 95 95 SER H H 95 8.894 8.894 8.697 0.197 18269 2336 1 5 . 1 1 96 96 GLN N N 96 120.800 120.800 123.184 -2.384 18269 2337 1 5 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.298 -0.436 18269 2338 1 5 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.249 -0.098 18269 2339 1 5 . 1 1 96 96 GLN CB C 96 28.417 28.417 27.511 0.906 18269 2340 1 5 . 1 1 96 96 GLN H H 96 8.610 8.610 8.142 0.468 18269 2341 1 5 . 1 1 97 97 ILE N N 97 117.387 117.387 121.286 -3.899 18269 2342 1 5 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.564 -0.165 18269 2343 1 5 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.455 1.376 18269 2344 1 5 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.701 0.573 18269 2345 1 5 . 1 1 97 97 ILE H H 97 7.470 7.470 8.053 -0.583 18269 2346 1 5 . 1 1 98 98 CYS N N 98 113.485 113.485 114.813 -1.328 18269 2347 1 5 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.303 0.768 18269 2348 1 5 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.547 2.426 18269 2349 1 5 . 1 1 98 98 CYS CB C 98 48.586 48.586 26.561 22.025 18269 2350 1 5 . 1 1 98 98 CYS H H 98 7.410 7.410 7.565 -0.155 18269 2351 1 5 . 1 1 99 99 GLU N N 99 119.123 119.123 118.581 0.542 18269 2352 1 5 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.310 0.013 18269 2353 1 5 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.630 1.096 18269 2354 1 5 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.910 1.069 18269 2355 1 5 . 1 1 99 99 GLU H H 99 7.308 7.308 7.588 -0.280 18269 2356 1 5 . 1 1 100 100 LEU N N 100 115.771 115.771 121.725 -5.954 18269 2357 1 5 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.989 0.308 18269 2358 1 5 . 1 1 100 100 LEU CA C 100 55.682 55.682 57.113 -1.431 18269 2359 1 5 . 1 1 100 100 LEU CB C 100 42.961 42.961 41.846 1.115 18269 2360 1 5 . 1 1 100 100 LEU H H 100 6.496 6.496 7.341 -0.845 18269 2361 1 5 . 1 1 101 101 LYS N N 101 125.672 125.672 111.960 13.712 18269 2362 1 5 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.896 0.698 18269 2363 1 5 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.502 -1.152 18269 2364 1 5 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.683 4.040 18269 2365 1 5 . 1 1 101 101 LYS H H 101 8.575 8.575 8.103 0.472 18269 2366 1 5 . 1 1 102 102 TYR N N 102 120.395 120.395 122.836 -2.441 18269 2367 1 5 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.306 0.076 18269 2368 1 5 . 1 1 102 102 TYR CA C 102 60.024 60.024 59.410 0.614 18269 2369 1 5 . 1 1 102 102 TYR CB C 102 38.328 38.328 37.799 0.529 18269 2370 1 5 . 1 1 102 102 TYR H H 102 8.756 8.756 8.609 0.147 18269 2371 1 5 . 1 1 103 103 GLU N N 103 121.550 121.550 122.109 -0.559 18269 2372 1 5 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.139 0.253 18269 2373 1 5 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.384 -1.057 18269 2374 1 5 . 1 1 103 103 GLU CB C 103 30.302 30.302 27.449 2.853 18269 2375 1 5 . 1 1 103 103 GLU H H 103 8.835 8.835 9.049 -0.214 18269 2376 1 5 . 1 1 104 104 LYS N N 104 122.957 122.957 116.740 6.217 18269 2377 1 5 . 1 1 104 104 LYS HA H 104 4.461 4.461 3.911 0.550 18269 2378 1 5 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.588 -1.314 18269 2379 1 5 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.518 1.529 18269 2380 1 5 . 1 1 104 104 LYS H H 104 8.490 8.490 8.127 0.363 18269 2381 1 6 . 1 1 2 2 GLU N N 2 121.590 121.590 119.195 2.395 18269 2382 1 6 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.058 0.236 18269 2383 1 6 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.067 -0.550 18269 2384 1 6 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.921 0.230 18269 2385 1 6 . 1 1 2 2 GLU H H 2 8.621 8.621 8.520 0.101 18269 2386 1 6 . 1 1 3 3 ALA N N 3 125.815 125.815 122.106 3.709 18269 2387 1 6 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.386 -0.020 18269 2388 1 6 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.285 0.372 18269 2389 1 6 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.343 -1.396 18269 2390 1 6 . 1 1 3 3 ALA H H 3 8.598 8.598 8.515 0.083 18269 2391 1 6 . 1 1 4 4 GLY N N 4 108.386 108.386 107.434 0.952 18269 2392 1 6 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.280 -0.143 18269 2393 1 6 . 1 1 4 4 GLY H H 4 8.487 8.487 8.504 -0.017 18269 2394 1 6 . 1 1 5 5 GLY N N 5 108.367 108.367 108.337 0.030 18269 2395 1 6 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.852 -0.098 18269 2396 1 6 . 1 1 5 5 GLY H H 5 8.274 8.274 8.766 -0.492 18269 2397 1 6 . 1 1 6 6 ARG N N 6 121.577 121.577 118.763 2.814 18269 2398 1 6 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.013 0.662 18269 2399 1 6 . 1 1 6 6 ARG CA C 6 53.881 53.881 56.283 -2.402 18269 2400 1 6 . 1 1 6 6 ARG CB C 6 30.135 30.135 29.056 1.079 18269 2401 1 6 . 1 1 6 6 ARG H H 6 8.297 8.297 8.448 -0.151 18269 2402 1 6 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.710 -0.220 18269 2403 1 6 . 1 1 7 7 PRO CA C 7 63.353 63.353 61.706 1.647 18269 2404 1 6 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.695 0.352 18269 2405 1 6 . 1 1 8 8 GLY N N 8 109.658 109.658 108.119 1.539 18269 2406 1 6 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.006 0.082 18269 2407 1 6 . 1 1 8 8 GLY H H 8 8.660 8.660 8.075 0.585 18269 2408 1 6 . 1 1 9 9 ALA N N 9 123.995 123.995 121.462 2.533 18269 2409 1 6 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.485 -0.045 18269 2410 1 6 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.499 -0.702 18269 2411 1 6 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.190 0.089 18269 2412 1 6 . 1 1 9 9 ALA H H 9 8.200 8.200 7.456 0.744 18269 2413 1 6 . 1 1 10 10 ASP N N 10 119.834 119.834 119.485 0.349 18269 2414 1 6 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.739 -0.082 18269 2415 1 6 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.306 0.234 18269 2416 1 6 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.353 -0.847 18269 2417 1 6 . 1 1 10 10 ASP H H 10 8.290 8.290 8.479 -0.189 18269 2418 1 6 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.425 0.205 18269 2419 1 6 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.888 -5.130 18269 2420 1 6 . 1 1 11 11 CYS CB C 11 40.460 40.460 25.489 14.971 18269 2421 1 6 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.962 0.001 18269 2422 1 6 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.326 1.051 18269 2423 1 6 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.680 1.575 18269 2424 1 6 . 1 1 13 13 VAL N N 13 117.224 117.224 118.153 -0.929 18269 2425 1 6 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.645 0.101 18269 2426 1 6 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.004 -0.958 18269 2427 1 6 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.347 -0.129 18269 2428 1 6 . 1 1 13 13 VAL H H 13 7.040 7.040 8.393 -1.353 18269 2429 1 6 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.150 -0.065 18269 2430 1 6 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.766 -0.321 18269 2431 1 6 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.660 15.559 18269 2432 1 6 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.003 0.056 18269 2433 1 6 . 1 1 15 15 LYS CA C 15 57.571 57.571 60.364 -2.793 18269 2434 1 6 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.141 0.109 18269 2435 1 6 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.131 0.200 18269 2436 1 6 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.411 -0.237 18269 2437 1 6 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.490 -0.084 18269 2438 1 6 . 1 1 16 16 GLU H H 16 8.098 8.098 7.868 0.230 18269 2439 1 6 . 1 1 17 17 PHE N N 17 120.745 120.745 121.184 -0.439 18269 2440 1 6 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.450 -0.135 18269 2441 1 6 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.021 0.493 18269 2442 1 6 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.279 1.234 18269 2443 1 6 . 1 1 17 17 PHE H H 17 9.126 9.126 7.922 1.204 18269 2444 1 6 . 1 1 18 18 LEU N N 18 115.787 115.787 119.451 -3.664 18269 2445 1 6 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.942 0.201 18269 2446 1 6 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.527 -0.650 18269 2447 1 6 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.557 -0.605 18269 2448 1 6 . 1 1 18 18 LEU H H 18 8.505 8.505 8.645 -0.140 18269 2449 1 6 . 1 1 19 19 ASN N N 19 117.635 117.635 117.152 0.483 18269 2450 1 6 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.361 0.515 18269 2451 1 6 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.782 -0.308 18269 2452 1 6 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.898 -0.570 18269 2453 1 6 . 1 1 19 19 ASN H H 19 8.405 8.405 8.749 -0.344 18269 2454 1 6 . 1 1 20 20 ARG N N 20 122.851 122.851 119.511 3.340 18269 2455 1 6 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.032 0.085 18269 2456 1 6 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.542 0.747 18269 2457 1 6 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.123 0.332 18269 2458 1 6 . 1 1 20 20 ARG H H 20 8.325 8.325 8.043 0.282 18269 2459 1 6 . 1 1 21 21 PHE N N 21 121.774 121.774 121.775 -0.001 18269 2460 1 6 . 1 1 21 21 PHE HA H 21 3.280 3.280 2.873 0.407 18269 2461 1 6 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.616 -1.605 18269 2462 1 6 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.189 -0.178 18269 2463 1 6 . 1 1 21 21 PHE H H 21 8.438 8.438 8.389 0.049 18269 2464 1 6 . 1 1 22 22 TYR N N 22 119.937 119.937 120.711 -0.774 18269 2465 1 6 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.685 0.104 18269 2466 1 6 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.346 -0.695 18269 2467 1 6 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.413 -0.140 18269 2468 1 6 . 1 1 22 22 TYR H H 22 8.708 8.708 8.531 0.177 18269 2469 1 6 . 1 1 23 23 LYS N N 23 116.431 116.431 116.961 -0.530 18269 2470 1 6 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.950 -0.091 18269 2471 1 6 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.661 0.482 18269 2472 1 6 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.373 0.844 18269 2473 1 6 . 1 1 23 23 LYS H H 23 7.928 7.928 8.437 -0.509 18269 2474 1 6 . 1 1 24 24 SER N N 24 113.888 113.888 117.746 -3.858 18269 2475 1 6 . 1 1 24 24 SER HA H 24 4.325 4.325 4.151 0.174 18269 2476 1 6 . 1 1 24 24 SER CA C 24 61.016 61.016 62.126 -1.110 18269 2477 1 6 . 1 1 24 24 SER CB C 24 62.837 62.837 62.795 0.042 18269 2478 1 6 . 1 1 24 24 SER H H 24 7.665 7.665 7.992 -0.327 18269 2479 1 6 . 1 1 25 25 LEU N N 25 119.663 119.663 122.714 -3.051 18269 2480 1 6 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.806 -0.127 18269 2481 1 6 . 1 1 25 25 LEU CA C 25 57.505 57.505 58.267 -0.762 18269 2482 1 6 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.046 0.856 18269 2483 1 6 . 1 1 25 25 LEU H H 25 7.573 7.573 8.029 -0.456 18269 2484 1 6 . 1 1 26 26 ILE N N 26 119.781 119.781 118.345 1.436 18269 2485 1 6 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.590 0.266 18269 2486 1 6 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.663 -0.114 18269 2487 1 6 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.234 1.071 18269 2488 1 6 . 1 1 26 26 ILE H H 26 8.094 8.094 7.426 0.668 18269 2489 1 6 . 1 1 27 27 ASP N N 27 122.421 122.421 120.477 1.944 18269 2490 1 6 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.364 0.012 18269 2491 1 6 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.789 0.231 18269 2492 1 6 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.217 -1.137 18269 2493 1 6 . 1 1 27 27 ASP H H 27 9.091 9.091 8.097 0.994 18269 2494 1 6 . 1 1 28 28 ARG N N 28 115.349 115.349 117.718 -2.369 18269 2495 1 6 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.180 0.125 18269 2496 1 6 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.728 -0.230 18269 2497 1 6 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.664 0.949 18269 2498 1 6 . 1 1 28 28 ARG H H 28 7.587 7.587 8.331 -0.744 18269 2499 1 6 . 1 1 29 29 GLY N N 29 109.999 109.999 107.731 2.268 18269 2500 1 6 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.155 1.506 18269 2501 1 6 . 1 1 29 29 GLY H H 29 7.909 7.909 7.753 0.156 18269 2502 1 6 . 1 1 30 30 VAL N N 30 118.740 118.740 120.316 -1.576 18269 2503 1 6 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.397 -0.638 18269 2504 1 6 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.095 1.375 18269 2505 1 6 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.331 -0.005 18269 2506 1 6 . 1 1 30 30 VAL H H 30 7.701 7.701 8.069 -0.368 18269 2507 1 6 . 1 1 31 31 ASN N N 31 123.250 123.250 124.648 -1.398 18269 2508 1 6 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.715 -0.002 18269 2509 1 6 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.657 0.831 18269 2510 1 6 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.283 -1.072 18269 2511 1 6 . 1 1 31 31 ASN H H 31 8.498 8.498 8.143 0.355 18269 2512 1 6 . 1 1 32 32 PHE N N 32 126.076 126.076 114.716 11.360 18269 2513 1 6 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.268 -0.130 18269 2514 1 6 . 1 1 32 32 PHE CA C 32 58.647 58.647 59.123 -0.476 18269 2515 1 6 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.632 -0.853 18269 2516 1 6 . 1 1 32 32 PHE H H 32 8.783 8.783 8.114 0.669 18269 2517 1 6 . 1 1 33 33 SER N N 33 115.958 115.958 113.755 2.203 18269 2518 1 6 . 1 1 33 33 SER HA H 33 4.736 4.736 4.740 -0.004 18269 2519 1 6 . 1 1 33 33 SER CA C 33 56.745 56.745 57.389 -0.644 18269 2520 1 6 . 1 1 33 33 SER CB C 33 64.899 64.899 64.269 0.630 18269 2521 1 6 . 1 1 33 33 SER H H 33 7.699 7.699 7.768 -0.069 18269 2522 1 6 . 1 1 34 34 LEU N N 34 124.359 124.359 127.168 -2.809 18269 2523 1 6 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.019 -0.166 18269 2524 1 6 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.345 1.326 18269 2525 1 6 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.728 -0.182 18269 2526 1 6 . 1 1 34 34 LEU H H 34 8.935 8.935 8.828 0.107 18269 2527 1 6 . 1 1 35 35 ASP N N 35 115.345 115.345 116.769 -1.424 18269 2528 1 6 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.664 -0.286 18269 2529 1 6 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.320 -0.462 18269 2530 1 6 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.215 -0.055 18269 2531 1 6 . 1 1 35 35 ASP H H 35 8.575 8.575 8.643 -0.068 18269 2532 1 6 . 1 1 36 36 THR N N 36 116.789 116.789 116.697 0.092 18269 2533 1 6 . 1 1 36 36 THR HA H 36 4.015 4.015 4.206 -0.191 18269 2534 1 6 . 1 1 36 36 THR CA C 36 66.069 66.069 66.224 -0.155 18269 2535 1 6 . 1 1 36 36 THR CB C 36 68.780 68.780 68.796 -0.016 18269 2536 1 6 . 1 1 36 36 THR H H 36 7.593 7.593 7.436 0.157 18269 2537 1 6 . 1 1 37 37 ILE N N 37 120.685 120.685 121.297 -0.612 18269 2538 1 6 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.831 -0.462 18269 2539 1 6 . 1 1 37 37 ILE CA C 37 65.800 65.800 62.824 2.976 18269 2540 1 6 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.113 0.978 18269 2541 1 6 . 1 1 37 37 ILE H H 37 8.436 8.436 8.373 0.063 18269 2542 1 6 . 1 1 38 38 GLU N N 38 118.792 118.792 118.046 0.746 18269 2543 1 6 . 1 1 38 38 GLU HA H 38 3.678 3.678 4.075 -0.397 18269 2544 1 6 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.062 1.998 18269 2545 1 6 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.260 0.611 18269 2546 1 6 . 1 1 38 38 GLU H H 38 8.122 8.122 8.048 0.074 18269 2547 1 6 . 1 1 39 39 LYS N N 39 116.986 116.986 119.462 -2.476 18269 2548 1 6 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.289 -0.328 18269 2549 1 6 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.482 1.264 18269 2550 1 6 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.819 -0.509 18269 2551 1 6 . 1 1 39 39 LYS H H 39 7.586 7.586 7.465 0.121 18269 2552 1 6 . 1 1 40 40 GLU N N 40 117.892 117.892 120.218 -2.326 18269 2553 1 6 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.310 -0.105 18269 2554 1 6 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.367 -0.008 18269 2555 1 6 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.412 -0.833 18269 2556 1 6 . 1 1 40 40 GLU H H 40 8.690 8.690 8.120 0.570 18269 2557 1 6 . 1 1 41 41 LEU N N 41 125.830 125.830 120.701 5.129 18269 2558 1 6 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.888 -0.341 18269 2559 1 6 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.098 -0.270 18269 2560 1 6 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.830 -1.492 18269 2561 1 6 . 1 1 41 41 LEU H H 41 8.978 8.978 8.575 0.403 18269 2562 1 6 . 1 1 42 42 ILE N N 42 119.900 119.900 120.079 -0.179 18269 2563 1 6 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.949 -0.365 18269 2564 1 6 . 1 1 42 42 ILE CA C 42 65.832 65.832 64.823 1.009 18269 2565 1 6 . 1 1 42 42 ILE CB C 42 37.790 37.790 38.117 -0.327 18269 2566 1 6 . 1 1 42 42 ILE H H 42 7.884 7.884 7.634 0.250 18269 2567 1 6 . 1 1 43 43 SER N N 43 114.071 114.071 116.956 -2.885 18269 2568 1 6 . 1 1 43 43 SER HA H 43 4.277 4.277 4.147 0.130 18269 2569 1 6 . 1 1 43 43 SER CA C 43 61.598 61.598 61.906 -0.308 18269 2570 1 6 . 1 1 43 43 SER CB C 43 62.767 62.767 63.208 -0.441 18269 2571 1 6 . 1 1 43 43 SER H H 43 7.791 7.791 8.318 -0.527 18269 2572 1 6 . 1 1 44 44 PHE N N 44 125.036 125.036 122.167 2.869 18269 2573 1 6 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.504 -0.175 18269 2574 1 6 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.268 -0.011 18269 2575 1 6 . 1 1 44 44 PHE CB C 44 40.631 40.631 40.002 0.629 18269 2576 1 6 . 1 1 44 44 PHE H H 44 9.060 9.060 8.680 0.380 18269 2577 1 6 . 1 1 45 45 CYS N N 45 112.824 112.824 119.326 -6.502 18269 2578 1 6 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.904 -0.298 18269 2579 1 6 . 1 1 45 45 CYS CA C 45 59.236 59.236 60.289 -1.053 18269 2580 1 6 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.106 16.517 18269 2581 1 6 . 1 1 45 45 CYS H H 45 8.254 8.254 8.365 -0.111 18269 2582 1 6 . 1 1 46 46 LEU N N 46 123.875 123.875 121.728 2.147 18269 2583 1 6 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.387 -0.212 18269 2584 1 6 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.191 0.959 18269 2585 1 6 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.480 -0.228 18269 2586 1 6 . 1 1 46 46 LEU H H 46 7.776 7.776 7.965 -0.189 18269 2587 1 6 . 1 1 47 47 ASP N N 47 116.880 116.880 119.828 -2.948 18269 2588 1 6 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.641 0.269 18269 2589 1 6 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.563 -0.978 18269 2590 1 6 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.827 0.548 18269 2591 1 6 . 1 1 47 47 ASP H H 47 7.852 7.852 7.954 -0.102 18269 2592 1 6 . 1 1 48 48 THR N N 48 108.053 108.053 113.984 -5.931 18269 2593 1 6 . 1 1 48 48 THR HA H 48 4.461 4.461 4.409 0.052 18269 2594 1 6 . 1 1 48 48 THR CA C 48 60.844 60.844 60.598 0.246 18269 2595 1 6 . 1 1 48 48 THR CB C 48 73.395 73.395 70.797 2.598 18269 2596 1 6 . 1 1 48 48 THR H H 48 7.139 7.139 7.909 -0.770 18269 2597 1 6 . 1 1 49 49 LYS N N 49 118.308 118.308 119.670 -1.362 18269 2598 1 6 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.687 0.031 18269 2599 1 6 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.426 -0.382 18269 2600 1 6 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.696 2.874 18269 2601 1 6 . 1 1 49 49 LYS H H 49 8.755 8.755 9.535 -0.780 18269 2602 1 6 . 1 1 50 50 GLY N N 50 108.996 108.996 110.210 -1.214 18269 2603 1 6 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.886 -1.043 18269 2604 1 6 . 1 1 50 50 GLY H H 50 8.866 8.866 8.664 0.202 18269 2605 1 6 . 1 1 51 51 LYS N N 51 126.155 126.155 121.588 4.567 18269 2606 1 6 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.042 -0.072 18269 2607 1 6 . 1 1 51 51 LYS CA C 51 58.110 58.110 58.903 -0.793 18269 2608 1 6 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.025 0.594 18269 2609 1 6 . 1 1 51 51 LYS H H 51 9.254 9.254 8.705 0.549 18269 2610 1 6 . 1 1 52 52 GLU N N 52 116.496 116.496 119.260 -2.764 18269 2611 1 6 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.150 -0.627 18269 2612 1 6 . 1 1 52 52 GLU CA C 52 59.390 59.390 58.927 0.463 18269 2613 1 6 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.719 -1.033 18269 2614 1 6 . 1 1 52 52 GLU H H 52 8.223 8.223 8.036 0.187 18269 2615 1 6 . 1 1 53 53 ASN N N 53 119.000 119.000 119.621 -0.621 18269 2616 1 6 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.826 -0.442 18269 2617 1 6 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.891 1.087 18269 2618 1 6 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.725 0.721 18269 2619 1 6 . 1 1 53 53 ASN H H 53 6.840 6.840 8.797 -1.957 18269 2620 1 6 . 1 1 54 54 ARG N N 54 118.480 118.480 119.403 -0.923 18269 2621 1 6 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.405 -0.636 18269 2622 1 6 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.771 -0.374 18269 2623 1 6 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.973 -1.233 18269 2624 1 6 . 1 1 54 54 ARG H H 54 7.456 7.456 8.281 -0.825 18269 2625 1 6 . 1 1 55 55 LEU N N 55 118.688 118.688 121.670 -2.982 18269 2626 1 6 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.239 -0.431 18269 2627 1 6 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.678 0.781 18269 2628 1 6 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.577 -1.457 18269 2629 1 6 . 1 1 55 55 LEU H H 55 7.843 7.843 7.886 -0.043 18269 2630 1 6 . 1 1 56 56 CYS N N 56 115.905 115.905 118.588 -2.683 18269 2631 1 6 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.855 0.018 18269 2632 1 6 . 1 1 56 56 CYS CA C 56 63.037 63.037 62.569 0.468 18269 2633 1 6 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.351 16.554 18269 2634 1 6 . 1 1 56 56 CYS H H 56 7.752 7.752 7.953 -0.201 18269 2635 1 6 . 1 1 57 57 TYR N N 57 121.810 121.810 116.859 4.951 18269 2636 1 6 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.392 -0.249 18269 2637 1 6 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.696 0.619 18269 2638 1 6 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.414 -0.360 18269 2639 1 6 . 1 1 57 57 TYR H H 57 7.911 7.911 8.038 -0.127 18269 2640 1 6 . 1 1 58 58 TYR N N 58 121.916 121.916 117.640 4.276 18269 2641 1 6 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.245 0.130 18269 2642 1 6 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.802 -1.793 18269 2643 1 6 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.893 -0.869 18269 2644 1 6 . 1 1 58 58 TYR H H 58 8.334 8.334 7.449 0.885 18269 2645 1 6 . 1 1 59 59 LEU N N 59 114.461 114.461 115.217 -0.756 18269 2646 1 6 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.015 0.105 18269 2647 1 6 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.917 -0.688 18269 2648 1 6 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.993 0.052 18269 2649 1 6 . 1 1 59 59 LEU H H 59 8.079 8.079 8.363 -0.284 18269 2650 1 6 . 1 1 60 60 GLY N N 60 102.559 102.559 104.032 -1.473 18269 2651 1 6 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.042 0.530 18269 2652 1 6 . 1 1 60 60 GLY H H 60 7.562 7.562 7.694 -0.132 18269 2653 1 6 . 1 1 61 61 ALA N N 61 120.327 120.327 121.276 -0.949 18269 2654 1 6 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.389 0.012 18269 2655 1 6 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.595 -0.330 18269 2656 1 6 . 1 1 61 61 ALA CB C 61 20.337 20.337 19.551 0.786 18269 2657 1 6 . 1 1 61 61 ALA H H 61 7.995 7.995 8.017 -0.022 18269 2658 1 6 . 1 1 62 62 THR N N 62 106.895 106.895 110.451 -3.556 18269 2659 1 6 . 1 1 62 62 THR HA H 62 4.518 4.518 4.508 0.010 18269 2660 1 6 . 1 1 62 62 THR CA C 62 59.982 59.982 59.901 0.081 18269 2661 1 6 . 1 1 62 62 THR CB C 62 70.540 70.540 71.303 -0.763 18269 2662 1 6 . 1 1 62 62 THR H H 62 7.156 7.156 7.384 -0.228 18269 2663 1 6 . 1 1 63 63 LYS N N 63 121.251 121.251 124.439 -3.188 18269 2664 1 6 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.158 -0.061 18269 2665 1 6 . 1 1 63 63 LYS CA C 63 58.272 58.272 58.437 -0.165 18269 2666 1 6 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.304 -0.149 18269 2667 1 6 . 1 1 63 63 LYS H H 63 8.626 8.626 8.590 0.036 18269 2668 1 6 . 1 1 64 64 ASP N N 64 116.607 116.607 115.393 1.214 18269 2669 1 6 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.548 0.009 18269 2670 1 6 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.905 -1.003 18269 2671 1 6 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.164 -1.058 18269 2672 1 6 . 1 1 64 64 ASP H H 64 8.441 8.441 7.761 0.680 18269 2673 1 6 . 1 1 65 65 ALA N N 65 122.486 122.486 120.928 1.558 18269 2674 1 6 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.636 -0.551 18269 2675 1 6 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.041 1.508 18269 2676 1 6 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.731 -1.174 18269 2677 1 6 . 1 1 65 65 ALA H H 65 7.368 7.368 7.296 0.072 18269 2678 1 6 . 1 1 66 66 ALA N N 66 124.171 124.171 121.863 2.308 18269 2679 1 6 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.182 0.262 18269 2680 1 6 . 1 1 66 66 ALA CA C 66 52.471 52.471 53.022 -0.551 18269 2681 1 6 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.040 1.225 18269 2682 1 6 . 1 1 66 66 ALA H H 66 8.300 8.300 8.554 -0.254 18269 2683 1 6 . 1 1 67 67 THR N N 67 111.638 111.638 120.017 -8.379 18269 2684 1 6 . 1 1 67 67 THR HA H 67 4.496 4.496 4.212 0.284 18269 2685 1 6 . 1 1 67 67 THR CA C 67 60.881 60.881 64.939 -4.058 18269 2686 1 6 . 1 1 67 67 THR CB C 67 70.199 70.199 69.068 1.131 18269 2687 1 6 . 1 1 67 67 THR H H 67 7.730 7.730 8.233 -0.503 18269 2688 1 6 . 1 1 68 68 LYS N N 68 121.732 121.732 121.617 0.115 18269 2689 1 6 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.153 0.383 18269 2690 1 6 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.710 -2.148 18269 2691 1 6 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.296 0.803 18269 2692 1 6 . 1 1 68 68 LYS H H 68 8.502 8.502 8.117 0.385 18269 2693 1 6 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.812 0.527 18269 2694 1 6 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.187 -1.481 18269 2695 1 6 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.684 0.116 18269 2696 1 6 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.972 0.159 18269 2697 1 6 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.059 0.558 18269 2698 1 6 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.713 0.025 18269 2699 1 6 . 1 1 71 71 SER HA H 71 4.817 4.817 4.201 0.616 18269 2700 1 6 . 1 1 71 71 SER CA C 71 60.667 60.667 61.479 -0.812 18269 2701 1 6 . 1 1 71 71 SER CB C 71 62.646 62.646 62.937 -0.291 18269 2702 1 6 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.193 0.071 18269 2703 1 6 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.719 -2.090 18269 2704 1 6 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.617 -1.370 18269 2705 1 6 . 1 1 73 73 VAL N N 73 114.786 114.786 116.765 -1.979 18269 2706 1 6 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.058 0.044 18269 2707 1 6 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.120 -1.379 18269 2708 1 6 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.240 1.024 18269 2709 1 6 . 1 1 73 73 VAL H H 73 7.812 7.812 7.905 -0.093 18269 2710 1 6 . 1 1 74 74 THR HA H 74 3.767 3.767 3.991 -0.224 18269 2711 1 6 . 1 1 74 74 THR CA C 74 65.584 65.584 66.358 -0.774 18269 2712 1 6 . 1 1 74 74 THR CB C 74 67.470 67.470 68.423 -0.953 18269 2713 1 6 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.168 0.078 18269 2714 1 6 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.191 1.192 18269 2715 1 6 . 1 1 75 75 ARG CB C 75 28.620 28.620 28.046 0.574 18269 2716 1 6 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.301 0.184 18269 2717 1 6 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.383 0.314 18269 2718 1 6 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.530 -0.635 18269 2719 1 6 . 1 1 77 77 MET N N 77 117.583 117.583 114.901 2.682 18269 2720 1 6 . 1 1 77 77 MET HA H 77 4.684 4.684 4.352 0.332 18269 2721 1 6 . 1 1 77 77 MET CA C 77 59.347 59.347 56.292 3.055 18269 2722 1 6 . 1 1 77 77 MET CB C 77 32.996 32.996 31.192 1.804 18269 2723 1 6 . 1 1 77 77 MET H H 77 7.685 7.685 8.610 -0.925 18269 2724 1 6 . 1 1 78 78 SER N N 78 114.578 114.578 113.798 0.780 18269 2725 1 6 . 1 1 78 78 SER HA H 78 4.226 4.226 4.124 0.102 18269 2726 1 6 . 1 1 78 78 SER CA C 78 61.922 61.922 59.840 2.082 18269 2727 1 6 . 1 1 78 78 SER CB C 78 62.406 62.406 63.763 -1.357 18269 2728 1 6 . 1 1 78 78 SER H H 78 8.285 8.285 7.687 0.598 18269 2729 1 6 . 1 1 79 79 VAL N N 79 111.248 111.248 118.501 -7.253 18269 2730 1 6 . 1 1 79 79 VAL HA H 79 4.751 4.751 3.704 1.047 18269 2731 1 6 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.060 1.066 18269 2732 1 6 . 1 1 79 79 VAL CB C 79 30.346 30.346 35.382 -5.035 18269 2733 1 6 . 1 1 79 79 VAL H H 79 7.004 7.004 7.366 -0.362 18269 2734 1 6 . 1 1 80 80 HIS N N 80 116.703 116.703 122.201 -5.498 18269 2735 1 6 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.357 -0.241 18269 2736 1 6 . 1 1 80 80 HIS CA C 80 56.826 56.826 56.924 -0.098 18269 2737 1 6 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.659 -3.770 18269 2738 1 6 . 1 1 80 80 HIS H H 80 8.289 8.289 8.619 -0.330 18269 2739 1 6 . 1 1 81 81 MET N N 81 120.978 120.978 124.313 -3.335 18269 2740 1 6 . 1 1 81 81 MET HA H 81 4.512 4.512 4.904 -0.392 18269 2741 1 6 . 1 1 81 81 MET CA C 81 55.007 55.007 52.474 2.533 18269 2742 1 6 . 1 1 81 81 MET CB C 81 33.265 33.265 34.257 -0.992 18269 2743 1 6 . 1 1 81 81 MET H H 81 8.006 8.006 8.622 -0.616 18269 2744 1 6 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.209 0.132 18269 2745 1 6 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.696 -1.460 18269 2746 1 6 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.583 2.080 18269 2747 1 6 . 1 1 83 83 ALA N N 83 126.545 126.545 120.530 6.015 18269 2748 1 6 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.908 0.038 18269 2749 1 6 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.937 1.036 18269 2750 1 6 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.437 1.038 18269 2751 1 6 . 1 1 83 83 ALA H H 83 9.196 9.196 8.049 1.147 18269 2752 1 6 . 1 1 84 84 MET N N 84 114.734 114.734 117.188 -2.454 18269 2753 1 6 . 1 1 84 84 MET HA H 84 4.024 4.024 4.268 -0.244 18269 2754 1 6 . 1 1 84 84 MET CA C 84 58.812 58.812 58.310 0.501 18269 2755 1 6 . 1 1 84 84 MET CB C 84 32.242 32.242 32.007 0.235 18269 2756 1 6 . 1 1 84 84 MET H H 84 9.289 9.289 8.079 1.210 18269 2757 1 6 . 1 1 85 85 LYS N N 85 116.490 116.490 119.309 -2.819 18269 2758 1 6 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.245 -0.071 18269 2759 1 6 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.606 -0.490 18269 2760 1 6 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.821 -0.028 18269 2761 1 6 . 1 1 85 85 LYS H H 85 6.997 6.997 8.591 -1.593 18269 2762 1 6 . 1 1 86 86 ILE N N 86 120.561 120.561 121.641 -1.080 18269 2763 1 6 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.643 -0.028 18269 2764 1 6 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.419 0.859 18269 2765 1 6 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.775 -0.255 18269 2766 1 6 . 1 1 86 86 ILE H H 86 7.875 7.875 7.443 0.432 18269 2767 1 6 . 1 1 87 87 CYS N N 87 117.323 117.323 117.493 -0.170 18269 2768 1 6 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.131 -0.055 18269 2769 1 6 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.582 -0.522 18269 2770 1 6 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.406 17.327 18269 2771 1 6 . 1 1 87 87 CYS H H 87 8.643 8.643 7.834 0.809 18269 2772 1 6 . 1 1 88 88 GLU N N 88 118.070 118.070 121.106 -3.036 18269 2773 1 6 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.127 -0.179 18269 2774 1 6 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.690 1.073 18269 2775 1 6 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.413 0.351 18269 2776 1 6 . 1 1 88 88 GLU H H 88 8.045 8.045 7.612 0.433 18269 2777 1 6 . 1 1 89 89 LYS N N 89 119.719 119.719 120.311 -0.592 18269 2778 1 6 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.075 0.063 18269 2779 1 6 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.080 0.050 18269 2780 1 6 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.193 -0.490 18269 2781 1 6 . 1 1 89 89 LYS H H 89 7.530 7.530 8.253 -0.723 18269 2782 1 6 . 1 1 90 90 LEU N N 90 119.550 119.550 119.993 -0.443 18269 2783 1 6 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.050 -0.085 18269 2784 1 6 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.985 0.358 18269 2785 1 6 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.481 -0.490 18269 2786 1 6 . 1 1 90 90 LEU H H 90 8.422 8.422 8.042 0.380 18269 2787 1 6 . 1 1 91 91 LYS N N 91 119.180 119.180 118.960 0.220 18269 2788 1 6 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.201 -0.339 18269 2789 1 6 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.947 -0.342 18269 2790 1 6 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.047 0.430 18269 2791 1 6 . 1 1 91 91 LYS H H 91 8.218 8.218 7.932 0.286 18269 2792 1 6 . 1 1 92 92 LYS N N 92 113.632 113.632 119.697 -6.065 18269 2793 1 6 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.154 -0.101 18269 2794 1 6 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.304 -0.746 18269 2795 1 6 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.147 -0.213 18269 2796 1 6 . 1 1 92 92 LYS H H 92 6.984 6.984 7.464 -0.480 18269 2797 1 6 . 1 1 93 93 LEU N N 93 119.104 119.104 118.462 0.642 18269 2798 1 6 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.313 -0.023 18269 2799 1 6 . 1 1 93 93 LEU CA C 93 56.104 56.104 55.834 0.270 18269 2800 1 6 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.218 -1.116 18269 2801 1 6 . 1 1 93 93 LEU H H 93 7.456 7.456 7.534 -0.078 18269 2802 1 6 . 1 1 94 94 ASP N N 94 116.790 116.790 116.340 0.450 18269 2803 1 6 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.773 -0.217 18269 2804 1 6 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.510 0.856 18269 2805 1 6 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.763 -1.590 18269 2806 1 6 . 1 1 94 94 ASP H H 94 7.911 7.911 8.138 -0.227 18269 2807 1 6 . 1 1 95 95 SER N N 95 122.399 122.399 119.310 3.089 18269 2808 1 6 . 1 1 95 95 SER HA H 95 4.186 4.186 4.331 -0.145 18269 2809 1 6 . 1 1 95 95 SER CA C 95 61.472 61.472 60.375 1.097 18269 2810 1 6 . 1 1 95 95 SER CB C 95 62.568 62.568 63.321 -0.753 18269 2811 1 6 . 1 1 95 95 SER H H 95 8.894 8.894 8.676 0.218 18269 2812 1 6 . 1 1 96 96 GLN N N 96 120.800 120.800 121.227 -0.427 18269 2813 1 6 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.099 -0.237 18269 2814 1 6 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.547 -0.396 18269 2815 1 6 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.673 -0.256 18269 2816 1 6 . 1 1 96 96 GLN H H 96 8.610 8.610 8.807 -0.197 18269 2817 1 6 . 1 1 97 97 ILE N N 97 117.387 117.387 118.804 -1.417 18269 2818 1 6 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.581 -0.182 18269 2819 1 6 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.841 1.990 18269 2820 1 6 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.679 0.595 18269 2821 1 6 . 1 1 97 97 ILE H H 97 7.470 7.470 7.821 -0.351 18269 2822 1 6 . 1 1 98 98 CYS N N 98 113.485 113.485 117.217 -3.732 18269 2823 1 6 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.333 0.738 18269 2824 1 6 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.366 2.607 18269 2825 1 6 . 1 1 98 98 CYS CB C 98 48.586 48.586 26.939 21.647 18269 2826 1 6 . 1 1 98 98 CYS H H 98 7.410 7.410 7.572 -0.162 18269 2827 1 6 . 1 1 99 99 GLU N N 99 119.123 119.123 119.841 -0.718 18269 2828 1 6 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.240 0.083 18269 2829 1 6 . 1 1 99 99 GLU CA C 99 56.726 56.726 57.556 -0.830 18269 2830 1 6 . 1 1 99 99 GLU CB C 99 29.979 29.979 29.902 0.077 18269 2831 1 6 . 1 1 99 99 GLU H H 99 7.308 7.308 7.376 -0.068 18269 2832 1 6 . 1 1 100 100 LEU N N 100 115.771 115.771 114.879 0.892 18269 2833 1 6 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.679 0.618 18269 2834 1 6 . 1 1 100 100 LEU CA C 100 55.682 55.682 57.135 -1.452 18269 2835 1 6 . 1 1 100 100 LEU CB C 100 42.961 42.961 41.287 1.674 18269 2836 1 6 . 1 1 100 100 LEU H H 100 6.496 6.496 8.292 -1.796 18269 2837 1 6 . 1 1 101 101 LYS N N 101 125.672 125.672 113.582 12.090 18269 2838 1 6 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.018 0.576 18269 2839 1 6 . 1 1 101 101 LYS CA C 101 55.350 55.350 57.088 -1.738 18269 2840 1 6 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.378 4.345 18269 2841 1 6 . 1 1 101 101 LYS H H 101 8.575 8.575 7.964 0.611 18269 2842 1 6 . 1 1 102 102 TYR N N 102 120.395 120.395 121.815 -1.420 18269 2843 1 6 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.219 0.163 18269 2844 1 6 . 1 1 102 102 TYR CA C 102 60.024 60.024 61.656 -1.632 18269 2845 1 6 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.842 -0.514 18269 2846 1 6 . 1 1 102 102 TYR H H 102 8.756 8.756 9.196 -0.440 18269 2847 1 6 . 1 1 103 103 GLU N N 103 121.550 121.550 115.894 5.656 18269 2848 1 6 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.382 0.010 18269 2849 1 6 . 1 1 103 103 GLU CA C 103 56.327 56.327 56.125 0.202 18269 2850 1 6 . 1 1 103 103 GLU CB C 103 30.302 30.302 31.061 -0.759 18269 2851 1 6 . 1 1 103 103 GLU H H 103 8.835 8.835 8.288 0.547 18269 2852 1 6 . 1 1 104 104 LYS N N 104 122.957 122.957 118.782 4.175 18269 2853 1 6 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.002 0.459 18269 2854 1 6 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.014 -0.740 18269 2855 1 6 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.287 1.760 18269 2856 1 6 . 1 1 104 104 LYS H H 104 8.490 8.490 8.421 0.069 18269 2857 1 7 . 1 1 2 2 GLU N N 2 121.590 121.590 123.005 -1.415 18269 2858 1 7 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.741 -0.447 18269 2859 1 7 . 1 1 2 2 GLU CA C 2 56.517 56.517 55.228 1.289 18269 2860 1 7 . 1 1 2 2 GLU CB C 2 30.151 30.151 33.291 -3.140 18269 2861 1 7 . 1 1 2 2 GLU H H 2 8.621 8.621 8.465 0.156 18269 2862 1 7 . 1 1 3 3 ALA N N 3 125.815 125.815 119.874 5.941 18269 2863 1 7 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.628 -0.262 18269 2864 1 7 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.522 1.135 18269 2865 1 7 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.885 -1.938 18269 2866 1 7 . 1 1 3 3 ALA H H 3 8.598 8.598 8.881 -0.283 18269 2867 1 7 . 1 1 4 4 GLY N N 4 108.386 108.386 109.536 -1.150 18269 2868 1 7 . 1 1 4 4 GLY CA C 4 45.137 45.137 47.075 -1.938 18269 2869 1 7 . 1 1 4 4 GLY H H 4 8.487 8.487 9.295 -0.808 18269 2870 1 7 . 1 1 5 5 GLY N N 5 108.367 108.367 112.482 -4.115 18269 2871 1 7 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.874 -0.120 18269 2872 1 7 . 1 1 5 5 GLY H H 5 8.274 8.274 8.444 -0.170 18269 2873 1 7 . 1 1 6 6 ARG N N 6 121.577 121.577 121.495 0.082 18269 2874 1 7 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.478 0.197 18269 2875 1 7 . 1 1 6 6 ARG CA C 6 53.881 53.881 53.794 0.087 18269 2876 1 7 . 1 1 6 6 ARG CB C 6 30.135 30.135 30.492 -0.357 18269 2877 1 7 . 1 1 6 6 ARG H H 6 8.297 8.297 8.032 0.265 18269 2878 1 7 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.600 -0.109 18269 2879 1 7 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.473 0.880 18269 2880 1 7 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.253 0.794 18269 2881 1 7 . 1 1 8 8 GLY N N 8 109.658 109.658 109.217 0.441 18269 2882 1 7 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.292 -1.204 18269 2883 1 7 . 1 1 8 8 GLY H H 8 8.660 8.660 8.200 0.460 18269 2884 1 7 . 1 1 9 9 ALA N N 9 123.995 123.995 120.715 3.280 18269 2885 1 7 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.439 0.001 18269 2886 1 7 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.906 -1.109 18269 2887 1 7 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.084 0.195 18269 2888 1 7 . 1 1 9 9 ALA H H 9 8.200 8.200 7.730 0.470 18269 2889 1 7 . 1 1 10 10 ASP N N 10 119.834 119.834 117.895 1.939 18269 2890 1 7 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.644 0.013 18269 2891 1 7 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.084 -0.543 18269 2892 1 7 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.603 -1.097 18269 2893 1 7 . 1 1 10 10 ASP H H 10 8.290 8.290 8.417 -0.127 18269 2894 1 7 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.426 0.204 18269 2895 1 7 . 1 1 11 11 CYS CA C 11 54.758 54.758 60.719 -5.961 18269 2896 1 7 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.522 12.938 18269 2897 1 7 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.243 -0.279 18269 2898 1 7 . 1 1 12 12 GLU CA C 12 61.377 61.377 59.262 2.115 18269 2899 1 7 . 1 1 12 12 GLU CB C 12 31.255 31.255 30.313 0.942 18269 2900 1 7 . 1 1 13 13 VAL N N 13 117.224 117.224 119.684 -2.460 18269 2901 1 7 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.823 -0.077 18269 2902 1 7 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.549 -1.503 18269 2903 1 7 . 1 1 13 13 VAL CB C 13 31.218 31.218 30.943 0.275 18269 2904 1 7 . 1 1 13 13 VAL H H 13 7.040 7.040 7.786 -0.746 18269 2905 1 7 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.182 -0.097 18269 2906 1 7 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.459 -1.014 18269 2907 1 7 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.874 15.345 18269 2908 1 7 . 1 1 15 15 LYS HA H 15 4.059 4.059 3.995 0.064 18269 2909 1 7 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.328 -1.757 18269 2910 1 7 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.807 0.443 18269 2911 1 7 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.161 0.170 18269 2912 1 7 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.252 -0.078 18269 2913 1 7 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.302 0.104 18269 2914 1 7 . 1 1 16 16 GLU H H 16 8.098 8.098 8.078 0.020 18269 2915 1 7 . 1 1 17 17 PHE N N 17 120.745 120.745 122.454 -1.709 18269 2916 1 7 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.322 -0.007 18269 2917 1 7 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.786 0.728 18269 2918 1 7 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.132 1.381 18269 2919 1 7 . 1 1 17 17 PHE H H 17 9.126 9.126 7.952 1.174 18269 2920 1 7 . 1 1 18 18 LEU N N 18 115.787 115.787 118.584 -2.797 18269 2921 1 7 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.653 0.490 18269 2922 1 7 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.044 -0.167 18269 2923 1 7 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.316 -0.364 18269 2924 1 7 . 1 1 18 18 LEU H H 18 8.505 8.505 8.215 0.290 18269 2925 1 7 . 1 1 19 19 ASN N N 19 117.635 117.635 117.749 -0.114 18269 2926 1 7 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.362 0.514 18269 2927 1 7 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.900 -0.426 18269 2928 1 7 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.823 -0.495 18269 2929 1 7 . 1 1 19 19 ASN H H 19 8.405 8.405 8.241 0.164 18269 2930 1 7 . 1 1 20 20 ARG N N 20 122.851 122.851 119.719 3.132 18269 2931 1 7 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.001 0.116 18269 2932 1 7 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.396 0.893 18269 2933 1 7 . 1 1 20 20 ARG CB C 20 30.455 30.455 29.871 0.584 18269 2934 1 7 . 1 1 20 20 ARG H H 20 8.325 8.325 7.776 0.549 18269 2935 1 7 . 1 1 21 21 PHE N N 21 121.774 121.774 120.929 0.845 18269 2936 1 7 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.270 0.010 18269 2937 1 7 . 1 1 21 21 PHE CA C 21 59.011 59.011 61.061 -2.050 18269 2938 1 7 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.114 -0.103 18269 2939 1 7 . 1 1 21 21 PHE H H 21 8.438 8.438 7.886 0.552 18269 2940 1 7 . 1 1 22 22 TYR N N 22 119.937 119.937 120.407 -0.470 18269 2941 1 7 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.790 -0.001 18269 2942 1 7 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.122 -0.470 18269 2943 1 7 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.390 -0.116 18269 2944 1 7 . 1 1 22 22 TYR H H 22 8.708 8.708 8.414 0.294 18269 2945 1 7 . 1 1 23 23 LYS N N 23 116.431 116.431 117.443 -1.012 18269 2946 1 7 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.885 -0.026 18269 2947 1 7 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.852 0.291 18269 2948 1 7 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.511 0.706 18269 2949 1 7 . 1 1 23 23 LYS H H 23 7.928 7.928 8.210 -0.282 18269 2950 1 7 . 1 1 24 24 SER N N 24 113.888 113.888 117.944 -4.056 18269 2951 1 7 . 1 1 24 24 SER HA H 24 4.325 4.325 4.170 0.155 18269 2952 1 7 . 1 1 24 24 SER CA C 24 61.016 61.016 62.435 -1.419 18269 2953 1 7 . 1 1 24 24 SER CB C 24 62.837 62.837 62.897 -0.060 18269 2954 1 7 . 1 1 24 24 SER H H 24 7.665 7.665 8.401 -0.736 18269 2955 1 7 . 1 1 25 25 LEU N N 25 119.663 119.663 122.149 -2.486 18269 2956 1 7 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.873 -0.194 18269 2957 1 7 . 1 1 25 25 LEU CA C 25 57.505 57.505 58.033 -0.528 18269 2958 1 7 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.213 0.689 18269 2959 1 7 . 1 1 25 25 LEU H H 25 7.573 7.573 7.785 -0.212 18269 2960 1 7 . 1 1 26 26 ILE N N 26 119.781 119.781 119.709 0.072 18269 2961 1 7 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.523 0.333 18269 2962 1 7 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.911 -0.362 18269 2963 1 7 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.335 0.970 18269 2964 1 7 . 1 1 26 26 ILE H H 26 8.094 8.094 7.554 0.540 18269 2965 1 7 . 1 1 27 27 ASP N N 27 122.421 122.421 119.573 2.848 18269 2966 1 7 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.375 0.001 18269 2967 1 7 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.884 0.136 18269 2968 1 7 . 1 1 27 27 ASP CB C 27 40.080 40.080 40.650 -0.570 18269 2969 1 7 . 1 1 27 27 ASP H H 27 9.091 9.091 8.262 0.829 18269 2970 1 7 . 1 1 28 28 ARG N N 28 115.349 115.349 117.002 -1.653 18269 2971 1 7 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.338 -0.033 18269 2972 1 7 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.430 0.068 18269 2973 1 7 . 1 1 28 28 ARG CB C 28 31.613 31.613 31.075 0.538 18269 2974 1 7 . 1 1 28 28 ARG H H 28 7.587 7.587 7.710 -0.123 18269 2975 1 7 . 1 1 29 29 GLY N N 29 109.999 109.999 107.290 2.709 18269 2976 1 7 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.196 1.465 18269 2977 1 7 . 1 1 29 29 GLY H H 29 7.909 7.909 8.007 -0.098 18269 2978 1 7 . 1 1 30 30 VAL N N 30 118.740 118.740 121.280 -2.540 18269 2979 1 7 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.085 -0.326 18269 2980 1 7 . 1 1 30 30 VAL CA C 30 62.470 62.470 62.630 -0.160 18269 2981 1 7 . 1 1 30 30 VAL CB C 30 32.326 32.326 30.072 2.254 18269 2982 1 7 . 1 1 30 30 VAL H H 30 7.701 7.701 8.170 -0.469 18269 2983 1 7 . 1 1 31 31 ASN N N 31 123.250 123.250 124.182 -0.932 18269 2984 1 7 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.691 0.022 18269 2985 1 7 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.306 0.182 18269 2986 1 7 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.185 -0.974 18269 2987 1 7 . 1 1 31 31 ASN H H 31 8.498 8.498 8.190 0.308 18269 2988 1 7 . 1 1 32 32 PHE N N 32 126.076 126.076 122.837 3.239 18269 2989 1 7 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.947 -0.809 18269 2990 1 7 . 1 1 32 32 PHE CA C 32 58.647 58.647 58.001 0.646 18269 2991 1 7 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.017 -1.238 18269 2992 1 7 . 1 1 32 32 PHE H H 32 8.783 8.783 8.513 0.270 18269 2993 1 7 . 1 1 33 33 SER N N 33 115.958 115.958 118.075 -2.117 18269 2994 1 7 . 1 1 33 33 SER HA H 33 4.736 4.736 4.545 0.191 18269 2995 1 7 . 1 1 33 33 SER CA C 33 56.745 56.745 57.256 -0.511 18269 2996 1 7 . 1 1 33 33 SER CB C 33 64.899 64.899 65.531 -0.632 18269 2997 1 7 . 1 1 33 33 SER H H 33 7.699 7.699 8.543 -0.844 18269 2998 1 7 . 1 1 34 34 LEU N N 34 124.359 124.359 128.057 -3.698 18269 2999 1 7 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.005 -0.152 18269 3000 1 7 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.503 1.168 18269 3001 1 7 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.491 0.055 18269 3002 1 7 . 1 1 34 34 LEU H H 34 8.935 8.935 8.753 0.182 18269 3003 1 7 . 1 1 35 35 ASP N N 35 115.345 115.345 116.471 -1.126 18269 3004 1 7 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.423 -0.045 18269 3005 1 7 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.901 -1.043 18269 3006 1 7 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.489 -0.329 18269 3007 1 7 . 1 1 35 35 ASP H H 35 8.575 8.575 8.650 -0.075 18269 3008 1 7 . 1 1 36 36 THR N N 36 116.789 116.789 117.359 -0.570 18269 3009 1 7 . 1 1 36 36 THR HA H 36 4.015 4.015 4.123 -0.108 18269 3010 1 7 . 1 1 36 36 THR CA C 36 66.069 66.069 66.558 -0.489 18269 3011 1 7 . 1 1 36 36 THR CB C 36 68.780 68.780 69.052 -0.272 18269 3012 1 7 . 1 1 36 36 THR H H 36 7.593 7.593 7.189 0.404 18269 3013 1 7 . 1 1 37 37 ILE N N 37 120.685 120.685 120.888 -0.203 18269 3014 1 7 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.850 -0.481 18269 3015 1 7 . 1 1 37 37 ILE CA C 37 65.800 65.800 62.906 2.894 18269 3016 1 7 . 1 1 37 37 ILE CB C 37 37.091 37.091 35.831 1.260 18269 3017 1 7 . 1 1 37 37 ILE H H 37 8.436 8.436 8.703 -0.267 18269 3018 1 7 . 1 1 38 38 GLU N N 38 118.792 118.792 121.466 -2.674 18269 3019 1 7 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.915 -0.237 18269 3020 1 7 . 1 1 38 38 GLU CA C 38 61.060 61.060 60.092 0.969 18269 3021 1 7 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.488 0.383 18269 3022 1 7 . 1 1 38 38 GLU H H 38 8.122 8.122 8.057 0.065 18269 3023 1 7 . 1 1 39 39 LYS N N 39 116.986 116.986 118.834 -1.848 18269 3024 1 7 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.109 -0.148 18269 3025 1 7 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.906 0.840 18269 3026 1 7 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.103 0.207 18269 3027 1 7 . 1 1 39 39 LYS H H 39 7.586 7.586 7.724 -0.138 18269 3028 1 7 . 1 1 40 40 GLU N N 40 117.892 117.892 120.421 -2.529 18269 3029 1 7 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.304 -0.099 18269 3030 1 7 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.854 -0.495 18269 3031 1 7 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.454 -0.875 18269 3032 1 7 . 1 1 40 40 GLU H H 40 8.690 8.690 8.488 0.202 18269 3033 1 7 . 1 1 41 41 LEU N N 41 125.830 125.830 121.605 4.225 18269 3034 1 7 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.975 -0.428 18269 3035 1 7 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.487 -0.659 18269 3036 1 7 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.806 -1.468 18269 3037 1 7 . 1 1 41 41 LEU H H 41 8.978 8.978 8.526 0.452 18269 3038 1 7 . 1 1 42 42 ILE N N 42 119.900 119.900 119.987 -0.087 18269 3039 1 7 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.952 -0.368 18269 3040 1 7 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.302 0.530 18269 3041 1 7 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.930 -0.140 18269 3042 1 7 . 1 1 42 42 ILE H H 42 7.884 7.884 7.894 -0.010 18269 3043 1 7 . 1 1 43 43 SER N N 43 114.071 114.071 115.956 -1.885 18269 3044 1 7 . 1 1 43 43 SER HA H 43 4.277 4.277 4.215 0.062 18269 3045 1 7 . 1 1 43 43 SER CA C 43 61.598 61.598 62.415 -0.817 18269 3046 1 7 . 1 1 43 43 SER CB C 43 62.767 62.767 63.130 -0.363 18269 3047 1 7 . 1 1 43 43 SER H H 43 7.791 7.791 8.334 -0.543 18269 3048 1 7 . 1 1 44 44 PHE N N 44 125.036 125.036 122.868 2.168 18269 3049 1 7 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.384 -0.055 18269 3050 1 7 . 1 1 44 44 PHE CA C 44 61.257 61.257 62.017 -0.760 18269 3051 1 7 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.628 1.003 18269 3052 1 7 . 1 1 44 44 PHE H H 44 9.060 9.060 8.757 0.303 18269 3053 1 7 . 1 1 45 45 CYS N N 45 112.824 112.824 118.843 -6.019 18269 3054 1 7 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.389 0.217 18269 3055 1 7 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.702 -3.466 18269 3056 1 7 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.090 16.533 18269 3057 1 7 . 1 1 45 45 CYS H H 45 8.254 8.254 8.946 -0.692 18269 3058 1 7 . 1 1 46 46 LEU N N 46 123.875 123.875 119.300 4.575 18269 3059 1 7 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.265 -0.090 18269 3060 1 7 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.860 1.291 18269 3061 1 7 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.230 1.022 18269 3062 1 7 . 1 1 46 46 LEU H H 46 7.776 7.776 7.939 -0.163 18269 3063 1 7 . 1 1 47 47 ASP N N 47 116.880 116.880 118.219 -1.339 18269 3064 1 7 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.518 0.392 18269 3065 1 7 . 1 1 47 47 ASP CA C 47 53.585 53.585 56.189 -2.604 18269 3066 1 7 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.758 -1.383 18269 3067 1 7 . 1 1 47 47 ASP H H 47 7.852 7.852 8.077 -0.225 18269 3068 1 7 . 1 1 48 48 THR N N 48 108.053 108.053 114.332 -6.279 18269 3069 1 7 . 1 1 48 48 THR HA H 48 4.461 4.461 4.161 0.300 18269 3070 1 7 . 1 1 48 48 THR CA C 48 60.844 60.844 62.682 -1.838 18269 3071 1 7 . 1 1 48 48 THR CB C 48 73.395 73.395 69.752 3.643 18269 3072 1 7 . 1 1 48 48 THR H H 48 7.139 7.139 7.586 -0.447 18269 3073 1 7 . 1 1 49 49 LYS N N 49 118.308 118.308 119.351 -1.043 18269 3074 1 7 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.479 0.239 18269 3075 1 7 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.285 -1.241 18269 3076 1 7 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.795 2.775 18269 3077 1 7 . 1 1 49 49 LYS H H 49 8.755 8.755 9.177 -0.422 18269 3078 1 7 . 1 1 50 50 GLY N N 50 108.996 108.996 110.176 -1.180 18269 3079 1 7 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.662 -0.819 18269 3080 1 7 . 1 1 50 50 GLY H H 50 8.866 8.866 8.665 0.201 18269 3081 1 7 . 1 1 51 51 LYS N N 51 126.155 126.155 121.747 4.408 18269 3082 1 7 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.074 -0.104 18269 3083 1 7 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.130 -1.020 18269 3084 1 7 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.108 0.511 18269 3085 1 7 . 1 1 51 51 LYS H H 51 9.254 9.254 8.639 0.615 18269 3086 1 7 . 1 1 52 52 GLU N N 52 116.496 116.496 119.229 -2.733 18269 3087 1 7 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.132 -0.609 18269 3088 1 7 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.159 0.231 18269 3089 1 7 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.658 -0.972 18269 3090 1 7 . 1 1 52 52 GLU H H 52 8.223 8.223 8.086 0.137 18269 3091 1 7 . 1 1 53 53 ASN N N 53 119.000 119.000 119.725 -0.725 18269 3092 1 7 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.717 -0.333 18269 3093 1 7 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.784 1.194 18269 3094 1 7 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.635 0.811 18269 3095 1 7 . 1 1 53 53 ASN H H 53 6.840 6.840 8.818 -1.978 18269 3096 1 7 . 1 1 54 54 ARG N N 54 118.480 118.480 120.341 -1.861 18269 3097 1 7 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.101 -0.332 18269 3098 1 7 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.199 -0.802 18269 3099 1 7 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.801 -1.061 18269 3100 1 7 . 1 1 54 54 ARG H H 54 7.456 7.456 8.231 -0.775 18269 3101 1 7 . 1 1 55 55 LEU N N 55 118.688 118.688 120.845 -2.157 18269 3102 1 7 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.182 -0.374 18269 3103 1 7 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.509 -0.050 18269 3104 1 7 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.739 -1.619 18269 3105 1 7 . 1 1 55 55 LEU H H 55 7.843 7.843 7.873 -0.030 18269 3106 1 7 . 1 1 56 56 CYS N N 56 115.905 115.905 115.837 0.068 18269 3107 1 7 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.982 -0.109 18269 3108 1 7 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.614 1.423 18269 3109 1 7 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.482 17.423 18269 3110 1 7 . 1 1 56 56 CYS H H 56 7.752 7.752 7.727 0.025 18269 3111 1 7 . 1 1 57 57 TYR N N 57 121.810 121.810 119.464 2.346 18269 3112 1 7 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.182 -0.039 18269 3113 1 7 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.303 0.012 18269 3114 1 7 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.898 -0.844 18269 3115 1 7 . 1 1 57 57 TYR H H 57 7.911 7.911 7.480 0.431 18269 3116 1 7 . 1 1 58 58 TYR N N 58 121.916 121.916 117.019 4.897 18269 3117 1 7 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.311 0.064 18269 3118 1 7 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.569 -1.560 18269 3119 1 7 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.618 -0.594 18269 3120 1 7 . 1 1 58 58 TYR H H 58 8.334 8.334 7.471 0.863 18269 3121 1 7 . 1 1 59 59 LEU N N 59 114.461 114.461 116.083 -1.622 18269 3122 1 7 . 1 1 59 59 LEU HA H 59 4.120 4.120 3.957 0.163 18269 3123 1 7 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.900 -0.671 18269 3124 1 7 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.974 0.071 18269 3125 1 7 . 1 1 59 59 LEU H H 59 8.079 8.079 7.917 0.162 18269 3126 1 7 . 1 1 60 60 GLY N N 60 102.559 102.559 103.562 -1.003 18269 3127 1 7 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.440 0.132 18269 3128 1 7 . 1 1 60 60 GLY H H 60 7.562 7.562 7.981 -0.419 18269 3129 1 7 . 1 1 61 61 ALA N N 61 120.327 120.327 121.998 -1.671 18269 3130 1 7 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.586 -0.185 18269 3131 1 7 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.331 -0.066 18269 3132 1 7 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.927 1.410 18269 3133 1 7 . 1 1 61 61 ALA H H 61 7.995 7.995 7.775 0.220 18269 3134 1 7 . 1 1 62 62 THR N N 62 106.895 106.895 110.745 -3.850 18269 3135 1 7 . 1 1 62 62 THR HA H 62 4.518 4.518 4.429 0.089 18269 3136 1 7 . 1 1 62 62 THR CA C 62 59.982 59.982 59.642 0.340 18269 3137 1 7 . 1 1 62 62 THR CB C 62 70.540 70.540 71.012 -0.472 18269 3138 1 7 . 1 1 62 62 THR H H 62 7.156 7.156 7.178 -0.022 18269 3139 1 7 . 1 1 63 63 LYS N N 63 121.251 121.251 120.827 0.424 18269 3140 1 7 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.140 -0.043 18269 3141 1 7 . 1 1 63 63 LYS CA C 63 58.272 58.272 58.053 0.219 18269 3142 1 7 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.362 -0.207 18269 3143 1 7 . 1 1 63 63 LYS H H 63 8.626 8.626 8.680 -0.054 18269 3144 1 7 . 1 1 64 64 ASP N N 64 116.607 116.607 115.778 0.829 18269 3145 1 7 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.641 -0.084 18269 3146 1 7 . 1 1 64 64 ASP CA C 64 53.902 53.902 53.301 0.601 18269 3147 1 7 . 1 1 64 64 ASP CB C 64 40.106 40.106 40.814 -0.708 18269 3148 1 7 . 1 1 64 64 ASP H H 64 8.441 8.441 7.825 0.616 18269 3149 1 7 . 1 1 65 65 ALA N N 65 122.486 122.486 123.088 -0.602 18269 3150 1 7 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.418 -0.333 18269 3151 1 7 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.764 1.786 18269 3152 1 7 . 1 1 65 65 ALA CB C 65 19.557 19.557 21.393 -1.836 18269 3153 1 7 . 1 1 65 65 ALA H H 65 7.368 7.368 7.308 0.060 18269 3154 1 7 . 1 1 66 66 ALA N N 66 124.171 124.171 121.392 2.779 18269 3155 1 7 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.408 0.036 18269 3156 1 7 . 1 1 66 66 ALA CA C 66 52.471 52.471 51.968 0.503 18269 3157 1 7 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.869 0.397 18269 3158 1 7 . 1 1 66 66 ALA H H 66 8.300 8.300 8.499 -0.199 18269 3159 1 7 . 1 1 67 67 THR N N 67 111.638 111.638 119.090 -7.452 18269 3160 1 7 . 1 1 67 67 THR HA H 67 4.496 4.496 4.104 0.392 18269 3161 1 7 . 1 1 67 67 THR CA C 67 60.881 60.881 64.284 -3.403 18269 3162 1 7 . 1 1 67 67 THR CB C 67 70.199 70.199 68.992 1.207 18269 3163 1 7 . 1 1 67 67 THR H H 67 7.730 7.730 8.729 -0.999 18269 3164 1 7 . 1 1 68 68 LYS N N 68 121.732 121.732 122.969 -1.237 18269 3165 1 7 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.062 0.474 18269 3166 1 7 . 1 1 68 68 LYS CA C 68 56.562 56.562 60.030 -3.468 18269 3167 1 7 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.107 0.992 18269 3168 1 7 . 1 1 68 68 LYS H H 68 8.502 8.502 8.238 0.264 18269 3169 1 7 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.886 0.453 18269 3170 1 7 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.107 -1.401 18269 3171 1 7 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.873 -0.073 18269 3172 1 7 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.871 0.260 18269 3173 1 7 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.057 0.559 18269 3174 1 7 . 1 1 70 70 LEU CB C 70 41.738 41.738 42.075 -0.337 18269 3175 1 7 . 1 1 71 71 SER HA H 71 4.817 4.817 4.267 0.550 18269 3176 1 7 . 1 1 71 71 SER CA C 71 60.667 60.667 61.207 -0.540 18269 3177 1 7 . 1 1 71 71 SER CB C 71 62.646 62.646 62.860 -0.214 18269 3178 1 7 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.168 0.096 18269 3179 1 7 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.606 -1.977 18269 3180 1 7 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.388 -1.141 18269 3181 1 7 . 1 1 73 73 VAL N N 73 114.786 114.786 118.420 -3.634 18269 3182 1 7 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.955 0.147 18269 3183 1 7 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.489 -1.748 18269 3184 1 7 . 1 1 73 73 VAL CB C 73 33.265 33.265 31.963 1.302 18269 3185 1 7 . 1 1 73 73 VAL H H 73 7.812 7.812 7.511 0.301 18269 3186 1 7 . 1 1 74 74 THR HA H 74 3.767 3.767 3.959 -0.192 18269 3187 1 7 . 1 1 74 74 THR CA C 74 65.584 65.584 66.367 -0.783 18269 3188 1 7 . 1 1 74 74 THR CB C 74 67.470 67.470 68.698 -1.228 18269 3189 1 7 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.130 0.116 18269 3190 1 7 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.934 0.449 18269 3191 1 7 . 1 1 75 75 ARG CB C 75 28.620 28.620 28.362 0.258 18269 3192 1 7 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.377 0.108 18269 3193 1 7 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.043 0.654 18269 3194 1 7 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.715 -0.820 18269 3195 1 7 . 1 1 77 77 MET N N 77 117.583 117.583 116.103 1.480 18269 3196 1 7 . 1 1 77 77 MET HA H 77 4.684 4.684 4.383 0.301 18269 3197 1 7 . 1 1 77 77 MET CA C 77 59.347 59.347 56.763 2.584 18269 3198 1 7 . 1 1 77 77 MET CB C 77 32.996 32.996 31.392 1.604 18269 3199 1 7 . 1 1 77 77 MET H H 77 7.685 7.685 8.589 -0.904 18269 3200 1 7 . 1 1 78 78 SER N N 78 114.578 114.578 114.210 0.368 18269 3201 1 7 . 1 1 78 78 SER HA H 78 4.226 4.226 4.505 -0.279 18269 3202 1 7 . 1 1 78 78 SER CA C 78 61.922 61.922 60.112 1.810 18269 3203 1 7 . 1 1 78 78 SER CB C 78 62.406 62.406 63.441 -1.035 18269 3204 1 7 . 1 1 78 78 SER H H 78 8.285 8.285 7.842 0.443 18269 3205 1 7 . 1 1 79 79 VAL N N 79 111.248 111.248 112.968 -1.720 18269 3206 1 7 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.740 0.011 18269 3207 1 7 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.158 0.968 18269 3208 1 7 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.791 -4.445 18269 3209 1 7 . 1 1 79 79 VAL H H 79 7.004 7.004 7.591 -0.587 18269 3210 1 7 . 1 1 80 80 HIS N N 80 116.703 116.703 120.794 -4.091 18269 3211 1 7 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.460 -0.344 18269 3212 1 7 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.111 -0.285 18269 3213 1 7 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.413 -3.525 18269 3214 1 7 . 1 1 80 80 HIS H H 80 8.289 8.289 8.725 -0.436 18269 3215 1 7 . 1 1 81 81 MET N N 81 120.978 120.978 126.349 -5.371 18269 3216 1 7 . 1 1 81 81 MET HA H 81 4.512 4.512 4.920 -0.408 18269 3217 1 7 . 1 1 81 81 MET CA C 81 55.007 55.007 52.089 2.918 18269 3218 1 7 . 1 1 81 81 MET CB C 81 33.265 33.265 33.697 -0.432 18269 3219 1 7 . 1 1 81 81 MET H H 81 8.006 8.006 8.182 -0.176 18269 3220 1 7 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.133 0.208 18269 3221 1 7 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.606 -1.371 18269 3222 1 7 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.604 2.059 18269 3223 1 7 . 1 1 83 83 ALA N N 83 126.545 126.545 120.034 6.511 18269 3224 1 7 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.854 0.092 18269 3225 1 7 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.890 1.083 18269 3226 1 7 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.111 1.364 18269 3227 1 7 . 1 1 83 83 ALA H H 83 9.196 9.196 7.975 1.221 18269 3228 1 7 . 1 1 84 84 MET N N 84 114.734 114.734 117.362 -2.628 18269 3229 1 7 . 1 1 84 84 MET HA H 84 4.024 4.024 4.239 -0.215 18269 3230 1 7 . 1 1 84 84 MET CA C 84 58.812 58.812 58.689 0.123 18269 3231 1 7 . 1 1 84 84 MET CB C 84 32.242 32.242 32.170 0.072 18269 3232 1 7 . 1 1 84 84 MET H H 84 9.289 9.289 7.849 1.440 18269 3233 1 7 . 1 1 85 85 LYS N N 85 116.490 116.490 118.566 -2.076 18269 3234 1 7 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.093 0.081 18269 3235 1 7 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.856 -0.740 18269 3236 1 7 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.275 -0.482 18269 3237 1 7 . 1 1 85 85 LYS H H 85 6.997 6.997 8.367 -1.370 18269 3238 1 7 . 1 1 86 86 ILE N N 86 120.561 120.561 120.916 -0.355 18269 3239 1 7 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.633 -0.018 18269 3240 1 7 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.035 1.243 18269 3241 1 7 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.743 -0.223 18269 3242 1 7 . 1 1 86 86 ILE H H 86 7.875 7.875 7.378 0.497 18269 3243 1 7 . 1 1 87 87 CYS N N 87 117.323 117.323 118.804 -1.481 18269 3244 1 7 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.065 0.011 18269 3245 1 7 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.497 -1.437 18269 3246 1 7 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.813 16.920 18269 3247 1 7 . 1 1 87 87 CYS H H 87 8.643 8.643 7.844 0.799 18269 3248 1 7 . 1 1 88 88 GLU N N 88 118.070 118.070 119.211 -1.141 18269 3249 1 7 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.122 -0.174 18269 3250 1 7 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.743 1.020 18269 3251 1 7 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.229 0.535 18269 3252 1 7 . 1 1 88 88 GLU H H 88 8.045 8.045 7.767 0.278 18269 3253 1 7 . 1 1 89 89 LYS N N 89 119.719 119.719 120.806 -1.087 18269 3254 1 7 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.126 0.012 18269 3255 1 7 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.896 0.234 18269 3256 1 7 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.473 -0.770 18269 3257 1 7 . 1 1 89 89 LYS H H 89 7.530 7.530 8.297 -0.767 18269 3258 1 7 . 1 1 90 90 LEU N N 90 119.550 119.550 119.425 0.125 18269 3259 1 7 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.117 -0.152 18269 3260 1 7 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.633 0.710 18269 3261 1 7 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.558 -0.567 18269 3262 1 7 . 1 1 90 90 LEU H H 90 8.422 8.422 8.275 0.147 18269 3263 1 7 . 1 1 91 91 LYS N N 91 119.180 119.180 117.989 1.191 18269 3264 1 7 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.280 -0.418 18269 3265 1 7 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.060 0.545 18269 3266 1 7 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.171 0.306 18269 3267 1 7 . 1 1 91 91 LYS H H 91 8.218 8.218 7.433 0.785 18269 3268 1 7 . 1 1 92 92 LYS N N 92 113.632 113.632 119.323 -5.691 18269 3269 1 7 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.088 -0.035 18269 3270 1 7 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.466 -0.908 18269 3271 1 7 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.494 -0.560 18269 3272 1 7 . 1 1 92 92 LYS H H 92 6.984 6.984 7.369 -0.385 18269 3273 1 7 . 1 1 93 93 LEU N N 93 119.104 119.104 119.097 0.007 18269 3274 1 7 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.228 0.062 18269 3275 1 7 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.723 -0.619 18269 3276 1 7 . 1 1 93 93 LEU CB C 93 42.102 42.102 42.940 -0.838 18269 3277 1 7 . 1 1 93 93 LEU H H 93 7.456 7.456 7.503 -0.047 18269 3278 1 7 . 1 1 94 94 ASP N N 94 116.790 116.790 114.342 2.448 18269 3279 1 7 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.789 -0.233 18269 3280 1 7 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.908 0.458 18269 3281 1 7 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.637 -1.464 18269 3282 1 7 . 1 1 94 94 ASP H H 94 7.911 7.911 7.773 0.138 18269 3283 1 7 . 1 1 95 95 SER N N 95 122.399 122.399 119.409 2.990 18269 3284 1 7 . 1 1 95 95 SER HA H 95 4.186 4.186 4.245 -0.059 18269 3285 1 7 . 1 1 95 95 SER CA C 95 61.472 61.472 60.552 0.920 18269 3286 1 7 . 1 1 95 95 SER CB C 95 62.568 62.568 63.654 -1.086 18269 3287 1 7 . 1 1 95 95 SER H H 95 8.894 8.894 8.670 0.224 18269 3288 1 7 . 1 1 96 96 GLN N N 96 120.800 120.800 120.805 -0.005 18269 3289 1 7 . 1 1 96 96 GLN HA H 96 3.862 3.862 3.992 -0.130 18269 3290 1 7 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.609 0.542 18269 3291 1 7 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.377 0.040 18269 3292 1 7 . 1 1 96 96 GLN H H 96 8.610 8.610 7.999 0.611 18269 3293 1 7 . 1 1 97 97 ILE N N 97 117.387 117.387 116.354 1.033 18269 3294 1 7 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.656 -0.257 18269 3295 1 7 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.111 2.720 18269 3296 1 7 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.175 0.099 18269 3297 1 7 . 1 1 97 97 ILE H H 97 7.470 7.470 7.759 -0.289 18269 3298 1 7 . 1 1 98 98 CYS N N 98 113.485 113.485 113.399 0.086 18269 3299 1 7 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.704 0.367 18269 3300 1 7 . 1 1 98 98 CYS CA C 98 61.973 61.973 57.954 4.019 18269 3301 1 7 . 1 1 98 98 CYS CB C 98 48.586 48.586 28.535 20.051 18269 3302 1 7 . 1 1 98 98 CYS H H 98 7.410 7.410 7.474 -0.064 18269 3303 1 7 . 1 1 99 99 GLU N N 99 119.123 119.123 122.051 -2.928 18269 3304 1 7 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.117 0.206 18269 3305 1 7 . 1 1 99 99 GLU CA C 99 56.726 56.726 58.884 -2.158 18269 3306 1 7 . 1 1 99 99 GLU CB C 99 29.979 29.979 29.982 -0.003 18269 3307 1 7 . 1 1 99 99 GLU H H 99 7.308 7.308 7.550 -0.242 18269 3308 1 7 . 1 1 100 100 LEU N N 100 115.771 115.771 115.438 0.333 18269 3309 1 7 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.782 0.515 18269 3310 1 7 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.680 -0.998 18269 3311 1 7 . 1 1 100 100 LEU CB C 100 42.961 42.961 41.410 1.551 18269 3312 1 7 . 1 1 100 100 LEU H H 100 6.496 6.496 8.290 -1.794 18269 3313 1 7 . 1 1 101 101 LYS N N 101 125.672 125.672 113.828 11.844 18269 3314 1 7 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.159 0.435 18269 3315 1 7 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.714 -1.364 18269 3316 1 7 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.125 4.598 18269 3317 1 7 . 1 1 101 101 LYS H H 101 8.575 8.575 8.049 0.526 18269 3318 1 7 . 1 1 102 102 TYR N N 102 120.395 120.395 123.719 -3.324 18269 3319 1 7 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.305 0.077 18269 3320 1 7 . 1 1 102 102 TYR CA C 102 60.024 60.024 58.847 1.177 18269 3321 1 7 . 1 1 102 102 TYR CB C 102 38.328 38.328 39.089 -0.761 18269 3322 1 7 . 1 1 102 102 TYR H H 102 8.756 8.756 9.188 -0.432 18269 3323 1 7 . 1 1 103 103 GLU N N 103 121.550 121.550 123.746 -2.196 18269 3324 1 7 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.160 0.232 18269 3325 1 7 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.369 -1.042 18269 3326 1 7 . 1 1 103 103 GLU CB C 103 30.302 30.302 28.936 1.366 18269 3327 1 7 . 1 1 103 103 GLU H H 103 8.835 8.835 8.854 -0.019 18269 3328 1 7 . 1 1 104 104 LYS N N 104 122.957 122.957 125.113 -2.156 18269 3329 1 7 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.473 -0.012 18269 3330 1 7 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.208 -0.934 18269 3331 1 7 . 1 1 104 104 LYS CB C 104 33.047 33.047 33.129 -0.082 18269 3332 1 7 . 1 1 104 104 LYS H H 104 8.490 8.490 8.716 -0.226 18269 3333 1 8 . 1 1 2 2 GLU N N 2 121.590 121.590 120.452 1.138 18269 3334 1 8 . 1 1 2 2 GLU HA H 2 4.294 4.294 3.841 0.453 18269 3335 1 8 . 1 1 2 2 GLU CA C 2 56.517 56.517 59.023 -2.506 18269 3336 1 8 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.219 0.932 18269 3337 1 8 . 1 1 2 2 GLU H H 2 8.621 8.621 9.442 -0.821 18269 3338 1 8 . 1 1 3 3 ALA N N 3 125.815 125.815 122.715 3.100 18269 3339 1 8 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.294 0.072 18269 3340 1 8 . 1 1 3 3 ALA CA C 3 52.657 52.657 53.058 -0.401 18269 3341 1 8 . 1 1 3 3 ALA CB C 3 18.947 18.947 18.999 -0.052 18269 3342 1 8 . 1 1 3 3 ALA H H 3 8.598 8.598 8.019 0.579 18269 3343 1 8 . 1 1 4 4 GLY N N 4 108.386 108.386 107.889 0.497 18269 3344 1 8 . 1 1 4 4 GLY CA C 4 45.137 45.137 44.354 0.783 18269 3345 1 8 . 1 1 4 4 GLY H H 4 8.487 8.487 8.331 0.156 18269 3346 1 8 . 1 1 5 5 GLY N N 5 108.367 108.367 107.849 0.518 18269 3347 1 8 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.842 -0.088 18269 3348 1 8 . 1 1 5 5 GLY H H 5 8.274 8.274 8.077 0.197 18269 3349 1 8 . 1 1 6 6 ARG N N 6 121.577 121.577 115.184 6.393 18269 3350 1 8 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.170 0.505 18269 3351 1 8 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.489 -1.608 18269 3352 1 8 . 1 1 6 6 ARG CB C 6 30.135 30.135 27.904 2.232 18269 3353 1 8 . 1 1 6 6 ARG H H 6 8.297 8.297 7.873 0.424 18269 3354 1 8 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.716 -0.225 18269 3355 1 8 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.138 1.215 18269 3356 1 8 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.000 1.047 18269 3357 1 8 . 1 1 8 8 GLY N N 8 109.658 109.658 108.120 1.538 18269 3358 1 8 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.994 -0.906 18269 3359 1 8 . 1 1 8 8 GLY H H 8 8.660 8.660 8.092 0.568 18269 3360 1 8 . 1 1 9 9 ALA N N 9 123.995 123.995 120.608 3.387 18269 3361 1 8 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.453 -0.013 18269 3362 1 8 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.228 -0.431 18269 3363 1 8 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.116 0.163 18269 3364 1 8 . 1 1 9 9 ALA H H 9 8.200 8.200 7.335 0.865 18269 3365 1 8 . 1 1 10 10 ASP N N 10 119.834 119.834 119.527 0.307 18269 3366 1 8 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.700 -0.043 18269 3367 1 8 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.461 0.079 18269 3368 1 8 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.399 -0.893 18269 3369 1 8 . 1 1 10 10 ASP H H 10 8.290 8.290 8.529 -0.239 18269 3370 1 8 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.369 0.261 18269 3371 1 8 . 1 1 11 11 CYS CA C 11 54.758 54.758 58.996 -4.238 18269 3372 1 8 . 1 1 11 11 CYS CB C 11 40.460 40.460 25.109 15.351 18269 3373 1 8 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.960 0.004 18269 3374 1 8 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.156 1.221 18269 3375 1 8 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.466 1.789 18269 3376 1 8 . 1 1 13 13 VAL N N 13 117.224 117.224 118.421 -1.197 18269 3377 1 8 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.584 0.162 18269 3378 1 8 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.942 -1.896 18269 3379 1 8 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.229 -0.011 18269 3380 1 8 . 1 1 13 13 VAL H H 13 7.040 7.040 8.178 -1.138 18269 3381 1 8 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.141 -0.056 18269 3382 1 8 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.732 -0.287 18269 3383 1 8 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.543 15.676 18269 3384 1 8 . 1 1 15 15 LYS HA H 15 4.059 4.059 3.861 0.198 18269 3385 1 8 . 1 1 15 15 LYS CA C 15 57.571 57.571 60.168 -2.597 18269 3386 1 8 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.028 0.222 18269 3387 1 8 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.095 0.236 18269 3388 1 8 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.373 -0.199 18269 3389 1 8 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.350 0.056 18269 3390 1 8 . 1 1 16 16 GLU H H 16 8.098 8.098 8.183 -0.085 18269 3391 1 8 . 1 1 17 17 PHE N N 17 120.745 120.745 121.255 -0.510 18269 3392 1 8 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.273 0.042 18269 3393 1 8 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.884 0.630 18269 3394 1 8 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.203 1.310 18269 3395 1 8 . 1 1 17 17 PHE H H 17 9.126 9.126 7.971 1.155 18269 3396 1 8 . 1 1 18 18 LEU N N 18 115.787 115.787 119.482 -3.695 18269 3397 1 8 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.857 0.286 18269 3398 1 8 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.545 -0.668 18269 3399 1 8 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.415 -0.463 18269 3400 1 8 . 1 1 18 18 LEU H H 18 8.505 8.505 8.873 -0.368 18269 3401 1 8 . 1 1 19 19 ASN N N 19 117.635 117.635 116.545 1.090 18269 3402 1 8 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.421 0.455 18269 3403 1 8 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.300 0.174 18269 3404 1 8 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.531 -0.203 18269 3405 1 8 . 1 1 19 19 ASN H H 19 8.405 8.405 8.194 0.211 18269 3406 1 8 . 1 1 20 20 ARG N N 20 122.851 122.851 119.174 3.677 18269 3407 1 8 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.073 0.044 18269 3408 1 8 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.765 0.524 18269 3409 1 8 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.139 0.316 18269 3410 1 8 . 1 1 20 20 ARG H H 20 8.325 8.325 7.881 0.444 18269 3411 1 8 . 1 1 21 21 PHE N N 21 121.774 121.774 121.691 0.083 18269 3412 1 8 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.293 -0.013 18269 3413 1 8 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.348 -1.337 18269 3414 1 8 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.204 -0.193 18269 3415 1 8 . 1 1 21 21 PHE H H 21 8.438 8.438 7.885 0.553 18269 3416 1 8 . 1 1 22 22 TYR N N 22 119.937 119.937 121.478 -1.541 18269 3417 1 8 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.816 -0.027 18269 3418 1 8 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.991 -0.339 18269 3419 1 8 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.535 -0.261 18269 3420 1 8 . 1 1 22 22 TYR H H 22 8.708 8.708 8.849 -0.141 18269 3421 1 8 . 1 1 23 23 LYS N N 23 116.431 116.431 116.462 -0.031 18269 3422 1 8 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.063 -0.204 18269 3423 1 8 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.523 0.620 18269 3424 1 8 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.569 0.648 18269 3425 1 8 . 1 1 23 23 LYS H H 23 7.928 7.928 8.312 -0.384 18269 3426 1 8 . 1 1 24 24 SER N N 24 113.888 113.888 117.866 -3.978 18269 3427 1 8 . 1 1 24 24 SER HA H 24 4.325 4.325 4.411 -0.086 18269 3428 1 8 . 1 1 24 24 SER CA C 24 61.016 61.016 62.203 -1.187 18269 3429 1 8 . 1 1 24 24 SER CB C 24 62.837 62.837 62.989 -0.152 18269 3430 1 8 . 1 1 24 24 SER H H 24 7.665 7.665 7.822 -0.157 18269 3431 1 8 . 1 1 25 25 LEU N N 25 119.663 119.663 121.686 -2.023 18269 3432 1 8 . 1 1 25 25 LEU HA H 25 3.679 3.679 4.058 -0.379 18269 3433 1 8 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.297 0.208 18269 3434 1 8 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.506 0.396 18269 3435 1 8 . 1 1 25 25 LEU H H 25 7.573 7.573 7.953 -0.380 18269 3436 1 8 . 1 1 26 26 ILE N N 26 119.781 119.781 118.401 1.380 18269 3437 1 8 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.711 0.145 18269 3438 1 8 . 1 1 26 26 ILE CA C 26 63.549 63.549 62.941 0.608 18269 3439 1 8 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.842 0.463 18269 3440 1 8 . 1 1 26 26 ILE H H 26 8.094 8.094 7.046 1.048 18269 3441 1 8 . 1 1 27 27 ASP N N 27 122.421 122.421 119.563 2.858 18269 3442 1 8 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.363 0.013 18269 3443 1 8 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.563 0.457 18269 3444 1 8 . 1 1 27 27 ASP CB C 27 40.080 40.080 40.793 -0.713 18269 3445 1 8 . 1 1 27 27 ASP H H 27 9.091 9.091 8.308 0.783 18269 3446 1 8 . 1 1 28 28 ARG N N 28 115.349 115.349 116.840 -1.491 18269 3447 1 8 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.212 0.093 18269 3448 1 8 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.402 0.096 18269 3449 1 8 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.998 0.615 18269 3450 1 8 . 1 1 28 28 ARG H H 28 7.587 7.587 8.141 -0.554 18269 3451 1 8 . 1 1 29 29 GLY N N 29 109.999 109.999 107.542 2.457 18269 3452 1 8 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.842 0.819 18269 3453 1 8 . 1 1 29 29 GLY H H 29 7.909 7.909 7.754 0.155 18269 3454 1 8 . 1 1 30 30 VAL N N 30 118.740 118.740 114.053 4.687 18269 3455 1 8 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.247 -0.488 18269 3456 1 8 . 1 1 30 30 VAL CA C 30 62.470 62.470 62.035 0.435 18269 3457 1 8 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.078 0.248 18269 3458 1 8 . 1 1 30 30 VAL H H 30 7.701 7.701 7.374 0.327 18269 3459 1 8 . 1 1 31 31 ASN N N 31 123.250 123.250 118.594 4.656 18269 3460 1 8 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.559 0.154 18269 3461 1 8 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.500 -0.012 18269 3462 1 8 . 1 1 31 31 ASN CB C 31 39.211 39.211 38.448 0.763 18269 3463 1 8 . 1 1 31 31 ASN H H 31 8.498 8.498 7.990 0.508 18269 3464 1 8 . 1 1 32 32 PHE N N 32 126.076 126.076 118.340 7.736 18269 3465 1 8 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.841 -0.703 18269 3466 1 8 . 1 1 32 32 PHE CA C 32 58.647 58.647 57.337 1.310 18269 3467 1 8 . 1 1 32 32 PHE CB C 32 36.779 36.779 39.762 -2.983 18269 3468 1 8 . 1 1 32 32 PHE H H 32 8.783 8.783 8.061 0.722 18269 3469 1 8 . 1 1 33 33 SER N N 33 115.958 115.958 116.925 -0.967 18269 3470 1 8 . 1 1 33 33 SER HA H 33 4.736 4.736 4.757 -0.021 18269 3471 1 8 . 1 1 33 33 SER CA C 33 56.745 56.745 56.636 0.109 18269 3472 1 8 . 1 1 33 33 SER CB C 33 64.899 64.899 64.729 0.170 18269 3473 1 8 . 1 1 33 33 SER H H 33 7.699 7.699 7.502 0.197 18269 3474 1 8 . 1 1 34 34 LEU N N 34 124.359 124.359 127.044 -2.685 18269 3475 1 8 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.023 -0.170 18269 3476 1 8 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.088 1.583 18269 3477 1 8 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.541 0.005 18269 3478 1 8 . 1 1 34 34 LEU H H 34 8.935 8.935 8.919 0.016 18269 3479 1 8 . 1 1 35 35 ASP N N 35 115.345 115.345 116.698 -1.353 18269 3480 1 8 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.422 -0.044 18269 3481 1 8 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.252 -0.394 18269 3482 1 8 . 1 1 35 35 ASP CB C 35 40.160 40.160 39.733 0.426 18269 3483 1 8 . 1 1 35 35 ASP H H 35 8.575 8.575 8.646 -0.071 18269 3484 1 8 . 1 1 36 36 THR N N 36 116.789 116.789 116.489 0.300 18269 3485 1 8 . 1 1 36 36 THR HA H 36 4.015 4.015 4.259 -0.244 18269 3486 1 8 . 1 1 36 36 THR CA C 36 66.069 66.069 66.191 -0.122 18269 3487 1 8 . 1 1 36 36 THR CB C 36 68.780 68.780 68.771 0.009 18269 3488 1 8 . 1 1 36 36 THR H H 36 7.593 7.593 7.159 0.434 18269 3489 1 8 . 1 1 37 37 ILE N N 37 120.685 120.685 121.753 -1.068 18269 3490 1 8 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.737 -0.368 18269 3491 1 8 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.800 0.000 18269 3492 1 8 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.299 -0.208 18269 3493 1 8 . 1 1 37 37 ILE H H 37 8.436 8.436 8.726 -0.290 18269 3494 1 8 . 1 1 38 38 GLU N N 38 118.792 118.792 120.892 -2.100 18269 3495 1 8 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.923 -0.245 18269 3496 1 8 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.925 1.135 18269 3497 1 8 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.553 0.318 18269 3498 1 8 . 1 1 38 38 GLU H H 38 8.122 8.122 8.203 -0.081 18269 3499 1 8 . 1 1 39 39 LYS N N 39 116.986 116.986 119.765 -2.779 18269 3500 1 8 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.093 -0.132 18269 3501 1 8 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.700 1.046 18269 3502 1 8 . 1 1 39 39 LYS CB C 39 32.310 32.310 31.860 0.450 18269 3503 1 8 . 1 1 39 39 LYS H H 39 7.586 7.586 7.765 -0.179 18269 3504 1 8 . 1 1 40 40 GLU N N 40 117.892 117.892 119.729 -1.837 18269 3505 1 8 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.260 -0.055 18269 3506 1 8 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.396 -1.037 18269 3507 1 8 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.530 -0.952 18269 3508 1 8 . 1 1 40 40 GLU H H 40 8.690 8.690 8.586 0.104 18269 3509 1 8 . 1 1 41 41 LEU N N 41 125.830 125.830 121.666 4.164 18269 3510 1 8 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.628 -0.081 18269 3511 1 8 . 1 1 41 41 LEU CA C 41 57.828 57.828 57.844 -0.017 18269 3512 1 8 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.739 -1.401 18269 3513 1 8 . 1 1 41 41 LEU H H 41 8.978 8.978 8.264 0.714 18269 3514 1 8 . 1 1 42 42 ILE N N 42 119.900 119.900 119.785 0.115 18269 3515 1 8 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.533 0.051 18269 3516 1 8 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.659 0.173 18269 3517 1 8 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.590 0.200 18269 3518 1 8 . 1 1 42 42 ILE H H 42 7.884 7.884 7.808 0.076 18269 3519 1 8 . 1 1 43 43 SER N N 43 114.071 114.071 116.694 -2.623 18269 3520 1 8 . 1 1 43 43 SER HA H 43 4.277 4.277 4.135 0.142 18269 3521 1 8 . 1 1 43 43 SER CA C 43 61.598 61.598 61.774 -0.176 18269 3522 1 8 . 1 1 43 43 SER CB C 43 62.767 62.767 63.207 -0.440 18269 3523 1 8 . 1 1 43 43 SER H H 43 7.791 7.791 8.278 -0.487 18269 3524 1 8 . 1 1 44 44 PHE N N 44 125.036 125.036 122.075 2.961 18269 3525 1 8 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.372 -0.043 18269 3526 1 8 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.893 -0.636 18269 3527 1 8 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.505 1.125 18269 3528 1 8 . 1 1 44 44 PHE H H 44 9.060 9.060 8.759 0.301 18269 3529 1 8 . 1 1 45 45 CYS N N 45 112.824 112.824 120.096 -7.272 18269 3530 1 8 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.597 0.009 18269 3531 1 8 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.576 -2.340 18269 3532 1 8 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.837 16.786 18269 3533 1 8 . 1 1 45 45 CYS H H 45 8.254 8.254 8.210 0.044 18269 3534 1 8 . 1 1 46 46 LEU N N 46 123.875 123.875 119.966 3.909 18269 3535 1 8 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.346 -0.171 18269 3536 1 8 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.949 1.202 18269 3537 1 8 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.336 -0.084 18269 3538 1 8 . 1 1 46 46 LEU H H 46 7.776 7.776 7.940 -0.164 18269 3539 1 8 . 1 1 47 47 ASP N N 47 116.880 116.880 120.112 -3.232 18269 3540 1 8 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.828 0.082 18269 3541 1 8 . 1 1 47 47 ASP CA C 47 53.585 53.585 53.217 0.368 18269 3542 1 8 . 1 1 47 47 ASP CB C 47 40.375 40.375 40.056 0.319 18269 3543 1 8 . 1 1 47 47 ASP H H 47 7.852 7.852 8.147 -0.295 18269 3544 1 8 . 1 1 48 48 THR N N 48 108.053 108.053 112.307 -4.254 18269 3545 1 8 . 1 1 48 48 THR HA H 48 4.461 4.461 4.502 -0.041 18269 3546 1 8 . 1 1 48 48 THR CA C 48 60.844 60.844 60.547 0.297 18269 3547 1 8 . 1 1 48 48 THR CB C 48 73.395 73.395 71.673 1.722 18269 3548 1 8 . 1 1 48 48 THR H H 48 7.139 7.139 7.482 -0.343 18269 3549 1 8 . 1 1 49 49 LYS N N 49 118.308 118.308 119.570 -1.262 18269 3550 1 8 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.615 0.103 18269 3551 1 8 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.596 -0.552 18269 3552 1 8 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.287 3.283 18269 3553 1 8 . 1 1 49 49 LYS H H 49 8.755 8.755 9.225 -0.470 18269 3554 1 8 . 1 1 50 50 GLY N N 50 108.996 108.996 109.965 -0.969 18269 3555 1 8 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.840 -0.997 18269 3556 1 8 . 1 1 50 50 GLY H H 50 8.866 8.866 8.793 0.073 18269 3557 1 8 . 1 1 51 51 LYS N N 51 126.155 126.155 121.314 4.841 18269 3558 1 8 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.030 -0.060 18269 3559 1 8 . 1 1 51 51 LYS CA C 51 58.110 58.110 58.704 -0.594 18269 3560 1 8 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.955 0.664 18269 3561 1 8 . 1 1 51 51 LYS H H 51 9.254 9.254 8.654 0.600 18269 3562 1 8 . 1 1 52 52 GLU N N 52 116.496 116.496 118.936 -2.440 18269 3563 1 8 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.175 -0.652 18269 3564 1 8 . 1 1 52 52 GLU CA C 52 59.390 59.390 58.987 0.403 18269 3565 1 8 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.739 -1.053 18269 3566 1 8 . 1 1 52 52 GLU H H 52 8.223 8.223 8.277 -0.054 18269 3567 1 8 . 1 1 53 53 ASN N N 53 119.000 119.000 119.687 -0.687 18269 3568 1 8 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.733 -0.349 18269 3569 1 8 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.859 1.119 18269 3570 1 8 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.662 0.784 18269 3571 1 8 . 1 1 53 53 ASN H H 53 6.840 6.840 8.770 -1.930 18269 3572 1 8 . 1 1 54 54 ARG N N 54 118.480 118.480 119.382 -0.902 18269 3573 1 8 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.131 -0.362 18269 3574 1 8 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.608 -0.211 18269 3575 1 8 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.827 -1.087 18269 3576 1 8 . 1 1 54 54 ARG H H 54 7.456 7.456 8.232 -0.776 18269 3577 1 8 . 1 1 55 55 LEU N N 55 118.688 118.688 121.602 -2.914 18269 3578 1 8 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.211 -0.403 18269 3579 1 8 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.961 0.499 18269 3580 1 8 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.877 -1.757 18269 3581 1 8 . 1 1 55 55 LEU H H 55 7.843 7.843 7.796 0.047 18269 3582 1 8 . 1 1 56 56 CYS N N 56 115.905 115.905 116.293 -0.388 18269 3583 1 8 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.955 -0.082 18269 3584 1 8 . 1 1 56 56 CYS CA C 56 63.037 63.037 60.046 2.991 18269 3585 1 8 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.126 16.779 18269 3586 1 8 . 1 1 56 56 CYS H H 56 7.752 7.752 7.787 -0.035 18269 3587 1 8 . 1 1 57 57 TYR N N 57 121.810 121.810 120.611 1.199 18269 3588 1 8 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.202 -0.059 18269 3589 1 8 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.048 0.266 18269 3590 1 8 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.648 -0.594 18269 3591 1 8 . 1 1 57 57 TYR H H 57 7.911 7.911 7.573 0.338 18269 3592 1 8 . 1 1 58 58 TYR N N 58 121.916 121.916 115.329 6.587 18269 3593 1 8 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.426 -0.051 18269 3594 1 8 . 1 1 58 58 TYR CA C 58 59.009 59.009 59.290 -0.281 18269 3595 1 8 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.044 -0.020 18269 3596 1 8 . 1 1 58 58 TYR H H 58 8.334 8.334 7.119 1.215 18269 3597 1 8 . 1 1 59 59 LEU N N 59 114.461 114.461 116.273 -1.812 18269 3598 1 8 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.154 -0.034 18269 3599 1 8 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.519 -0.290 18269 3600 1 8 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.379 -0.334 18269 3601 1 8 . 1 1 59 59 LEU H H 59 8.079 8.079 7.439 0.640 18269 3602 1 8 . 1 1 60 60 GLY N N 60 102.559 102.559 104.573 -2.014 18269 3603 1 8 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.677 -0.105 18269 3604 1 8 . 1 1 60 60 GLY H H 60 7.562 7.562 7.801 -0.239 18269 3605 1 8 . 1 1 61 61 ALA N N 61 120.327 120.327 124.813 -4.486 18269 3606 1 8 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.006 0.395 18269 3607 1 8 . 1 1 61 61 ALA CA C 61 51.265 51.265 54.763 -3.498 18269 3608 1 8 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.596 1.740 18269 3609 1 8 . 1 1 61 61 ALA H H 61 7.995 7.995 7.821 0.174 18269 3610 1 8 . 1 1 62 62 THR N N 62 106.895 106.895 106.662 0.233 18269 3611 1 8 . 1 1 62 62 THR HA H 62 4.518 4.518 4.011 0.507 18269 3612 1 8 . 1 1 62 62 THR CA C 62 59.982 59.982 62.736 -2.754 18269 3613 1 8 . 1 1 62 62 THR CB C 62 70.540 70.540 68.203 2.337 18269 3614 1 8 . 1 1 62 62 THR H H 62 7.156 7.156 7.293 -0.137 18269 3615 1 8 . 1 1 63 63 LYS N N 63 121.251 121.251 117.664 3.587 18269 3616 1 8 . 1 1 63 63 LYS HA H 63 4.097 4.097 3.900 0.197 18269 3617 1 8 . 1 1 63 63 LYS CA C 63 58.272 58.272 58.172 0.100 18269 3618 1 8 . 1 1 63 63 LYS CB C 63 32.155 32.155 31.316 0.839 18269 3619 1 8 . 1 1 63 63 LYS H H 63 8.626 8.626 7.702 0.924 18269 3620 1 8 . 1 1 64 64 ASP N N 64 116.607 116.607 117.289 -0.682 18269 3621 1 8 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.545 0.012 18269 3622 1 8 . 1 1 64 64 ASP CA C 64 53.902 53.902 55.263 -1.361 18269 3623 1 8 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.047 -0.941 18269 3624 1 8 . 1 1 64 64 ASP H H 64 8.441 8.441 8.090 0.351 18269 3625 1 8 . 1 1 65 65 ALA N N 65 122.486 122.486 121.750 0.736 18269 3626 1 8 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.456 -0.371 18269 3627 1 8 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.075 1.474 18269 3628 1 8 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.399 -0.842 18269 3629 1 8 . 1 1 65 65 ALA H H 65 7.368 7.368 7.397 -0.029 18269 3630 1 8 . 1 1 66 66 ALA N N 66 124.171 124.171 121.443 2.728 18269 3631 1 8 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.250 0.194 18269 3632 1 8 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.469 0.002 18269 3633 1 8 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.424 -0.159 18269 3634 1 8 . 1 1 66 66 ALA H H 66 8.300 8.300 8.382 -0.082 18269 3635 1 8 . 1 1 67 67 THR N N 67 111.638 111.638 115.899 -4.261 18269 3636 1 8 . 1 1 67 67 THR HA H 67 4.496 4.496 4.066 0.430 18269 3637 1 8 . 1 1 67 67 THR CA C 67 60.881 60.881 64.841 -3.959 18269 3638 1 8 . 1 1 67 67 THR CB C 67 70.199 70.199 69.015 1.184 18269 3639 1 8 . 1 1 67 67 THR H H 67 7.730 7.730 8.337 -0.607 18269 3640 1 8 . 1 1 68 68 LYS N N 68 121.732 121.732 122.027 -0.295 18269 3641 1 8 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.225 0.311 18269 3642 1 8 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.457 -1.895 18269 3643 1 8 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.307 0.792 18269 3644 1 8 . 1 1 68 68 LYS H H 68 8.502 8.502 8.237 0.265 18269 3645 1 8 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.955 0.384 18269 3646 1 8 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.711 -2.005 18269 3647 1 8 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.626 0.174 18269 3648 1 8 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.198 -0.067 18269 3649 1 8 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.004 0.612 18269 3650 1 8 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.847 -0.109 18269 3651 1 8 . 1 1 71 71 SER HA H 71 4.817 4.817 4.208 0.609 18269 3652 1 8 . 1 1 71 71 SER CA C 71 60.667 60.667 61.207 -0.540 18269 3653 1 8 . 1 1 71 71 SER CB C 71 62.646 62.646 63.046 -0.400 18269 3654 1 8 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.091 0.173 18269 3655 1 8 . 1 1 72 72 GLU CA C 72 56.629 56.629 59.095 -2.466 18269 3656 1 8 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.493 -1.246 18269 3657 1 8 . 1 1 73 73 VAL N N 73 114.786 114.786 115.886 -1.100 18269 3658 1 8 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.077 0.025 18269 3659 1 8 . 1 1 73 73 VAL CA C 73 63.741 63.741 64.915 -1.174 18269 3660 1 8 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.277 0.988 18269 3661 1 8 . 1 1 73 73 VAL H H 73 7.812 7.812 7.469 0.343 18269 3662 1 8 . 1 1 74 74 THR HA H 74 3.767 3.767 4.041 -0.274 18269 3663 1 8 . 1 1 74 74 THR CA C 74 65.584 65.584 65.872 -0.288 18269 3664 1 8 . 1 1 74 74 THR CB C 74 67.470 67.470 68.655 -1.185 18269 3665 1 8 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.276 -0.030 18269 3666 1 8 . 1 1 75 75 ARG CA C 75 61.383 61.383 59.121 2.262 18269 3667 1 8 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.511 1.109 18269 3668 1 8 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.548 -0.063 18269 3669 1 8 . 1 1 76 76 PRO CA C 76 65.697 65.697 64.922 0.775 18269 3670 1 8 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.540 -0.645 18269 3671 1 8 . 1 1 77 77 MET N N 77 117.583 117.583 116.467 1.116 18269 3672 1 8 . 1 1 77 77 MET HA H 77 4.684 4.684 4.466 0.218 18269 3673 1 8 . 1 1 77 77 MET CA C 77 59.347 59.347 55.874 3.473 18269 3674 1 8 . 1 1 77 77 MET CB C 77 32.996 32.996 31.369 1.627 18269 3675 1 8 . 1 1 77 77 MET H H 77 7.685 7.685 7.897 -0.212 18269 3676 1 8 . 1 1 78 78 SER N N 78 114.578 114.578 114.469 0.109 18269 3677 1 8 . 1 1 78 78 SER HA H 78 4.226 4.226 4.384 -0.158 18269 3678 1 8 . 1 1 78 78 SER CA C 78 61.922 61.922 60.030 1.892 18269 3679 1 8 . 1 1 78 78 SER CB C 78 62.406 62.406 63.477 -1.071 18269 3680 1 8 . 1 1 78 78 SER H H 78 8.285 8.285 7.485 0.800 18269 3681 1 8 . 1 1 79 79 VAL N N 79 111.248 111.248 117.455 -6.207 18269 3682 1 8 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.297 0.454 18269 3683 1 8 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.303 -0.177 18269 3684 1 8 . 1 1 79 79 VAL CB C 79 30.346 30.346 35.170 -4.824 18269 3685 1 8 . 1 1 79 79 VAL H H 79 7.004 7.004 7.101 -0.097 18269 3686 1 8 . 1 1 80 80 HIS N N 80 116.703 116.703 121.343 -4.640 18269 3687 1 8 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.622 -0.506 18269 3688 1 8 . 1 1 80 80 HIS CA C 80 56.826 56.826 56.260 0.566 18269 3689 1 8 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.357 -3.468 18269 3690 1 8 . 1 1 80 80 HIS H H 80 8.289 8.289 8.588 -0.299 18269 3691 1 8 . 1 1 81 81 MET N N 81 120.978 120.978 124.371 -3.393 18269 3692 1 8 . 1 1 81 81 MET HA H 81 4.512 4.512 4.747 -0.235 18269 3693 1 8 . 1 1 81 81 MET CA C 81 55.007 55.007 52.859 2.148 18269 3694 1 8 . 1 1 81 81 MET CB C 81 33.265 33.265 34.534 -1.269 18269 3695 1 8 . 1 1 81 81 MET H H 81 8.006 8.006 8.027 -0.021 18269 3696 1 8 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.160 0.181 18269 3697 1 8 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.809 -1.573 18269 3698 1 8 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.594 2.069 18269 3699 1 8 . 1 1 83 83 ALA N N 83 126.545 126.545 120.873 5.672 18269 3700 1 8 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.914 0.032 18269 3701 1 8 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.096 0.877 18269 3702 1 8 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.120 1.355 18269 3703 1 8 . 1 1 83 83 ALA H H 83 9.196 9.196 8.259 0.937 18269 3704 1 8 . 1 1 84 84 MET N N 84 114.734 114.734 115.766 -1.032 18269 3705 1 8 . 1 1 84 84 MET HA H 84 4.024 4.024 4.266 -0.242 18269 3706 1 8 . 1 1 84 84 MET CA C 84 58.812 58.812 58.097 0.715 18269 3707 1 8 . 1 1 84 84 MET CB C 84 32.242 32.242 32.155 0.087 18269 3708 1 8 . 1 1 84 84 MET H H 84 9.289 9.289 8.121 1.168 18269 3709 1 8 . 1 1 85 85 LYS N N 85 116.490 116.490 116.582 -0.092 18269 3710 1 8 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.273 -0.099 18269 3711 1 8 . 1 1 85 85 LYS CA C 85 58.116 58.116 57.515 0.601 18269 3712 1 8 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.444 -0.651 18269 3713 1 8 . 1 1 85 85 LYS H H 85 6.997 6.997 7.972 -0.975 18269 3714 1 8 . 1 1 86 86 ILE N N 86 120.561 120.561 122.000 -1.439 18269 3715 1 8 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.651 -0.036 18269 3716 1 8 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.503 0.775 18269 3717 1 8 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.724 -0.204 18269 3718 1 8 . 1 1 86 86 ILE H H 86 7.875 7.875 8.006 -0.131 18269 3719 1 8 . 1 1 87 87 CYS N N 87 117.323 117.323 117.494 -0.171 18269 3720 1 8 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.115 -0.039 18269 3721 1 8 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.226 -0.166 18269 3722 1 8 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.815 16.918 18269 3723 1 8 . 1 1 87 87 CYS H H 87 8.643 8.643 7.681 0.962 18269 3724 1 8 . 1 1 88 88 GLU N N 88 118.070 118.070 119.151 -1.081 18269 3725 1 8 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.171 -0.223 18269 3726 1 8 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.725 1.038 18269 3727 1 8 . 1 1 88 88 GLU CB C 88 29.764 29.764 30.010 -0.246 18269 3728 1 8 . 1 1 88 88 GLU H H 88 8.045 8.045 7.516 0.529 18269 3729 1 8 . 1 1 89 89 LYS N N 89 119.719 119.719 120.672 -0.953 18269 3730 1 8 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.071 0.067 18269 3731 1 8 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.172 -0.042 18269 3732 1 8 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.361 -0.658 18269 3733 1 8 . 1 1 89 89 LYS H H 89 7.530 7.530 8.220 -0.690 18269 3734 1 8 . 1 1 90 90 LEU N N 90 119.550 119.550 119.190 0.360 18269 3735 1 8 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.083 -0.118 18269 3736 1 8 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.824 0.519 18269 3737 1 8 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.304 -0.313 18269 3738 1 8 . 1 1 90 90 LEU H H 90 8.422 8.422 8.055 0.367 18269 3739 1 8 . 1 1 91 91 LYS N N 91 119.180 119.180 119.265 -0.085 18269 3740 1 8 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.340 -0.478 18269 3741 1 8 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.638 -0.033 18269 3742 1 8 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.022 0.455 18269 3743 1 8 . 1 1 91 91 LYS H H 91 8.218 8.218 7.623 0.595 18269 3744 1 8 . 1 1 92 92 LYS N N 92 113.632 113.632 119.896 -6.264 18269 3745 1 8 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.092 -0.039 18269 3746 1 8 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.980 -1.422 18269 3747 1 8 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.332 -0.398 18269 3748 1 8 . 1 1 92 92 LYS H H 92 6.984 6.984 7.475 -0.491 18269 3749 1 8 . 1 1 93 93 LEU N N 93 119.104 119.104 117.073 2.031 18269 3750 1 8 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.335 -0.045 18269 3751 1 8 . 1 1 93 93 LEU CA C 93 56.104 56.104 55.663 0.441 18269 3752 1 8 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.386 -1.284 18269 3753 1 8 . 1 1 93 93 LEU H H 93 7.456 7.456 7.580 -0.124 18269 3754 1 8 . 1 1 94 94 ASP N N 94 116.790 116.790 117.976 -1.186 18269 3755 1 8 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.721 -0.165 18269 3756 1 8 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.530 0.836 18269 3757 1 8 . 1 1 94 94 ASP CB C 94 41.173 41.173 43.312 -2.139 18269 3758 1 8 . 1 1 94 94 ASP H H 94 7.911 7.911 8.254 -0.343 18269 3759 1 8 . 1 1 95 95 SER N N 95 122.399 122.399 120.727 1.672 18269 3760 1 8 . 1 1 95 95 SER HA H 95 4.186 4.186 4.331 -0.145 18269 3761 1 8 . 1 1 95 95 SER CA C 95 61.472 61.472 60.623 0.849 18269 3762 1 8 . 1 1 95 95 SER CB C 95 62.568 62.568 63.341 -0.773 18269 3763 1 8 . 1 1 95 95 SER H H 95 8.894 8.894 8.753 0.141 18269 3764 1 8 . 1 1 96 96 GLN N N 96 120.800 120.800 122.527 -1.727 18269 3765 1 8 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.076 -0.214 18269 3766 1 8 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.579 0.572 18269 3767 1 8 . 1 1 96 96 GLN CB C 96 28.417 28.417 27.978 0.439 18269 3768 1 8 . 1 1 96 96 GLN H H 96 8.610 8.610 7.911 0.699 18269 3769 1 8 . 1 1 97 97 ILE N N 97 117.387 117.387 117.589 -0.202 18269 3770 1 8 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.692 -0.293 18269 3771 1 8 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.472 2.359 18269 3772 1 8 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.092 0.182 18269 3773 1 8 . 1 1 97 97 ILE H H 97 7.470 7.470 8.431 -0.961 18269 3774 1 8 . 1 1 98 98 CYS N N 98 113.485 113.485 118.716 -5.231 18269 3775 1 8 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.390 0.681 18269 3776 1 8 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.202 2.771 18269 3777 1 8 . 1 1 98 98 CYS CB C 98 48.586 48.586 28.344 20.242 18269 3778 1 8 . 1 1 98 98 CYS H H 98 7.410 7.410 7.196 0.214 18269 3779 1 8 . 1 1 99 99 GLU N N 99 119.123 119.123 119.571 -0.448 18269 3780 1 8 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.369 -0.046 18269 3781 1 8 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.000 0.726 18269 3782 1 8 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.717 1.262 18269 3783 1 8 . 1 1 99 99 GLU H H 99 7.308 7.308 7.863 -0.555 18269 3784 1 8 . 1 1 100 100 LEU N N 100 115.771 115.771 121.060 -5.289 18269 3785 1 8 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.056 0.241 18269 3786 1 8 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.880 -0.198 18269 3787 1 8 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.629 0.332 18269 3788 1 8 . 1 1 100 100 LEU H H 100 6.496 6.496 7.272 -0.776 18269 3789 1 8 . 1 1 101 101 LYS N N 101 125.672 125.672 114.687 10.985 18269 3790 1 8 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.035 0.559 18269 3791 1 8 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.531 -1.181 18269 3792 1 8 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.154 4.569 18269 3793 1 8 . 1 1 101 101 LYS H H 101 8.575 8.575 8.095 0.480 18269 3794 1 8 . 1 1 102 102 TYR N N 102 120.395 120.395 121.489 -1.094 18269 3795 1 8 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.452 -0.070 18269 3796 1 8 . 1 1 102 102 TYR CA C 102 60.024 60.024 58.115 1.909 18269 3797 1 8 . 1 1 102 102 TYR CB C 102 38.328 38.328 39.265 -0.937 18269 3798 1 8 . 1 1 102 102 TYR H H 102 8.756 8.756 8.249 0.507 18269 3799 1 8 . 1 1 103 103 GLU N N 103 121.550 121.550 122.948 -1.398 18269 3800 1 8 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.379 0.013 18269 3801 1 8 . 1 1 103 103 GLU CA C 103 56.327 56.327 56.389 -0.062 18269 3802 1 8 . 1 1 103 103 GLU CB C 103 30.302 30.302 27.794 2.509 18269 3803 1 8 . 1 1 103 103 GLU H H 103 8.835 8.835 9.125 -0.290 18269 3804 1 8 . 1 1 104 104 LYS N N 104 122.957 122.957 124.607 -1.650 18269 3805 1 8 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.249 0.212 18269 3806 1 8 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.457 -0.183 18269 3807 1 8 . 1 1 104 104 LYS CB C 104 33.047 33.047 30.883 2.164 18269 3808 1 8 . 1 1 104 104 LYS H H 104 8.490 8.490 8.292 0.198 18269 3809 1 9 . 1 1 2 2 GLU N N 2 121.590 121.590 122.226 -0.636 18269 3810 1 9 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.644 -0.350 18269 3811 1 9 . 1 1 2 2 GLU CA C 2 56.517 56.517 56.039 0.478 18269 3812 1 9 . 1 1 2 2 GLU CB C 2 30.151 30.151 32.405 -2.254 18269 3813 1 9 . 1 1 2 2 GLU H H 2 8.621 8.621 8.319 0.302 18269 3814 1 9 . 1 1 3 3 ALA N N 3 125.815 125.815 121.871 3.944 18269 3815 1 9 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.767 -0.401 18269 3816 1 9 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.471 1.187 18269 3817 1 9 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.827 -1.880 18269 3818 1 9 . 1 1 3 3 ALA H H 3 8.598 8.598 9.759 -1.161 18269 3819 1 9 . 1 1 4 4 GLY N N 4 108.386 108.386 107.710 0.676 18269 3820 1 9 . 1 1 4 4 GLY CA C 4 45.137 45.137 46.084 -0.947 18269 3821 1 9 . 1 1 4 4 GLY H H 4 8.487 8.487 7.813 0.674 18269 3822 1 9 . 1 1 5 5 GLY N N 5 108.367 108.367 113.293 -4.926 18269 3823 1 9 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.658 0.096 18269 3824 1 9 . 1 1 5 5 GLY H H 5 8.274 8.274 8.311 -0.037 18269 3825 1 9 . 1 1 6 6 ARG N N 6 121.577 121.577 121.243 0.334 18269 3826 1 9 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.732 -0.057 18269 3827 1 9 . 1 1 6 6 ARG CA C 6 53.881 53.881 52.892 0.989 18269 3828 1 9 . 1 1 6 6 ARG CB C 6 30.135 30.135 30.756 -0.621 18269 3829 1 9 . 1 1 6 6 ARG H H 6 8.297 8.297 8.059 0.238 18269 3830 1 9 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.580 -0.089 18269 3831 1 9 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.418 0.935 18269 3832 1 9 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.328 1.719 18269 3833 1 9 . 1 1 8 8 GLY N N 8 109.658 109.658 108.756 0.902 18269 3834 1 9 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.074 -0.986 18269 3835 1 9 . 1 1 8 8 GLY H H 8 8.660 8.660 8.188 0.472 18269 3836 1 9 . 1 1 9 9 ALA N N 9 123.995 123.995 120.124 3.871 18269 3837 1 9 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.621 -0.181 18269 3838 1 9 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.792 -0.995 18269 3839 1 9 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.247 0.032 18269 3840 1 9 . 1 1 9 9 ALA H H 9 8.200 8.200 7.848 0.352 18269 3841 1 9 . 1 1 10 10 ASP N N 10 119.834 119.834 118.878 0.956 18269 3842 1 9 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.769 -0.112 18269 3843 1 9 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.594 -0.055 18269 3844 1 9 . 1 1 10 10 ASP CB C 10 41.506 41.506 43.107 -1.601 18269 3845 1 9 . 1 1 10 10 ASP H H 10 8.290 8.290 8.217 0.073 18269 3846 1 9 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.755 -0.125 18269 3847 1 9 . 1 1 11 11 CYS CA C 11 54.758 54.758 58.822 -4.064 18269 3848 1 9 . 1 1 11 11 CYS CB C 11 40.460 40.460 28.167 12.293 18269 3849 1 9 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.966 -0.002 18269 3850 1 9 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.401 0.976 18269 3851 1 9 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.731 1.524 18269 3852 1 9 . 1 1 13 13 VAL N N 13 117.224 117.224 118.588 -1.364 18269 3853 1 9 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.665 0.081 18269 3854 1 9 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.769 -1.724 18269 3855 1 9 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.098 0.120 18269 3856 1 9 . 1 1 13 13 VAL H H 13 7.040 7.040 7.999 -0.959 18269 3857 1 9 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.030 0.055 18269 3858 1 9 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.535 -1.090 18269 3859 1 9 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.361 15.858 18269 3860 1 9 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.102 -0.043 18269 3861 1 9 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.950 -2.379 18269 3862 1 9 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.242 0.008 18269 3863 1 9 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.117 0.214 18269 3864 1 9 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.846 -0.672 18269 3865 1 9 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.656 -0.250 18269 3866 1 9 . 1 1 16 16 GLU H H 16 8.098 8.098 8.660 -0.562 18269 3867 1 9 . 1 1 17 17 PHE N N 17 120.745 120.745 121.314 -0.569 18269 3868 1 9 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.637 -0.322 18269 3869 1 9 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.973 0.541 18269 3870 1 9 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.532 0.981 18269 3871 1 9 . 1 1 17 17 PHE H H 17 9.126 9.126 8.294 0.832 18269 3872 1 9 . 1 1 18 18 LEU N N 18 115.787 115.787 118.688 -2.901 18269 3873 1 9 . 1 1 18 18 LEU HA H 18 4.143 4.143 4.042 0.101 18269 3874 1 9 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.140 -0.263 18269 3875 1 9 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.540 -0.588 18269 3876 1 9 . 1 1 18 18 LEU H H 18 8.505 8.505 8.236 0.269 18269 3877 1 9 . 1 1 19 19 ASN N N 19 117.635 117.635 117.873 -0.238 18269 3878 1 9 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.449 0.427 18269 3879 1 9 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.972 -0.499 18269 3880 1 9 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.970 -0.642 18269 3881 1 9 . 1 1 19 19 ASN H H 19 8.405 8.405 8.457 -0.052 18269 3882 1 9 . 1 1 20 20 ARG N N 20 122.851 122.851 118.923 3.928 18269 3883 1 9 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.065 0.052 18269 3884 1 9 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.361 0.928 18269 3885 1 9 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.111 0.344 18269 3886 1 9 . 1 1 20 20 ARG H H 20 8.325 8.325 7.862 0.463 18269 3887 1 9 . 1 1 21 21 PHE N N 21 121.774 121.774 121.378 0.396 18269 3888 1 9 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.054 0.227 18269 3889 1 9 . 1 1 21 21 PHE CA C 21 59.011 59.011 59.645 -0.634 18269 3890 1 9 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.035 -0.024 18269 3891 1 9 . 1 1 21 21 PHE H H 21 8.438 8.438 7.966 0.472 18269 3892 1 9 . 1 1 22 22 TYR N N 22 119.937 119.937 120.903 -0.966 18269 3893 1 9 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.691 0.098 18269 3894 1 9 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.997 -0.345 18269 3895 1 9 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.238 0.036 18269 3896 1 9 . 1 1 22 22 TYR H H 22 8.708 8.708 8.118 0.590 18269 3897 1 9 . 1 1 23 23 LYS N N 23 116.431 116.431 117.145 -0.714 18269 3898 1 9 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.784 0.075 18269 3899 1 9 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.719 0.424 18269 3900 1 9 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.470 0.747 18269 3901 1 9 . 1 1 23 23 LYS H H 23 7.928 7.928 8.426 -0.498 18269 3902 1 9 . 1 1 24 24 SER N N 24 113.888 113.888 116.399 -2.511 18269 3903 1 9 . 1 1 24 24 SER HA H 24 4.325 4.325 4.181 0.144 18269 3904 1 9 . 1 1 24 24 SER CA C 24 61.016 61.016 61.696 -0.680 18269 3905 1 9 . 1 1 24 24 SER CB C 24 62.837 62.837 62.913 -0.076 18269 3906 1 9 . 1 1 24 24 SER H H 24 7.665 7.665 7.605 0.060 18269 3907 1 9 . 1 1 25 25 LEU N N 25 119.663 119.663 122.647 -2.984 18269 3908 1 9 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.866 -0.187 18269 3909 1 9 . 1 1 25 25 LEU CA C 25 57.505 57.505 58.186 -0.681 18269 3910 1 9 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.030 0.872 18269 3911 1 9 . 1 1 25 25 LEU H H 25 7.573 7.573 7.883 -0.310 18269 3912 1 9 . 1 1 26 26 ILE N N 26 119.781 119.781 118.708 1.073 18269 3913 1 9 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.570 0.286 18269 3914 1 9 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.710 -0.161 18269 3915 1 9 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.509 0.796 18269 3916 1 9 . 1 1 26 26 ILE H H 26 8.094 8.094 7.538 0.556 18269 3917 1 9 . 1 1 27 27 ASP N N 27 122.421 122.421 119.769 2.652 18269 3918 1 9 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.414 -0.038 18269 3919 1 9 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.394 0.626 18269 3920 1 9 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.166 -1.086 18269 3921 1 9 . 1 1 27 27 ASP H H 27 9.091 9.091 7.760 1.331 18269 3922 1 9 . 1 1 28 28 ARG N N 28 115.349 115.349 117.358 -2.009 18269 3923 1 9 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.307 -0.002 18269 3924 1 9 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.502 -0.004 18269 3925 1 9 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.808 0.805 18269 3926 1 9 . 1 1 28 28 ARG H H 28 7.587 7.587 8.213 -0.626 18269 3927 1 9 . 1 1 29 29 GLY N N 29 109.999 109.999 108.395 1.604 18269 3928 1 9 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.357 1.304 18269 3929 1 9 . 1 1 29 29 GLY H H 29 7.909 7.909 7.882 0.027 18269 3930 1 9 . 1 1 30 30 VAL N N 30 118.740 118.740 120.820 -2.080 18269 3931 1 9 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.404 -0.645 18269 3932 1 9 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.074 1.397 18269 3933 1 9 . 1 1 30 30 VAL CB C 30 32.326 32.326 30.600 1.726 18269 3934 1 9 . 1 1 30 30 VAL H H 30 7.701 7.701 8.066 -0.365 18269 3935 1 9 . 1 1 31 31 ASN N N 31 123.250 123.250 124.579 -1.329 18269 3936 1 9 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.850 -0.137 18269 3937 1 9 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.422 1.066 18269 3938 1 9 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.878 -0.667 18269 3939 1 9 . 1 1 31 31 ASN H H 31 8.498 8.498 8.046 0.452 18269 3940 1 9 . 1 1 32 32 PHE N N 32 126.076 126.076 114.447 11.629 18269 3941 1 9 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.360 -0.222 18269 3942 1 9 . 1 1 32 32 PHE CA C 32 58.647 58.647 59.156 -0.509 18269 3943 1 9 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.500 -0.721 18269 3944 1 9 . 1 1 32 32 PHE H H 32 8.783 8.783 8.194 0.589 18269 3945 1 9 . 1 1 33 33 SER N N 33 115.958 115.958 114.523 1.435 18269 3946 1 9 . 1 1 33 33 SER HA H 33 4.736 4.736 4.649 0.087 18269 3947 1 9 . 1 1 33 33 SER CA C 33 56.745 56.745 57.653 -0.908 18269 3948 1 9 . 1 1 33 33 SER CB C 33 64.899 64.899 64.242 0.657 18269 3949 1 9 . 1 1 33 33 SER H H 33 7.699 7.699 7.563 0.136 18269 3950 1 9 . 1 1 34 34 LEU N N 34 124.359 124.359 126.649 -2.290 18269 3951 1 9 . 1 1 34 34 LEU HA H 34 3.853 3.853 3.946 -0.093 18269 3952 1 9 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.637 1.034 18269 3953 1 9 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.862 -0.316 18269 3954 1 9 . 1 1 34 34 LEU H H 34 8.935 8.935 8.654 0.281 18269 3955 1 9 . 1 1 35 35 ASP N N 35 115.345 115.345 117.259 -1.914 18269 3956 1 9 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.367 0.011 18269 3957 1 9 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.202 -0.344 18269 3958 1 9 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.629 -0.469 18269 3959 1 9 . 1 1 35 35 ASP H H 35 8.575 8.575 8.525 0.050 18269 3960 1 9 . 1 1 36 36 THR N N 36 116.789 116.789 116.432 0.357 18269 3961 1 9 . 1 1 36 36 THR HA H 36 4.015 4.015 4.078 -0.063 18269 3962 1 9 . 1 1 36 36 THR CA C 36 66.069 66.069 66.098 -0.029 18269 3963 1 9 . 1 1 36 36 THR CB C 36 68.780 68.780 68.884 -0.104 18269 3964 1 9 . 1 1 36 36 THR H H 36 7.593 7.593 7.520 0.073 18269 3965 1 9 . 1 1 37 37 ILE N N 37 120.685 120.685 121.550 -0.865 18269 3966 1 9 . 1 1 37 37 ILE HA H 37 3.369 3.369 4.177 -0.808 18269 3967 1 9 . 1 1 37 37 ILE CA C 37 65.800 65.800 63.161 2.639 18269 3968 1 9 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.108 0.984 18269 3969 1 9 . 1 1 37 37 ILE H H 37 8.436 8.436 8.586 -0.150 18269 3970 1 9 . 1 1 38 38 GLU N N 38 118.792 118.792 120.682 -1.890 18269 3971 1 9 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.871 -0.193 18269 3972 1 9 . 1 1 38 38 GLU CA C 38 61.060 61.060 60.442 0.618 18269 3973 1 9 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.522 0.349 18269 3974 1 9 . 1 1 38 38 GLU H H 38 8.122 8.122 7.898 0.224 18269 3975 1 9 . 1 1 39 39 LYS N N 39 116.986 116.986 119.174 -2.188 18269 3976 1 9 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.112 -0.151 18269 3977 1 9 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.690 1.056 18269 3978 1 9 . 1 1 39 39 LYS CB C 39 32.310 32.310 31.920 0.390 18269 3979 1 9 . 1 1 39 39 LYS H H 39 7.586 7.586 7.469 0.117 18269 3980 1 9 . 1 1 40 40 GLU N N 40 117.892 117.892 121.204 -3.312 18269 3981 1 9 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.159 0.046 18269 3982 1 9 . 1 1 40 40 GLU CA C 40 58.359 58.359 60.001 -1.642 18269 3983 1 9 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.804 -1.225 18269 3984 1 9 . 1 1 40 40 GLU H H 40 8.690 8.690 8.535 0.155 18269 3985 1 9 . 1 1 41 41 LEU N N 41 125.830 125.830 120.160 5.670 18269 3986 1 9 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.729 -0.182 18269 3987 1 9 . 1 1 41 41 LEU CA C 41 57.828 57.828 57.749 0.079 18269 3988 1 9 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.088 -0.750 18269 3989 1 9 . 1 1 41 41 LEU H H 41 8.978 8.978 8.478 0.500 18269 3990 1 9 . 1 1 42 42 ILE N N 42 119.900 119.900 120.409 -0.509 18269 3991 1 9 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.962 -0.378 18269 3992 1 9 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.442 0.391 18269 3993 1 9 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.857 -0.067 18269 3994 1 9 . 1 1 42 42 ILE H H 42 7.884 7.884 7.950 -0.066 18269 3995 1 9 . 1 1 43 43 SER N N 43 114.071 114.071 116.620 -2.549 18269 3996 1 9 . 1 1 43 43 SER HA H 43 4.277 4.277 4.182 0.095 18269 3997 1 9 . 1 1 43 43 SER CA C 43 61.598 61.598 62.471 -0.873 18269 3998 1 9 . 1 1 43 43 SER CB C 43 62.767 62.767 63.048 -0.282 18269 3999 1 9 . 1 1 43 43 SER H H 43 7.791 7.791 8.595 -0.804 18269 4000 1 9 . 1 1 44 44 PHE N N 44 125.036 125.036 121.863 3.173 18269 4001 1 9 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.419 -0.090 18269 4002 1 9 . 1 1 44 44 PHE CA C 44 61.257 61.257 60.589 0.668 18269 4003 1 9 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.154 1.477 18269 4004 1 9 . 1 1 44 44 PHE H H 44 9.060 9.060 8.331 0.729 18269 4005 1 9 . 1 1 45 45 CYS N N 45 112.824 112.824 120.744 -7.920 18269 4006 1 9 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.413 0.193 18269 4007 1 9 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.999 -2.763 18269 4008 1 9 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.252 16.371 18269 4009 1 9 . 1 1 45 45 CYS H H 45 8.254 8.254 8.250 0.004 18269 4010 1 9 . 1 1 46 46 LEU N N 46 123.875 123.875 118.724 5.151 18269 4011 1 9 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.293 -0.118 18269 4012 1 9 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.894 1.257 18269 4013 1 9 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.160 1.092 18269 4014 1 9 . 1 1 46 46 LEU H H 46 7.776 7.776 7.883 -0.107 18269 4015 1 9 . 1 1 47 47 ASP N N 47 116.880 116.880 116.915 -0.035 18269 4016 1 9 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.478 0.432 18269 4017 1 9 . 1 1 47 47 ASP CA C 47 53.585 53.585 56.079 -2.494 18269 4018 1 9 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.729 -1.354 18269 4019 1 9 . 1 1 47 47 ASP H H 47 7.852 7.852 8.070 -0.218 18269 4020 1 9 . 1 1 48 48 THR N N 48 108.053 108.053 113.096 -5.043 18269 4021 1 9 . 1 1 48 48 THR HA H 48 4.461 4.461 3.991 0.470 18269 4022 1 9 . 1 1 48 48 THR CA C 48 60.844 60.844 62.056 -1.212 18269 4023 1 9 . 1 1 48 48 THR CB C 48 73.395 73.395 69.195 4.200 18269 4024 1 9 . 1 1 48 48 THR H H 48 7.139 7.139 7.295 -0.156 18269 4025 1 9 . 1 1 49 49 LYS N N 49 118.308 118.308 119.163 -0.855 18269 4026 1 9 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.575 0.143 18269 4027 1 9 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.641 -0.597 18269 4028 1 9 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.288 3.282 18269 4029 1 9 . 1 1 49 49 LYS H H 49 8.755 8.755 8.629 0.126 18269 4030 1 9 . 1 1 50 50 GLY N N 50 108.996 108.996 110.281 -1.285 18269 4031 1 9 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.956 -1.113 18269 4032 1 9 . 1 1 50 50 GLY H H 50 8.866 8.866 8.681 0.185 18269 4033 1 9 . 1 1 51 51 LYS N N 51 126.155 126.155 121.037 5.118 18269 4034 1 9 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.060 -0.090 18269 4035 1 9 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.238 -1.128 18269 4036 1 9 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.817 0.802 18269 4037 1 9 . 1 1 51 51 LYS H H 51 9.254 9.254 8.723 0.531 18269 4038 1 9 . 1 1 52 52 GLU N N 52 116.496 116.496 119.269 -2.773 18269 4039 1 9 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.165 -0.642 18269 4040 1 9 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.514 -0.124 18269 4041 1 9 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.809 -1.123 18269 4042 1 9 . 1 1 52 52 GLU H H 52 8.223 8.223 8.211 0.012 18269 4043 1 9 . 1 1 53 53 ASN N N 53 119.000 119.000 118.230 0.770 18269 4044 1 9 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.933 -0.549 18269 4045 1 9 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.459 1.519 18269 4046 1 9 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.660 0.786 18269 4047 1 9 . 1 1 53 53 ASN H H 53 6.840 6.840 8.782 -1.942 18269 4048 1 9 . 1 1 54 54 ARG N N 54 118.480 118.480 119.249 -0.769 18269 4049 1 9 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.518 -0.749 18269 4050 1 9 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.029 0.368 18269 4051 1 9 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.271 -1.531 18269 4052 1 9 . 1 1 54 54 ARG H H 54 7.456 7.456 7.852 -0.396 18269 4053 1 9 . 1 1 55 55 LEU N N 55 118.688 118.688 122.540 -3.852 18269 4054 1 9 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.340 -0.532 18269 4055 1 9 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.110 0.349 18269 4056 1 9 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.969 -1.849 18269 4057 1 9 . 1 1 55 55 LEU H H 55 7.843 7.843 8.100 -0.257 18269 4058 1 9 . 1 1 56 56 CYS N N 56 115.905 115.905 116.547 -0.642 18269 4059 1 9 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.920 -0.047 18269 4060 1 9 . 1 1 56 56 CYS CA C 56 63.037 63.037 60.600 2.437 18269 4061 1 9 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.058 16.847 18269 4062 1 9 . 1 1 56 56 CYS H H 56 7.752 7.752 8.498 -0.746 18269 4063 1 9 . 1 1 57 57 TYR N N 57 121.810 121.810 120.438 1.372 18269 4064 1 9 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.047 0.096 18269 4065 1 9 . 1 1 57 57 TYR CA C 57 61.315 61.315 62.084 -0.769 18269 4066 1 9 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.630 -0.576 18269 4067 1 9 . 1 1 57 57 TYR H H 57 7.911 7.911 7.543 0.368 18269 4068 1 9 . 1 1 58 58 TYR N N 58 121.916 121.916 116.991 4.925 18269 4069 1 9 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.291 0.084 18269 4070 1 9 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.649 -1.640 18269 4071 1 9 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.737 -0.713 18269 4072 1 9 . 1 1 58 58 TYR H H 58 8.334 8.334 7.526 0.808 18269 4073 1 9 . 1 1 59 59 LEU N N 59 114.461 114.461 115.320 -0.859 18269 4074 1 9 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.043 0.077 18269 4075 1 9 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.616 -0.387 18269 4076 1 9 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.841 0.204 18269 4077 1 9 . 1 1 59 59 LEU H H 59 8.079 8.079 8.221 -0.142 18269 4078 1 9 . 1 1 60 60 GLY N N 60 102.559 102.559 104.542 -1.983 18269 4079 1 9 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.156 0.416 18269 4080 1 9 . 1 1 60 60 GLY H H 60 7.562 7.562 7.594 -0.032 18269 4081 1 9 . 1 1 61 61 ALA N N 61 120.327 120.327 120.596 -0.269 18269 4082 1 9 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.564 -0.163 18269 4083 1 9 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.203 0.062 18269 4084 1 9 . 1 1 61 61 ALA CB C 61 20.337 20.337 20.313 0.024 18269 4085 1 9 . 1 1 61 61 ALA H H 61 7.995 7.995 8.388 -0.393 18269 4086 1 9 . 1 1 62 62 THR N N 62 106.895 106.895 111.565 -4.670 18269 4087 1 9 . 1 1 62 62 THR HA H 62 4.518 4.518 4.447 0.071 18269 4088 1 9 . 1 1 62 62 THR CA C 62 59.982 59.982 60.342 -0.360 18269 4089 1 9 . 1 1 62 62 THR CB C 62 70.540 70.540 71.084 -0.544 18269 4090 1 9 . 1 1 62 62 THR H H 62 7.156 7.156 7.508 -0.352 18269 4091 1 9 . 1 1 63 63 LYS N N 63 121.251 121.251 124.768 -3.517 18269 4092 1 9 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.214 -0.117 18269 4093 1 9 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.383 0.889 18269 4094 1 9 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.346 -0.191 18269 4095 1 9 . 1 1 63 63 LYS H H 63 8.626 8.626 8.638 -0.012 18269 4096 1 9 . 1 1 64 64 ASP N N 64 116.607 116.607 118.734 -2.127 18269 4097 1 9 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.692 -0.135 18269 4098 1 9 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.694 -0.792 18269 4099 1 9 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.418 -1.312 18269 4100 1 9 . 1 1 64 64 ASP H H 64 8.441 8.441 7.663 0.778 18269 4101 1 9 . 1 1 65 65 ALA N N 65 122.486 122.486 121.308 1.178 18269 4102 1 9 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.785 -0.700 18269 4103 1 9 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.691 1.858 18269 4104 1 9 . 1 1 65 65 ALA CB C 65 19.557 19.557 21.396 -1.839 18269 4105 1 9 . 1 1 65 65 ALA H H 65 7.368 7.368 7.250 0.118 18269 4106 1 9 . 1 1 66 66 ALA N N 66 124.171 124.171 121.565 2.606 18269 4107 1 9 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.219 0.225 18269 4108 1 9 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.707 -0.236 18269 4109 1 9 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.544 0.721 18269 4110 1 9 . 1 1 66 66 ALA H H 66 8.300 8.300 8.667 -0.367 18269 4111 1 9 . 1 1 67 67 THR N N 67 111.638 111.638 120.156 -8.518 18269 4112 1 9 . 1 1 67 67 THR HA H 67 4.496 4.496 4.177 0.319 18269 4113 1 9 . 1 1 67 67 THR CA C 67 60.881 60.881 64.618 -3.737 18269 4114 1 9 . 1 1 67 67 THR CB C 67 70.199 70.199 69.081 1.118 18269 4115 1 9 . 1 1 67 67 THR H H 67 7.730 7.730 8.465 -0.735 18269 4116 1 9 . 1 1 68 68 LYS N N 68 121.732 121.732 122.533 -0.801 18269 4117 1 9 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.106 0.430 18269 4118 1 9 . 1 1 68 68 LYS CA C 68 56.562 56.562 59.528 -2.966 18269 4119 1 9 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.233 0.866 18269 4120 1 9 . 1 1 68 68 LYS H H 68 8.502 8.502 8.139 0.363 18269 4121 1 9 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.899 0.440 18269 4122 1 9 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.076 -1.370 18269 4123 1 9 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.730 0.070 18269 4124 1 9 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.194 -0.063 18269 4125 1 9 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.968 0.648 18269 4126 1 9 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.818 -0.080 18269 4127 1 9 . 1 1 71 71 SER HA H 71 4.817 4.817 4.261 0.556 18269 4128 1 9 . 1 1 71 71 SER CA C 71 60.667 60.667 61.515 -0.848 18269 4129 1 9 . 1 1 71 71 SER CB C 71 62.646 62.646 62.796 -0.150 18269 4130 1 9 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.150 0.114 18269 4131 1 9 . 1 1 72 72 GLU CA C 72 56.629 56.629 59.000 -2.371 18269 4132 1 9 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.601 -1.353 18269 4133 1 9 . 1 1 73 73 VAL N N 73 114.786 114.786 118.984 -4.198 18269 4134 1 9 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.794 0.308 18269 4135 1 9 . 1 1 73 73 VAL CA C 73 63.741 63.741 66.199 -2.458 18269 4136 1 9 . 1 1 73 73 VAL CB C 73 33.265 33.265 30.710 2.555 18269 4137 1 9 . 1 1 73 73 VAL H H 73 7.812 7.812 8.564 -0.752 18269 4138 1 9 . 1 1 74 74 THR HA H 74 3.767 3.767 3.945 -0.178 18269 4139 1 9 . 1 1 74 74 THR CA C 74 65.584 65.584 65.794 -0.210 18269 4140 1 9 . 1 1 74 74 THR CB C 74 67.470 67.470 68.564 -1.094 18269 4141 1 9 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.246 0.000 18269 4142 1 9 . 1 1 75 75 ARG CA C 75 61.383 61.383 59.623 1.760 18269 4143 1 9 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.943 0.677 18269 4144 1 9 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.475 0.010 18269 4145 1 9 . 1 1 76 76 PRO CA C 76 65.697 65.697 64.641 1.056 18269 4146 1 9 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.941 -1.046 18269 4147 1 9 . 1 1 77 77 MET N N 77 117.583 117.583 118.476 -0.893 18269 4148 1 9 . 1 1 77 77 MET HA H 77 4.684 4.684 4.343 0.341 18269 4149 1 9 . 1 1 77 77 MET CA C 77 59.347 59.347 56.857 2.490 18269 4150 1 9 . 1 1 77 77 MET CB C 77 32.996 32.996 32.130 0.866 18269 4151 1 9 . 1 1 77 77 MET H H 77 7.685 7.685 8.461 -0.776 18269 4152 1 9 . 1 1 78 78 SER N N 78 114.578 114.578 114.150 0.428 18269 4153 1 9 . 1 1 78 78 SER HA H 78 4.226 4.226 4.198 0.028 18269 4154 1 9 . 1 1 78 78 SER CA C 78 61.922 61.922 60.130 1.792 18269 4155 1 9 . 1 1 78 78 SER CB C 78 62.406 62.406 63.545 -1.139 18269 4156 1 9 . 1 1 78 78 SER H H 78 8.285 8.285 7.656 0.629 18269 4157 1 9 . 1 1 79 79 VAL N N 79 111.248 111.248 118.553 -7.305 18269 4158 1 9 . 1 1 79 79 VAL HA H 79 4.751 4.751 3.799 0.952 18269 4159 1 9 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.256 0.870 18269 4160 1 9 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.162 -3.816 18269 4161 1 9 . 1 1 79 79 VAL H H 79 7.004 7.004 7.569 -0.565 18269 4162 1 9 . 1 1 80 80 HIS N N 80 116.703 116.703 120.253 -3.550 18269 4163 1 9 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.415 -0.299 18269 4164 1 9 . 1 1 80 80 HIS CA C 80 56.826 56.826 60.312 -3.486 18269 4165 1 9 . 1 1 80 80 HIS CB C 80 25.889 25.889 30.182 -4.293 18269 4166 1 9 . 1 1 80 80 HIS H H 80 8.289 8.289 8.550 -0.261 18269 4167 1 9 . 1 1 81 81 MET N N 81 120.978 120.978 116.618 4.360 18269 4168 1 9 . 1 1 81 81 MET HA H 81 4.512 4.512 4.356 0.156 18269 4169 1 9 . 1 1 81 81 MET CA C 81 55.007 55.007 55.405 -0.398 18269 4170 1 9 . 1 1 81 81 MET CB C 81 33.265 33.265 32.208 1.057 18269 4171 1 9 . 1 1 81 81 MET H H 81 8.006 8.006 8.129 -0.123 18269 4172 1 9 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.190 0.151 18269 4173 1 9 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.619 -1.383 18269 4174 1 9 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.855 1.808 18269 4175 1 9 . 1 1 83 83 ALA N N 83 126.545 126.545 120.826 5.719 18269 4176 1 9 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.801 0.145 18269 4177 1 9 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.209 0.763 18269 4178 1 9 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.173 1.302 18269 4179 1 9 . 1 1 83 83 ALA H H 83 9.196 9.196 7.896 1.300 18269 4180 1 9 . 1 1 84 84 MET N N 84 114.734 114.734 116.448 -1.714 18269 4181 1 9 . 1 1 84 84 MET HA H 84 4.024 4.024 4.454 -0.430 18269 4182 1 9 . 1 1 84 84 MET CA C 84 58.812 58.812 57.438 1.374 18269 4183 1 9 . 1 1 84 84 MET CB C 84 32.242 32.242 31.164 1.078 18269 4184 1 9 . 1 1 84 84 MET H H 84 9.289 9.289 7.741 1.548 18269 4185 1 9 . 1 1 85 85 LYS N N 85 116.490 116.490 120.110 -3.620 18269 4186 1 9 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.082 0.092 18269 4187 1 9 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.993 -0.877 18269 4188 1 9 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.780 0.012 18269 4189 1 9 . 1 1 85 85 LYS H H 85 6.997 6.997 8.477 -1.480 18269 4190 1 9 . 1 1 86 86 ILE N N 86 120.561 120.561 119.674 0.887 18269 4191 1 9 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.731 -0.116 18269 4192 1 9 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.518 1.760 18269 4193 1 9 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.593 -0.073 18269 4194 1 9 . 1 1 86 86 ILE H H 86 7.875 7.875 7.463 0.412 18269 4195 1 9 . 1 1 87 87 CYS N N 87 117.323 117.323 119.794 -2.471 18269 4196 1 9 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.127 -0.051 18269 4197 1 9 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.566 -1.506 18269 4198 1 9 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.771 16.962 18269 4199 1 9 . 1 1 87 87 CYS H H 87 8.643 8.643 7.793 0.850 18269 4200 1 9 . 1 1 88 88 GLU N N 88 118.070 118.070 120.441 -2.371 18269 4201 1 9 . 1 1 88 88 GLU HA H 88 3.948 3.948 3.998 -0.050 18269 4202 1 9 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.600 0.163 18269 4203 1 9 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.140 0.624 18269 4204 1 9 . 1 1 88 88 GLU H H 88 8.045 8.045 7.830 0.215 18269 4205 1 9 . 1 1 89 89 LYS N N 89 119.719 119.719 119.145 0.574 18269 4206 1 9 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.128 0.010 18269 4207 1 9 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.422 0.709 18269 4208 1 9 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.286 -0.583 18269 4209 1 9 . 1 1 89 89 LYS H H 89 7.530 7.530 8.097 -0.567 18269 4210 1 9 . 1 1 90 90 LEU N N 90 119.550 119.550 121.162 -1.612 18269 4211 1 9 . 1 1 90 90 LEU HA H 90 3.965 3.965 3.963 0.002 18269 4212 1 9 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.635 -0.292 18269 4213 1 9 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.698 -0.707 18269 4214 1 9 . 1 1 90 90 LEU H H 90 8.422 8.422 8.260 0.162 18269 4215 1 9 . 1 1 91 91 LYS N N 91 119.180 119.180 118.246 0.934 18269 4216 1 9 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.377 -0.515 18269 4217 1 9 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.707 -0.102 18269 4218 1 9 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.044 0.433 18269 4219 1 9 . 1 1 91 91 LYS H H 91 8.218 8.218 7.955 0.264 18269 4220 1 9 . 1 1 92 92 LYS N N 92 113.632 113.632 119.091 -5.459 18269 4221 1 9 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.119 -0.066 18269 4222 1 9 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.749 -1.191 18269 4223 1 9 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.277 -0.343 18269 4224 1 9 . 1 1 92 92 LYS H H 92 6.984 6.984 7.448 -0.464 18269 4225 1 9 . 1 1 93 93 LEU N N 93 119.104 119.104 118.570 0.534 18269 4226 1 9 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.310 -0.020 18269 4227 1 9 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.327 -0.223 18269 4228 1 9 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.285 -1.183 18269 4229 1 9 . 1 1 93 93 LEU H H 93 7.456 7.456 7.477 -0.021 18269 4230 1 9 . 1 1 94 94 ASP N N 94 116.790 116.790 117.718 -0.928 18269 4231 1 9 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.742 -0.186 18269 4232 1 9 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.306 1.060 18269 4233 1 9 . 1 1 94 94 ASP CB C 94 41.173 41.173 43.211 -2.038 18269 4234 1 9 . 1 1 94 94 ASP H H 94 7.911 7.911 8.358 -0.447 18269 4235 1 9 . 1 1 95 95 SER N N 95 122.399 122.399 119.976 2.423 18269 4236 1 9 . 1 1 95 95 SER HA H 95 4.186 4.186 4.460 -0.274 18269 4237 1 9 . 1 1 95 95 SER CA C 95 61.472 61.472 60.932 0.540 18269 4238 1 9 . 1 1 95 95 SER CB C 95 62.568 62.568 63.515 -0.947 18269 4239 1 9 . 1 1 95 95 SER H H 95 8.894 8.894 8.824 0.070 18269 4240 1 9 . 1 1 96 96 GLN N N 96 120.800 120.800 121.310 -0.510 18269 4241 1 9 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.158 -0.296 18269 4242 1 9 . 1 1 96 96 GLN CA C 96 58.151 58.151 56.918 1.233 18269 4243 1 9 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.313 0.104 18269 4244 1 9 . 1 1 96 96 GLN H H 96 8.610 8.610 8.184 0.426 18269 4245 1 9 . 1 1 97 97 ILE N N 97 117.387 117.387 119.295 -1.908 18269 4246 1 9 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.414 -0.015 18269 4247 1 9 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.440 2.392 18269 4248 1 9 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.962 0.312 18269 4249 1 9 . 1 1 97 97 ILE H H 97 7.470 7.470 8.153 -0.683 18269 4250 1 9 . 1 1 98 98 CYS N N 98 113.485 113.485 116.647 -3.162 18269 4251 1 9 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.336 0.735 18269 4252 1 9 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.134 2.839 18269 4253 1 9 . 1 1 98 98 CYS CB C 98 48.586 48.586 26.703 21.883 18269 4254 1 9 . 1 1 98 98 CYS H H 98 7.410 7.410 7.599 -0.189 18269 4255 1 9 . 1 1 99 99 GLU N N 99 119.123 119.123 119.653 -0.530 18269 4256 1 9 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.197 0.126 18269 4257 1 9 . 1 1 99 99 GLU CA C 99 56.726 56.726 58.304 -1.578 18269 4258 1 9 . 1 1 99 99 GLU CB C 99 29.979 29.979 29.649 0.330 18269 4259 1 9 . 1 1 99 99 GLU H H 99 7.308 7.308 7.203 0.105 18269 4260 1 9 . 1 1 100 100 LEU N N 100 115.771 115.771 116.457 -0.686 18269 4261 1 9 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.750 0.547 18269 4262 1 9 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.877 -1.195 18269 4263 1 9 . 1 1 100 100 LEU CB C 100 42.961 42.961 40.999 1.962 18269 4264 1 9 . 1 1 100 100 LEU H H 100 6.496 6.496 8.058 -1.562 18269 4265 1 9 . 1 1 101 101 LYS N N 101 125.672 125.672 116.552 9.120 18269 4266 1 9 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.843 0.751 18269 4267 1 9 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.762 -1.412 18269 4268 1 9 . 1 1 101 101 LYS CB C 101 35.723 35.723 30.406 5.317 18269 4269 1 9 . 1 1 101 101 LYS H H 101 8.575 8.575 8.005 0.570 18269 4270 1 9 . 1 1 102 102 TYR N N 102 120.395 120.395 122.923 -2.528 18269 4271 1 9 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.176 0.206 18269 4272 1 9 . 1 1 102 102 TYR CA C 102 60.024 60.024 61.514 -1.490 18269 4273 1 9 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.749 -0.421 18269 4274 1 9 . 1 1 102 102 TYR H H 102 8.756 8.756 8.840 -0.084 18269 4275 1 9 . 1 1 103 103 GLU N N 103 121.550 121.550 115.131 6.419 18269 4276 1 9 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.614 -0.222 18269 4277 1 9 . 1 1 103 103 GLU CA C 103 56.327 56.327 56.238 0.089 18269 4278 1 9 . 1 1 103 103 GLU CB C 103 30.302 30.302 32.178 -1.877 18269 4279 1 9 . 1 1 103 103 GLU H H 103 8.835 8.835 8.385 0.450 18269 4280 1 9 . 1 1 104 104 LYS N N 104 122.957 122.957 119.461 3.496 18269 4281 1 9 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.532 -0.071 18269 4282 1 9 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.524 -0.250 18269 4283 1 9 . 1 1 104 104 LYS CB C 104 33.047 33.047 33.752 -0.705 18269 4284 1 9 . 1 1 104 104 LYS H H 104 8.490 8.490 8.532 -0.042 18269 4285 1 10 . 1 1 2 2 GLU N N 2 121.590 121.590 120.013 1.577 18269 4286 1 10 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.077 0.217 18269 4287 1 10 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.449 -0.932 18269 4288 1 10 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.652 0.499 18269 4289 1 10 . 1 1 2 2 GLU H H 2 8.621 8.621 8.749 -0.128 18269 4290 1 10 . 1 1 3 3 ALA N N 3 125.815 125.815 128.969 -3.154 18269 4291 1 10 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.506 -0.140 18269 4292 1 10 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.925 0.732 18269 4293 1 10 . 1 1 3 3 ALA CB C 3 18.947 18.947 19.128 -0.181 18269 4294 1 10 . 1 1 3 3 ALA H H 3 8.598 8.598 8.337 0.261 18269 4295 1 10 . 1 1 4 4 GLY N N 4 108.386 108.386 107.676 0.710 18269 4296 1 10 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.099 0.039 18269 4297 1 10 . 1 1 4 4 GLY H H 4 8.487 8.487 8.275 0.212 18269 4298 1 10 . 1 1 5 5 GLY N N 5 108.367 108.367 106.799 1.568 18269 4299 1 10 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.653 0.101 18269 4300 1 10 . 1 1 5 5 GLY H H 5 8.274 8.274 7.883 0.391 18269 4301 1 10 . 1 1 6 6 ARG N N 6 121.577 121.577 120.686 0.891 18269 4302 1 10 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.208 0.467 18269 4303 1 10 . 1 1 6 6 ARG CA C 6 53.881 53.881 54.800 -0.919 18269 4304 1 10 . 1 1 6 6 ARG CB C 6 30.135 30.135 29.736 0.399 18269 4305 1 10 . 1 1 6 6 ARG H H 6 8.297 8.297 8.914 -0.617 18269 4306 1 10 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.679 -0.188 18269 4307 1 10 . 1 1 7 7 PRO CA C 7 63.353 63.353 61.888 1.465 18269 4308 1 10 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.351 1.696 18269 4309 1 10 . 1 1 8 8 GLY N N 8 109.658 109.658 106.936 2.722 18269 4310 1 10 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.654 -0.566 18269 4311 1 10 . 1 1 8 8 GLY H H 8 8.660 8.660 8.080 0.580 18269 4312 1 10 . 1 1 9 9 ALA N N 9 123.995 123.995 120.999 2.996 18269 4313 1 10 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.508 -0.068 18269 4314 1 10 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.344 -0.547 18269 4315 1 10 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.065 0.214 18269 4316 1 10 . 1 1 9 9 ALA H H 9 8.200 8.200 7.422 0.778 18269 4317 1 10 . 1 1 10 10 ASP N N 10 119.834 119.834 120.058 -0.224 18269 4318 1 10 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.720 -0.063 18269 4319 1 10 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.578 -0.037 18269 4320 1 10 . 1 1 10 10 ASP CB C 10 41.506 41.506 43.078 -1.572 18269 4321 1 10 . 1 1 10 10 ASP H H 10 8.290 8.290 8.470 -0.180 18269 4322 1 10 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.534 0.096 18269 4323 1 10 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.563 -4.805 18269 4324 1 10 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.168 13.292 18269 4325 1 10 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.979 -0.015 18269 4326 1 10 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.323 1.054 18269 4327 1 10 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.353 1.902 18269 4328 1 10 . 1 1 13 13 VAL N N 13 117.224 117.224 118.859 -1.635 18269 4329 1 10 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.701 0.045 18269 4330 1 10 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.300 -1.254 18269 4331 1 10 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.486 -0.268 18269 4332 1 10 . 1 1 13 13 VAL H H 13 7.040 7.040 7.786 -0.746 18269 4333 1 10 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.174 -0.089 18269 4334 1 10 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.876 -0.430 18269 4335 1 10 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.509 15.710 18269 4336 1 10 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.018 0.041 18269 4337 1 10 . 1 1 15 15 LYS CA C 15 57.571 57.571 60.064 -2.493 18269 4338 1 10 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.142 0.108 18269 4339 1 10 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.128 0.203 18269 4340 1 10 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.665 -0.491 18269 4341 1 10 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.468 -0.062 18269 4342 1 10 . 1 1 16 16 GLU H H 16 8.098 8.098 8.636 -0.538 18269 4343 1 10 . 1 1 17 17 PHE N N 17 120.745 120.745 121.138 -0.393 18269 4344 1 10 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.319 -0.004 18269 4345 1 10 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.908 0.606 18269 4346 1 10 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.155 1.358 18269 4347 1 10 . 1 1 17 17 PHE H H 17 9.126 9.126 8.156 0.970 18269 4348 1 10 . 1 1 18 18 LEU N N 18 115.787 115.787 118.960 -3.173 18269 4349 1 10 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.700 0.443 18269 4350 1 10 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.158 -0.281 18269 4351 1 10 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.426 -0.474 18269 4352 1 10 . 1 1 18 18 LEU H H 18 8.505 8.505 8.374 0.131 18269 4353 1 10 . 1 1 19 19 ASN N N 19 117.635 117.635 117.494 0.141 18269 4354 1 10 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.367 0.509 18269 4355 1 10 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.850 -0.376 18269 4356 1 10 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.917 -0.589 18269 4357 1 10 . 1 1 19 19 ASN H H 19 8.405 8.405 8.334 0.071 18269 4358 1 10 . 1 1 20 20 ARG N N 20 122.851 122.851 118.754 4.097 18269 4359 1 10 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.092 0.025 18269 4360 1 10 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.459 0.830 18269 4361 1 10 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.113 0.342 18269 4362 1 10 . 1 1 20 20 ARG H H 20 8.325 8.325 8.264 0.061 18269 4363 1 10 . 1 1 21 21 PHE N N 21 121.774 121.774 121.962 -0.188 18269 4364 1 10 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.278 0.002 18269 4365 1 10 . 1 1 21 21 PHE CA C 21 59.011 59.011 61.027 -2.016 18269 4366 1 10 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.201 -0.190 18269 4367 1 10 . 1 1 21 21 PHE H H 21 8.438 8.438 8.497 -0.059 18269 4368 1 10 . 1 1 22 22 TYR N N 22 119.937 119.937 121.205 -1.268 18269 4369 1 10 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.759 0.030 18269 4370 1 10 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.881 -0.229 18269 4371 1 10 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.317 -0.043 18269 4372 1 10 . 1 1 22 22 TYR H H 22 8.708 8.708 8.375 0.333 18269 4373 1 10 . 1 1 23 23 LYS N N 23 116.431 116.431 117.435 -1.004 18269 4374 1 10 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.701 0.158 18269 4375 1 10 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.563 0.580 18269 4376 1 10 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.298 0.919 18269 4377 1 10 . 1 1 23 23 LYS H H 23 7.928 7.928 8.385 -0.457 18269 4378 1 10 . 1 1 24 24 SER N N 24 113.888 113.888 117.921 -4.033 18269 4379 1 10 . 1 1 24 24 SER HA H 24 4.325 4.325 4.128 0.197 18269 4380 1 10 . 1 1 24 24 SER CA C 24 61.016 61.016 62.623 -1.607 18269 4381 1 10 . 1 1 24 24 SER CB C 24 62.837 62.837 62.713 0.124 18269 4382 1 10 . 1 1 24 24 SER H H 24 7.665 7.665 7.724 -0.059 18269 4383 1 10 . 1 1 25 25 LEU N N 25 119.663 119.663 121.984 -2.321 18269 4384 1 10 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.789 -0.110 18269 4385 1 10 . 1 1 25 25 LEU CA C 25 57.505 57.505 58.179 -0.674 18269 4386 1 10 . 1 1 25 25 LEU CB C 25 41.902 41.902 40.900 1.002 18269 4387 1 10 . 1 1 25 25 LEU H H 25 7.573 7.573 7.840 -0.267 18269 4388 1 10 . 1 1 26 26 ILE N N 26 119.781 119.781 119.489 0.292 18269 4389 1 10 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.538 0.318 18269 4390 1 10 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.726 -0.177 18269 4391 1 10 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.537 0.768 18269 4392 1 10 . 1 1 26 26 ILE H H 26 8.094 8.094 7.433 0.661 18269 4393 1 10 . 1 1 27 27 ASP N N 27 122.421 122.421 119.875 2.546 18269 4394 1 10 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.403 -0.027 18269 4395 1 10 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.327 0.693 18269 4396 1 10 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.123 -1.043 18269 4397 1 10 . 1 1 27 27 ASP H H 27 9.091 9.091 7.909 1.182 18269 4398 1 10 . 1 1 28 28 ARG N N 28 115.349 115.349 117.598 -2.249 18269 4399 1 10 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.326 -0.021 18269 4400 1 10 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.511 -0.013 18269 4401 1 10 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.612 1.001 18269 4402 1 10 . 1 1 28 28 ARG H H 28 7.587 7.587 8.391 -0.804 18269 4403 1 10 . 1 1 29 29 GLY N N 29 109.999 109.999 108.148 1.851 18269 4404 1 10 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.492 1.169 18269 4405 1 10 . 1 1 29 29 GLY H H 29 7.909 7.909 7.472 0.437 18269 4406 1 10 . 1 1 30 30 VAL N N 30 118.740 118.740 116.525 2.215 18269 4407 1 10 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.448 -0.689 18269 4408 1 10 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.516 1.954 18269 4409 1 10 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.387 -0.061 18269 4410 1 10 . 1 1 30 30 VAL H H 30 7.701 7.701 7.944 -0.243 18269 4411 1 10 . 1 1 31 31 ASN N N 31 123.250 123.250 118.603 4.647 18269 4412 1 10 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.670 0.043 18269 4413 1 10 . 1 1 31 31 ASN CA C 31 53.488 53.488 51.998 1.490 18269 4414 1 10 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.866 -0.655 18269 4415 1 10 . 1 1 31 31 ASN H H 31 8.498 8.498 7.674 0.824 18269 4416 1 10 . 1 1 32 32 PHE N N 32 126.076 126.076 114.058 12.018 18269 4417 1 10 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.164 -0.026 18269 4418 1 10 . 1 1 32 32 PHE CA C 32 58.647 58.647 59.504 -0.857 18269 4419 1 10 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.490 -0.711 18269 4420 1 10 . 1 1 32 32 PHE H H 32 8.783 8.783 8.437 0.346 18269 4421 1 10 . 1 1 33 33 SER N N 33 115.958 115.958 114.089 1.869 18269 4422 1 10 . 1 1 33 33 SER HA H 33 4.736 4.736 4.707 0.029 18269 4423 1 10 . 1 1 33 33 SER CA C 33 56.745 56.745 57.369 -0.624 18269 4424 1 10 . 1 1 33 33 SER CB C 33 64.899 64.899 64.863 0.036 18269 4425 1 10 . 1 1 33 33 SER H H 33 7.699 7.699 7.724 -0.025 18269 4426 1 10 . 1 1 34 34 LEU N N 34 124.359 124.359 127.612 -3.253 18269 4427 1 10 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.108 -0.255 18269 4428 1 10 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.147 1.524 18269 4429 1 10 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.608 -0.062 18269 4430 1 10 . 1 1 34 34 LEU H H 34 8.935 8.935 8.850 0.085 18269 4431 1 10 . 1 1 35 35 ASP N N 35 115.345 115.345 116.972 -1.627 18269 4432 1 10 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.491 -0.113 18269 4433 1 10 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.736 -0.878 18269 4434 1 10 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.437 -0.277 18269 4435 1 10 . 1 1 35 35 ASP H H 35 8.575 8.575 8.611 -0.036 18269 4436 1 10 . 1 1 36 36 THR N N 36 116.789 116.789 117.250 -0.461 18269 4437 1 10 . 1 1 36 36 THR HA H 36 4.015 4.015 4.121 -0.106 18269 4438 1 10 . 1 1 36 36 THR CA C 36 66.069 66.069 66.791 -0.722 18269 4439 1 10 . 1 1 36 36 THR CB C 36 68.780 68.780 68.968 -0.188 18269 4440 1 10 . 1 1 36 36 THR H H 36 7.593 7.593 7.197 0.396 18269 4441 1 10 . 1 1 37 37 ILE N N 37 120.685 120.685 121.911 -1.226 18269 4442 1 10 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.798 -0.429 18269 4443 1 10 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.953 -0.153 18269 4444 1 10 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.707 -0.616 18269 4445 1 10 . 1 1 37 37 ILE H H 37 8.436 8.436 8.613 -0.177 18269 4446 1 10 . 1 1 38 38 GLU N N 38 118.792 118.792 119.148 -0.356 18269 4447 1 10 . 1 1 38 38 GLU HA H 38 3.678 3.678 4.069 -0.391 18269 4448 1 10 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.147 1.913 18269 4449 1 10 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.536 0.335 18269 4450 1 10 . 1 1 38 38 GLU H H 38 8.122 8.122 8.175 -0.053 18269 4451 1 10 . 1 1 39 39 LYS N N 39 116.986 116.986 119.734 -2.748 18269 4452 1 10 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.263 -0.302 18269 4453 1 10 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.519 1.228 18269 4454 1 10 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.433 -0.123 18269 4455 1 10 . 1 1 39 39 LYS H H 39 7.586 7.586 7.525 0.061 18269 4456 1 10 . 1 1 40 40 GLU N N 40 117.892 117.892 120.476 -2.584 18269 4457 1 10 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.249 -0.044 18269 4458 1 10 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.061 -0.702 18269 4459 1 10 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.477 -0.898 18269 4460 1 10 . 1 1 40 40 GLU H H 40 8.690 8.690 8.536 0.154 18269 4461 1 10 . 1 1 41 41 LEU N N 41 125.830 125.830 120.347 5.483 18269 4462 1 10 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.818 -0.271 18269 4463 1 10 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.269 -0.441 18269 4464 1 10 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.737 -1.399 18269 4465 1 10 . 1 1 41 41 LEU H H 41 8.978 8.978 8.397 0.581 18269 4466 1 10 . 1 1 42 42 ILE N N 42 119.900 119.900 117.929 1.971 18269 4467 1 10 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.944 -0.360 18269 4468 1 10 . 1 1 42 42 ILE CA C 42 65.832 65.832 64.549 1.283 18269 4469 1 10 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.957 -0.167 18269 4470 1 10 . 1 1 42 42 ILE H H 42 7.884 7.884 7.291 0.593 18269 4471 1 10 . 1 1 43 43 SER N N 43 114.071 114.071 115.974 -1.903 18269 4472 1 10 . 1 1 43 43 SER HA H 43 4.277 4.277 4.272 0.005 18269 4473 1 10 . 1 1 43 43 SER CA C 43 61.598 61.598 61.933 -0.335 18269 4474 1 10 . 1 1 43 43 SER CB C 43 62.767 62.767 63.585 -0.818 18269 4475 1 10 . 1 1 43 43 SER H H 43 7.791 7.791 8.159 -0.368 18269 4476 1 10 . 1 1 44 44 PHE N N 44 125.036 125.036 122.846 2.190 18269 4477 1 10 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.329 0.000 18269 4478 1 10 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.877 -0.620 18269 4479 1 10 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.522 1.109 18269 4480 1 10 . 1 1 44 44 PHE H H 44 9.060 9.060 8.915 0.145 18269 4481 1 10 . 1 1 45 45 CYS N N 45 112.824 112.824 117.357 -4.533 18269 4482 1 10 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.462 0.144 18269 4483 1 10 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.261 -3.025 18269 4484 1 10 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.133 16.490 18269 4485 1 10 . 1 1 45 45 CYS H H 45 8.254 8.254 8.189 0.065 18269 4486 1 10 . 1 1 46 46 LEU N N 46 123.875 123.875 119.177 4.698 18269 4487 1 10 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.330 -0.155 18269 4488 1 10 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.357 1.794 18269 4489 1 10 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.250 1.002 18269 4490 1 10 . 1 1 46 46 LEU H H 46 7.776 7.776 7.696 0.080 18269 4491 1 10 . 1 1 47 47 ASP N N 47 116.880 116.880 117.441 -0.561 18269 4492 1 10 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.529 0.381 18269 4493 1 10 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.645 -2.060 18269 4494 1 10 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.670 -1.295 18269 4495 1 10 . 1 1 47 47 ASP H H 47 7.852 7.852 7.694 0.158 18269 4496 1 10 . 1 1 48 48 THR N N 48 108.053 108.053 114.513 -6.460 18269 4497 1 10 . 1 1 48 48 THR HA H 48 4.461 4.461 4.217 0.244 18269 4498 1 10 . 1 1 48 48 THR CA C 48 60.844 60.844 61.935 -1.091 18269 4499 1 10 . 1 1 48 48 THR CB C 48 73.395 73.395 69.953 3.442 18269 4500 1 10 . 1 1 48 48 THR H H 48 7.139 7.139 7.613 -0.474 18269 4501 1 10 . 1 1 49 49 LYS N N 49 118.308 118.308 119.236 -0.928 18269 4502 1 10 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.540 0.178 18269 4503 1 10 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.550 -1.506 18269 4504 1 10 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.449 3.121 18269 4505 1 10 . 1 1 49 49 LYS H H 49 8.755 8.755 9.234 -0.479 18269 4506 1 10 . 1 1 50 50 GLY N N 50 108.996 108.996 110.440 -1.444 18269 4507 1 10 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.665 -0.822 18269 4508 1 10 . 1 1 50 50 GLY H H 50 8.866 8.866 8.652 0.214 18269 4509 1 10 . 1 1 51 51 LYS N N 51 126.155 126.155 122.198 3.957 18269 4510 1 10 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.127 -0.157 18269 4511 1 10 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.145 -1.035 18269 4512 1 10 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.297 0.322 18269 4513 1 10 . 1 1 51 51 LYS H H 51 9.254 9.254 8.740 0.514 18269 4514 1 10 . 1 1 52 52 GLU N N 52 116.496 116.496 118.946 -2.450 18269 4515 1 10 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.135 -0.612 18269 4516 1 10 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.145 0.245 18269 4517 1 10 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.619 -0.933 18269 4518 1 10 . 1 1 52 52 GLU H H 52 8.223 8.223 8.120 0.103 18269 4519 1 10 . 1 1 53 53 ASN N N 53 119.000 119.000 119.840 -0.840 18269 4520 1 10 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.785 -0.401 18269 4521 1 10 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.870 1.108 18269 4522 1 10 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.665 0.781 18269 4523 1 10 . 1 1 53 53 ASN H H 53 6.840 6.840 8.760 -1.920 18269 4524 1 10 . 1 1 54 54 ARG N N 54 118.480 118.480 119.680 -1.200 18269 4525 1 10 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.331 -0.562 18269 4526 1 10 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.992 -0.595 18269 4527 1 10 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.023 -1.283 18269 4528 1 10 . 1 1 54 54 ARG H H 54 7.456 7.456 8.334 -0.878 18269 4529 1 10 . 1 1 55 55 LEU N N 55 118.688 118.688 121.929 -3.241 18269 4530 1 10 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.068 -0.260 18269 4531 1 10 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.464 -0.005 18269 4532 1 10 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.812 -1.692 18269 4533 1 10 . 1 1 55 55 LEU H H 55 7.843 7.843 8.236 -0.393 18269 4534 1 10 . 1 1 56 56 CYS N N 56 115.905 115.905 116.194 -0.289 18269 4535 1 10 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.992 -0.119 18269 4536 1 10 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.640 1.397 18269 4537 1 10 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.648 17.257 18269 4538 1 10 . 1 1 56 56 CYS H H 56 7.752 7.752 7.816 -0.064 18269 4539 1 10 . 1 1 57 57 TYR N N 57 121.810 121.810 118.980 2.830 18269 4540 1 10 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.166 -0.023 18269 4541 1 10 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.373 -0.058 18269 4542 1 10 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.730 -0.676 18269 4543 1 10 . 1 1 57 57 TYR H H 57 7.911 7.911 8.089 -0.178 18269 4544 1 10 . 1 1 58 58 TYR N N 58 121.916 121.916 117.035 4.881 18269 4545 1 10 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.267 0.108 18269 4546 1 10 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.725 -1.716 18269 4547 1 10 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.743 -0.719 18269 4548 1 10 . 1 1 58 58 TYR H H 58 8.334 8.334 7.620 0.714 18269 4549 1 10 . 1 1 59 59 LEU N N 59 114.461 114.461 115.767 -1.306 18269 4550 1 10 . 1 1 59 59 LEU HA H 59 4.120 4.120 3.967 0.153 18269 4551 1 10 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.325 -1.096 18269 4552 1 10 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.961 0.084 18269 4553 1 10 . 1 1 59 59 LEU H H 59 8.079 8.079 8.135 -0.056 18269 4554 1 10 . 1 1 60 60 GLY N N 60 102.559 102.559 103.250 -0.691 18269 4555 1 10 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.104 0.468 18269 4556 1 10 . 1 1 60 60 GLY H H 60 7.562 7.562 7.913 -0.351 18269 4557 1 10 . 1 1 61 61 ALA N N 61 120.327 120.327 124.711 -4.384 18269 4558 1 10 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.429 -0.028 18269 4559 1 10 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.143 0.122 18269 4560 1 10 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.002 2.335 18269 4561 1 10 . 1 1 61 61 ALA H H 61 7.995 7.995 7.589 0.406 18269 4562 1 10 . 1 1 62 62 THR N N 62 106.895 106.895 113.713 -6.818 18269 4563 1 10 . 1 1 62 62 THR HA H 62 4.518 4.518 4.325 0.193 18269 4564 1 10 . 1 1 62 62 THR CA C 62 59.982 59.982 61.304 -1.322 18269 4565 1 10 . 1 1 62 62 THR CB C 62 70.540 70.540 71.140 -0.600 18269 4566 1 10 . 1 1 62 62 THR H H 62 7.156 7.156 7.624 -0.468 18269 4567 1 10 . 1 1 63 63 LYS N N 63 121.251 121.251 125.596 -4.345 18269 4568 1 10 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.320 -0.223 18269 4569 1 10 . 1 1 63 63 LYS CA C 63 58.272 58.272 56.972 1.300 18269 4570 1 10 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.160 -0.005 18269 4571 1 10 . 1 1 63 63 LYS H H 63 8.626 8.626 8.560 0.066 18269 4572 1 10 . 1 1 64 64 ASP N N 64 116.607 116.607 118.894 -2.287 18269 4573 1 10 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.789 -0.232 18269 4574 1 10 . 1 1 64 64 ASP CA C 64 53.902 53.902 53.659 0.243 18269 4575 1 10 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.336 -1.230 18269 4576 1 10 . 1 1 64 64 ASP H H 64 8.441 8.441 7.577 0.864 18269 4577 1 10 . 1 1 65 65 ALA N N 65 122.486 122.486 120.350 2.136 18269 4578 1 10 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.674 -0.589 18269 4579 1 10 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.644 1.905 18269 4580 1 10 . 1 1 65 65 ALA CB C 65 19.557 19.557 21.400 -1.843 18269 4581 1 10 . 1 1 65 65 ALA H H 65 7.368 7.368 7.314 0.054 18269 4582 1 10 . 1 1 66 66 ALA N N 66 124.171 124.171 121.738 2.433 18269 4583 1 10 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.421 0.023 18269 4584 1 10 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.016 0.455 18269 4585 1 10 . 1 1 66 66 ALA CB C 66 19.265 19.265 17.613 1.652 18269 4586 1 10 . 1 1 66 66 ALA H H 66 8.300 8.300 8.629 -0.329 18269 4587 1 10 . 1 1 67 67 THR N N 67 111.638 111.638 117.169 -5.531 18269 4588 1 10 . 1 1 67 67 THR HA H 67 4.496 4.496 4.237 0.259 18269 4589 1 10 . 1 1 67 67 THR CA C 67 60.881 60.881 64.301 -3.420 18269 4590 1 10 . 1 1 67 67 THR CB C 67 70.199 70.199 68.968 1.231 18269 4591 1 10 . 1 1 67 67 THR H H 67 7.730 7.730 8.076 -0.346 18269 4592 1 10 . 1 1 68 68 LYS N N 68 121.732 121.732 120.769 0.963 18269 4593 1 10 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.077 0.459 18269 4594 1 10 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.696 -2.134 18269 4595 1 10 . 1 1 68 68 LYS CB C 68 33.099 33.099 31.499 1.600 18269 4596 1 10 . 1 1 68 68 LYS H H 68 8.502 8.502 8.379 0.123 18269 4597 1 10 . 1 1 69 69 ILE HA H 69 4.339 4.339 4.186 0.153 18269 4598 1 10 . 1 1 69 69 ILE CA C 69 61.706 61.706 62.635 -0.929 18269 4599 1 10 . 1 1 69 69 ILE CB C 69 37.800 37.800 38.042 -0.242 18269 4600 1 10 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.248 -0.117 18269 4601 1 10 . 1 1 70 70 LEU CA C 70 58.616 58.616 56.437 2.179 18269 4602 1 10 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.874 -0.136 18269 4603 1 10 . 1 1 71 71 SER HA H 71 4.817 4.817 4.215 0.602 18269 4604 1 10 . 1 1 71 71 SER CA C 71 60.667 60.667 61.251 -0.584 18269 4605 1 10 . 1 1 71 71 SER CB C 71 62.646 62.646 62.815 -0.169 18269 4606 1 10 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.121 0.143 18269 4607 1 10 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.669 -2.040 18269 4608 1 10 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.371 -1.124 18269 4609 1 10 . 1 1 73 73 VAL N N 73 114.786 114.786 117.003 -2.217 18269 4610 1 10 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.028 0.074 18269 4611 1 10 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.233 -1.492 18269 4612 1 10 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.750 0.515 18269 4613 1 10 . 1 1 73 73 VAL H H 73 7.812 7.812 7.448 0.364 18269 4614 1 10 . 1 1 74 74 THR HA H 74 3.767 3.767 3.915 -0.148 18269 4615 1 10 . 1 1 74 74 THR CA C 74 65.584 65.584 66.282 -0.699 18269 4616 1 10 . 1 1 74 74 THR CB C 74 67.470 67.470 68.759 -1.289 18269 4617 1 10 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.290 -0.044 18269 4618 1 10 . 1 1 75 75 ARG CA C 75 61.383 61.383 59.961 1.422 18269 4619 1 10 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.904 0.716 18269 4620 1 10 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.357 0.128 18269 4621 1 10 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.463 0.233 18269 4622 1 10 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.598 -0.703 18269 4623 1 10 . 1 1 77 77 MET N N 77 117.583 117.583 113.860 3.723 18269 4624 1 10 . 1 1 77 77 MET HA H 77 4.684 4.684 4.465 0.218 18269 4625 1 10 . 1 1 77 77 MET CA C 77 59.347 59.347 55.886 3.461 18269 4626 1 10 . 1 1 77 77 MET CB C 77 32.996 32.996 31.406 1.590 18269 4627 1 10 . 1 1 77 77 MET H H 77 7.685 7.685 8.235 -0.550 18269 4628 1 10 . 1 1 78 78 SER N N 78 114.578 114.578 113.493 1.085 18269 4629 1 10 . 1 1 78 78 SER HA H 78 4.226 4.226 4.275 -0.049 18269 4630 1 10 . 1 1 78 78 SER CA C 78 61.922 61.922 60.155 1.767 18269 4631 1 10 . 1 1 78 78 SER CB C 78 62.406 62.406 63.240 -0.834 18269 4632 1 10 . 1 1 78 78 SER H H 78 8.285 8.285 7.687 0.598 18269 4633 1 10 . 1 1 79 79 VAL N N 79 111.248 111.248 118.585 -7.337 18269 4634 1 10 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.077 0.674 18269 4635 1 10 . 1 1 79 79 VAL CA C 79 60.126 60.126 63.092 -2.966 18269 4636 1 10 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.242 -3.896 18269 4637 1 10 . 1 1 79 79 VAL H H 79 7.004 7.004 7.359 -0.355 18269 4638 1 10 . 1 1 80 80 HIS N N 80 116.703 116.703 116.139 0.564 18269 4639 1 10 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.761 -0.645 18269 4640 1 10 . 1 1 80 80 HIS CA C 80 56.826 56.826 56.677 0.149 18269 4641 1 10 . 1 1 80 80 HIS CB C 80 25.889 25.889 30.949 -5.060 18269 4642 1 10 . 1 1 80 80 HIS H H 80 8.289 8.289 7.769 0.520 18269 4643 1 10 . 1 1 81 81 MET N N 81 120.978 120.978 117.002 3.976 18269 4644 1 10 . 1 1 81 81 MET HA H 81 4.512 4.512 4.416 0.096 18269 4645 1 10 . 1 1 81 81 MET CA C 81 55.007 55.007 55.998 -0.991 18269 4646 1 10 . 1 1 81 81 MET CB C 81 33.265 33.265 32.290 0.975 18269 4647 1 10 . 1 1 81 81 MET H H 81 8.006 8.006 8.686 -0.680 18269 4648 1 10 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.161 0.180 18269 4649 1 10 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.771 -1.535 18269 4650 1 10 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.646 2.017 18269 4651 1 10 . 1 1 83 83 ALA N N 83 126.545 126.545 122.622 3.923 18269 4652 1 10 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.777 0.169 18269 4653 1 10 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.768 1.205 18269 4654 1 10 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.046 1.429 18269 4655 1 10 . 1 1 83 83 ALA H H 83 9.196 9.196 7.948 1.248 18269 4656 1 10 . 1 1 84 84 MET N N 84 114.734 114.734 116.465 -1.731 18269 4657 1 10 . 1 1 84 84 MET HA H 84 4.024 4.024 4.378 -0.354 18269 4658 1 10 . 1 1 84 84 MET CA C 84 58.812 58.812 57.462 1.350 18269 4659 1 10 . 1 1 84 84 MET CB C 84 32.242 32.242 31.458 0.784 18269 4660 1 10 . 1 1 84 84 MET H H 84 9.289 9.289 7.595 1.694 18269 4661 1 10 . 1 1 85 85 LYS N N 85 116.490 116.490 119.904 -3.414 18269 4662 1 10 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.296 -0.122 18269 4663 1 10 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.703 -0.587 18269 4664 1 10 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.337 -0.544 18269 4665 1 10 . 1 1 85 85 LYS H H 85 6.997 6.997 8.617 -1.620 18269 4666 1 10 . 1 1 86 86 ILE N N 86 120.561 120.561 118.652 1.909 18269 4667 1 10 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.747 -0.132 18269 4668 1 10 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.280 1.998 18269 4669 1 10 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.722 -0.202 18269 4670 1 10 . 1 1 86 86 ILE H H 86 7.875 7.875 7.217 0.658 18269 4671 1 10 . 1 1 87 87 CYS N N 87 117.323 117.323 118.982 -1.659 18269 4672 1 10 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.195 -0.119 18269 4673 1 10 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.649 -0.589 18269 4674 1 10 . 1 1 87 87 CYS CB C 87 42.733 42.733 26.347 16.386 18269 4675 1 10 . 1 1 87 87 CYS H H 87 8.643 8.643 7.872 0.771 18269 4676 1 10 . 1 1 88 88 GLU N N 88 118.070 118.070 121.128 -3.058 18269 4677 1 10 . 1 1 88 88 GLU HA H 88 3.948 3.948 3.900 0.048 18269 4678 1 10 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.013 0.750 18269 4679 1 10 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.240 0.524 18269 4680 1 10 . 1 1 88 88 GLU H H 88 8.045 8.045 7.817 0.228 18269 4681 1 10 . 1 1 89 89 LYS N N 89 119.719 119.719 119.767 -0.048 18269 4682 1 10 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.071 0.067 18269 4683 1 10 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.737 0.393 18269 4684 1 10 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.224 -0.521 18269 4685 1 10 . 1 1 89 89 LYS H H 89 7.530 7.530 8.314 -0.784 18269 4686 1 10 . 1 1 90 90 LEU N N 90 119.550 119.550 119.110 0.440 18269 4687 1 10 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.018 -0.053 18269 4688 1 10 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.397 -0.054 18269 4689 1 10 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.739 -0.748 18269 4690 1 10 . 1 1 90 90 LEU H H 90 8.422 8.422 7.820 0.602 18269 4691 1 10 . 1 1 91 91 LYS N N 91 119.180 119.180 118.259 0.921 18269 4692 1 10 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.507 -0.645 18269 4693 1 10 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.434 0.171 18269 4694 1 10 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.133 0.344 18269 4695 1 10 . 1 1 91 91 LYS H H 91 8.218 8.218 7.693 0.525 18269 4696 1 10 . 1 1 92 92 LYS N N 92 113.632 113.632 117.954 -4.322 18269 4697 1 10 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.169 -0.116 18269 4698 1 10 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.746 -1.188 18269 4699 1 10 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.055 -0.121 18269 4700 1 10 . 1 1 92 92 LYS H H 92 6.984 6.984 7.364 -0.380 18269 4701 1 10 . 1 1 93 93 LEU N N 93 119.104 119.104 119.724 -0.620 18269 4702 1 10 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.353 -0.063 18269 4703 1 10 . 1 1 93 93 LEU CA C 93 56.104 56.104 55.983 0.121 18269 4704 1 10 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.206 -1.104 18269 4705 1 10 . 1 1 93 93 LEU H H 93 7.456 7.456 7.672 -0.216 18269 4706 1 10 . 1 1 94 94 ASP N N 94 116.790 116.790 116.532 0.258 18269 4707 1 10 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.886 -0.330 18269 4708 1 10 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.059 1.307 18269 4709 1 10 . 1 1 94 94 ASP CB C 94 41.173 41.173 44.425 -3.252 18269 4710 1 10 . 1 1 94 94 ASP H H 94 7.911 7.911 8.043 -0.132 18269 4711 1 10 . 1 1 95 95 SER N N 95 122.399 122.399 119.517 2.882 18269 4712 1 10 . 1 1 95 95 SER HA H 95 4.186 4.186 4.393 -0.207 18269 4713 1 10 . 1 1 95 95 SER CA C 95 61.472 61.472 60.508 0.964 18269 4714 1 10 . 1 1 95 95 SER CB C 95 62.568 62.568 63.688 -1.120 18269 4715 1 10 . 1 1 95 95 SER H H 95 8.894 8.894 8.792 0.102 18269 4716 1 10 . 1 1 96 96 GLN N N 96 120.800 120.800 121.887 -1.087 18269 4717 1 10 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.220 -0.358 18269 4718 1 10 . 1 1 96 96 GLN CA C 96 58.151 58.151 56.971 1.180 18269 4719 1 10 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.599 -0.182 18269 4720 1 10 . 1 1 96 96 GLN H H 96 8.610 8.610 8.309 0.301 18269 4721 1 10 . 1 1 97 97 ILE N N 97 117.387 117.387 119.633 -2.246 18269 4722 1 10 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.564 -0.165 18269 4723 1 10 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.158 2.673 18269 4724 1 10 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.087 0.187 18269 4725 1 10 . 1 1 97 97 ILE H H 97 7.470 7.470 7.837 -0.367 18269 4726 1 10 . 1 1 98 98 CYS N N 98 113.485 113.485 113.914 -0.429 18269 4727 1 10 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.483 0.588 18269 4728 1 10 . 1 1 98 98 CYS CA C 98 61.973 61.973 58.680 3.293 18269 4729 1 10 . 1 1 98 98 CYS CB C 98 48.586 48.586 28.079 20.507 18269 4730 1 10 . 1 1 98 98 CYS H H 98 7.410 7.410 7.629 -0.219 18269 4731 1 10 . 1 1 99 99 GLU N N 99 119.123 119.123 123.409 -4.286 18269 4732 1 10 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.074 0.249 18269 4733 1 10 . 1 1 99 99 GLU CA C 99 56.726 56.726 57.476 -0.750 18269 4734 1 10 . 1 1 99 99 GLU CB C 99 29.979 29.979 29.410 0.569 18269 4735 1 10 . 1 1 99 99 GLU H H 99 7.308 7.308 7.323 -0.015 18269 4736 1 10 . 1 1 100 100 LEU N N 100 115.771 115.771 117.036 -1.265 18269 4737 1 10 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.825 0.472 18269 4738 1 10 . 1 1 100 100 LEU CA C 100 55.682 55.682 54.572 1.110 18269 4739 1 10 . 1 1 100 100 LEU CB C 100 42.961 42.961 40.108 2.853 18269 4740 1 10 . 1 1 100 100 LEU H H 100 6.496 6.496 8.204 -1.708 18269 4741 1 10 . 1 1 101 101 LYS N N 101 125.672 125.672 116.668 9.004 18269 4742 1 10 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.868 0.726 18269 4743 1 10 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.600 -1.250 18269 4744 1 10 . 1 1 101 101 LYS CB C 101 35.723 35.723 32.372 3.351 18269 4745 1 10 . 1 1 101 101 LYS H H 101 8.575 8.575 7.819 0.756 18269 4746 1 10 . 1 1 102 102 TYR N N 102 120.395 120.395 124.166 -3.771 18269 4747 1 10 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.260 0.122 18269 4748 1 10 . 1 1 102 102 TYR CA C 102 60.024 60.024 61.236 -1.212 18269 4749 1 10 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.690 -0.362 18269 4750 1 10 . 1 1 102 102 TYR H H 102 8.756 8.756 8.384 0.372 18269 4751 1 10 . 1 1 103 103 GLU N N 103 121.550 121.550 118.893 2.657 18269 4752 1 10 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.537 -0.145 18269 4753 1 10 . 1 1 103 103 GLU CA C 103 56.327 56.327 56.319 0.008 18269 4754 1 10 . 1 1 103 103 GLU CB C 103 30.302 30.302 28.561 1.741 18269 4755 1 10 . 1 1 103 103 GLU H H 103 8.835 8.835 8.560 0.275 18269 4756 1 10 . 1 1 104 104 LYS N N 104 122.957 122.957 116.217 6.740 18269 4757 1 10 . 1 1 104 104 LYS HA H 104 4.461 4.461 3.984 0.477 18269 4758 1 10 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.521 -1.247 18269 4759 1 10 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.651 1.396 18269 4760 1 10 . 1 1 104 104 LYS H H 104 8.490 8.490 8.639 -0.149 18269 4761 1 11 . 1 1 2 2 GLU N N 2 121.590 121.590 118.045 3.545 18269 4762 1 11 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.766 -0.472 18269 4763 1 11 . 1 1 2 2 GLU CA C 2 56.517 56.517 55.987 0.530 18269 4764 1 11 . 1 1 2 2 GLU CB C 2 30.151 30.151 31.467 -1.316 18269 4765 1 11 . 1 1 2 2 GLU H H 2 8.621 8.621 7.995 0.626 18269 4766 1 11 . 1 1 3 3 ALA N N 3 125.815 125.815 126.786 -0.971 18269 4767 1 11 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.463 -0.097 18269 4768 1 11 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.938 -0.281 18269 4769 1 11 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.001 -1.054 18269 4770 1 11 . 1 1 3 3 ALA H H 3 8.598 8.598 9.222 -0.624 18269 4771 1 11 . 1 1 4 4 GLY N N 4 108.386 108.386 108.115 0.271 18269 4772 1 11 . 1 1 4 4 GLY CA C 4 45.137 45.137 46.826 -1.689 18269 4773 1 11 . 1 1 4 4 GLY H H 4 8.487 8.487 8.150 0.337 18269 4774 1 11 . 1 1 5 5 GLY N N 5 108.367 108.367 112.435 -4.068 18269 4775 1 11 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.970 -0.216 18269 4776 1 11 . 1 1 5 5 GLY H H 5 8.274 8.274 8.489 -0.215 18269 4777 1 11 . 1 1 6 6 ARG N N 6 121.577 121.577 121.346 0.231 18269 4778 1 11 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.567 0.108 18269 4779 1 11 . 1 1 6 6 ARG CA C 6 53.881 53.881 53.317 0.564 18269 4780 1 11 . 1 1 6 6 ARG CB C 6 30.135 30.135 30.863 -0.728 18269 4781 1 11 . 1 1 6 6 ARG H H 6 8.297 8.297 8.062 0.235 18269 4782 1 11 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.655 -0.164 18269 4783 1 11 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.219 1.134 18269 4784 1 11 . 1 1 7 7 PRO CB C 7 32.047 32.047 32.278 -0.231 18269 4785 1 11 . 1 1 8 8 GLY N N 8 109.658 109.658 109.393 0.265 18269 4786 1 11 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.700 -0.612 18269 4787 1 11 . 1 1 8 8 GLY H H 8 8.660 8.660 8.657 0.003 18269 4788 1 11 . 1 1 9 9 ALA N N 9 123.995 123.995 121.243 2.752 18269 4789 1 11 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.572 -0.132 18269 4790 1 11 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.950 -1.153 18269 4791 1 11 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.512 -0.233 18269 4792 1 11 . 1 1 9 9 ALA H H 9 8.200 8.200 7.930 0.270 18269 4793 1 11 . 1 1 10 10 ASP N N 10 119.834 119.834 117.284 2.550 18269 4794 1 11 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.689 -0.032 18269 4795 1 11 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.393 -0.853 18269 4796 1 11 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.734 -0.228 18269 4797 1 11 . 1 1 10 10 ASP H H 10 8.290 8.290 8.206 0.084 18269 4798 1 11 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.414 0.216 18269 4799 1 11 . 1 1 11 11 CYS CA C 11 54.758 54.758 60.986 -6.229 18269 4800 1 11 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.448 13.012 18269 4801 1 11 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.344 -0.380 18269 4802 1 11 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.031 4.346 18269 4803 1 11 . 1 1 12 12 GLU CB C 12 31.255 31.255 30.156 1.099 18269 4804 1 11 . 1 1 13 13 VAL N N 13 117.224 117.224 120.989 -3.765 18269 4805 1 11 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.782 -0.036 18269 4806 1 11 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.081 -2.034 18269 4807 1 11 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.191 0.027 18269 4808 1 11 . 1 1 13 13 VAL H H 13 7.040 7.040 8.554 -1.514 18269 4809 1 11 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.233 -0.148 18269 4810 1 11 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.685 -1.240 18269 4811 1 11 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.148 15.070 18269 4812 1 11 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.137 -0.078 18269 4813 1 11 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.511 -1.940 18269 4814 1 11 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.805 0.445 18269 4815 1 11 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.150 0.181 18269 4816 1 11 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.405 -0.231 18269 4817 1 11 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.423 -0.017 18269 4818 1 11 . 1 1 16 16 GLU H H 16 8.098 8.098 8.574 -0.476 18269 4819 1 11 . 1 1 17 17 PHE N N 17 120.745 120.745 121.459 -0.714 18269 4820 1 11 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.419 -0.104 18269 4821 1 11 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.157 0.357 18269 4822 1 11 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.303 1.210 18269 4823 1 11 . 1 1 17 17 PHE H H 17 9.126 9.126 8.210 0.916 18269 4824 1 11 . 1 1 18 18 LEU N N 18 115.787 115.787 119.194 -3.407 18269 4825 1 11 . 1 1 18 18 LEU HA H 18 4.143 4.143 4.041 0.102 18269 4826 1 11 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.346 -0.469 18269 4827 1 11 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.647 -0.695 18269 4828 1 11 . 1 1 18 18 LEU H H 18 8.505 8.505 8.246 0.259 18269 4829 1 11 . 1 1 19 19 ASN N N 19 117.635 117.635 117.099 0.536 18269 4830 1 11 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.514 0.362 18269 4831 1 11 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.511 -0.037 18269 4832 1 11 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.976 -0.648 18269 4833 1 11 . 1 1 19 19 ASN H H 19 8.405 8.405 8.217 0.188 18269 4834 1 11 . 1 1 20 20 ARG N N 20 122.851 122.851 120.578 2.273 18269 4835 1 11 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.026 0.091 18269 4836 1 11 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.316 0.973 18269 4837 1 11 . 1 1 20 20 ARG CB C 20 30.455 30.455 29.892 0.563 18269 4838 1 11 . 1 1 20 20 ARG H H 20 8.325 8.325 8.451 -0.126 18269 4839 1 11 . 1 1 21 21 PHE N N 21 121.774 121.774 119.522 2.252 18269 4840 1 11 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.028 0.252 18269 4841 1 11 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.302 -1.291 18269 4842 1 11 . 1 1 21 21 PHE CB C 21 38.011 38.011 37.993 0.018 18269 4843 1 11 . 1 1 21 21 PHE H H 21 8.438 8.438 8.193 0.245 18269 4844 1 11 . 1 1 22 22 TYR N N 22 119.937 119.937 119.173 0.764 18269 4845 1 11 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.671 0.118 18269 4846 1 11 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.750 -1.098 18269 4847 1 11 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.294 -0.021 18269 4848 1 11 . 1 1 22 22 TYR H H 22 8.708 8.708 8.086 0.622 18269 4849 1 11 . 1 1 23 23 LYS N N 23 116.431 116.431 117.381 -0.950 18269 4850 1 11 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.083 -0.225 18269 4851 1 11 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.733 0.410 18269 4852 1 11 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.660 0.557 18269 4853 1 11 . 1 1 23 23 LYS H H 23 7.928 7.928 7.886 0.042 18269 4854 1 11 . 1 1 24 24 SER N N 24 113.888 113.888 117.004 -3.116 18269 4855 1 11 . 1 1 24 24 SER HA H 24 4.325 4.325 4.494 -0.169 18269 4856 1 11 . 1 1 24 24 SER CA C 24 61.016 61.016 60.961 0.055 18269 4857 1 11 . 1 1 24 24 SER CB C 24 62.837 62.837 62.780 0.057 18269 4858 1 11 . 1 1 24 24 SER H H 24 7.665 7.665 8.302 -0.637 18269 4859 1 11 . 1 1 25 25 LEU N N 25 119.663 119.663 123.326 -3.663 18269 4860 1 11 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.939 -0.260 18269 4861 1 11 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.981 -0.476 18269 4862 1 11 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.317 0.585 18269 4863 1 11 . 1 1 25 25 LEU H H 25 7.573 7.573 7.960 -0.387 18269 4864 1 11 . 1 1 26 26 ILE N N 26 119.781 119.781 119.167 0.614 18269 4865 1 11 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.581 0.275 18269 4866 1 11 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.721 -0.172 18269 4867 1 11 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.311 0.994 18269 4868 1 11 . 1 1 26 26 ILE H H 26 8.094 8.094 7.667 0.427 18269 4869 1 11 . 1 1 27 27 ASP N N 27 122.421 122.421 120.178 2.243 18269 4870 1 11 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.347 0.029 18269 4871 1 11 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.777 0.243 18269 4872 1 11 . 1 1 27 27 ASP CB C 27 40.080 40.080 40.586 -0.505 18269 4873 1 11 . 1 1 27 27 ASP H H 27 9.091 9.091 8.472 0.619 18269 4874 1 11 . 1 1 28 28 ARG N N 28 115.349 115.349 117.205 -1.856 18269 4875 1 11 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.176 0.129 18269 4876 1 11 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.825 -0.327 18269 4877 1 11 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.661 0.952 18269 4878 1 11 . 1 1 28 28 ARG H H 28 7.587 7.587 8.217 -0.630 18269 4879 1 11 . 1 1 29 29 GLY N N 29 109.999 109.999 107.710 2.289 18269 4880 1 11 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.179 1.482 18269 4881 1 11 . 1 1 29 29 GLY H H 29 7.909 7.909 7.895 0.014 18269 4882 1 11 . 1 1 30 30 VAL N N 30 118.740 118.740 120.235 -1.495 18269 4883 1 11 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.449 -0.690 18269 4884 1 11 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.835 1.635 18269 4885 1 11 . 1 1 30 30 VAL CB C 30 32.326 32.326 31.492 0.834 18269 4886 1 11 . 1 1 30 30 VAL H H 30 7.701 7.701 8.186 -0.485 18269 4887 1 11 . 1 1 31 31 ASN N N 31 123.250 123.250 124.689 -1.439 18269 4888 1 11 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.704 0.009 18269 4889 1 11 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.428 1.060 18269 4890 1 11 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.809 -0.598 18269 4891 1 11 . 1 1 31 31 ASN H H 31 8.498 8.498 8.073 0.425 18269 4892 1 11 . 1 1 32 32 PHE N N 32 126.076 126.076 118.118 7.958 18269 4893 1 11 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.203 -0.065 18269 4894 1 11 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.493 -1.846 18269 4895 1 11 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.359 -1.580 18269 4896 1 11 . 1 1 32 32 PHE H H 32 8.783 8.783 8.926 -0.143 18269 4897 1 11 . 1 1 33 33 SER N N 33 115.958 115.958 117.941 -1.983 18269 4898 1 11 . 1 1 33 33 SER HA H 33 4.736 4.736 4.404 0.332 18269 4899 1 11 . 1 1 33 33 SER CA C 33 56.745 56.745 58.406 -1.661 18269 4900 1 11 . 1 1 33 33 SER CB C 33 64.899 64.899 63.746 1.153 18269 4901 1 11 . 1 1 33 33 SER H H 33 7.699 7.699 8.269 -0.570 18269 4902 1 11 . 1 1 34 34 LEU N N 34 124.359 124.359 128.506 -4.147 18269 4903 1 11 . 1 1 34 34 LEU HA H 34 3.853 3.853 3.998 -0.145 18269 4904 1 11 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.255 1.415 18269 4905 1 11 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.176 0.370 18269 4906 1 11 . 1 1 34 34 LEU H H 34 8.935 8.935 8.808 0.127 18269 4907 1 11 . 1 1 35 35 ASP N N 35 115.345 115.345 116.177 -0.832 18269 4908 1 11 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.402 -0.024 18269 4909 1 11 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.179 -0.321 18269 4910 1 11 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.791 -0.631 18269 4911 1 11 . 1 1 35 35 ASP H H 35 8.575 8.575 8.704 -0.129 18269 4912 1 11 . 1 1 36 36 THR N N 36 116.789 116.789 115.972 0.817 18269 4913 1 11 . 1 1 36 36 THR HA H 36 4.015 4.015 4.170 -0.154 18269 4914 1 11 . 1 1 36 36 THR CA C 36 66.069 66.069 66.705 -0.636 18269 4915 1 11 . 1 1 36 36 THR CB C 36 68.780 68.780 68.932 -0.152 18269 4916 1 11 . 1 1 36 36 THR H H 36 7.593 7.593 7.239 0.354 18269 4917 1 11 . 1 1 37 37 ILE N N 37 120.685 120.685 121.506 -0.821 18269 4918 1 11 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.681 -0.312 18269 4919 1 11 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.638 0.162 18269 4920 1 11 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.115 -0.024 18269 4921 1 11 . 1 1 37 37 ILE H H 37 8.436 8.436 8.485 -0.049 18269 4922 1 11 . 1 1 38 38 GLU N N 38 118.792 118.792 119.884 -1.092 18269 4923 1 11 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.985 -0.307 18269 4924 1 11 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.892 1.168 18269 4925 1 11 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.413 0.458 18269 4926 1 11 . 1 1 38 38 GLU H H 38 8.122 8.122 8.061 0.061 18269 4927 1 11 . 1 1 39 39 LYS N N 39 116.986 116.986 118.794 -1.808 18269 4928 1 11 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.170 -0.209 18269 4929 1 11 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.372 1.374 18269 4930 1 11 . 1 1 39 39 LYS CB C 39 32.310 32.310 31.970 0.341 18269 4931 1 11 . 1 1 39 39 LYS H H 39 7.586 7.586 7.625 -0.039 18269 4932 1 11 . 1 1 40 40 GLU N N 40 117.892 117.892 120.064 -2.172 18269 4933 1 11 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.255 -0.050 18269 4934 1 11 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.025 -0.666 18269 4935 1 11 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.450 -0.871 18269 4936 1 11 . 1 1 40 40 GLU H H 40 8.690 8.690 8.349 0.341 18269 4937 1 11 . 1 1 41 41 LEU N N 41 125.830 125.830 120.634 5.196 18269 4938 1 11 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.353 0.194 18269 4939 1 11 . 1 1 41 41 LEU CA C 41 57.828 57.828 57.362 0.466 18269 4940 1 11 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.736 -1.398 18269 4941 1 11 . 1 1 41 41 LEU H H 41 8.978 8.978 8.305 0.673 18269 4942 1 11 . 1 1 42 42 ILE N N 42 119.900 119.900 119.043 0.857 18269 4943 1 11 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.829 -0.245 18269 4944 1 11 . 1 1 42 42 ILE CA C 42 65.832 65.832 64.508 1.323 18269 4945 1 11 . 1 1 42 42 ILE CB C 42 37.790 37.790 38.166 -0.376 18269 4946 1 11 . 1 1 42 42 ILE H H 42 7.884 7.884 7.451 0.433 18269 4947 1 11 . 1 1 43 43 SER N N 43 114.071 114.071 116.265 -2.194 18269 4948 1 11 . 1 1 43 43 SER HA H 43 4.277 4.277 4.117 0.160 18269 4949 1 11 . 1 1 43 43 SER CA C 43 61.598 61.598 61.880 -0.282 18269 4950 1 11 . 1 1 43 43 SER CB C 43 62.767 62.767 63.272 -0.505 18269 4951 1 11 . 1 1 43 43 SER H H 43 7.791 7.791 8.335 -0.544 18269 4952 1 11 . 1 1 44 44 PHE N N 44 125.036 125.036 120.090 4.946 18269 4953 1 11 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.296 0.033 18269 4954 1 11 . 1 1 44 44 PHE CA C 44 61.257 61.257 62.011 -0.754 18269 4955 1 11 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.480 1.151 18269 4956 1 11 . 1 1 44 44 PHE H H 44 9.060 9.060 8.739 0.321 18269 4957 1 11 . 1 1 45 45 CYS N N 45 112.824 112.824 115.961 -3.137 18269 4958 1 11 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.933 -0.327 18269 4959 1 11 . 1 1 45 45 CYS CA C 45 59.236 59.236 58.258 0.978 18269 4960 1 11 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.450 16.173 18269 4961 1 11 . 1 1 45 45 CYS H H 45 8.254 8.254 8.238 0.016 18269 4962 1 11 . 1 1 46 46 LEU N N 46 123.875 123.875 121.471 2.404 18269 4963 1 11 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.258 -0.083 18269 4964 1 11 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.966 1.185 18269 4965 1 11 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.076 0.176 18269 4966 1 11 . 1 1 46 46 LEU H H 46 7.776 7.776 8.230 -0.454 18269 4967 1 11 . 1 1 47 47 ASP N N 47 116.880 116.880 117.513 -0.633 18269 4968 1 11 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.572 0.338 18269 4969 1 11 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.596 -2.011 18269 4970 1 11 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.773 -1.398 18269 4971 1 11 . 1 1 47 47 ASP H H 47 7.852 7.852 7.792 0.060 18269 4972 1 11 . 1 1 48 48 THR N N 48 108.053 108.053 112.479 -4.426 18269 4973 1 11 . 1 1 48 48 THR HA H 48 4.461 4.461 4.178 0.283 18269 4974 1 11 . 1 1 48 48 THR CA C 48 60.844 60.844 61.870 -1.026 18269 4975 1 11 . 1 1 48 48 THR CB C 48 73.395 73.395 70.002 3.393 18269 4976 1 11 . 1 1 48 48 THR H H 48 7.139 7.139 7.300 -0.161 18269 4977 1 11 . 1 1 49 49 LYS N N 49 118.308 118.308 119.419 -1.111 18269 4978 1 11 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.546 0.172 18269 4979 1 11 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.250 -1.206 18269 4980 1 11 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.959 2.611 18269 4981 1 11 . 1 1 49 49 LYS H H 49 8.755 8.755 9.218 -0.463 18269 4982 1 11 . 1 1 50 50 GLY N N 50 108.996 108.996 109.888 -0.892 18269 4983 1 11 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.641 -0.798 18269 4984 1 11 . 1 1 50 50 GLY H H 50 8.866 8.866 8.643 0.223 18269 4985 1 11 . 1 1 51 51 LYS N N 51 126.155 126.155 121.852 4.303 18269 4986 1 11 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.093 -0.123 18269 4987 1 11 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.074 -0.964 18269 4988 1 11 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.226 0.393 18269 4989 1 11 . 1 1 51 51 LYS H H 51 9.254 9.254 8.619 0.635 18269 4990 1 11 . 1 1 52 52 GLU N N 52 116.496 116.496 118.629 -2.133 18269 4991 1 11 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.135 -0.612 18269 4992 1 11 . 1 1 52 52 GLU CA C 52 59.390 59.390 58.986 0.404 18269 4993 1 11 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.650 -0.964 18269 4994 1 11 . 1 1 52 52 GLU H H 52 8.223 8.223 8.041 0.182 18269 4995 1 11 . 1 1 53 53 ASN N N 53 119.000 119.000 119.825 -0.825 18269 4996 1 11 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.662 -0.278 18269 4997 1 11 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.894 1.084 18269 4998 1 11 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.635 0.812 18269 4999 1 11 . 1 1 53 53 ASN H H 53 6.840 6.840 8.635 -1.795 18269 5000 1 11 . 1 1 54 54 ARG N N 54 118.480 118.480 119.930 -1.450 18269 5001 1 11 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.082 -0.313 18269 5002 1 11 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.954 -0.557 18269 5003 1 11 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.806 -1.066 18269 5004 1 11 . 1 1 54 54 ARG H H 54 7.456 7.456 8.001 -0.545 18269 5005 1 11 . 1 1 55 55 LEU N N 55 118.688 118.688 119.297 -0.609 18269 5006 1 11 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.194 -0.386 18269 5007 1 11 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.009 0.450 18269 5008 1 11 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.789 -1.669 18269 5009 1 11 . 1 1 55 55 LEU H H 55 7.843 7.843 7.725 0.118 18269 5010 1 11 . 1 1 56 56 CYS N N 56 115.905 115.905 117.272 -1.367 18269 5011 1 11 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.905 -0.032 18269 5012 1 11 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.575 1.462 18269 5013 1 11 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.316 16.589 18269 5014 1 11 . 1 1 56 56 CYS H H 56 7.752 7.752 7.557 0.195 18269 5015 1 11 . 1 1 57 57 TYR N N 57 121.810 121.810 117.615 4.195 18269 5016 1 11 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.011 0.132 18269 5017 1 11 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.053 0.262 18269 5018 1 11 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.502 -0.448 18269 5019 1 11 . 1 1 57 57 TYR H H 57 7.911 7.911 7.587 0.324 18269 5020 1 11 . 1 1 58 58 TYR N N 58 121.916 121.916 116.720 5.196 18269 5021 1 11 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.417 -0.042 18269 5022 1 11 . 1 1 58 58 TYR CA C 58 59.009 59.009 59.058 -0.049 18269 5023 1 11 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.320 -0.296 18269 5024 1 11 . 1 1 58 58 TYR H H 58 8.334 8.334 7.190 1.144 18269 5025 1 11 . 1 1 59 59 LEU N N 59 114.461 114.461 115.486 -1.025 18269 5026 1 11 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.085 0.035 18269 5027 1 11 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.785 -0.556 18269 5028 1 11 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.173 -0.128 18269 5029 1 11 . 1 1 59 59 LEU H H 59 8.079 8.079 7.885 0.194 18269 5030 1 11 . 1 1 60 60 GLY N N 60 102.559 102.559 103.725 -1.166 18269 5031 1 11 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.453 0.119 18269 5032 1 11 . 1 1 60 60 GLY H H 60 7.562 7.562 7.603 -0.041 18269 5033 1 11 . 1 1 61 61 ALA N N 61 120.327 120.327 123.212 -2.885 18269 5034 1 11 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.267 0.134 18269 5035 1 11 . 1 1 61 61 ALA CA C 61 51.265 51.265 52.798 -1.533 18269 5036 1 11 . 1 1 61 61 ALA CB C 61 20.337 20.337 19.320 1.017 18269 5037 1 11 . 1 1 61 61 ALA H H 61 7.995 7.995 7.580 0.415 18269 5038 1 11 . 1 1 62 62 THR N N 62 106.895 106.895 115.045 -8.150 18269 5039 1 11 . 1 1 62 62 THR HA H 62 4.518 4.518 4.010 0.508 18269 5040 1 11 . 1 1 62 62 THR CA C 62 59.982 59.982 62.815 -2.833 18269 5041 1 11 . 1 1 62 62 THR CB C 62 70.540 70.540 68.727 1.813 18269 5042 1 11 . 1 1 62 62 THR H H 62 7.156 7.156 7.311 -0.155 18269 5043 1 11 . 1 1 63 63 LYS N N 63 121.251 121.251 124.356 -3.105 18269 5044 1 11 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.227 -0.130 18269 5045 1 11 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.100 1.172 18269 5046 1 11 . 1 1 63 63 LYS CB C 63 32.155 32.155 31.161 0.994 18269 5047 1 11 . 1 1 63 63 LYS H H 63 8.626 8.626 8.524 0.102 18269 5048 1 11 . 1 1 64 64 ASP N N 64 116.607 116.607 119.488 -2.881 18269 5049 1 11 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.726 -0.169 18269 5050 1 11 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.564 -0.662 18269 5051 1 11 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.270 -1.164 18269 5052 1 11 . 1 1 64 64 ASP H H 64 8.441 8.441 7.986 0.455 18269 5053 1 11 . 1 1 65 65 ALA N N 65 122.486 122.486 120.457 2.029 18269 5054 1 11 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.644 -0.559 18269 5055 1 11 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.867 1.682 18269 5056 1 11 . 1 1 65 65 ALA CB C 65 19.557 19.557 21.047 -1.490 18269 5057 1 11 . 1 1 65 65 ALA H H 65 7.368 7.368 7.453 -0.085 18269 5058 1 11 . 1 1 66 66 ALA N N 66 124.171 124.171 122.445 1.726 18269 5059 1 11 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.479 -0.035 18269 5060 1 11 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.306 0.165 18269 5061 1 11 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.143 0.122 18269 5062 1 11 . 1 1 66 66 ALA H H 66 8.300 8.300 8.544 -0.244 18269 5063 1 11 . 1 1 67 67 THR N N 67 111.638 111.638 117.124 -5.486 18269 5064 1 11 . 1 1 67 67 THR HA H 67 4.496 4.496 4.129 0.367 18269 5065 1 11 . 1 1 67 67 THR CA C 67 60.881 60.881 64.527 -3.646 18269 5066 1 11 . 1 1 67 67 THR CB C 67 70.199 70.199 69.104 1.095 18269 5067 1 11 . 1 1 67 67 THR H H 67 7.730 7.730 8.488 -0.758 18269 5068 1 11 . 1 1 68 68 LYS N N 68 121.732 121.732 121.542 0.190 18269 5069 1 11 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.264 0.272 18269 5070 1 11 . 1 1 68 68 LYS CA C 68 56.562 56.562 57.780 -1.218 18269 5071 1 11 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.406 0.693 18269 5072 1 11 . 1 1 68 68 LYS H H 68 8.502 8.502 8.049 0.453 18269 5073 1 11 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.889 0.450 18269 5074 1 11 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.509 -1.803 18269 5075 1 11 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.235 0.565 18269 5076 1 11 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.037 0.094 18269 5077 1 11 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.678 0.938 18269 5078 1 11 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.887 -0.149 18269 5079 1 11 . 1 1 71 71 SER HA H 71 4.817 4.817 4.239 0.578 18269 5080 1 11 . 1 1 71 71 SER CA C 71 60.667 60.667 60.505 0.162 18269 5081 1 11 . 1 1 71 71 SER CB C 71 62.646 62.646 63.075 -0.429 18269 5082 1 11 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.174 0.090 18269 5083 1 11 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.739 -2.110 18269 5084 1 11 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.297 -1.050 18269 5085 1 11 . 1 1 73 73 VAL N N 73 114.786 114.786 117.690 -2.904 18269 5086 1 11 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.988 0.114 18269 5087 1 11 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.932 -2.191 18269 5088 1 11 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.253 1.012 18269 5089 1 11 . 1 1 73 73 VAL H H 73 7.812 7.812 7.421 0.391 18269 5090 1 11 . 1 1 74 74 THR HA H 74 3.767 3.767 3.893 -0.126 18269 5091 1 11 . 1 1 74 74 THR CA C 74 65.584 65.584 66.535 -0.951 18269 5092 1 11 . 1 1 74 74 THR CB C 74 67.470 67.470 68.187 -0.717 18269 5093 1 11 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.250 -0.004 18269 5094 1 11 . 1 1 75 75 ARG CA C 75 61.383 61.383 59.491 1.892 18269 5095 1 11 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.709 0.911 18269 5096 1 11 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.303 0.182 18269 5097 1 11 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.103 0.594 18269 5098 1 11 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.611 -0.716 18269 5099 1 11 . 1 1 77 77 MET N N 77 117.583 117.583 116.710 0.873 18269 5100 1 11 . 1 1 77 77 MET HA H 77 4.684 4.684 4.103 0.581 18269 5101 1 11 . 1 1 77 77 MET CA C 77 59.347 59.347 57.152 2.195 18269 5102 1 11 . 1 1 77 77 MET CB C 77 32.996 32.996 32.358 0.638 18269 5103 1 11 . 1 1 77 77 MET H H 77 7.685 7.685 8.427 -0.742 18269 5104 1 11 . 1 1 78 78 SER N N 78 114.578 114.578 113.878 0.700 18269 5105 1 11 . 1 1 78 78 SER HA H 78 4.226 4.226 4.102 0.124 18269 5106 1 11 . 1 1 78 78 SER CA C 78 61.922 61.922 60.744 1.178 18269 5107 1 11 . 1 1 78 78 SER CB C 78 62.406 62.406 63.061 -0.655 18269 5108 1 11 . 1 1 78 78 SER H H 78 8.285 8.285 7.813 0.472 18269 5109 1 11 . 1 1 79 79 VAL N N 79 111.248 111.248 118.009 -6.761 18269 5110 1 11 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.301 0.450 18269 5111 1 11 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.006 0.120 18269 5112 1 11 . 1 1 79 79 VAL CB C 79 30.346 30.346 35.644 -5.298 18269 5113 1 11 . 1 1 79 79 VAL H H 79 7.004 7.004 7.758 -0.754 18269 5114 1 11 . 1 1 80 80 HIS N N 80 116.703 116.703 124.219 -7.516 18269 5115 1 11 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.769 -0.653 18269 5116 1 11 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.726 -0.900 18269 5117 1 11 . 1 1 80 80 HIS CB C 80 25.889 25.889 28.934 -3.046 18269 5118 1 11 . 1 1 80 80 HIS H H 80 8.289 8.289 8.782 -0.493 18269 5119 1 11 . 1 1 81 81 MET N N 81 120.978 120.978 124.051 -3.073 18269 5120 1 11 . 1 1 81 81 MET HA H 81 4.512 4.512 4.904 -0.392 18269 5121 1 11 . 1 1 81 81 MET CA C 81 55.007 55.007 52.667 2.340 18269 5122 1 11 . 1 1 81 81 MET CB C 81 33.265 33.265 32.952 0.313 18269 5123 1 11 . 1 1 81 81 MET H H 81 8.006 8.006 8.331 -0.325 18269 5124 1 11 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.228 0.113 18269 5125 1 11 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.780 -1.544 18269 5126 1 11 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.593 2.070 18269 5127 1 11 . 1 1 83 83 ALA N N 83 126.545 126.545 120.710 5.835 18269 5128 1 11 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.958 -0.012 18269 5129 1 11 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.054 0.918 18269 5130 1 11 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.636 0.840 18269 5131 1 11 . 1 1 83 83 ALA H H 83 9.196 9.196 8.184 1.012 18269 5132 1 11 . 1 1 84 84 MET N N 84 114.734 114.734 117.469 -2.735 18269 5133 1 11 . 1 1 84 84 MET HA H 84 4.024 4.024 4.434 -0.410 18269 5134 1 11 . 1 1 84 84 MET CA C 84 58.812 58.812 58.080 0.732 18269 5135 1 11 . 1 1 84 84 MET CB C 84 32.242 32.242 32.021 0.221 18269 5136 1 11 . 1 1 84 84 MET H H 84 9.289 9.289 8.118 1.171 18269 5137 1 11 . 1 1 85 85 LYS N N 85 116.490 116.490 118.684 -2.194 18269 5138 1 11 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.264 -0.090 18269 5139 1 11 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.730 -0.614 18269 5140 1 11 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.550 -0.757 18269 5141 1 11 . 1 1 85 85 LYS H H 85 6.997 6.997 8.622 -1.625 18269 5142 1 11 . 1 1 86 86 ILE N N 86 120.561 120.561 121.169 -0.608 18269 5143 1 11 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.729 -0.114 18269 5144 1 11 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.872 1.406 18269 5145 1 11 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.905 -0.385 18269 5146 1 11 . 1 1 86 86 ILE H H 86 7.875 7.875 7.522 0.353 18269 5147 1 11 . 1 1 87 87 CYS N N 87 117.323 117.323 119.735 -2.412 18269 5148 1 11 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.070 0.006 18269 5149 1 11 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.336 -1.276 18269 5150 1 11 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.712 17.021 18269 5151 1 11 . 1 1 87 87 CYS H H 87 8.643 8.643 8.131 0.512 18269 5152 1 11 . 1 1 88 88 GLU N N 88 118.070 118.070 120.425 -2.355 18269 5153 1 11 . 1 1 88 88 GLU HA H 88 3.948 3.948 3.972 -0.024 18269 5154 1 11 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.664 0.099 18269 5155 1 11 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.399 0.364 18269 5156 1 11 . 1 1 88 88 GLU H H 88 8.045 8.045 8.403 -0.358 18269 5157 1 11 . 1 1 89 89 LYS N N 89 119.719 119.719 119.119 0.600 18269 5158 1 11 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.072 0.066 18269 5159 1 11 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.186 -0.056 18269 5160 1 11 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.319 -0.616 18269 5161 1 11 . 1 1 89 89 LYS H H 89 7.530 7.530 7.678 -0.148 18269 5162 1 11 . 1 1 90 90 LEU N N 90 119.550 119.550 119.019 0.531 18269 5163 1 11 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.226 -0.261 18269 5164 1 11 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.249 0.094 18269 5165 1 11 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.750 -0.759 18269 5166 1 11 . 1 1 90 90 LEU H H 90 8.422 8.422 7.811 0.611 18269 5167 1 11 . 1 1 91 91 LYS N N 91 119.180 119.180 118.036 1.144 18269 5168 1 11 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.419 -0.557 18269 5169 1 11 . 1 1 91 91 LYS CA C 91 58.605 58.605 57.623 0.982 18269 5170 1 11 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.618 0.859 18269 5171 1 11 . 1 1 91 91 LYS H H 91 8.218 8.218 8.334 -0.116 18269 5172 1 11 . 1 1 92 92 LYS N N 92 113.632 113.632 118.582 -4.950 18269 5173 1 11 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.055 -0.002 18269 5174 1 11 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.474 -0.916 18269 5175 1 11 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.500 -0.566 18269 5176 1 11 . 1 1 92 92 LYS H H 92 6.984 6.984 7.613 -0.629 18269 5177 1 11 . 1 1 93 93 LEU N N 93 119.104 119.104 117.315 1.789 18269 5178 1 11 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.209 0.081 18269 5179 1 11 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.703 -0.599 18269 5180 1 11 . 1 1 93 93 LEU CB C 93 42.102 42.102 42.866 -0.764 18269 5181 1 11 . 1 1 93 93 LEU H H 93 7.456 7.456 7.491 -0.035 18269 5182 1 11 . 1 1 94 94 ASP N N 94 116.790 116.790 118.392 -1.602 18269 5183 1 11 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.713 -0.157 18269 5184 1 11 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.801 0.565 18269 5185 1 11 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.074 -0.901 18269 5186 1 11 . 1 1 94 94 ASP H H 94 7.911 7.911 7.841 0.070 18269 5187 1 11 . 1 1 95 95 SER N N 95 122.399 122.399 121.126 1.273 18269 5188 1 11 . 1 1 95 95 SER HA H 95 4.186 4.186 4.244 -0.058 18269 5189 1 11 . 1 1 95 95 SER CA C 95 61.472 61.472 60.395 1.077 18269 5190 1 11 . 1 1 95 95 SER CB C 95 62.568 62.568 62.886 -0.318 18269 5191 1 11 . 1 1 95 95 SER H H 95 8.894 8.894 8.812 0.082 18269 5192 1 11 . 1 1 96 96 GLN N N 96 120.800 120.800 119.744 1.056 18269 5193 1 11 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.036 -0.174 18269 5194 1 11 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.900 0.251 18269 5195 1 11 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.344 0.073 18269 5196 1 11 . 1 1 96 96 GLN H H 96 8.610 8.610 7.794 0.816 18269 5197 1 11 . 1 1 97 97 ILE N N 97 117.387 117.387 118.084 -0.697 18269 5198 1 11 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.599 -0.200 18269 5199 1 11 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.461 1.370 18269 5200 1 11 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.856 0.418 18269 5201 1 11 . 1 1 97 97 ILE H H 97 7.470 7.470 7.492 -0.022 18269 5202 1 11 . 1 1 98 98 CYS N N 98 113.485 113.485 118.332 -4.847 18269 5203 1 11 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.305 0.766 18269 5204 1 11 . 1 1 98 98 CYS CA C 98 61.973 61.973 60.143 1.830 18269 5205 1 11 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.226 21.360 18269 5206 1 11 . 1 1 98 98 CYS H H 98 7.410 7.410 7.551 -0.141 18269 5207 1 11 . 1 1 99 99 GLU N N 99 119.123 119.123 118.829 0.294 18269 5208 1 11 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.420 -0.097 18269 5209 1 11 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.800 0.926 18269 5210 1 11 . 1 1 99 99 GLU CB C 99 29.979 29.979 27.963 2.016 18269 5211 1 11 . 1 1 99 99 GLU H H 99 7.308 7.308 8.155 -0.847 18269 5212 1 11 . 1 1 100 100 LEU N N 100 115.771 115.771 121.107 -5.336 18269 5213 1 11 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.155 0.142 18269 5214 1 11 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.059 -0.377 18269 5215 1 11 . 1 1 100 100 LEU CB C 100 42.961 42.961 43.239 -0.278 18269 5216 1 11 . 1 1 100 100 LEU H H 100 6.496 6.496 7.226 -0.730 18269 5217 1 11 . 1 1 101 101 LYS N N 101 125.672 125.672 113.991 11.681 18269 5218 1 11 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.205 0.389 18269 5219 1 11 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.817 -1.467 18269 5220 1 11 . 1 1 101 101 LYS CB C 101 35.723 35.723 30.030 5.692 18269 5221 1 11 . 1 1 101 101 LYS H H 101 8.575 8.575 7.837 0.738 18269 5222 1 11 . 1 1 102 102 TYR N N 102 120.395 120.395 124.022 -3.627 18269 5223 1 11 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.060 0.322 18269 5224 1 11 . 1 1 102 102 TYR CA C 102 60.024 60.024 62.013 -1.989 18269 5225 1 11 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.736 -0.408 18269 5226 1 11 . 1 1 102 102 TYR H H 102 8.756 8.756 9.332 -0.576 18269 5227 1 11 . 1 1 103 103 GLU N N 103 121.550 121.550 116.599 4.951 18269 5228 1 11 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.363 0.029 18269 5229 1 11 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.387 -1.060 18269 5230 1 11 . 1 1 103 103 GLU CB C 103 30.302 30.302 30.549 -0.247 18269 5231 1 11 . 1 1 103 103 GLU H H 103 8.835 8.835 8.755 0.080 18269 5232 1 11 . 1 1 104 104 LYS N N 104 122.957 122.957 119.508 3.449 18269 5233 1 11 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.461 0.000 18269 5234 1 11 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.001 -0.727 18269 5235 1 11 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.734 0.313 18269 5236 1 11 . 1 1 104 104 LYS H H 104 8.490 8.490 8.149 0.341 18269 5237 1 12 . 1 1 2 2 GLU N N 2 121.590 121.590 125.334 -3.744 18269 5238 1 12 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.180 0.114 18269 5239 1 12 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.583 -1.066 18269 5240 1 12 . 1 1 2 2 GLU CB C 2 30.151 30.151 28.177 1.974 18269 5241 1 12 . 1 1 2 2 GLU H H 2 8.621 8.621 8.697 -0.076 18269 5242 1 12 . 1 1 3 3 ALA N N 3 125.815 125.815 128.868 -3.053 18269 5243 1 12 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.564 -0.198 18269 5244 1 12 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.184 1.473 18269 5245 1 12 . 1 1 3 3 ALA CB C 3 18.947 18.947 18.101 0.846 18269 5246 1 12 . 1 1 3 3 ALA H H 3 8.598 8.598 8.130 0.468 18269 5247 1 12 . 1 1 4 4 GLY N N 4 108.386 108.386 111.029 -2.643 18269 5248 1 12 . 1 1 4 4 GLY CA C 4 45.137 45.137 44.866 0.271 18269 5249 1 12 . 1 1 4 4 GLY H H 4 8.487 8.487 7.755 0.732 18269 5250 1 12 . 1 1 5 5 GLY N N 5 108.367 108.367 110.622 -2.255 18269 5251 1 12 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.634 0.120 18269 5252 1 12 . 1 1 5 5 GLY H H 5 8.274 8.274 8.456 -0.182 18269 5253 1 12 . 1 1 6 6 ARG N N 6 121.577 121.577 120.659 0.918 18269 5254 1 12 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.046 0.629 18269 5255 1 12 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.499 -1.618 18269 5256 1 12 . 1 1 6 6 ARG CB C 6 30.135 30.135 29.552 0.583 18269 5257 1 12 . 1 1 6 6 ARG H H 6 8.297 8.297 8.095 0.202 18269 5258 1 12 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.643 -0.152 18269 5259 1 12 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.329 1.024 18269 5260 1 12 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.006 1.041 18269 5261 1 12 . 1 1 8 8 GLY N N 8 109.658 109.658 107.939 1.719 18269 5262 1 12 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.097 -1.009 18269 5263 1 12 . 1 1 8 8 GLY H H 8 8.660 8.660 8.222 0.438 18269 5264 1 12 . 1 1 9 9 ALA N N 9 123.995 123.995 120.953 3.042 18269 5265 1 12 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.826 -0.386 18269 5266 1 12 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.733 -0.936 18269 5267 1 12 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.290 -0.011 18269 5268 1 12 . 1 1 9 9 ALA H H 9 8.200 8.200 7.813 0.387 18269 5269 1 12 . 1 1 10 10 ASP N N 10 119.834 119.834 118.629 1.205 18269 5270 1 12 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.734 -0.077 18269 5271 1 12 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.051 -0.511 18269 5272 1 12 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.938 -1.432 18269 5273 1 12 . 1 1 10 10 ASP H H 10 8.290 8.290 8.400 -0.110 18269 5274 1 12 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.620 0.010 18269 5275 1 12 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.862 -5.104 18269 5276 1 12 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.660 12.800 18269 5277 1 12 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.367 -0.403 18269 5278 1 12 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.457 3.920 18269 5279 1 12 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.982 1.273 18269 5280 1 12 . 1 1 13 13 VAL N N 13 117.224 117.224 122.004 -4.780 18269 5281 1 12 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.311 0.435 18269 5282 1 12 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.600 -2.554 18269 5283 1 12 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.819 -0.601 18269 5284 1 12 . 1 1 13 13 VAL H H 13 7.040 7.040 8.313 -1.273 18269 5285 1 12 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.091 -0.006 18269 5286 1 12 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.239 -0.794 18269 5287 1 12 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.657 15.562 18269 5288 1 12 . 1 1 15 15 LYS HA H 15 4.059 4.059 3.877 0.182 18269 5289 1 12 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.869 -2.298 18269 5290 1 12 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.883 0.367 18269 5291 1 12 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.081 0.250 18269 5292 1 12 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.547 -0.373 18269 5293 1 12 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.383 0.023 18269 5294 1 12 . 1 1 16 16 GLU H H 16 8.098 8.098 8.568 -0.470 18269 5295 1 12 . 1 1 17 17 PHE N N 17 120.745 120.745 120.915 -0.170 18269 5296 1 12 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.437 -0.122 18269 5297 1 12 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.145 0.368 18269 5298 1 12 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.271 1.242 18269 5299 1 12 . 1 1 17 17 PHE H H 17 9.126 9.126 8.424 0.702 18269 5300 1 12 . 1 1 18 18 LEU N N 18 115.787 115.787 118.951 -3.164 18269 5301 1 12 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.882 0.261 18269 5302 1 12 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.384 -0.507 18269 5303 1 12 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.496 -0.544 18269 5304 1 12 . 1 1 18 18 LEU H H 18 8.505 8.505 8.145 0.360 18269 5305 1 12 . 1 1 19 19 ASN N N 19 117.635 117.635 116.785 0.850 18269 5306 1 12 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.522 0.353 18269 5307 1 12 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.706 -0.232 18269 5308 1 12 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.929 -0.601 18269 5309 1 12 . 1 1 19 19 ASN H H 19 8.405 8.405 8.120 0.285 18269 5310 1 12 . 1 1 20 20 ARG N N 20 122.851 122.851 119.965 2.886 18269 5311 1 12 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.123 -0.006 18269 5312 1 12 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.317 0.972 18269 5313 1 12 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.102 0.353 18269 5314 1 12 . 1 1 20 20 ARG H H 20 8.325 8.325 8.039 0.286 18269 5315 1 12 . 1 1 21 21 PHE N N 21 121.774 121.774 121.791 -0.017 18269 5316 1 12 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.140 0.140 18269 5317 1 12 . 1 1 21 21 PHE CA C 21 59.011 59.011 61.002 -1.991 18269 5318 1 12 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.089 -0.078 18269 5319 1 12 . 1 1 21 21 PHE H H 21 8.438 8.438 8.221 0.217 18269 5320 1 12 . 1 1 22 22 TYR N N 22 119.937 119.937 119.866 0.071 18269 5321 1 12 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.905 -0.116 18269 5322 1 12 . 1 1 22 22 TYR CA C 22 61.652 61.652 59.912 1.740 18269 5323 1 12 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.241 0.033 18269 5324 1 12 . 1 1 22 22 TYR H H 22 8.708 8.708 8.428 0.280 18269 5325 1 12 . 1 1 23 23 LYS N N 23 116.431 116.431 117.215 -0.784 18269 5326 1 12 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.997 -0.138 18269 5327 1 12 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.074 1.069 18269 5328 1 12 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.539 0.678 18269 5329 1 12 . 1 1 23 23 LYS H H 23 7.928 7.928 7.672 0.256 18269 5330 1 12 . 1 1 24 24 SER N N 24 113.888 113.888 118.053 -4.165 18269 5331 1 12 . 1 1 24 24 SER HA H 24 4.325 4.325 4.156 0.169 18269 5332 1 12 . 1 1 24 24 SER CA C 24 61.016 61.016 62.225 -1.210 18269 5333 1 12 . 1 1 24 24 SER CB C 24 62.837 62.837 62.728 0.109 18269 5334 1 12 . 1 1 24 24 SER H H 24 7.665 7.665 7.722 -0.057 18269 5335 1 12 . 1 1 25 25 LEU N N 25 119.663 119.663 120.889 -1.226 18269 5336 1 12 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.968 -0.289 18269 5337 1 12 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.777 -0.272 18269 5338 1 12 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.012 0.890 18269 5339 1 12 . 1 1 25 25 LEU H H 25 7.573 7.573 7.568 0.005 18269 5340 1 12 . 1 1 26 26 ILE N N 26 119.781 119.781 119.812 -0.031 18269 5341 1 12 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.684 0.172 18269 5342 1 12 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.799 -0.250 18269 5343 1 12 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.712 0.593 18269 5344 1 12 . 1 1 26 26 ILE H H 26 8.094 8.094 7.045 1.049 18269 5345 1 12 . 1 1 27 27 ASP N N 27 122.421 122.421 120.362 2.059 18269 5346 1 12 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.317 0.059 18269 5347 1 12 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.953 0.067 18269 5348 1 12 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.203 -1.123 18269 5349 1 12 . 1 1 27 27 ASP H H 27 9.091 9.091 8.400 0.691 18269 5350 1 12 . 1 1 28 28 ARG N N 28 115.349 115.349 117.406 -2.057 18269 5351 1 12 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.196 0.109 18269 5352 1 12 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.416 0.082 18269 5353 1 12 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.685 0.928 18269 5354 1 12 . 1 1 28 28 ARG H H 28 7.587 7.587 8.112 -0.525 18269 5355 1 12 . 1 1 29 29 GLY N N 29 109.999 109.999 107.728 2.271 18269 5356 1 12 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.439 1.222 18269 5357 1 12 . 1 1 29 29 GLY H H 29 7.909 7.909 7.507 0.402 18269 5358 1 12 . 1 1 30 30 VAL N N 30 118.740 118.740 117.095 1.645 18269 5359 1 12 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.474 -0.715 18269 5360 1 12 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.826 1.644 18269 5361 1 12 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.873 -0.547 18269 5362 1 12 . 1 1 30 30 VAL H H 30 7.701 7.701 7.922 -0.221 18269 5363 1 12 . 1 1 31 31 ASN N N 31 123.250 123.250 117.375 5.875 18269 5364 1 12 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.654 0.059 18269 5365 1 12 . 1 1 31 31 ASN CA C 31 53.488 53.488 51.732 1.756 18269 5366 1 12 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.088 -0.877 18269 5367 1 12 . 1 1 31 31 ASN H H 31 8.498 8.498 7.573 0.925 18269 5368 1 12 . 1 1 32 32 PHE N N 32 126.076 126.076 115.027 11.049 18269 5369 1 12 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.090 0.048 18269 5370 1 12 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.974 -2.327 18269 5371 1 12 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.857 -1.078 18269 5372 1 12 . 1 1 32 32 PHE H H 32 8.783 8.783 8.678 0.105 18269 5373 1 12 . 1 1 33 33 SER N N 33 115.958 115.958 117.775 -1.817 18269 5374 1 12 . 1 1 33 33 SER HA H 33 4.736 4.736 4.453 0.283 18269 5375 1 12 . 1 1 33 33 SER CA C 33 56.745 56.745 58.634 -1.889 18269 5376 1 12 . 1 1 33 33 SER CB C 33 64.899 64.899 62.924 1.975 18269 5377 1 12 . 1 1 33 33 SER H H 33 7.699 7.699 8.159 -0.460 18269 5378 1 12 . 1 1 34 34 LEU N N 34 124.359 124.359 129.513 -5.154 18269 5379 1 12 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.050 -0.197 18269 5380 1 12 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.842 0.829 18269 5381 1 12 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.210 0.336 18269 5382 1 12 . 1 1 34 34 LEU H H 34 8.935 8.935 8.590 0.345 18269 5383 1 12 . 1 1 35 35 ASP N N 35 115.345 115.345 117.001 -1.656 18269 5384 1 12 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.447 -0.069 18269 5385 1 12 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.571 -0.713 18269 5386 1 12 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.832 -0.672 18269 5387 1 12 . 1 1 35 35 ASP H H 35 8.575 8.575 8.755 -0.180 18269 5388 1 12 . 1 1 36 36 THR N N 36 116.789 116.789 116.355 0.434 18269 5389 1 12 . 1 1 36 36 THR HA H 36 4.015 4.015 4.196 -0.181 18269 5390 1 12 . 1 1 36 36 THR CA C 36 66.069 66.069 66.850 -0.782 18269 5391 1 12 . 1 1 36 36 THR CB C 36 68.780 68.780 68.910 -0.130 18269 5392 1 12 . 1 1 36 36 THR H H 36 7.593 7.593 7.398 0.195 18269 5393 1 12 . 1 1 37 37 ILE N N 37 120.685 120.685 122.323 -1.638 18269 5394 1 12 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.776 -0.407 18269 5395 1 12 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.852 -0.052 18269 5396 1 12 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.529 -0.438 18269 5397 1 12 . 1 1 37 37 ILE H H 37 8.436 8.436 8.768 -0.332 18269 5398 1 12 . 1 1 38 38 GLU N N 38 118.792 118.792 121.284 -2.492 18269 5399 1 12 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.903 -0.225 18269 5400 1 12 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.990 1.070 18269 5401 1 12 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.522 0.349 18269 5402 1 12 . 1 1 38 38 GLU H H 38 8.122 8.122 8.343 -0.221 18269 5403 1 12 . 1 1 39 39 LYS N N 39 116.986 116.986 119.569 -2.583 18269 5404 1 12 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.098 -0.137 18269 5405 1 12 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.709 1.037 18269 5406 1 12 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.140 0.170 18269 5407 1 12 . 1 1 39 39 LYS H H 39 7.586 7.586 7.651 -0.064 18269 5408 1 12 . 1 1 40 40 GLU N N 40 117.892 117.892 119.959 -2.067 18269 5409 1 12 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.240 -0.035 18269 5410 1 12 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.152 -0.793 18269 5411 1 12 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.529 -0.950 18269 5412 1 12 . 1 1 40 40 GLU H H 40 8.690 8.690 8.506 0.184 18269 5413 1 12 . 1 1 41 41 LEU N N 41 125.830 125.830 121.259 4.571 18269 5414 1 12 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.679 -0.132 18269 5415 1 12 . 1 1 41 41 LEU CA C 41 57.828 57.828 57.995 -0.167 18269 5416 1 12 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.737 -1.399 18269 5417 1 12 . 1 1 41 41 LEU H H 41 8.978 8.978 8.409 0.569 18269 5418 1 12 . 1 1 42 42 ILE N N 42 119.900 119.900 119.980 -0.080 18269 5419 1 12 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.846 -0.262 18269 5420 1 12 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.285 0.547 18269 5421 1 12 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.869 -0.079 18269 5422 1 12 . 1 1 42 42 ILE H H 42 7.884 7.884 7.891 -0.007 18269 5423 1 12 . 1 1 43 43 SER N N 43 114.071 114.071 115.180 -1.109 18269 5424 1 12 . 1 1 43 43 SER HA H 43 4.277 4.277 4.185 0.092 18269 5425 1 12 . 1 1 43 43 SER CA C 43 61.598 61.598 62.093 -0.495 18269 5426 1 12 . 1 1 43 43 SER CB C 43 62.767 62.767 63.273 -0.506 18269 5427 1 12 . 1 1 43 43 SER H H 43 7.791 7.791 8.163 -0.372 18269 5428 1 12 . 1 1 44 44 PHE N N 44 125.036 125.036 122.180 2.856 18269 5429 1 12 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.262 0.067 18269 5430 1 12 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.699 -0.442 18269 5431 1 12 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.243 1.388 18269 5432 1 12 . 1 1 44 44 PHE H H 44 9.060 9.060 8.828 0.232 18269 5433 1 12 . 1 1 45 45 CYS N N 45 112.824 112.824 119.533 -6.709 18269 5434 1 12 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.541 0.065 18269 5435 1 12 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.671 -2.435 18269 5436 1 12 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.997 16.626 18269 5437 1 12 . 1 1 45 45 CYS H H 45 8.254 8.254 8.678 -0.424 18269 5438 1 12 . 1 1 46 46 LEU N N 46 123.875 123.875 119.832 4.043 18269 5439 1 12 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.277 -0.102 18269 5440 1 12 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.229 0.922 18269 5441 1 12 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.572 0.680 18269 5442 1 12 . 1 1 46 46 LEU H H 46 7.776 7.776 7.629 0.147 18269 5443 1 12 . 1 1 47 47 ASP N N 47 116.880 116.880 116.609 0.271 18269 5444 1 12 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.505 0.405 18269 5445 1 12 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.648 -2.063 18269 5446 1 12 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.728 -1.353 18269 5447 1 12 . 1 1 47 47 ASP H H 47 7.852 7.852 8.309 -0.457 18269 5448 1 12 . 1 1 48 48 THR N N 48 108.053 108.053 114.126 -6.073 18269 5449 1 12 . 1 1 48 48 THR HA H 48 4.461 4.461 4.112 0.349 18269 5450 1 12 . 1 1 48 48 THR CA C 48 60.844 60.844 61.956 -1.112 18269 5451 1 12 . 1 1 48 48 THR CB C 48 73.395 73.395 69.697 3.698 18269 5452 1 12 . 1 1 48 48 THR H H 48 7.139 7.139 7.620 -0.481 18269 5453 1 12 . 1 1 49 49 LYS N N 49 118.308 118.308 119.350 -1.042 18269 5454 1 12 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.515 0.203 18269 5455 1 12 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.867 -0.823 18269 5456 1 12 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.091 3.479 18269 5457 1 12 . 1 1 49 49 LYS H H 49 8.755 8.755 9.298 -0.543 18269 5458 1 12 . 1 1 50 50 GLY N N 50 108.996 108.996 110.292 -1.296 18269 5459 1 12 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.769 -0.926 18269 5460 1 12 . 1 1 50 50 GLY H H 50 8.866 8.866 8.648 0.218 18269 5461 1 12 . 1 1 51 51 LYS N N 51 126.155 126.155 121.347 4.808 18269 5462 1 12 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.167 -0.197 18269 5463 1 12 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.073 -0.963 18269 5464 1 12 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.247 0.372 18269 5465 1 12 . 1 1 51 51 LYS H H 51 9.254 9.254 8.505 0.749 18269 5466 1 12 . 1 1 52 52 GLU N N 52 116.496 116.496 118.666 -2.170 18269 5467 1 12 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.156 -0.633 18269 5468 1 12 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.244 0.146 18269 5469 1 12 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.791 -1.105 18269 5470 1 12 . 1 1 52 52 GLU H H 52 8.223 8.223 8.154 0.069 18269 5471 1 12 . 1 1 53 53 ASN N N 53 119.000 119.000 117.334 1.666 18269 5472 1 12 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.771 -0.387 18269 5473 1 12 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.301 1.677 18269 5474 1 12 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.498 0.948 18269 5475 1 12 . 1 1 53 53 ASN H H 53 6.840 6.840 8.678 -1.838 18269 5476 1 12 . 1 1 54 54 ARG N N 54 118.480 118.480 118.787 -0.307 18269 5477 1 12 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.453 -0.684 18269 5478 1 12 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.278 0.119 18269 5479 1 12 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.025 -1.285 18269 5480 1 12 . 1 1 54 54 ARG H H 54 7.456 7.456 7.683 -0.227 18269 5481 1 12 . 1 1 55 55 LEU N N 55 118.688 118.688 122.212 -3.524 18269 5482 1 12 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.493 -0.685 18269 5483 1 12 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.976 0.483 18269 5484 1 12 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.652 -1.532 18269 5485 1 12 . 1 1 55 55 LEU H H 55 7.843 7.843 7.862 -0.019 18269 5486 1 12 . 1 1 56 56 CYS N N 56 115.905 115.905 115.804 0.101 18269 5487 1 12 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.971 -0.098 18269 5488 1 12 . 1 1 56 56 CYS CA C 56 63.037 63.037 59.751 3.286 18269 5489 1 12 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.093 16.812 18269 5490 1 12 . 1 1 56 56 CYS H H 56 7.752 7.752 7.986 -0.234 18269 5491 1 12 . 1 1 57 57 TYR N N 57 121.810 121.810 121.011 0.799 18269 5492 1 12 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.337 -0.194 18269 5493 1 12 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.805 0.510 18269 5494 1 12 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.825 -0.771 18269 5495 1 12 . 1 1 57 57 TYR H H 57 7.911 7.911 7.693 0.218 18269 5496 1 12 . 1 1 58 58 TYR N N 58 121.916 121.916 115.336 6.580 18269 5497 1 12 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.383 -0.008 18269 5498 1 12 . 1 1 58 58 TYR CA C 58 59.009 59.009 59.803 -0.794 18269 5499 1 12 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.340 -0.316 18269 5500 1 12 . 1 1 58 58 TYR H H 58 8.334 8.334 7.304 1.030 18269 5501 1 12 . 1 1 59 59 LEU N N 59 114.461 114.461 116.767 -2.306 18269 5502 1 12 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.210 -0.090 18269 5503 1 12 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.123 0.106 18269 5504 1 12 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.045 0.000 18269 5505 1 12 . 1 1 59 59 LEU H H 59 8.079 8.079 7.941 0.138 18269 5506 1 12 . 1 1 60 60 GLY N N 60 102.559 102.559 105.950 -3.391 18269 5507 1 12 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.489 0.083 18269 5508 1 12 . 1 1 60 60 GLY H H 60 7.562 7.562 8.118 -0.556 18269 5509 1 12 . 1 1 61 61 ALA N N 61 120.327 120.327 126.026 -5.699 18269 5510 1 12 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.366 0.035 18269 5511 1 12 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.512 -0.247 18269 5512 1 12 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.052 2.285 18269 5513 1 12 . 1 1 61 61 ALA H H 61 7.995 7.995 7.689 0.306 18269 5514 1 12 . 1 1 62 62 THR N N 62 106.895 106.895 110.434 -3.539 18269 5515 1 12 . 1 1 62 62 THR HA H 62 4.518 4.518 4.482 0.036 18269 5516 1 12 . 1 1 62 62 THR CA C 62 59.982 59.982 61.050 -1.068 18269 5517 1 12 . 1 1 62 62 THR CB C 62 70.540 70.540 71.540 -1.000 18269 5518 1 12 . 1 1 62 62 THR H H 62 7.156 7.156 7.693 -0.537 18269 5519 1 12 . 1 1 63 63 LYS N N 63 121.251 121.251 124.493 -3.242 18269 5520 1 12 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.165 -0.068 18269 5521 1 12 . 1 1 63 63 LYS CA C 63 58.272 58.272 58.713 -0.441 18269 5522 1 12 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.269 -0.114 18269 5523 1 12 . 1 1 63 63 LYS H H 63 8.626 8.626 8.610 0.016 18269 5524 1 12 . 1 1 64 64 ASP N N 64 116.607 116.607 115.820 0.787 18269 5525 1 12 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.684 -0.127 18269 5526 1 12 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.612 -0.710 18269 5527 1 12 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.568 -1.462 18269 5528 1 12 . 1 1 64 64 ASP H H 64 8.441 8.441 8.035 0.406 18269 5529 1 12 . 1 1 65 65 ALA N N 65 122.486 122.486 121.722 0.764 18269 5530 1 12 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.577 -0.492 18269 5531 1 12 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.075 1.474 18269 5532 1 12 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.699 -1.142 18269 5533 1 12 . 1 1 65 65 ALA H H 65 7.368 7.368 7.305 0.063 18269 5534 1 12 . 1 1 66 66 ALA N N 66 124.171 124.171 121.299 2.872 18269 5535 1 12 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.432 0.012 18269 5536 1 12 . 1 1 66 66 ALA CA C 66 52.471 52.471 51.958 0.513 18269 5537 1 12 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.327 -0.062 18269 5538 1 12 . 1 1 66 66 ALA H H 66 8.300 8.300 8.527 -0.227 18269 5539 1 12 . 1 1 67 67 THR N N 67 111.638 111.638 115.988 -4.350 18269 5540 1 12 . 1 1 67 67 THR HA H 67 4.496 4.496 4.240 0.256 18269 5541 1 12 . 1 1 67 67 THR CA C 67 60.881 60.881 63.713 -2.832 18269 5542 1 12 . 1 1 67 67 THR CB C 67 70.199 70.199 69.156 1.042 18269 5543 1 12 . 1 1 67 67 THR H H 67 7.730 7.730 8.565 -0.835 18269 5544 1 12 . 1 1 68 68 LYS N N 68 121.732 121.732 121.269 0.463 18269 5545 1 12 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.210 0.326 18269 5546 1 12 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.695 -2.133 18269 5547 1 12 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.413 0.685 18269 5548 1 12 . 1 1 68 68 LYS H H 68 8.502 8.502 8.151 0.351 18269 5549 1 12 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.988 0.351 18269 5550 1 12 . 1 1 69 69 ILE CA C 69 61.706 61.706 62.691 -0.985 18269 5551 1 12 . 1 1 69 69 ILE CB C 69 37.800 37.800 38.005 -0.205 18269 5552 1 12 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.126 0.005 18269 5553 1 12 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.437 1.179 18269 5554 1 12 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.562 0.176 18269 5555 1 12 . 1 1 71 71 SER HA H 71 4.817 4.817 4.340 0.477 18269 5556 1 12 . 1 1 71 71 SER CA C 71 60.667 60.667 60.531 0.136 18269 5557 1 12 . 1 1 71 71 SER CB C 71 62.646 62.646 62.898 -0.252 18269 5558 1 12 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.254 0.010 18269 5559 1 12 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.778 -2.149 18269 5560 1 12 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.603 -1.356 18269 5561 1 12 . 1 1 73 73 VAL N N 73 114.786 114.786 119.644 -4.858 18269 5562 1 12 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.785 0.317 18269 5563 1 12 . 1 1 73 73 VAL CA C 73 63.741 63.741 66.077 -2.336 18269 5564 1 12 . 1 1 73 73 VAL CB C 73 33.265 33.265 30.796 2.469 18269 5565 1 12 . 1 1 73 73 VAL H H 73 7.812 7.812 8.008 -0.196 18269 5566 1 12 . 1 1 74 74 THR HA H 74 3.767 3.767 4.022 -0.255 18269 5567 1 12 . 1 1 74 74 THR CA C 74 65.584 65.584 65.889 -0.305 18269 5568 1 12 . 1 1 74 74 THR CB C 74 67.470 67.470 68.375 -0.905 18269 5569 1 12 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.301 -0.055 18269 5570 1 12 . 1 1 75 75 ARG CA C 75 61.383 61.383 61.146 0.237 18269 5571 1 12 . 1 1 75 75 ARG CB C 75 28.620 28.620 28.238 0.382 18269 5572 1 12 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.369 0.116 18269 5573 1 12 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.169 0.527 18269 5574 1 12 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.348 -0.453 18269 5575 1 12 . 1 1 77 77 MET N N 77 117.583 117.583 114.237 3.346 18269 5576 1 12 . 1 1 77 77 MET HA H 77 4.684 4.684 4.225 0.459 18269 5577 1 12 . 1 1 77 77 MET CA C 77 59.347 59.347 55.809 3.538 18269 5578 1 12 . 1 1 77 77 MET CB C 77 32.996 32.996 31.259 1.737 18269 5579 1 12 . 1 1 77 77 MET H H 77 7.685 7.685 7.770 -0.085 18269 5580 1 12 . 1 1 78 78 SER N N 78 114.578 114.578 114.536 0.042 18269 5581 1 12 . 1 1 78 78 SER HA H 78 4.226 4.226 4.343 -0.117 18269 5582 1 12 . 1 1 78 78 SER CA C 78 61.922 61.922 59.997 1.925 18269 5583 1 12 . 1 1 78 78 SER CB C 78 62.406 62.406 64.546 -2.139 18269 5584 1 12 . 1 1 78 78 SER H H 78 8.285 8.285 7.926 0.359 18269 5585 1 12 . 1 1 79 79 VAL N N 79 111.248 111.248 121.204 -9.956 18269 5586 1 12 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.266 0.485 18269 5587 1 12 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.086 0.040 18269 5588 1 12 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.326 -3.980 18269 5589 1 12 . 1 1 79 79 VAL H H 79 7.004 7.004 7.413 -0.409 18269 5590 1 12 . 1 1 80 80 HIS N N 80 116.703 116.703 127.590 -10.887 18269 5591 1 12 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.984 -0.868 18269 5592 1 12 . 1 1 80 80 HIS CA C 80 56.826 56.826 58.229 -1.403 18269 5593 1 12 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.134 -3.244 18269 5594 1 12 . 1 1 80 80 HIS H H 80 8.289 8.289 8.724 -0.435 18269 5595 1 12 . 1 1 81 81 MET N N 81 120.978 120.978 124.931 -3.953 18269 5596 1 12 . 1 1 81 81 MET HA H 81 4.512 4.512 4.886 -0.374 18269 5597 1 12 . 1 1 81 81 MET CA C 81 55.007 55.007 52.868 2.139 18269 5598 1 12 . 1 1 81 81 MET CB C 81 33.265 33.265 34.604 -1.339 18269 5599 1 12 . 1 1 81 81 MET H H 81 8.006 8.006 8.751 -0.745 18269 5600 1 12 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.190 0.151 18269 5601 1 12 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.734 -1.498 18269 5602 1 12 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.745 1.918 18269 5603 1 12 . 1 1 83 83 ALA N N 83 126.545 126.545 121.136 5.409 18269 5604 1 12 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.860 0.086 18269 5605 1 12 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.056 0.917 18269 5606 1 12 . 1 1 83 83 ALA CB C 83 19.475 19.475 17.994 1.481 18269 5607 1 12 . 1 1 83 83 ALA H H 83 9.196 9.196 8.153 1.043 18269 5608 1 12 . 1 1 84 84 MET N N 84 114.734 114.734 115.694 -0.960 18269 5609 1 12 . 1 1 84 84 MET HA H 84 4.024 4.024 4.602 -0.578 18269 5610 1 12 . 1 1 84 84 MET CA C 84 58.812 58.812 58.152 0.660 18269 5611 1 12 . 1 1 84 84 MET CB C 84 32.242 32.242 32.145 0.097 18269 5612 1 12 . 1 1 84 84 MET H H 84 9.289 9.289 8.209 1.080 18269 5613 1 12 . 1 1 85 85 LYS N N 85 116.490 116.490 120.011 -3.521 18269 5614 1 12 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.545 -0.371 18269 5615 1 12 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.202 -0.086 18269 5616 1 12 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.467 -0.674 18269 5617 1 12 . 1 1 85 85 LYS H H 85 6.997 6.997 8.453 -1.456 18269 5618 1 12 . 1 1 86 86 ILE N N 86 120.561 120.561 121.498 -0.937 18269 5619 1 12 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.662 -0.047 18269 5620 1 12 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.133 1.145 18269 5621 1 12 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.563 -0.043 18269 5622 1 12 . 1 1 86 86 ILE H H 86 7.875 7.875 8.058 -0.183 18269 5623 1 12 . 1 1 87 87 CYS N N 87 117.323 117.323 120.286 -2.963 18269 5624 1 12 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.040 0.036 18269 5625 1 12 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.570 -1.510 18269 5626 1 12 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.889 16.844 18269 5627 1 12 . 1 1 87 87 CYS H H 87 8.643 8.643 7.939 0.704 18269 5628 1 12 . 1 1 88 88 GLU N N 88 118.070 118.070 119.728 -1.658 18269 5629 1 12 . 1 1 88 88 GLU HA H 88 3.948 3.948 3.966 -0.018 18269 5630 1 12 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.449 0.314 18269 5631 1 12 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.381 0.383 18269 5632 1 12 . 1 1 88 88 GLU H H 88 8.045 8.045 7.786 0.259 18269 5633 1 12 . 1 1 89 89 LYS N N 89 119.719 119.719 119.594 0.125 18269 5634 1 12 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.053 0.085 18269 5635 1 12 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.107 0.023 18269 5636 1 12 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.360 -0.657 18269 5637 1 12 . 1 1 89 89 LYS H H 89 7.530 7.530 7.977 -0.447 18269 5638 1 12 . 1 1 90 90 LEU N N 90 119.550 119.550 120.384 -0.834 18269 5639 1 12 . 1 1 90 90 LEU HA H 90 3.965 3.965 3.932 0.033 18269 5640 1 12 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.851 -0.508 18269 5641 1 12 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.645 -0.654 18269 5642 1 12 . 1 1 90 90 LEU H H 90 8.422 8.422 8.513 -0.091 18269 5643 1 12 . 1 1 91 91 LYS N N 91 119.180 119.180 117.313 1.867 18269 5644 1 12 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.339 -0.477 18269 5645 1 12 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.452 0.153 18269 5646 1 12 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.069 0.408 18269 5647 1 12 . 1 1 91 91 LYS H H 91 8.218 8.218 7.654 0.564 18269 5648 1 12 . 1 1 92 92 LYS N N 92 113.632 113.632 118.724 -5.092 18269 5649 1 12 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.173 -0.120 18269 5650 1 12 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.864 -0.305 18269 5651 1 12 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.354 -0.420 18269 5652 1 12 . 1 1 92 92 LYS H H 92 6.984 6.984 7.529 -0.545 18269 5653 1 12 . 1 1 93 93 LEU N N 93 119.104 119.104 118.728 0.376 18269 5654 1 12 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.309 -0.019 18269 5655 1 12 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.587 -0.483 18269 5656 1 12 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.167 -1.065 18269 5657 1 12 . 1 1 93 93 LEU H H 93 7.456 7.456 7.541 -0.085 18269 5658 1 12 . 1 1 94 94 ASP N N 94 116.790 116.790 117.645 -0.855 18269 5659 1 12 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.707 -0.151 18269 5660 1 12 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.341 1.025 18269 5661 1 12 . 1 1 94 94 ASP CB C 94 41.173 41.173 43.033 -1.860 18269 5662 1 12 . 1 1 94 94 ASP H H 94 7.911 7.911 8.244 -0.333 18269 5663 1 12 . 1 1 95 95 SER N N 95 122.399 122.399 121.012 1.387 18269 5664 1 12 . 1 1 95 95 SER HA H 95 4.186 4.186 4.302 -0.116 18269 5665 1 12 . 1 1 95 95 SER CA C 95 61.472 61.472 60.143 1.329 18269 5666 1 12 . 1 1 95 95 SER CB C 95 62.568 62.568 62.975 -0.407 18269 5667 1 12 . 1 1 95 95 SER H H 95 8.894 8.894 8.747 0.147 18269 5668 1 12 . 1 1 96 96 GLN N N 96 120.800 120.800 121.690 -0.890 18269 5669 1 12 . 1 1 96 96 GLN HA H 96 3.862 3.862 3.947 -0.085 18269 5670 1 12 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.297 -0.145 18269 5671 1 12 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.243 0.174 18269 5672 1 12 . 1 1 96 96 GLN H H 96 8.610 8.610 8.192 0.418 18269 5673 1 12 . 1 1 97 97 ILE N N 97 117.387 117.387 118.518 -1.131 18269 5674 1 12 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.512 -0.113 18269 5675 1 12 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.905 0.926 18269 5676 1 12 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.796 0.478 18269 5677 1 12 . 1 1 97 97 ILE H H 97 7.470 7.470 7.505 -0.035 18269 5678 1 12 . 1 1 98 98 CYS N N 98 113.485 113.485 115.691 -2.206 18269 5679 1 12 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.372 0.699 18269 5680 1 12 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.351 2.622 18269 5681 1 12 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.126 21.460 18269 5682 1 12 . 1 1 98 98 CYS H H 98 7.410 7.410 7.710 -0.300 18269 5683 1 12 . 1 1 99 99 GLU N N 99 119.123 119.123 119.017 0.106 18269 5684 1 12 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.352 -0.029 18269 5685 1 12 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.206 0.520 18269 5686 1 12 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.085 1.894 18269 5687 1 12 . 1 1 99 99 GLU H H 99 7.308 7.308 7.730 -0.422 18269 5688 1 12 . 1 1 100 100 LEU N N 100 115.771 115.771 120.582 -4.811 18269 5689 1 12 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.118 0.179 18269 5690 1 12 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.741 -1.059 18269 5691 1 12 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.518 0.443 18269 5692 1 12 . 1 1 100 100 LEU H H 100 6.496 6.496 7.452 -0.956 18269 5693 1 12 . 1 1 101 101 LYS N N 101 125.672 125.672 111.712 13.960 18269 5694 1 12 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.010 0.584 18269 5695 1 12 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.696 -1.346 18269 5696 1 12 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.744 3.979 18269 5697 1 12 . 1 1 101 101 LYS H H 101 8.575 8.575 7.818 0.757 18269 5698 1 12 . 1 1 102 102 TYR N N 102 120.395 120.395 122.281 -1.886 18269 5699 1 12 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.329 0.053 18269 5700 1 12 . 1 1 102 102 TYR CA C 102 60.024 60.024 56.769 3.255 18269 5701 1 12 . 1 1 102 102 TYR CB C 102 38.328 38.328 37.390 0.938 18269 5702 1 12 . 1 1 102 102 TYR H H 102 8.756 8.756 8.675 0.081 18269 5703 1 12 . 1 1 103 103 GLU N N 103 121.550 121.550 121.969 -0.419 18269 5704 1 12 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.096 0.295 18269 5705 1 12 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.242 -0.915 18269 5706 1 12 . 1 1 103 103 GLU CB C 103 30.302 30.302 28.066 2.236 18269 5707 1 12 . 1 1 103 103 GLU H H 103 8.835 8.835 8.190 0.645 18269 5708 1 12 . 1 1 104 104 LYS N N 104 122.957 122.957 122.546 0.411 18269 5709 1 12 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.356 0.105 18269 5710 1 12 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.380 -0.106 18269 5711 1 12 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.078 1.969 18269 5712 1 12 . 1 1 104 104 LYS H H 104 8.490 8.490 8.563 -0.073 18269 5713 1 13 . 1 1 2 2 GLU N N 2 121.590 121.590 122.470 -0.880 18269 5714 1 13 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.005 0.289 18269 5715 1 13 . 1 1 2 2 GLU CA C 2 56.517 56.517 56.923 -0.406 18269 5716 1 13 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.414 0.737 18269 5717 1 13 . 1 1 2 2 GLU H H 2 8.621 8.621 8.788 -0.167 18269 5718 1 13 . 1 1 3 3 ALA N N 3 125.815 125.815 125.594 0.221 18269 5719 1 13 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.374 -0.008 18269 5720 1 13 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.415 0.242 18269 5721 1 13 . 1 1 3 3 ALA CB C 3 18.947 18.947 18.799 0.148 18269 5722 1 13 . 1 1 3 3 ALA H H 3 8.598 8.598 8.049 0.549 18269 5723 1 13 . 1 1 4 4 GLY N N 4 108.386 108.386 112.436 -4.050 18269 5724 1 13 . 1 1 4 4 GLY CA C 4 45.137 45.137 44.982 0.155 18269 5725 1 13 . 1 1 4 4 GLY H H 4 8.487 8.487 8.645 -0.158 18269 5726 1 13 . 1 1 5 5 GLY N N 5 108.367 108.367 108.239 0.128 18269 5727 1 13 . 1 1 5 5 GLY CA C 5 44.754 44.754 45.046 -0.292 18269 5728 1 13 . 1 1 5 5 GLY H H 5 8.274 8.274 7.755 0.519 18269 5729 1 13 . 1 1 6 6 ARG N N 6 121.577 121.577 121.920 -0.343 18269 5730 1 13 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.821 -0.146 18269 5731 1 13 . 1 1 6 6 ARG CA C 6 53.881 53.881 53.353 0.527 18269 5732 1 13 . 1 1 6 6 ARG CB C 6 30.135 30.135 29.285 0.850 18269 5733 1 13 . 1 1 6 6 ARG H H 6 8.297 8.297 8.398 -0.101 18269 5734 1 13 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.719 -0.228 18269 5735 1 13 . 1 1 7 7 PRO CA C 7 63.353 63.353 61.994 1.359 18269 5736 1 13 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.863 1.184 18269 5737 1 13 . 1 1 8 8 GLY N N 8 109.658 109.658 107.588 2.070 18269 5738 1 13 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.808 -0.720 18269 5739 1 13 . 1 1 8 8 GLY H H 8 8.660 8.660 7.904 0.756 18269 5740 1 13 . 1 1 9 9 ALA N N 9 123.995 123.995 120.404 3.591 18269 5741 1 13 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.359 0.081 18269 5742 1 13 . 1 1 9 9 ALA CA C 9 51.797 51.797 51.918 -0.121 18269 5743 1 13 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.611 -0.332 18269 5744 1 13 . 1 1 9 9 ALA H H 9 8.200 8.200 7.619 0.581 18269 5745 1 13 . 1 1 10 10 ASP N N 10 119.834 119.834 116.994 2.840 18269 5746 1 13 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.876 -0.219 18269 5747 1 13 . 1 1 10 10 ASP CA C 10 54.540 54.540 53.777 0.763 18269 5748 1 13 . 1 1 10 10 ASP CB C 10 41.506 41.506 43.410 -1.904 18269 5749 1 13 . 1 1 10 10 ASP H H 10 8.290 8.290 8.183 0.107 18269 5750 1 13 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.061 0.569 18269 5751 1 13 . 1 1 11 11 CYS CA C 11 54.758 54.758 60.981 -6.223 18269 5752 1 13 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.201 13.259 18269 5753 1 13 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.291 -0.327 18269 5754 1 13 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.314 4.063 18269 5755 1 13 . 1 1 12 12 GLU CB C 12 31.255 31.255 30.109 1.146 18269 5756 1 13 . 1 1 13 13 VAL N N 13 117.224 117.224 120.667 -3.443 18269 5757 1 13 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.857 -0.111 18269 5758 1 13 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.030 -1.984 18269 5759 1 13 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.302 -0.084 18269 5760 1 13 . 1 1 13 13 VAL H H 13 7.040 7.040 7.970 -0.930 18269 5761 1 13 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.287 -0.202 18269 5762 1 13 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.590 -0.145 18269 5763 1 13 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.489 14.729 18269 5764 1 13 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.048 0.011 18269 5765 1 13 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.479 -1.908 18269 5766 1 13 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.710 0.540 18269 5767 1 13 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.146 0.185 18269 5768 1 13 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.338 -0.164 18269 5769 1 13 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.345 0.061 18269 5770 1 13 . 1 1 16 16 GLU H H 16 8.098 8.098 8.564 -0.466 18269 5771 1 13 . 1 1 17 17 PHE N N 17 120.745 120.745 121.588 -0.843 18269 5772 1 13 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.332 -0.017 18269 5773 1 13 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.070 0.444 18269 5774 1 13 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.272 1.241 18269 5775 1 13 . 1 1 17 17 PHE H H 17 9.126 9.126 8.010 1.116 18269 5776 1 13 . 1 1 18 18 LEU N N 18 115.787 115.787 118.830 -3.043 18269 5777 1 13 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.929 0.214 18269 5778 1 13 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.408 -0.531 18269 5779 1 13 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.356 -0.404 18269 5780 1 13 . 1 1 18 18 LEU H H 18 8.505 8.505 8.907 -0.402 18269 5781 1 13 . 1 1 19 19 ASN N N 19 117.635 117.635 117.194 0.441 18269 5782 1 13 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.349 0.527 18269 5783 1 13 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.786 -0.312 18269 5784 1 13 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.760 -0.432 18269 5785 1 13 . 1 1 19 19 ASN H H 19 8.405 8.405 8.038 0.367 18269 5786 1 13 . 1 1 20 20 ARG N N 20 122.851 122.851 119.433 3.418 18269 5787 1 13 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.019 0.098 18269 5788 1 13 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.435 0.854 18269 5789 1 13 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.264 0.191 18269 5790 1 13 . 1 1 20 20 ARG H H 20 8.325 8.325 7.772 0.553 18269 5791 1 13 . 1 1 21 21 PHE N N 21 121.774 121.774 120.702 1.072 18269 5792 1 13 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.194 0.086 18269 5793 1 13 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.612 -1.601 18269 5794 1 13 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.387 -0.376 18269 5795 1 13 . 1 1 21 21 PHE H H 21 8.438 8.438 8.292 0.146 18269 5796 1 13 . 1 1 22 22 TYR N N 22 119.937 119.937 120.874 -0.937 18269 5797 1 13 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.839 -0.050 18269 5798 1 13 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.776 -0.124 18269 5799 1 13 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.561 -0.287 18269 5800 1 13 . 1 1 22 22 TYR H H 22 8.708 8.708 8.726 -0.018 18269 5801 1 13 . 1 1 23 23 LYS N N 23 116.431 116.431 116.672 -0.241 18269 5802 1 13 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.842 0.017 18269 5803 1 13 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.464 0.679 18269 5804 1 13 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.640 0.577 18269 5805 1 13 . 1 1 23 23 LYS H H 23 7.928 7.928 7.831 0.097 18269 5806 1 13 . 1 1 24 24 SER N N 24 113.888 113.888 116.943 -3.055 18269 5807 1 13 . 1 1 24 24 SER HA H 24 4.325 4.325 4.436 -0.111 18269 5808 1 13 . 1 1 24 24 SER CA C 24 61.016 61.016 61.043 -0.027 18269 5809 1 13 . 1 1 24 24 SER CB C 24 62.837 62.837 62.698 0.139 18269 5810 1 13 . 1 1 24 24 SER H H 24 7.665 7.665 7.603 0.062 18269 5811 1 13 . 1 1 25 25 LEU N N 25 119.663 119.663 121.149 -1.486 18269 5812 1 13 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.951 -0.272 18269 5813 1 13 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.776 -0.271 18269 5814 1 13 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.350 0.552 18269 5815 1 13 . 1 1 25 25 LEU H H 25 7.573 7.573 7.619 -0.046 18269 5816 1 13 . 1 1 26 26 ILE N N 26 119.781 119.781 117.556 2.225 18269 5817 1 13 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.708 0.148 18269 5818 1 13 . 1 1 26 26 ILE CA C 26 63.549 63.549 62.693 0.856 18269 5819 1 13 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.730 0.575 18269 5820 1 13 . 1 1 26 26 ILE H H 26 8.094 8.094 6.915 1.179 18269 5821 1 13 . 1 1 27 27 ASP N N 27 122.421 122.421 119.598 2.823 18269 5822 1 13 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.397 -0.021 18269 5823 1 13 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.529 0.491 18269 5824 1 13 . 1 1 27 27 ASP CB C 27 40.080 40.080 40.839 -0.759 18269 5825 1 13 . 1 1 27 27 ASP H H 27 9.091 9.091 8.135 0.956 18269 5826 1 13 . 1 1 28 28 ARG N N 28 115.349 115.349 117.356 -2.007 18269 5827 1 13 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.193 0.112 18269 5828 1 13 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.517 -0.019 18269 5829 1 13 . 1 1 28 28 ARG CB C 28 31.613 31.613 31.013 0.600 18269 5830 1 13 . 1 1 28 28 ARG H H 28 7.587 7.587 8.172 -0.585 18269 5831 1 13 . 1 1 29 29 GLY N N 29 109.999 109.999 108.905 1.094 18269 5832 1 13 . 1 1 29 29 GLY CA C 29 46.661 46.661 46.091 0.570 18269 5833 1 13 . 1 1 29 29 GLY H H 29 7.909 7.909 7.929 -0.020 18269 5834 1 13 . 1 1 30 30 VAL N N 30 118.740 118.740 113.188 5.552 18269 5835 1 13 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.255 -0.496 18269 5836 1 13 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.161 1.309 18269 5837 1 13 . 1 1 30 30 VAL CB C 30 32.326 32.326 31.959 0.367 18269 5838 1 13 . 1 1 30 30 VAL H H 30 7.701 7.701 7.357 0.344 18269 5839 1 13 . 1 1 31 31 ASN N N 31 123.250 123.250 118.677 4.573 18269 5840 1 13 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.626 0.087 18269 5841 1 13 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.988 -0.500 18269 5842 1 13 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.159 0.052 18269 5843 1 13 . 1 1 31 31 ASN H H 31 8.498 8.498 7.698 0.800 18269 5844 1 13 . 1 1 32 32 PHE N N 32 126.076 126.076 113.336 12.740 18269 5845 1 13 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.097 0.041 18269 5846 1 13 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.683 -2.036 18269 5847 1 13 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.961 -1.182 18269 5848 1 13 . 1 1 32 32 PHE H H 32 8.783 8.783 8.119 0.664 18269 5849 1 13 . 1 1 33 33 SER N N 33 115.958 115.958 117.537 -1.579 18269 5850 1 13 . 1 1 33 33 SER HA H 33 4.736 4.736 4.644 0.092 18269 5851 1 13 . 1 1 33 33 SER CA C 33 56.745 56.745 57.706 -0.961 18269 5852 1 13 . 1 1 33 33 SER CB C 33 64.899 64.899 63.314 1.585 18269 5853 1 13 . 1 1 33 33 SER H H 33 7.699 7.699 8.024 -0.325 18269 5854 1 13 . 1 1 34 34 LEU N N 34 124.359 124.359 127.056 -2.697 18269 5855 1 13 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.061 -0.208 18269 5856 1 13 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.394 1.277 18269 5857 1 13 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.692 -0.146 18269 5858 1 13 . 1 1 34 34 LEU H H 34 8.935 8.935 8.461 0.474 18269 5859 1 13 . 1 1 35 35 ASP N N 35 115.345 115.345 117.720 -2.375 18269 5860 1 13 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.409 -0.031 18269 5861 1 13 . 1 1 35 35 ASP CA C 35 56.858 56.858 58.280 -1.422 18269 5862 1 13 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.148 0.012 18269 5863 1 13 . 1 1 35 35 ASP H H 35 8.575 8.575 8.659 -0.084 18269 5864 1 13 . 1 1 36 36 THR N N 36 116.789 116.789 116.745 0.044 18269 5865 1 13 . 1 1 36 36 THR HA H 36 4.015 4.015 4.073 -0.058 18269 5866 1 13 . 1 1 36 36 THR CA C 36 66.069 66.069 66.854 -0.785 18269 5867 1 13 . 1 1 36 36 THR CB C 36 68.780 68.780 68.895 -0.115 18269 5868 1 13 . 1 1 36 36 THR H H 36 7.593 7.593 7.238 0.355 18269 5869 1 13 . 1 1 37 37 ILE N N 37 120.685 120.685 121.229 -0.544 18269 5870 1 13 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.682 -0.313 18269 5871 1 13 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.536 0.264 18269 5872 1 13 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.303 -0.212 18269 5873 1 13 . 1 1 37 37 ILE H H 37 8.436 8.436 8.501 -0.065 18269 5874 1 13 . 1 1 38 38 GLU N N 38 118.792 118.792 120.708 -1.916 18269 5875 1 13 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.986 -0.308 18269 5876 1 13 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.777 1.283 18269 5877 1 13 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.579 0.292 18269 5878 1 13 . 1 1 38 38 GLU H H 38 8.122 8.122 8.116 0.006 18269 5879 1 13 . 1 1 39 39 LYS N N 39 116.986 116.986 119.980 -2.994 18269 5880 1 13 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.064 -0.103 18269 5881 1 13 . 1 1 39 39 LYS CA C 39 59.746 59.746 59.239 0.507 18269 5882 1 13 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.115 0.195 18269 5883 1 13 . 1 1 39 39 LYS H H 39 7.586 7.586 7.905 -0.319 18269 5884 1 13 . 1 1 40 40 GLU N N 40 117.892 117.892 119.761 -1.869 18269 5885 1 13 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.257 -0.052 18269 5886 1 13 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.915 -0.556 18269 5887 1 13 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.362 -0.783 18269 5888 1 13 . 1 1 40 40 GLU H H 40 8.690 8.690 8.415 0.275 18269 5889 1 13 . 1 1 41 41 LEU N N 41 125.830 125.830 121.349 4.481 18269 5890 1 13 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.787 -0.240 18269 5891 1 13 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.426 -0.598 18269 5892 1 13 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.798 -1.460 18269 5893 1 13 . 1 1 41 41 LEU H H 41 8.978 8.978 8.376 0.602 18269 5894 1 13 . 1 1 42 42 ILE N N 42 119.900 119.900 119.436 0.464 18269 5895 1 13 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.546 0.038 18269 5896 1 13 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.590 0.242 18269 5897 1 13 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.672 0.118 18269 5898 1 13 . 1 1 42 42 ILE H H 42 7.884 7.884 7.688 0.196 18269 5899 1 13 . 1 1 43 43 SER N N 43 114.071 114.071 115.874 -1.803 18269 5900 1 13 . 1 1 43 43 SER HA H 43 4.277 4.277 4.202 0.075 18269 5901 1 13 . 1 1 43 43 SER CA C 43 61.598 61.598 62.019 -0.421 18269 5902 1 13 . 1 1 43 43 SER CB C 43 62.767 62.767 62.936 -0.169 18269 5903 1 13 . 1 1 43 43 SER H H 43 7.791 7.791 8.473 -0.682 18269 5904 1 13 . 1 1 44 44 PHE N N 44 125.036 125.036 123.193 1.843 18269 5905 1 13 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.338 -0.009 18269 5906 1 13 . 1 1 44 44 PHE CA C 44 61.257 61.257 62.247 -0.990 18269 5907 1 13 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.299 1.332 18269 5908 1 13 . 1 1 44 44 PHE H H 44 9.060 9.060 8.728 0.332 18269 5909 1 13 . 1 1 45 45 CYS N N 45 112.824 112.824 119.090 -6.266 18269 5910 1 13 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.496 0.110 18269 5911 1 13 . 1 1 45 45 CYS CA C 45 59.236 59.236 63.066 -3.830 18269 5912 1 13 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.933 16.690 18269 5913 1 13 . 1 1 45 45 CYS H H 45 8.254 8.254 8.607 -0.353 18269 5914 1 13 . 1 1 46 46 LEU N N 46 123.875 123.875 120.665 3.210 18269 5915 1 13 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.225 -0.050 18269 5916 1 13 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.697 0.454 18269 5917 1 13 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.635 0.617 18269 5918 1 13 . 1 1 46 46 LEU H H 46 7.776 7.776 7.812 -0.036 18269 5919 1 13 . 1 1 47 47 ASP N N 47 116.880 116.880 117.116 -0.236 18269 5920 1 13 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.446 0.464 18269 5921 1 13 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.985 -2.400 18269 5922 1 13 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.554 -1.179 18269 5923 1 13 . 1 1 47 47 ASP H H 47 7.852 7.852 8.538 -0.686 18269 5924 1 13 . 1 1 48 48 THR N N 48 108.053 108.053 113.954 -5.901 18269 5925 1 13 . 1 1 48 48 THR HA H 48 4.461 4.461 4.191 0.270 18269 5926 1 13 . 1 1 48 48 THR CA C 48 60.844 60.844 62.280 -1.436 18269 5927 1 13 . 1 1 48 48 THR CB C 48 73.395 73.395 69.975 3.420 18269 5928 1 13 . 1 1 48 48 THR H H 48 7.139 7.139 7.410 -0.271 18269 5929 1 13 . 1 1 49 49 LYS N N 49 118.308 118.308 119.315 -1.007 18269 5930 1 13 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.482 0.236 18269 5931 1 13 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.189 -1.145 18269 5932 1 13 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.907 2.663 18269 5933 1 13 . 1 1 49 49 LYS H H 49 8.755 8.755 8.907 -0.152 18269 5934 1 13 . 1 1 50 50 GLY N N 50 108.996 108.996 109.756 -0.760 18269 5935 1 13 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.670 -0.827 18269 5936 1 13 . 1 1 50 50 GLY H H 50 8.866 8.866 8.664 0.202 18269 5937 1 13 . 1 1 51 51 LYS N N 51 126.155 126.155 121.877 4.278 18269 5938 1 13 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.033 -0.063 18269 5939 1 13 . 1 1 51 51 LYS CA C 51 58.110 58.110 58.991 -0.881 18269 5940 1 13 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.029 0.590 18269 5941 1 13 . 1 1 51 51 LYS H H 51 9.254 9.254 8.590 0.664 18269 5942 1 13 . 1 1 52 52 GLU N N 52 116.496 116.496 118.923 -2.427 18269 5943 1 13 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.103 -0.580 18269 5944 1 13 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.566 -0.176 18269 5945 1 13 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.212 -0.525 18269 5946 1 13 . 1 1 52 52 GLU H H 52 8.223 8.223 7.989 0.234 18269 5947 1 13 . 1 1 53 53 ASN N N 53 119.000 119.000 119.169 -0.169 18269 5948 1 13 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.760 -0.376 18269 5949 1 13 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.748 1.230 18269 5950 1 13 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.693 0.753 18269 5951 1 13 . 1 1 53 53 ASN H H 53 6.840 6.840 8.685 -1.845 18269 5952 1 13 . 1 1 54 54 ARG N N 54 118.480 118.480 119.315 -0.835 18269 5953 1 13 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.539 -0.770 18269 5954 1 13 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.801 -0.404 18269 5955 1 13 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.273 -1.533 18269 5956 1 13 . 1 1 54 54 ARG H H 54 7.456 7.456 8.056 -0.600 18269 5957 1 13 . 1 1 55 55 LEU N N 55 118.688 118.688 121.748 -3.060 18269 5958 1 13 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.205 -0.397 18269 5959 1 13 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.123 0.336 18269 5960 1 13 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.733 -1.613 18269 5961 1 13 . 1 1 55 55 LEU H H 55 7.843 7.843 8.361 -0.518 18269 5962 1 13 . 1 1 56 56 CYS N N 56 115.905 115.905 117.647 -1.742 18269 5963 1 13 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.922 -0.049 18269 5964 1 13 . 1 1 56 56 CYS CA C 56 63.037 63.037 60.631 2.406 18269 5965 1 13 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.434 17.471 18269 5966 1 13 . 1 1 56 56 CYS H H 56 7.752 7.752 7.823 -0.071 18269 5967 1 13 . 1 1 57 57 TYR N N 57 121.810 121.810 118.796 3.014 18269 5968 1 13 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.102 0.041 18269 5969 1 13 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.343 -0.028 18269 5970 1 13 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.654 -0.600 18269 5971 1 13 . 1 1 57 57 TYR H H 57 7.911 7.911 8.161 -0.250 18269 5972 1 13 . 1 1 58 58 TYR N N 58 121.916 121.916 117.586 4.330 18269 5973 1 13 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.202 0.173 18269 5974 1 13 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.979 -1.970 18269 5975 1 13 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.297 -0.273 18269 5976 1 13 . 1 1 58 58 TYR H H 58 8.334 8.334 7.661 0.673 18269 5977 1 13 . 1 1 59 59 LEU N N 59 114.461 114.461 115.803 -1.342 18269 5978 1 13 . 1 1 59 59 LEU HA H 59 4.120 4.120 3.952 0.168 18269 5979 1 13 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.152 -0.923 18269 5980 1 13 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.983 0.062 18269 5981 1 13 . 1 1 59 59 LEU H H 59 8.079 8.079 7.850 0.229 18269 5982 1 13 . 1 1 60 60 GLY N N 60 102.559 102.559 103.947 -1.388 18269 5983 1 13 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.498 0.074 18269 5984 1 13 . 1 1 60 60 GLY H H 60 7.562 7.562 7.970 -0.408 18269 5985 1 13 . 1 1 61 61 ALA N N 61 120.327 120.327 123.297 -2.970 18269 5986 1 13 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.124 0.277 18269 5987 1 13 . 1 1 61 61 ALA CA C 61 51.265 51.265 52.756 -1.491 18269 5988 1 13 . 1 1 61 61 ALA CB C 61 20.337 20.337 18.979 1.358 18269 5989 1 13 . 1 1 61 61 ALA H H 61 7.995 7.995 7.626 0.369 18269 5990 1 13 . 1 1 62 62 THR N N 62 106.895 106.895 115.042 -8.147 18269 5991 1 13 . 1 1 62 62 THR HA H 62 4.518 4.518 4.129 0.389 18269 5992 1 13 . 1 1 62 62 THR CA C 62 59.982 59.982 62.163 -2.181 18269 5993 1 13 . 1 1 62 62 THR CB C 62 70.540 70.540 68.994 1.546 18269 5994 1 13 . 1 1 62 62 THR H H 62 7.156 7.156 7.222 -0.066 18269 5995 1 13 . 1 1 63 63 LYS N N 63 121.251 121.251 127.399 -6.148 18269 5996 1 13 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.151 -0.054 18269 5997 1 13 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.406 0.866 18269 5998 1 13 . 1 1 63 63 LYS CB C 63 32.155 32.155 30.671 1.484 18269 5999 1 13 . 1 1 63 63 LYS H H 63 8.626 8.626 8.688 -0.062 18269 6000 1 13 . 1 1 64 64 ASP N N 64 116.607 116.607 119.333 -2.726 18269 6001 1 13 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.732 -0.175 18269 6002 1 13 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.150 -0.248 18269 6003 1 13 . 1 1 64 64 ASP CB C 64 40.106 40.106 42.633 -2.527 18269 6004 1 13 . 1 1 64 64 ASP H H 64 8.441 8.441 8.277 0.164 18269 6005 1 13 . 1 1 65 65 ALA N N 65 122.486 122.486 123.873 -1.387 18269 6006 1 13 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.486 -0.401 18269 6007 1 13 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.482 1.067 18269 6008 1 13 . 1 1 65 65 ALA CB C 65 19.557 19.557 19.970 -0.413 18269 6009 1 13 . 1 1 65 65 ALA H H 65 7.368 7.368 7.480 -0.112 18269 6010 1 13 . 1 1 66 66 ALA N N 66 124.171 124.171 120.674 3.497 18269 6011 1 13 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.245 0.199 18269 6012 1 13 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.126 0.345 18269 6013 1 13 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.332 -0.067 18269 6014 1 13 . 1 1 66 66 ALA H H 66 8.300 8.300 8.338 -0.038 18269 6015 1 13 . 1 1 67 67 THR N N 67 111.638 111.638 113.841 -2.203 18269 6016 1 13 . 1 1 67 67 THR HA H 67 4.496 4.496 4.183 0.313 18269 6017 1 13 . 1 1 67 67 THR CA C 67 60.881 60.881 64.103 -3.222 18269 6018 1 13 . 1 1 67 67 THR CB C 67 70.199 70.199 69.357 0.842 18269 6019 1 13 . 1 1 67 67 THR H H 67 7.730 7.730 8.167 -0.437 18269 6020 1 13 . 1 1 68 68 LYS N N 68 121.732 121.732 122.246 -0.514 18269 6021 1 13 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.107 0.429 18269 6022 1 13 . 1 1 68 68 LYS CA C 68 56.562 56.562 59.045 -2.483 18269 6023 1 13 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.085 1.014 18269 6024 1 13 . 1 1 68 68 LYS H H 68 8.502 8.502 8.097 0.405 18269 6025 1 13 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.898 0.441 18269 6026 1 13 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.195 -1.489 18269 6027 1 13 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.839 -0.039 18269 6028 1 13 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.920 0.211 18269 6029 1 13 . 1 1 70 70 LEU CA C 70 58.616 58.616 59.197 -0.581 18269 6030 1 13 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.036 0.702 18269 6031 1 13 . 1 1 71 71 SER HA H 71 4.817 4.817 4.281 0.536 18269 6032 1 13 . 1 1 71 71 SER CA C 71 60.667 60.667 61.101 -0.434 18269 6033 1 13 . 1 1 71 71 SER CB C 71 62.646 62.646 62.732 -0.086 18269 6034 1 13 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.119 0.145 18269 6035 1 13 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.838 -2.209 18269 6036 1 13 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.294 -1.047 18269 6037 1 13 . 1 1 73 73 VAL N N 73 114.786 114.786 118.834 -4.048 18269 6038 1 13 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.969 0.133 18269 6039 1 13 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.511 -1.770 18269 6040 1 13 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.340 0.925 18269 6041 1 13 . 1 1 73 73 VAL H H 73 7.812 7.812 7.698 0.114 18269 6042 1 13 . 1 1 74 74 THR HA H 74 3.767 3.767 4.035 -0.268 18269 6043 1 13 . 1 1 74 74 THR CA C 74 65.584 65.584 66.483 -0.899 18269 6044 1 13 . 1 1 74 74 THR CB C 74 67.470 67.470 68.332 -0.862 18269 6045 1 13 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.173 0.073 18269 6046 1 13 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.997 0.386 18269 6047 1 13 . 1 1 75 75 ARG CB C 75 28.620 28.620 28.299 0.321 18269 6048 1 13 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.338 0.147 18269 6049 1 13 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.393 0.304 18269 6050 1 13 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.363 -0.468 18269 6051 1 13 . 1 1 77 77 MET N N 77 117.583 117.583 116.015 1.568 18269 6052 1 13 . 1 1 77 77 MET HA H 77 4.684 4.684 4.333 0.351 18269 6053 1 13 . 1 1 77 77 MET CA C 77 59.347 59.347 56.856 2.491 18269 6054 1 13 . 1 1 77 77 MET CB C 77 32.996 32.996 30.966 2.030 18269 6055 1 13 . 1 1 77 77 MET H H 77 7.685 7.685 8.387 -0.702 18269 6056 1 13 . 1 1 78 78 SER N N 78 114.578 114.578 113.282 1.296 18269 6057 1 13 . 1 1 78 78 SER HA H 78 4.226 4.226 4.187 0.039 18269 6058 1 13 . 1 1 78 78 SER CA C 78 61.922 61.922 60.365 1.557 18269 6059 1 13 . 1 1 78 78 SER CB C 78 62.406 62.406 63.737 -1.331 18269 6060 1 13 . 1 1 78 78 SER H H 78 8.285 8.285 7.702 0.583 18269 6061 1 13 . 1 1 79 79 VAL N N 79 111.248 111.248 118.905 -7.657 18269 6062 1 13 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.163 0.588 18269 6063 1 13 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.530 -0.404 18269 6064 1 13 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.775 -4.429 18269 6065 1 13 . 1 1 79 79 VAL H H 79 7.004 7.004 7.466 -0.462 18269 6066 1 13 . 1 1 80 80 HIS N N 80 116.703 116.703 119.414 -2.711 18269 6067 1 13 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.675 -0.559 18269 6068 1 13 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.147 -0.321 18269 6069 1 13 . 1 1 80 80 HIS CB C 80 25.889 25.889 30.107 -4.218 18269 6070 1 13 . 1 1 80 80 HIS H H 80 8.289 8.289 8.505 -0.216 18269 6071 1 13 . 1 1 81 81 MET N N 81 120.978 120.978 122.494 -1.516 18269 6072 1 13 . 1 1 81 81 MET HA H 81 4.512 4.512 4.823 -0.311 18269 6073 1 13 . 1 1 81 81 MET CA C 81 55.007 55.007 52.124 2.883 18269 6074 1 13 . 1 1 81 81 MET CB C 81 33.265 33.265 34.143 -0.878 18269 6075 1 13 . 1 1 81 81 MET H H 81 8.006 8.006 8.484 -0.478 18269 6076 1 13 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.223 0.118 18269 6077 1 13 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.553 -1.317 18269 6078 1 13 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.683 1.980 18269 6079 1 13 . 1 1 83 83 ALA N N 83 126.545 126.545 121.491 5.054 18269 6080 1 13 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.892 0.054 18269 6081 1 13 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.335 0.638 18269 6082 1 13 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.099 1.376 18269 6083 1 13 . 1 1 83 83 ALA H H 83 9.196 9.196 8.226 0.970 18269 6084 1 13 . 1 1 84 84 MET N N 84 114.734 114.734 114.918 -0.184 18269 6085 1 13 . 1 1 84 84 MET HA H 84 4.024 4.024 4.401 -0.377 18269 6086 1 13 . 1 1 84 84 MET CA C 84 58.812 58.812 57.427 1.385 18269 6087 1 13 . 1 1 84 84 MET CB C 84 32.242 32.242 31.180 1.062 18269 6088 1 13 . 1 1 84 84 MET H H 84 9.289 9.289 8.110 1.179 18269 6089 1 13 . 1 1 85 85 LYS N N 85 116.490 116.490 117.978 -1.488 18269 6090 1 13 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.684 -0.510 18269 6091 1 13 . 1 1 85 85 LYS CA C 85 58.116 58.116 57.505 0.611 18269 6092 1 13 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.747 -0.954 18269 6093 1 13 . 1 1 85 85 LYS H H 85 6.997 6.997 8.477 -1.480 18269 6094 1 13 . 1 1 86 86 ILE N N 86 120.561 120.561 121.601 -1.040 18269 6095 1 13 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.688 -0.073 18269 6096 1 13 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.188 1.090 18269 6097 1 13 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.894 -0.374 18269 6098 1 13 . 1 1 86 86 ILE H H 86 7.875 7.875 7.395 0.480 18269 6099 1 13 . 1 1 87 87 CYS N N 87 117.323 117.323 118.306 -0.983 18269 6100 1 13 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.145 -0.069 18269 6101 1 13 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.919 -0.859 18269 6102 1 13 . 1 1 87 87 CYS CB C 87 42.733 42.733 26.047 16.686 18269 6103 1 13 . 1 1 87 87 CYS H H 87 8.643 8.643 7.877 0.766 18269 6104 1 13 . 1 1 88 88 GLU N N 88 118.070 118.070 119.324 -1.254 18269 6105 1 13 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.040 -0.092 18269 6106 1 13 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.967 0.796 18269 6107 1 13 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.549 0.215 18269 6108 1 13 . 1 1 88 88 GLU H H 88 8.045 8.045 7.699 0.346 18269 6109 1 13 . 1 1 89 89 LYS N N 89 119.719 119.719 120.821 -1.102 18269 6110 1 13 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.104 0.034 18269 6111 1 13 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.038 0.092 18269 6112 1 13 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.434 -0.731 18269 6113 1 13 . 1 1 89 89 LYS H H 89 7.530 7.530 8.104 -0.574 18269 6114 1 13 . 1 1 90 90 LEU N N 90 119.550 119.550 119.211 0.339 18269 6115 1 13 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.113 -0.148 18269 6116 1 13 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.718 0.625 18269 6117 1 13 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.373 -0.382 18269 6118 1 13 . 1 1 90 90 LEU H H 90 8.422 8.422 8.263 0.159 18269 6119 1 13 . 1 1 91 91 LYS N N 91 119.180 119.180 119.039 0.141 18269 6120 1 13 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.341 -0.479 18269 6121 1 13 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.398 0.207 18269 6122 1 13 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.133 0.344 18269 6123 1 13 . 1 1 91 91 LYS H H 91 8.218 8.218 7.562 0.655 18269 6124 1 13 . 1 1 92 92 LYS N N 92 113.632 113.632 118.885 -5.253 18269 6125 1 13 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.130 -0.077 18269 6126 1 13 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.475 -0.917 18269 6127 1 13 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.201 -0.267 18269 6128 1 13 . 1 1 92 92 LYS H H 92 6.984 6.984 7.371 -0.387 18269 6129 1 13 . 1 1 93 93 LEU N N 93 119.104 119.104 119.376 -0.272 18269 6130 1 13 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.364 -0.074 18269 6131 1 13 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.666 -0.562 18269 6132 1 13 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.064 -0.962 18269 6133 1 13 . 1 1 93 93 LEU H H 93 7.456 7.456 7.493 -0.037 18269 6134 1 13 . 1 1 94 94 ASP N N 94 116.790 116.790 116.651 0.139 18269 6135 1 13 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.873 -0.317 18269 6136 1 13 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.508 0.858 18269 6137 1 13 . 1 1 94 94 ASP CB C 94 41.173 41.173 43.535 -2.362 18269 6138 1 13 . 1 1 94 94 ASP H H 94 7.911 7.911 8.331 -0.420 18269 6139 1 13 . 1 1 95 95 SER N N 95 122.399 122.399 120.631 1.768 18269 6140 1 13 . 1 1 95 95 SER HA H 95 4.186 4.186 4.316 -0.130 18269 6141 1 13 . 1 1 95 95 SER CA C 95 61.472 61.472 60.933 0.539 18269 6142 1 13 . 1 1 95 95 SER CB C 95 62.568 62.568 63.530 -0.962 18269 6143 1 13 . 1 1 95 95 SER H H 95 8.894 8.894 8.880 0.014 18269 6144 1 13 . 1 1 96 96 GLN N N 96 120.800 120.800 121.178 -0.378 18269 6145 1 13 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.368 -0.506 18269 6146 1 13 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.011 1.140 18269 6147 1 13 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.621 -0.204 18269 6148 1 13 . 1 1 96 96 GLN H H 96 8.610 8.610 8.167 0.443 18269 6149 1 13 . 1 1 97 97 ILE N N 97 117.387 117.387 120.372 -2.985 18269 6150 1 13 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.429 -0.030 18269 6151 1 13 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.634 2.197 18269 6152 1 13 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.102 0.172 18269 6153 1 13 . 1 1 97 97 ILE H H 97 7.470 7.470 7.938 -0.468 18269 6154 1 13 . 1 1 98 98 CYS N N 98 113.485 113.485 113.796 -0.311 18269 6155 1 13 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.499 0.572 18269 6156 1 13 . 1 1 98 98 CYS CA C 98 61.973 61.973 58.181 3.792 18269 6157 1 13 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.388 21.198 18269 6158 1 13 . 1 1 98 98 CYS H H 98 7.410 7.410 7.887 -0.477 18269 6159 1 13 . 1 1 99 99 GLU N N 99 119.123 119.123 122.576 -3.453 18269 6160 1 13 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.090 0.233 18269 6161 1 13 . 1 1 99 99 GLU CA C 99 56.726 56.726 58.592 -1.866 18269 6162 1 13 . 1 1 99 99 GLU CB C 99 29.979 29.979 29.766 0.213 18269 6163 1 13 . 1 1 99 99 GLU H H 99 7.308 7.308 7.586 -0.278 18269 6164 1 13 . 1 1 100 100 LEU N N 100 115.771 115.771 116.079 -0.308 18269 6165 1 13 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.744 0.553 18269 6166 1 13 . 1 1 100 100 LEU CA C 100 55.682 55.682 57.483 -1.801 18269 6167 1 13 . 1 1 100 100 LEU CB C 100 42.961 42.961 41.455 1.506 18269 6168 1 13 . 1 1 100 100 LEU H H 100 6.496 6.496 8.248 -1.752 18269 6169 1 13 . 1 1 101 101 LYS N N 101 125.672 125.672 115.811 9.861 18269 6170 1 13 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.080 0.514 18269 6171 1 13 . 1 1 101 101 LYS CA C 101 55.350 55.350 57.198 -1.848 18269 6172 1 13 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.407 4.316 18269 6173 1 13 . 1 1 101 101 LYS H H 101 8.575 8.575 7.953 0.622 18269 6174 1 13 . 1 1 102 102 TYR N N 102 120.395 120.395 123.743 -3.348 18269 6175 1 13 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.262 0.120 18269 6176 1 13 . 1 1 102 102 TYR CA C 102 60.024 60.024 58.541 1.483 18269 6177 1 13 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.736 -0.408 18269 6178 1 13 . 1 1 102 102 TYR H H 102 8.756 8.756 8.695 0.061 18269 6179 1 13 . 1 1 103 103 GLU N N 103 121.550 121.550 119.930 1.620 18269 6180 1 13 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.152 0.240 18269 6181 1 13 . 1 1 103 103 GLU CA C 103 56.327 56.327 58.180 -1.853 18269 6182 1 13 . 1 1 103 103 GLU CB C 103 30.302 30.302 29.293 1.009 18269 6183 1 13 . 1 1 103 103 GLU H H 103 8.835 8.835 8.780 0.056 18269 6184 1 13 . 1 1 104 104 LYS N N 104 122.957 122.957 115.569 7.388 18269 6185 1 13 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.154 0.307 18269 6186 1 13 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.506 -1.232 18269 6187 1 13 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.221 0.826 18269 6188 1 13 . 1 1 104 104 LYS H H 104 8.490 8.490 8.419 0.071 18269 6189 1 14 . 1 1 2 2 GLU N N 2 121.590 121.590 121.908 -0.318 18269 6190 1 14 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.265 0.029 18269 6191 1 14 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.014 -0.497 18269 6192 1 14 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.523 0.628 18269 6193 1 14 . 1 1 2 2 GLU H H 2 8.621 8.621 8.786 -0.165 18269 6194 1 14 . 1 1 3 3 ALA N N 3 125.815 125.815 123.152 2.663 18269 6195 1 14 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.507 -0.141 18269 6196 1 14 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.419 0.238 18269 6197 1 14 . 1 1 3 3 ALA CB C 3 18.947 18.947 19.447 -0.500 18269 6198 1 14 . 1 1 3 3 ALA H H 3 8.598 8.598 8.477 0.121 18269 6199 1 14 . 1 1 4 4 GLY N N 4 108.386 108.386 111.434 -3.048 18269 6200 1 14 . 1 1 4 4 GLY CA C 4 45.137 45.137 46.036 -0.899 18269 6201 1 14 . 1 1 4 4 GLY H H 4 8.487 8.487 8.629 -0.142 18269 6202 1 14 . 1 1 5 5 GLY N N 5 108.367 108.367 110.069 -1.702 18269 6203 1 14 . 1 1 5 5 GLY CA C 5 44.754 44.754 43.984 0.770 18269 6204 1 14 . 1 1 5 5 GLY H H 5 8.274 8.274 8.052 0.223 18269 6205 1 14 . 1 1 6 6 ARG N N 6 121.577 121.577 117.590 3.987 18269 6206 1 14 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.171 0.504 18269 6207 1 14 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.573 -1.692 18269 6208 1 14 . 1 1 6 6 ARG CB C 6 30.135 30.135 29.028 1.107 18269 6209 1 14 . 1 1 6 6 ARG H H 6 8.297 8.297 8.136 0.161 18269 6210 1 14 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.625 -0.134 18269 6211 1 14 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.303 1.050 18269 6212 1 14 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.494 1.553 18269 6213 1 14 . 1 1 8 8 GLY N N 8 109.658 109.658 107.876 1.782 18269 6214 1 14 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.118 -1.030 18269 6215 1 14 . 1 1 8 8 GLY H H 8 8.660 8.660 8.503 0.157 18269 6216 1 14 . 1 1 9 9 ALA N N 9 123.995 123.995 120.800 3.195 18269 6217 1 14 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.716 -0.276 18269 6218 1 14 . 1 1 9 9 ALA CA C 9 51.797 51.797 53.097 -1.300 18269 6219 1 14 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.288 -0.009 18269 6220 1 14 . 1 1 9 9 ALA H H 9 8.200 8.200 7.637 0.563 18269 6221 1 14 . 1 1 10 10 ASP N N 10 119.834 119.834 116.730 3.104 18269 6222 1 14 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.708 -0.051 18269 6223 1 14 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.942 -0.402 18269 6224 1 14 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.646 -1.140 18269 6225 1 14 . 1 1 10 10 ASP H H 10 8.290 8.290 8.613 -0.323 18269 6226 1 14 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.478 0.152 18269 6227 1 14 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.933 -5.175 18269 6228 1 14 . 1 1 11 11 CYS CB C 11 40.460 40.460 27.790 12.670 18269 6229 1 14 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.337 -0.373 18269 6230 1 14 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.232 4.145 18269 6231 1 14 . 1 1 12 12 GLU CB C 12 31.255 31.255 30.349 0.906 18269 6232 1 14 . 1 1 13 13 VAL N N 13 117.224 117.224 120.847 -3.623 18269 6233 1 14 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.810 -0.064 18269 6234 1 14 . 1 1 13 13 VAL CA C 13 65.046 65.046 67.073 -2.027 18269 6235 1 14 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.270 -0.052 18269 6236 1 14 . 1 1 13 13 VAL H H 13 7.040 7.040 8.314 -1.274 18269 6237 1 14 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.123 -0.038 18269 6238 1 14 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.352 -0.907 18269 6239 1 14 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.037 15.182 18269 6240 1 14 . 1 1 15 15 LYS HA H 15 4.059 4.059 3.921 0.138 18269 6241 1 14 . 1 1 15 15 LYS CA C 15 57.571 57.571 60.161 -2.590 18269 6242 1 14 . 1 1 15 15 LYS CB C 15 32.250 32.250 32.102 0.148 18269 6243 1 14 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.174 0.157 18269 6244 1 14 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.397 -0.223 18269 6245 1 14 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.510 -0.104 18269 6246 1 14 . 1 1 16 16 GLU H H 16 8.098 8.098 8.368 -0.270 18269 6247 1 14 . 1 1 17 17 PHE N N 17 120.745 120.745 121.383 -0.638 18269 6248 1 14 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.612 -0.297 18269 6249 1 14 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.917 0.597 18269 6250 1 14 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.408 1.105 18269 6251 1 14 . 1 1 17 17 PHE H H 17 9.126 9.126 8.586 0.540 18269 6252 1 14 . 1 1 18 18 LEU N N 18 115.787 115.787 119.151 -3.364 18269 6253 1 14 . 1 1 18 18 LEU HA H 18 4.143 4.143 4.010 0.133 18269 6254 1 14 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.462 -0.585 18269 6255 1 14 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.566 -0.615 18269 6256 1 14 . 1 1 18 18 LEU H H 18 8.505 8.505 8.214 0.291 18269 6257 1 14 . 1 1 19 19 ASN N N 19 117.635 117.635 116.885 0.750 18269 6258 1 14 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.454 0.422 18269 6259 1 14 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.558 -0.084 18269 6260 1 14 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.992 -0.665 18269 6261 1 14 . 1 1 19 19 ASN H H 19 8.405 8.405 8.297 0.108 18269 6262 1 14 . 1 1 20 20 ARG N N 20 122.851 122.851 120.450 2.401 18269 6263 1 14 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.127 -0.010 18269 6264 1 14 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.328 0.961 18269 6265 1 14 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.233 0.222 18269 6266 1 14 . 1 1 20 20 ARG H H 20 8.325 8.325 8.184 0.141 18269 6267 1 14 . 1 1 21 21 PHE N N 21 121.774 121.774 121.154 0.620 18269 6268 1 14 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.104 0.176 18269 6269 1 14 . 1 1 21 21 PHE CA C 21 59.011 59.011 61.649 -2.638 18269 6270 1 14 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.365 -0.354 18269 6271 1 14 . 1 1 21 21 PHE H H 21 8.438 8.438 8.600 -0.162 18269 6272 1 14 . 1 1 22 22 TYR N N 22 119.937 119.937 119.134 0.803 18269 6273 1 14 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.905 -0.116 18269 6274 1 14 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.545 -0.893 18269 6275 1 14 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.455 -0.181 18269 6276 1 14 . 1 1 22 22 TYR H H 22 8.708 8.708 8.235 0.473 18269 6277 1 14 . 1 1 23 23 LYS N N 23 116.431 116.431 117.075 -0.644 18269 6278 1 14 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.045 -0.186 18269 6279 1 14 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.739 0.404 18269 6280 1 14 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.394 0.823 18269 6281 1 14 . 1 1 23 23 LYS H H 23 7.928 7.928 7.924 0.004 18269 6282 1 14 . 1 1 24 24 SER N N 24 113.888 113.888 117.773 -3.885 18269 6283 1 14 . 1 1 24 24 SER HA H 24 4.325 4.325 4.203 0.122 18269 6284 1 14 . 1 1 24 24 SER CA C 24 61.016 61.016 62.531 -1.515 18269 6285 1 14 . 1 1 24 24 SER CB C 24 62.837 62.837 62.904 -0.067 18269 6286 1 14 . 1 1 24 24 SER H H 24 7.665 7.665 7.825 -0.160 18269 6287 1 14 . 1 1 25 25 LEU N N 25 119.663 119.663 122.172 -2.509 18269 6288 1 14 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.869 -0.190 18269 6289 1 14 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.719 -0.214 18269 6290 1 14 . 1 1 25 25 LEU CB C 25 41.902 41.902 40.373 1.528 18269 6291 1 14 . 1 1 25 25 LEU H H 25 7.573 7.573 7.725 -0.152 18269 6292 1 14 . 1 1 26 26 ILE N N 26 119.781 119.781 118.853 0.928 18269 6293 1 14 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.665 0.191 18269 6294 1 14 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.810 -0.261 18269 6295 1 14 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.477 0.828 18269 6296 1 14 . 1 1 26 26 ILE H H 26 8.094 8.094 7.772 0.322 18269 6297 1 14 . 1 1 27 27 ASP N N 27 122.421 122.421 120.125 2.296 18269 6298 1 14 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.440 -0.064 18269 6299 1 14 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.631 0.389 18269 6300 1 14 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.227 -1.147 18269 6301 1 14 . 1 1 27 27 ASP H H 27 9.091 9.091 7.736 1.355 18269 6302 1 14 . 1 1 28 28 ARG N N 28 115.349 115.349 116.813 -1.464 18269 6303 1 14 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.217 0.088 18269 6304 1 14 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.407 0.091 18269 6305 1 14 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.440 1.173 18269 6306 1 14 . 1 1 28 28 ARG H H 28 7.587 7.587 8.215 -0.628 18269 6307 1 14 . 1 1 29 29 GLY N N 29 109.999 109.999 109.484 0.515 18269 6308 1 14 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.170 1.491 18269 6309 1 14 . 1 1 29 29 GLY H H 29 7.909 7.909 8.026 -0.117 18269 6310 1 14 . 1 1 30 30 VAL N N 30 118.740 118.740 118.969 -0.229 18269 6311 1 14 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.487 -0.728 18269 6312 1 14 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.260 1.210 18269 6313 1 14 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.314 0.012 18269 6314 1 14 . 1 1 30 30 VAL H H 30 7.701 7.701 8.115 -0.414 18269 6315 1 14 . 1 1 31 31 ASN N N 31 123.250 123.250 123.212 0.038 18269 6316 1 14 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.595 0.118 18269 6317 1 14 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.315 0.173 18269 6318 1 14 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.497 -0.286 18269 6319 1 14 . 1 1 31 31 ASN H H 31 8.498 8.498 8.534 -0.036 18269 6320 1 14 . 1 1 32 32 PHE N N 32 126.076 126.076 117.400 8.676 18269 6321 1 14 . 1 1 32 32 PHE HA H 32 4.138 4.138 5.017 -0.879 18269 6322 1 14 . 1 1 32 32 PHE CA C 32 58.647 58.647 56.947 1.700 18269 6323 1 14 . 1 1 32 32 PHE CB C 32 36.779 36.779 40.307 -3.529 18269 6324 1 14 . 1 1 32 32 PHE H H 32 8.783 8.783 8.015 0.768 18269 6325 1 14 . 1 1 33 33 SER N N 33 115.958 115.958 117.019 -1.061 18269 6326 1 14 . 1 1 33 33 SER HA H 33 4.736 4.736 4.696 0.040 18269 6327 1 14 . 1 1 33 33 SER CA C 33 56.745 56.745 56.852 -0.107 18269 6328 1 14 . 1 1 33 33 SER CB C 33 64.899 64.899 64.856 0.043 18269 6329 1 14 . 1 1 33 33 SER H H 33 7.699 7.699 7.927 -0.228 18269 6330 1 14 . 1 1 34 34 LEU N N 34 124.359 124.359 126.869 -2.510 18269 6331 1 14 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.150 -0.297 18269 6332 1 14 . 1 1 34 34 LEU CA C 34 59.671 59.671 57.811 1.860 18269 6333 1 14 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.469 0.077 18269 6334 1 14 . 1 1 34 34 LEU H H 34 8.935 8.935 8.959 -0.024 18269 6335 1 14 . 1 1 35 35 ASP N N 35 115.345 115.345 116.439 -1.094 18269 6336 1 14 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.540 -0.162 18269 6337 1 14 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.190 -0.332 18269 6338 1 14 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.419 -0.259 18269 6339 1 14 . 1 1 35 35 ASP H H 35 8.575 8.575 8.524 0.051 18269 6340 1 14 . 1 1 36 36 THR N N 36 116.789 116.789 116.606 0.183 18269 6341 1 14 . 1 1 36 36 THR HA H 36 4.015 4.015 4.206 -0.191 18269 6342 1 14 . 1 1 36 36 THR CA C 36 66.069 66.069 66.428 -0.359 18269 6343 1 14 . 1 1 36 36 THR CB C 36 68.780 68.780 69.091 -0.312 18269 6344 1 14 . 1 1 36 36 THR H H 36 7.593 7.593 7.133 0.460 18269 6345 1 14 . 1 1 37 37 ILE N N 37 120.685 120.685 121.173 -0.488 18269 6346 1 14 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.793 -0.424 18269 6347 1 14 . 1 1 37 37 ILE CA C 37 65.800 65.800 62.980 2.820 18269 6348 1 14 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.052 1.039 18269 6349 1 14 . 1 1 37 37 ILE H H 37 8.436 8.436 8.741 -0.305 18269 6350 1 14 . 1 1 38 38 GLU N N 38 118.792 118.792 120.343 -1.551 18269 6351 1 14 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.944 -0.266 18269 6352 1 14 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.765 1.295 18269 6353 1 14 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.437 0.434 18269 6354 1 14 . 1 1 38 38 GLU H H 38 8.122 8.122 7.966 0.156 18269 6355 1 14 . 1 1 39 39 LYS N N 39 116.986 116.986 118.372 -1.386 18269 6356 1 14 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.260 -0.299 18269 6357 1 14 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.172 1.574 18269 6358 1 14 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.233 0.077 18269 6359 1 14 . 1 1 39 39 LYS H H 39 7.586 7.586 7.590 -0.004 18269 6360 1 14 . 1 1 40 40 GLU N N 40 117.892 117.892 120.908 -3.016 18269 6361 1 14 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.210 -0.005 18269 6362 1 14 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.931 -0.572 18269 6363 1 14 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.273 -0.694 18269 6364 1 14 . 1 1 40 40 GLU H H 40 8.690 8.690 8.645 0.045 18269 6365 1 14 . 1 1 41 41 LEU N N 41 125.830 125.830 120.190 5.640 18269 6366 1 14 . 1 1 41 41 LEU HA H 41 3.547 3.547 4.319 -0.772 18269 6367 1 14 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.042 -0.214 18269 6368 1 14 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.817 -1.479 18269 6369 1 14 . 1 1 41 41 LEU H H 41 8.978 8.978 8.530 0.448 18269 6370 1 14 . 1 1 42 42 ILE N N 42 119.900 119.900 119.727 0.173 18269 6371 1 14 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.717 -0.133 18269 6372 1 14 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.309 0.523 18269 6373 1 14 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.780 0.010 18269 6374 1 14 . 1 1 42 42 ILE H H 42 7.884 7.884 7.491 0.393 18269 6375 1 14 . 1 1 43 43 SER N N 43 114.071 114.071 115.728 -1.657 18269 6376 1 14 . 1 1 43 43 SER HA H 43 4.277 4.277 4.154 0.123 18269 6377 1 14 . 1 1 43 43 SER CA C 43 61.598 61.598 62.087 -0.489 18269 6378 1 14 . 1 1 43 43 SER CB C 43 62.767 62.767 63.298 -0.531 18269 6379 1 14 . 1 1 43 43 SER H H 43 7.791 7.791 8.504 -0.713 18269 6380 1 14 . 1 1 44 44 PHE N N 44 125.036 125.036 121.264 3.772 18269 6381 1 14 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.302 0.027 18269 6382 1 14 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.657 -0.400 18269 6383 1 14 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.475 1.156 18269 6384 1 14 . 1 1 44 44 PHE H H 44 9.060 9.060 8.880 0.180 18269 6385 1 14 . 1 1 45 45 CYS N N 45 112.824 112.824 120.021 -7.197 18269 6386 1 14 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.544 0.062 18269 6387 1 14 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.764 -2.528 18269 6388 1 14 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.919 16.703 18269 6389 1 14 . 1 1 45 45 CYS H H 45 8.254 8.254 8.229 0.025 18269 6390 1 14 . 1 1 46 46 LEU N N 46 123.875 123.875 118.781 5.094 18269 6391 1 14 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.320 -0.145 18269 6392 1 14 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.595 1.556 18269 6393 1 14 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.218 0.034 18269 6394 1 14 . 1 1 46 46 LEU H H 46 7.776 7.776 7.987 -0.211 18269 6395 1 14 . 1 1 47 47 ASP N N 47 116.880 116.880 117.488 -0.608 18269 6396 1 14 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.654 0.256 18269 6397 1 14 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.001 -1.416 18269 6398 1 14 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.761 -1.386 18269 6399 1 14 . 1 1 47 47 ASP H H 47 7.852 7.852 7.856 -0.004 18269 6400 1 14 . 1 1 48 48 THR N N 48 108.053 108.053 112.423 -4.370 18269 6401 1 14 . 1 1 48 48 THR HA H 48 4.461 4.461 4.323 0.138 18269 6402 1 14 . 1 1 48 48 THR CA C 48 60.844 60.844 60.863 -0.019 18269 6403 1 14 . 1 1 48 48 THR CB C 48 73.395 73.395 70.152 3.243 18269 6404 1 14 . 1 1 48 48 THR H H 48 7.139 7.139 7.314 -0.175 18269 6405 1 14 . 1 1 49 49 LYS N N 49 118.308 118.308 119.001 -0.693 18269 6406 1 14 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.396 0.322 18269 6407 1 14 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.645 -1.601 18269 6408 1 14 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.574 2.996 18269 6409 1 14 . 1 1 49 49 LYS H H 49 8.755 8.755 8.188 0.567 18269 6410 1 14 . 1 1 50 50 GLY N N 50 108.996 108.996 109.073 -0.077 18269 6411 1 14 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.631 -0.788 18269 6412 1 14 . 1 1 50 50 GLY H H 50 8.866 8.866 8.775 0.091 18269 6413 1 14 . 1 1 51 51 LYS N N 51 126.155 126.155 120.505 5.650 18269 6414 1 14 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.015 -0.045 18269 6415 1 14 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.450 -1.340 18269 6416 1 14 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.708 0.911 18269 6417 1 14 . 1 1 51 51 LYS H H 51 9.254 9.254 8.436 0.818 18269 6418 1 14 . 1 1 52 52 GLU N N 52 116.496 116.496 119.141 -2.645 18269 6419 1 14 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.258 -0.735 18269 6420 1 14 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.379 0.011 18269 6421 1 14 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.455 -0.769 18269 6422 1 14 . 1 1 52 52 GLU H H 52 8.223 8.223 8.058 0.165 18269 6423 1 14 . 1 1 53 53 ASN N N 53 119.000 119.000 118.365 0.635 18269 6424 1 14 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.755 -0.371 18269 6425 1 14 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.767 1.211 18269 6426 1 14 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.542 0.904 18269 6427 1 14 . 1 1 53 53 ASN H H 53 6.840 6.840 8.709 -1.869 18269 6428 1 14 . 1 1 54 54 ARG N N 54 118.480 118.480 119.514 -1.034 18269 6429 1 14 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.133 -0.364 18269 6430 1 14 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.590 -0.193 18269 6431 1 14 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.047 -1.306 18269 6432 1 14 . 1 1 54 54 ARG H H 54 7.456 7.456 8.013 -0.557 18269 6433 1 14 . 1 1 55 55 LEU N N 55 118.688 118.688 121.709 -3.021 18269 6434 1 14 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.336 -0.528 18269 6435 1 14 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.719 0.740 18269 6436 1 14 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.837 -1.717 18269 6437 1 14 . 1 1 55 55 LEU H H 55 7.843 7.843 8.097 -0.254 18269 6438 1 14 . 1 1 56 56 CYS N N 56 115.905 115.905 116.995 -1.090 18269 6439 1 14 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.829 0.044 18269 6440 1 14 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.128 1.909 18269 6441 1 14 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.451 16.454 18269 6442 1 14 . 1 1 56 56 CYS H H 56 7.752 7.752 7.937 -0.185 18269 6443 1 14 . 1 1 57 57 TYR N N 57 121.810 121.810 119.855 1.955 18269 6444 1 14 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.110 0.033 18269 6445 1 14 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.937 0.378 18269 6446 1 14 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.593 -0.539 18269 6447 1 14 . 1 1 57 57 TYR H H 57 7.911 7.911 7.677 0.234 18269 6448 1 14 . 1 1 58 58 TYR N N 58 121.916 121.916 115.464 6.452 18269 6449 1 14 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.405 -0.030 18269 6450 1 14 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.472 -1.463 18269 6451 1 14 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.915 -0.891 18269 6452 1 14 . 1 1 58 58 TYR H H 58 8.334 8.334 7.510 0.824 18269 6453 1 14 . 1 1 59 59 LEU N N 59 114.461 114.461 116.704 -2.243 18269 6454 1 14 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.388 -0.268 18269 6455 1 14 . 1 1 59 59 LEU CA C 59 55.229 55.229 53.857 1.372 18269 6456 1 14 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.516 0.529 18269 6457 1 14 . 1 1 59 59 LEU H H 59 8.079 8.079 7.285 0.794 18269 6458 1 14 . 1 1 60 60 GLY N N 60 102.559 102.559 107.495 -4.936 18269 6459 1 14 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.210 0.362 18269 6460 1 14 . 1 1 60 60 GLY H H 60 7.562 7.562 7.843 -0.281 18269 6461 1 14 . 1 1 61 61 ALA N N 61 120.327 120.327 124.202 -3.875 18269 6462 1 14 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.716 -0.315 18269 6463 1 14 . 1 1 61 61 ALA CA C 61 51.265 51.265 50.416 0.849 18269 6464 1 14 . 1 1 61 61 ALA CB C 61 20.337 20.337 21.854 -1.517 18269 6465 1 14 . 1 1 61 61 ALA H H 61 7.995 7.995 7.501 0.494 18269 6466 1 14 . 1 1 62 62 THR N N 62 106.895 106.895 109.107 -2.212 18269 6467 1 14 . 1 1 62 62 THR HA H 62 4.518 4.518 3.992 0.526 18269 6468 1 14 . 1 1 62 62 THR CA C 62 59.982 59.982 62.533 -2.551 18269 6469 1 14 . 1 1 62 62 THR CB C 62 70.540 70.540 68.350 2.190 18269 6470 1 14 . 1 1 62 62 THR H H 62 7.156 7.156 8.537 -1.381 18269 6471 1 14 . 1 1 63 63 LYS N N 63 121.251 121.251 123.912 -2.661 18269 6472 1 14 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.319 -0.222 18269 6473 1 14 . 1 1 63 63 LYS CA C 63 58.272 58.272 56.389 1.883 18269 6474 1 14 . 1 1 63 63 LYS CB C 63 32.155 32.155 30.290 1.865 18269 6475 1 14 . 1 1 63 63 LYS H H 63 8.626 8.626 8.672 -0.046 18269 6476 1 14 . 1 1 64 64 ASP N N 64 116.607 116.607 118.942 -2.335 18269 6477 1 14 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.553 0.004 18269 6478 1 14 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.567 -0.665 18269 6479 1 14 . 1 1 64 64 ASP CB C 64 40.106 40.106 42.104 -1.998 18269 6480 1 14 . 1 1 64 64 ASP H H 64 8.441 8.441 8.000 0.441 18269 6481 1 14 . 1 1 65 65 ALA N N 65 122.486 122.486 121.893 0.593 18269 6482 1 14 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.290 -0.205 18269 6483 1 14 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.991 1.558 18269 6484 1 14 . 1 1 65 65 ALA CB C 65 19.557 19.557 19.953 -0.396 18269 6485 1 14 . 1 1 65 65 ALA H H 65 7.368 7.368 7.058 0.310 18269 6486 1 14 . 1 1 66 66 ALA N N 66 124.171 124.171 120.309 3.862 18269 6487 1 14 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.082 0.362 18269 6488 1 14 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.858 -0.386 18269 6489 1 14 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.188 1.077 18269 6490 1 14 . 1 1 66 66 ALA H H 66 8.300 8.300 8.611 -0.311 18269 6491 1 14 . 1 1 67 67 THR N N 67 111.638 111.638 119.282 -7.644 18269 6492 1 14 . 1 1 67 67 THR HA H 67 4.496 4.496 4.091 0.405 18269 6493 1 14 . 1 1 67 67 THR CA C 67 60.881 60.881 63.818 -2.937 18269 6494 1 14 . 1 1 67 67 THR CB C 67 70.199 70.199 69.104 1.095 18269 6495 1 14 . 1 1 67 67 THR H H 67 7.730 7.730 8.182 -0.452 18269 6496 1 14 . 1 1 68 68 LYS N N 68 121.732 121.732 121.586 0.146 18269 6497 1 14 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.236 0.300 18269 6498 1 14 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.537 -1.975 18269 6499 1 14 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.261 0.838 18269 6500 1 14 . 1 1 68 68 LYS H H 68 8.502 8.502 8.188 0.314 18269 6501 1 14 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.945 0.394 18269 6502 1 14 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.565 -1.859 18269 6503 1 14 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.290 0.510 18269 6504 1 14 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.148 -0.017 18269 6505 1 14 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.794 0.822 18269 6506 1 14 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.782 -0.044 18269 6507 1 14 . 1 1 71 71 SER HA H 71 4.817 4.817 4.283 0.534 18269 6508 1 14 . 1 1 71 71 SER CA C 71 60.667 60.667 60.836 -0.169 18269 6509 1 14 . 1 1 71 71 SER CB C 71 62.646 62.646 63.090 -0.444 18269 6510 1 14 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.160 0.104 18269 6511 1 14 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.870 -2.241 18269 6512 1 14 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.596 -1.349 18269 6513 1 14 . 1 1 73 73 VAL N N 73 114.786 114.786 117.749 -2.963 18269 6514 1 14 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.880 0.222 18269 6515 1 14 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.981 -2.240 18269 6516 1 14 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.137 1.128 18269 6517 1 14 . 1 1 73 73 VAL H H 73 7.812 7.812 7.717 0.095 18269 6518 1 14 . 1 1 74 74 THR HA H 74 3.767 3.767 3.870 -0.103 18269 6519 1 14 . 1 1 74 74 THR CA C 74 65.584 65.584 66.145 -0.561 18269 6520 1 14 . 1 1 74 74 THR CB C 74 67.470 67.470 68.440 -0.970 18269 6521 1 14 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.212 0.034 18269 6522 1 14 . 1 1 75 75 ARG CA C 75 61.383 61.383 59.970 1.413 18269 6523 1 14 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.904 0.716 18269 6524 1 14 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.258 0.227 18269 6525 1 14 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.719 -0.022 18269 6526 1 14 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.377 -0.482 18269 6527 1 14 . 1 1 77 77 MET N N 77 117.583 117.583 113.682 3.901 18269 6528 1 14 . 1 1 77 77 MET HA H 77 4.684 4.684 3.961 0.723 18269 6529 1 14 . 1 1 77 77 MET CA C 77 59.347 59.347 56.529 2.818 18269 6530 1 14 . 1 1 77 77 MET CB C 77 32.996 32.996 31.372 1.623 18269 6531 1 14 . 1 1 77 77 MET H H 77 7.685 7.685 8.242 -0.557 18269 6532 1 14 . 1 1 78 78 SER N N 78 114.578 114.578 113.904 0.674 18269 6533 1 14 . 1 1 78 78 SER HA H 78 4.226 4.226 4.321 -0.095 18269 6534 1 14 . 1 1 78 78 SER CA C 78 61.922 61.922 59.656 2.266 18269 6535 1 14 . 1 1 78 78 SER CB C 78 62.406 62.406 63.503 -1.097 18269 6536 1 14 . 1 1 78 78 SER H H 78 8.285 8.285 7.492 0.793 18269 6537 1 14 . 1 1 79 79 VAL N N 79 111.248 111.248 117.063 -5.815 18269 6538 1 14 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.134 0.617 18269 6539 1 14 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.817 0.309 18269 6540 1 14 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.941 -4.595 18269 6541 1 14 . 1 1 79 79 VAL H H 79 7.004 7.004 7.552 -0.548 18269 6542 1 14 . 1 1 80 80 HIS N N 80 116.703 116.703 121.775 -5.072 18269 6543 1 14 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.674 -0.558 18269 6544 1 14 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.557 -0.731 18269 6545 1 14 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.180 -3.291 18269 6546 1 14 . 1 1 80 80 HIS H H 80 8.289 8.289 8.351 -0.062 18269 6547 1 14 . 1 1 81 81 MET N N 81 120.978 120.978 124.075 -3.097 18269 6548 1 14 . 1 1 81 81 MET HA H 81 4.512 4.512 4.882 -0.370 18269 6549 1 14 . 1 1 81 81 MET CA C 81 55.007 55.007 52.428 2.579 18269 6550 1 14 . 1 1 81 81 MET CB C 81 33.265 33.265 33.569 -0.304 18269 6551 1 14 . 1 1 81 81 MET H H 81 8.006 8.006 8.424 -0.418 18269 6552 1 14 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.234 0.107 18269 6553 1 14 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.720 -1.484 18269 6554 1 14 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.599 2.064 18269 6555 1 14 . 1 1 83 83 ALA N N 83 126.545 126.545 121.818 4.727 18269 6556 1 14 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.932 0.014 18269 6557 1 14 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.551 0.422 18269 6558 1 14 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.547 0.928 18269 6559 1 14 . 1 1 83 83 ALA H H 83 9.196 9.196 8.278 0.918 18269 6560 1 14 . 1 1 84 84 MET N N 84 114.734 114.734 116.100 -1.366 18269 6561 1 14 . 1 1 84 84 MET HA H 84 4.024 4.024 4.587 -0.563 18269 6562 1 14 . 1 1 84 84 MET CA C 84 58.812 58.812 57.391 1.421 18269 6563 1 14 . 1 1 84 84 MET CB C 84 32.242 32.242 31.527 0.715 18269 6564 1 14 . 1 1 84 84 MET H H 84 9.289 9.289 8.138 1.151 18269 6565 1 14 . 1 1 85 85 LYS N N 85 116.490 116.490 120.491 -4.001 18269 6566 1 14 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.258 -0.084 18269 6567 1 14 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.680 -0.564 18269 6568 1 14 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.152 -0.359 18269 6569 1 14 . 1 1 85 85 LYS H H 85 6.997 6.997 8.581 -1.584 18269 6570 1 14 . 1 1 86 86 ILE N N 86 120.561 120.561 121.127 -0.566 18269 6571 1 14 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.696 -0.081 18269 6572 1 14 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.188 1.090 18269 6573 1 14 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.829 -0.309 18269 6574 1 14 . 1 1 86 86 ILE H H 86 7.875 7.875 7.526 0.349 18269 6575 1 14 . 1 1 87 87 CYS N N 87 117.323 117.323 118.438 -1.115 18269 6576 1 14 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.103 -0.027 18269 6577 1 14 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.738 -0.678 18269 6578 1 14 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.738 16.995 18269 6579 1 14 . 1 1 87 87 CYS H H 87 8.643 8.643 7.913 0.730 18269 6580 1 14 . 1 1 88 88 GLU N N 88 118.070 118.070 119.231 -1.161 18269 6581 1 14 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.149 -0.201 18269 6582 1 14 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.732 1.031 18269 6583 1 14 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.101 0.663 18269 6584 1 14 . 1 1 88 88 GLU H H 88 8.045 8.045 8.483 -0.438 18269 6585 1 14 . 1 1 89 89 LYS N N 89 119.719 119.719 118.094 1.625 18269 6586 1 14 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.228 -0.090 18269 6587 1 14 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.043 1.087 18269 6588 1 14 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.552 -0.849 18269 6589 1 14 . 1 1 89 89 LYS H H 89 7.530 7.530 7.319 0.211 18269 6590 1 14 . 1 1 90 90 LEU N N 90 119.550 119.550 121.557 -2.007 18269 6591 1 14 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.095 -0.130 18269 6592 1 14 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.081 0.262 18269 6593 1 14 . 1 1 90 90 LEU CB C 90 40.991 40.991 40.858 0.133 18269 6594 1 14 . 1 1 90 90 LEU H H 90 8.422 8.422 8.123 0.299 18269 6595 1 14 . 1 1 91 91 LYS N N 91 119.180 119.180 118.194 0.986 18269 6596 1 14 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.154 -0.292 18269 6597 1 14 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.839 -0.234 18269 6598 1 14 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.089 0.388 18269 6599 1 14 . 1 1 91 91 LYS H H 91 8.218 8.218 7.506 0.712 18269 6600 1 14 . 1 1 92 92 LYS N N 92 113.632 113.632 116.890 -3.258 18269 6601 1 14 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.172 -0.119 18269 6602 1 14 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.594 -0.036 18269 6603 1 14 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.204 -0.270 18269 6604 1 14 . 1 1 92 92 LYS H H 92 6.984 6.984 7.403 -0.419 18269 6605 1 14 . 1 1 93 93 LEU N N 93 119.104 119.104 119.406 -0.302 18269 6606 1 14 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.334 -0.044 18269 6607 1 14 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.605 -0.501 18269 6608 1 14 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.206 -1.104 18269 6609 1 14 . 1 1 93 93 LEU H H 93 7.456 7.456 7.746 -0.290 18269 6610 1 14 . 1 1 94 94 ASP N N 94 116.790 116.790 115.021 1.769 18269 6611 1 14 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.758 -0.202 18269 6612 1 14 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.809 0.557 18269 6613 1 14 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.911 -1.738 18269 6614 1 14 . 1 1 94 94 ASP H H 94 7.911 7.911 7.981 -0.070 18269 6615 1 14 . 1 1 95 95 SER N N 95 122.399 122.399 120.009 2.390 18269 6616 1 14 . 1 1 95 95 SER HA H 95 4.186 4.186 4.249 -0.063 18269 6617 1 14 . 1 1 95 95 SER CA C 95 61.472 61.472 61.121 0.351 18269 6618 1 14 . 1 1 95 95 SER CB C 95 62.568 62.568 63.632 -1.064 18269 6619 1 14 . 1 1 95 95 SER H H 95 8.894 8.894 8.671 0.223 18269 6620 1 14 . 1 1 96 96 GLN N N 96 120.800 120.800 122.453 -1.653 18269 6621 1 14 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.032 -0.170 18269 6622 1 14 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.093 0.058 18269 6623 1 14 . 1 1 96 96 GLN CB C 96 28.417 28.417 27.980 0.437 18269 6624 1 14 . 1 1 96 96 GLN H H 96 8.610 8.610 7.699 0.911 18269 6625 1 14 . 1 1 97 97 ILE N N 97 117.387 117.387 117.693 -0.306 18269 6626 1 14 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.109 0.290 18269 6627 1 14 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.056 1.774 18269 6628 1 14 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.617 0.656 18269 6629 1 14 . 1 1 97 97 ILE H H 97 7.470 7.470 7.624 -0.154 18269 6630 1 14 . 1 1 98 98 CYS N N 98 113.485 113.485 117.256 -3.771 18269 6631 1 14 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.348 0.723 18269 6632 1 14 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.504 2.469 18269 6633 1 14 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.628 20.958 18269 6634 1 14 . 1 1 98 98 CYS H H 98 7.410 7.410 7.512 -0.102 18269 6635 1 14 . 1 1 99 99 GLU N N 99 119.123 119.123 120.566 -1.443 18269 6636 1 14 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.325 -0.002 18269 6637 1 14 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.772 0.954 18269 6638 1 14 . 1 1 99 99 GLU CB C 99 29.979 29.979 27.312 2.667 18269 6639 1 14 . 1 1 99 99 GLU H H 99 7.308 7.308 8.373 -1.065 18269 6640 1 14 . 1 1 100 100 LEU N N 100 115.771 115.771 120.941 -5.170 18269 6641 1 14 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.053 0.244 18269 6642 1 14 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.994 -0.312 18269 6643 1 14 . 1 1 100 100 LEU CB C 100 42.961 42.961 43.162 -0.201 18269 6644 1 14 . 1 1 100 100 LEU H H 100 6.496 6.496 7.379 -0.883 18269 6645 1 14 . 1 1 101 101 LYS N N 101 125.672 125.672 113.630 12.042 18269 6646 1 14 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.092 0.502 18269 6647 1 14 . 1 1 101 101 LYS CA C 101 55.350 55.350 57.000 -1.650 18269 6648 1 14 . 1 1 101 101 LYS CB C 101 35.723 35.723 30.355 5.368 18269 6649 1 14 . 1 1 101 101 LYS H H 101 8.575 8.575 7.901 0.674 18269 6650 1 14 . 1 1 102 102 TYR N N 102 120.395 120.395 122.866 -2.471 18269 6651 1 14 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.220 0.162 18269 6652 1 14 . 1 1 102 102 TYR CA C 102 60.024 60.024 61.418 -1.394 18269 6653 1 14 . 1 1 102 102 TYR CB C 102 38.328 38.328 39.063 -0.735 18269 6654 1 14 . 1 1 102 102 TYR H H 102 8.756 8.756 8.435 0.321 18269 6655 1 14 . 1 1 103 103 GLU N N 103 121.550 121.550 116.249 5.301 18269 6656 1 14 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.390 0.002 18269 6657 1 14 . 1 1 103 103 GLU CA C 103 56.327 56.327 55.914 0.413 18269 6658 1 14 . 1 1 103 103 GLU CB C 103 30.302 30.302 29.164 1.138 18269 6659 1 14 . 1 1 103 103 GLU H H 103 8.835 8.835 8.608 0.227 18269 6660 1 14 . 1 1 104 104 LYS N N 104 122.957 122.957 114.660 8.297 18269 6661 1 14 . 1 1 104 104 LYS HA H 104 4.461 4.461 3.975 0.486 18269 6662 1 14 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.720 -1.446 18269 6663 1 14 . 1 1 104 104 LYS CB C 104 33.047 33.047 30.732 2.315 18269 6664 1 14 . 1 1 104 104 LYS H H 104 8.490 8.490 8.613 -0.123 18269 6665 1 15 . 1 1 2 2 GLU N N 2 121.590 121.590 120.512 1.078 18269 6666 1 15 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.501 -0.207 18269 6667 1 15 . 1 1 2 2 GLU CA C 2 56.517 56.517 54.773 1.744 18269 6668 1 15 . 1 1 2 2 GLU CB C 2 30.151 30.151 30.480 -0.329 18269 6669 1 15 . 1 1 2 2 GLU H H 2 8.621 8.621 8.162 0.459 18269 6670 1 15 . 1 1 3 3 ALA N N 3 125.815 125.815 121.488 4.327 18269 6671 1 15 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.649 -0.283 18269 6672 1 15 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.098 1.559 18269 6673 1 15 . 1 1 3 3 ALA CB C 3 18.947 18.947 18.763 0.184 18269 6674 1 15 . 1 1 3 3 ALA H H 3 8.598 8.598 8.898 -0.300 18269 6675 1 15 . 1 1 4 4 GLY N N 4 108.386 108.386 110.661 -2.275 18269 6676 1 15 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.984 -0.847 18269 6677 1 15 . 1 1 4 4 GLY H H 4 8.487 8.487 9.059 -0.572 18269 6678 1 15 . 1 1 5 5 GLY N N 5 108.367 108.367 110.431 -2.064 18269 6679 1 15 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.207 0.547 18269 6680 1 15 . 1 1 5 5 GLY H H 5 8.274 8.274 8.123 0.151 18269 6681 1 15 . 1 1 6 6 ARG N N 6 121.577 121.577 116.127 5.450 18269 6682 1 15 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.295 0.380 18269 6683 1 15 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.518 -1.637 18269 6684 1 15 . 1 1 6 6 ARG CB C 6 30.135 30.135 27.956 2.179 18269 6685 1 15 . 1 1 6 6 ARG H H 6 8.297 8.297 8.020 0.277 18269 6686 1 15 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.414 0.077 18269 6687 1 15 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.991 0.362 18269 6688 1 15 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.339 1.708 18269 6689 1 15 . 1 1 8 8 GLY N N 8 109.658 109.658 105.812 3.846 18269 6690 1 15 . 1 1 8 8 GLY CA C 8 45.088 45.088 44.471 0.617 18269 6691 1 15 . 1 1 8 8 GLY H H 8 8.660 8.660 8.517 0.143 18269 6692 1 15 . 1 1 9 9 ALA N N 9 123.995 123.995 121.704 2.291 18269 6693 1 15 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.394 0.046 18269 6694 1 15 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.335 -0.538 18269 6695 1 15 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.866 0.413 18269 6696 1 15 . 1 1 9 9 ALA H H 9 8.200 8.200 7.243 0.957 18269 6697 1 15 . 1 1 10 10 ASP N N 10 119.834 119.834 118.650 1.184 18269 6698 1 15 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.700 -0.043 18269 6699 1 15 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.735 -0.195 18269 6700 1 15 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.908 -0.402 18269 6701 1 15 . 1 1 10 10 ASP H H 10 8.290 8.290 8.694 -0.404 18269 6702 1 15 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.413 0.217 18269 6703 1 15 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.712 -4.954 18269 6704 1 15 . 1 1 11 11 CYS CB C 11 40.460 40.460 25.341 15.119 18269 6705 1 15 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.837 0.127 18269 6706 1 15 . 1 1 12 12 GLU CA C 12 61.377 61.377 59.401 1.976 18269 6707 1 15 . 1 1 12 12 GLU CB C 12 31.255 31.255 28.368 2.887 18269 6708 1 15 . 1 1 13 13 VAL N N 13 117.224 117.224 119.688 -2.464 18269 6709 1 15 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.881 -0.135 18269 6710 1 15 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.523 -1.477 18269 6711 1 15 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.654 -0.436 18269 6712 1 15 . 1 1 13 13 VAL H H 13 7.040 7.040 8.402 -1.362 18269 6713 1 15 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.335 -0.250 18269 6714 1 15 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.009 0.436 18269 6715 1 15 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.064 15.155 18269 6716 1 15 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.181 -0.122 18269 6717 1 15 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.422 -1.851 18269 6718 1 15 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.683 0.567 18269 6719 1 15 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.210 0.121 18269 6720 1 15 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.401 -0.227 18269 6721 1 15 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.536 -0.130 18269 6722 1 15 . 1 1 16 16 GLU H H 16 8.098 8.098 8.366 -0.268 18269 6723 1 15 . 1 1 17 17 PHE N N 17 120.745 120.745 121.906 -1.161 18269 6724 1 15 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.442 -0.127 18269 6725 1 15 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.181 0.333 18269 6726 1 15 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.393 1.120 18269 6727 1 15 . 1 1 17 17 PHE H H 17 9.126 9.126 8.041 1.085 18269 6728 1 15 . 1 1 18 18 LEU N N 18 115.787 115.787 117.926 -2.139 18269 6729 1 15 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.985 0.158 18269 6730 1 15 . 1 1 18 18 LEU CA C 18 57.877 57.877 57.940 -0.063 18269 6731 1 15 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.475 -0.523 18269 6732 1 15 . 1 1 18 18 LEU H H 18 8.505 8.505 8.819 -0.314 18269 6733 1 15 . 1 1 19 19 ASN N N 19 117.635 117.635 118.219 -0.584 18269 6734 1 15 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.419 0.457 18269 6735 1 15 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.444 0.030 18269 6736 1 15 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.870 -0.542 18269 6737 1 15 . 1 1 19 19 ASN H H 19 8.405 8.405 8.049 0.356 18269 6738 1 15 . 1 1 20 20 ARG N N 20 122.851 122.851 120.075 2.776 18269 6739 1 15 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.197 -0.080 18269 6740 1 15 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.491 0.798 18269 6741 1 15 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.209 0.246 18269 6742 1 15 . 1 1 20 20 ARG H H 20 8.325 8.325 8.417 -0.092 18269 6743 1 15 . 1 1 21 21 PHE N N 21 121.774 121.774 120.247 1.527 18269 6744 1 15 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.103 0.177 18269 6745 1 15 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.636 -1.625 18269 6746 1 15 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.229 -0.218 18269 6747 1 15 . 1 1 21 21 PHE H H 21 8.438 8.438 8.214 0.224 18269 6748 1 15 . 1 1 22 22 TYR N N 22 119.937 119.937 119.985 -0.048 18269 6749 1 15 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.791 -0.002 18269 6750 1 15 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.946 -0.294 18269 6751 1 15 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.348 -0.074 18269 6752 1 15 . 1 1 22 22 TYR H H 22 8.708 8.708 8.160 0.548 18269 6753 1 15 . 1 1 23 23 LYS N N 23 116.431 116.431 117.909 -1.478 18269 6754 1 15 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.039 -0.180 18269 6755 1 15 . 1 1 23 23 LYS CA C 23 59.143 59.143 57.921 1.222 18269 6756 1 15 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.758 0.459 18269 6757 1 15 . 1 1 23 23 LYS H H 23 7.928 7.928 8.314 -0.386 18269 6758 1 15 . 1 1 24 24 SER N N 24 113.888 113.888 115.449 -1.561 18269 6759 1 15 . 1 1 24 24 SER HA H 24 4.325 4.325 4.237 0.088 18269 6760 1 15 . 1 1 24 24 SER CA C 24 61.016 61.016 61.547 -0.531 18269 6761 1 15 . 1 1 24 24 SER CB C 24 62.837 62.837 62.902 -0.065 18269 6762 1 15 . 1 1 24 24 SER H H 24 7.665 7.665 8.269 -0.604 18269 6763 1 15 . 1 1 25 25 LEU N N 25 119.663 119.663 122.917 -3.254 18269 6764 1 15 . 1 1 25 25 LEU HA H 25 3.679 3.679 4.010 -0.331 18269 6765 1 15 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.621 -0.116 18269 6766 1 15 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.510 0.392 18269 6767 1 15 . 1 1 25 25 LEU H H 25 7.573 7.573 7.435 0.138 18269 6768 1 15 . 1 1 26 26 ILE N N 26 119.781 119.781 120.398 -0.617 18269 6769 1 15 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.613 0.243 18269 6770 1 15 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.916 -0.367 18269 6771 1 15 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.736 0.569 18269 6772 1 15 . 1 1 26 26 ILE H H 26 8.094 8.094 7.705 0.389 18269 6773 1 15 . 1 1 27 27 ASP N N 27 122.421 122.421 119.892 2.529 18269 6774 1 15 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.394 -0.018 18269 6775 1 15 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.623 0.397 18269 6776 1 15 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.134 -1.054 18269 6777 1 15 . 1 1 27 27 ASP H H 27 9.091 9.091 7.952 1.139 18269 6778 1 15 . 1 1 28 28 ARG N N 28 115.349 115.349 117.645 -2.296 18269 6779 1 15 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.350 -0.045 18269 6780 1 15 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.316 0.182 18269 6781 1 15 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.672 0.941 18269 6782 1 15 . 1 1 28 28 ARG H H 28 7.587 7.587 7.646 -0.059 18269 6783 1 15 . 1 1 29 29 GLY N N 29 109.999 109.999 108.044 1.955 18269 6784 1 15 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.557 1.104 18269 6785 1 15 . 1 1 29 29 GLY H H 29 7.909 7.909 7.523 0.386 18269 6786 1 15 . 1 1 30 30 VAL N N 30 118.740 118.740 117.360 1.380 18269 6787 1 15 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.335 -0.576 18269 6788 1 15 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.980 1.490 18269 6789 1 15 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.436 -0.110 18269 6790 1 15 . 1 1 30 30 VAL H H 30 7.701 7.701 8.048 -0.347 18269 6791 1 15 . 1 1 31 31 ASN N N 31 123.250 123.250 118.243 5.007 18269 6792 1 15 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.735 -0.022 18269 6793 1 15 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.638 0.850 18269 6794 1 15 . 1 1 31 31 ASN CB C 31 39.211 39.211 38.742 0.469 18269 6795 1 15 . 1 1 31 31 ASN H H 31 8.498 8.498 7.981 0.517 18269 6796 1 15 . 1 1 32 32 PHE N N 32 126.076 126.076 122.465 3.611 18269 6797 1 15 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.628 -0.490 18269 6798 1 15 . 1 1 32 32 PHE CA C 32 58.647 58.647 58.446 0.201 18269 6799 1 15 . 1 1 32 32 PHE CB C 32 36.779 36.779 40.172 -3.393 18269 6800 1 15 . 1 1 32 32 PHE H H 32 8.783 8.783 8.442 0.341 18269 6801 1 15 . 1 1 33 33 SER N N 33 115.958 115.958 118.394 -2.436 18269 6802 1 15 . 1 1 33 33 SER HA H 33 4.736 4.736 4.608 0.128 18269 6803 1 15 . 1 1 33 33 SER CA C 33 56.745 56.745 57.561 -0.816 18269 6804 1 15 . 1 1 33 33 SER CB C 33 64.899 64.899 63.416 1.483 18269 6805 1 15 . 1 1 33 33 SER H H 33 7.699 7.699 8.216 -0.517 18269 6806 1 15 . 1 1 34 34 LEU N N 34 124.359 124.359 128.101 -3.742 18269 6807 1 15 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.109 -0.256 18269 6808 1 15 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.210 1.461 18269 6809 1 15 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.545 0.001 18269 6810 1 15 . 1 1 34 34 LEU H H 34 8.935 8.935 9.001 -0.066 18269 6811 1 15 . 1 1 35 35 ASP N N 35 115.345 115.345 116.286 -0.941 18269 6812 1 15 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.526 -0.148 18269 6813 1 15 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.375 -0.517 18269 6814 1 15 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.489 -0.328 18269 6815 1 15 . 1 1 35 35 ASP H H 35 8.575 8.575 8.571 0.004 18269 6816 1 15 . 1 1 36 36 THR N N 36 116.789 116.789 117.386 -0.597 18269 6817 1 15 . 1 1 36 36 THR HA H 36 4.015 4.015 4.239 -0.224 18269 6818 1 15 . 1 1 36 36 THR CA C 36 66.069 66.069 66.312 -0.243 18269 6819 1 15 . 1 1 36 36 THR CB C 36 68.780 68.780 68.755 0.025 18269 6820 1 15 . 1 1 36 36 THR H H 36 7.593 7.593 7.275 0.318 18269 6821 1 15 . 1 1 37 37 ILE N N 37 120.685 120.685 121.465 -0.780 18269 6822 1 15 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.835 -0.466 18269 6823 1 15 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.779 0.021 18269 6824 1 15 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.465 -0.374 18269 6825 1 15 . 1 1 37 37 ILE H H 37 8.436 8.436 8.452 -0.016 18269 6826 1 15 . 1 1 38 38 GLU N N 38 118.792 118.792 121.195 -2.403 18269 6827 1 15 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.920 -0.242 18269 6828 1 15 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.919 1.141 18269 6829 1 15 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.489 0.382 18269 6830 1 15 . 1 1 38 38 GLU H H 38 8.122 8.122 7.818 0.304 18269 6831 1 15 . 1 1 39 39 LYS N N 39 116.986 116.986 119.749 -2.763 18269 6832 1 15 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.080 -0.119 18269 6833 1 15 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.878 0.868 18269 6834 1 15 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.123 0.187 18269 6835 1 15 . 1 1 39 39 LYS H H 39 7.586 7.586 7.684 -0.098 18269 6836 1 15 . 1 1 40 40 GLU N N 40 117.892 117.892 119.645 -1.753 18269 6837 1 15 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.272 -0.067 18269 6838 1 15 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.086 -0.727 18269 6839 1 15 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.578 -0.999 18269 6840 1 15 . 1 1 40 40 GLU H H 40 8.690 8.690 8.513 0.177 18269 6841 1 15 . 1 1 41 41 LEU N N 41 125.830 125.830 121.006 4.824 18269 6842 1 15 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.786 -0.239 18269 6843 1 15 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.255 -0.427 18269 6844 1 15 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.683 -1.345 18269 6845 1 15 . 1 1 41 41 LEU H H 41 8.978 8.978 8.392 0.586 18269 6846 1 15 . 1 1 42 42 ILE N N 42 119.900 119.900 120.253 -0.353 18269 6847 1 15 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.940 -0.356 18269 6848 1 15 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.190 0.642 18269 6849 1 15 . 1 1 42 42 ILE CB C 42 37.790 37.790 38.059 -0.269 18269 6850 1 15 . 1 1 42 42 ILE H H 42 7.884 7.884 7.735 0.149 18269 6851 1 15 . 1 1 43 43 SER N N 43 114.071 114.071 115.925 -1.854 18269 6852 1 15 . 1 1 43 43 SER HA H 43 4.277 4.277 4.210 0.067 18269 6853 1 15 . 1 1 43 43 SER CA C 43 61.598 61.598 61.551 0.047 18269 6854 1 15 . 1 1 43 43 SER CB C 43 62.767 62.767 63.387 -0.620 18269 6855 1 15 . 1 1 43 43 SER H H 43 7.791 7.791 8.281 -0.490 18269 6856 1 15 . 1 1 44 44 PHE N N 44 125.036 125.036 123.236 1.800 18269 6857 1 15 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.262 0.067 18269 6858 1 15 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.843 -0.586 18269 6859 1 15 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.369 1.262 18269 6860 1 15 . 1 1 44 44 PHE H H 44 9.060 9.060 8.698 0.362 18269 6861 1 15 . 1 1 45 45 CYS N N 45 112.824 112.824 117.977 -5.153 18269 6862 1 15 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.596 0.010 18269 6863 1 15 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.977 -3.741 18269 6864 1 15 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.751 16.872 18269 6865 1 15 . 1 1 45 45 CYS H H 45 8.254 8.254 8.470 -0.216 18269 6866 1 15 . 1 1 46 46 LEU N N 46 123.875 123.875 119.790 4.085 18269 6867 1 15 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.290 -0.115 18269 6868 1 15 . 1 1 46 46 LEU CA C 46 58.151 58.151 57.116 1.035 18269 6869 1 15 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.231 0.021 18269 6870 1 15 . 1 1 46 46 LEU H H 46 7.776 7.776 7.620 0.156 18269 6871 1 15 . 1 1 47 47 ASP N N 47 116.880 116.880 117.044 -0.164 18269 6872 1 15 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.592 0.318 18269 6873 1 15 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.620 -2.035 18269 6874 1 15 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.693 -1.318 18269 6875 1 15 . 1 1 47 47 ASP H H 47 7.852 7.852 7.807 0.045 18269 6876 1 15 . 1 1 48 48 THR N N 48 108.053 108.053 114.928 -6.875 18269 6877 1 15 . 1 1 48 48 THR HA H 48 4.461 4.461 4.142 0.319 18269 6878 1 15 . 1 1 48 48 THR CA C 48 60.844 60.844 62.155 -1.311 18269 6879 1 15 . 1 1 48 48 THR CB C 48 73.395 73.395 69.706 3.689 18269 6880 1 15 . 1 1 48 48 THR H H 48 7.139 7.139 7.516 -0.377 18269 6881 1 15 . 1 1 49 49 LYS N N 49 118.308 118.308 119.417 -1.109 18269 6882 1 15 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.528 0.190 18269 6883 1 15 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.793 -0.749 18269 6884 1 15 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.440 3.130 18269 6885 1 15 . 1 1 49 49 LYS H H 49 8.755 8.755 9.232 -0.477 18269 6886 1 15 . 1 1 50 50 GLY N N 50 108.996 108.996 110.283 -1.287 18269 6887 1 15 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.925 -1.082 18269 6888 1 15 . 1 1 50 50 GLY H H 50 8.866 8.866 8.710 0.156 18269 6889 1 15 . 1 1 51 51 LYS N N 51 126.155 126.155 121.113 5.042 18269 6890 1 15 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.041 -0.071 18269 6891 1 15 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.258 -1.147 18269 6892 1 15 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.868 0.751 18269 6893 1 15 . 1 1 51 51 LYS H H 51 9.254 9.254 8.766 0.488 18269 6894 1 15 . 1 1 52 52 GLU N N 52 116.496 116.496 119.168 -2.672 18269 6895 1 15 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.210 -0.687 18269 6896 1 15 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.096 0.294 18269 6897 1 15 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.948 -1.262 18269 6898 1 15 . 1 1 52 52 GLU H H 52 8.223 8.223 8.094 0.129 18269 6899 1 15 . 1 1 53 53 ASN N N 53 119.000 119.000 119.369 -0.369 18269 6900 1 15 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.724 -0.340 18269 6901 1 15 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.909 1.069 18269 6902 1 15 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.670 0.776 18269 6903 1 15 . 1 1 53 53 ASN H H 53 6.840 6.840 8.795 -1.955 18269 6904 1 15 . 1 1 54 54 ARG N N 54 118.480 118.480 118.911 -0.431 18269 6905 1 15 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.518 -0.749 18269 6906 1 15 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.415 -0.018 18269 6907 1 15 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.231 -1.491 18269 6908 1 15 . 1 1 54 54 ARG H H 54 7.456 7.456 7.967 -0.511 18269 6909 1 15 . 1 1 55 55 LEU N N 55 118.688 118.688 121.765 -3.077 18269 6910 1 15 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.437 -0.629 18269 6911 1 15 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.011 0.448 18269 6912 1 15 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.792 -1.672 18269 6913 1 15 . 1 1 55 55 LEU H H 55 7.843 7.843 7.871 -0.028 18269 6914 1 15 . 1 1 56 56 CYS N N 56 115.905 115.905 118.852 -2.947 18269 6915 1 15 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.789 0.084 18269 6916 1 15 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.661 1.376 18269 6917 1 15 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.658 17.247 18269 6918 1 15 . 1 1 56 56 CYS H H 56 7.752 7.752 7.810 -0.058 18269 6919 1 15 . 1 1 57 57 TYR N N 57 121.810 121.810 116.933 4.877 18269 6920 1 15 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.170 -0.027 18269 6921 1 15 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.738 0.577 18269 6922 1 15 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.515 -0.461 18269 6923 1 15 . 1 1 57 57 TYR H H 57 7.911 7.911 7.532 0.379 18269 6924 1 15 . 1 1 58 58 TYR N N 58 121.916 121.916 117.027 4.889 18269 6925 1 15 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.364 0.011 18269 6926 1 15 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.878 -1.869 18269 6927 1 15 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.636 -0.612 18269 6928 1 15 . 1 1 58 58 TYR H H 58 8.334 8.334 7.784 0.550 18269 6929 1 15 . 1 1 59 59 LEU N N 59 114.461 114.461 116.719 -2.258 18269 6930 1 15 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.112 0.008 18269 6931 1 15 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.676 -0.447 18269 6932 1 15 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.122 -0.077 18269 6933 1 15 . 1 1 59 59 LEU H H 59 8.079 8.079 7.610 0.469 18269 6934 1 15 . 1 1 60 60 GLY N N 60 102.559 102.559 104.851 -2.292 18269 6935 1 15 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.112 0.460 18269 6936 1 15 . 1 1 60 60 GLY H H 60 7.562 7.562 8.180 -0.618 18269 6937 1 15 . 1 1 61 61 ALA N N 61 120.327 120.327 124.306 -3.979 18269 6938 1 15 . 1 1 61 61 ALA HA H 61 4.401 4.401 3.861 0.540 18269 6939 1 15 . 1 1 61 61 ALA CA C 61 51.265 51.265 53.186 -1.921 18269 6940 1 15 . 1 1 61 61 ALA CB C 61 20.337 20.337 17.980 2.357 18269 6941 1 15 . 1 1 61 61 ALA H H 61 7.995 7.995 8.362 -0.367 18269 6942 1 15 . 1 1 62 62 THR N N 62 106.895 106.895 107.161 -0.266 18269 6943 1 15 . 1 1 62 62 THR HA H 62 4.518 4.518 4.510 0.008 18269 6944 1 15 . 1 1 62 62 THR CA C 62 59.982 59.982 60.253 -0.271 18269 6945 1 15 . 1 1 62 62 THR CB C 62 70.540 70.540 72.115 -1.575 18269 6946 1 15 . 1 1 62 62 THR H H 62 7.156 7.156 7.585 -0.429 18269 6947 1 15 . 1 1 63 63 LYS N N 63 121.251 121.251 122.817 -1.566 18269 6948 1 15 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.292 -0.195 18269 6949 1 15 . 1 1 63 63 LYS CA C 63 58.272 58.272 56.511 1.761 18269 6950 1 15 . 1 1 63 63 LYS CB C 63 32.155 32.155 31.871 0.284 18269 6951 1 15 . 1 1 63 63 LYS H H 63 8.626 8.626 8.573 0.053 18269 6952 1 15 . 1 1 64 64 ASP N N 64 116.607 116.607 119.339 -2.732 18269 6953 1 15 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.641 -0.084 18269 6954 1 15 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.825 -0.923 18269 6955 1 15 . 1 1 64 64 ASP CB C 64 40.106 40.106 42.841 -2.735 18269 6956 1 15 . 1 1 64 64 ASP H H 64 8.441 8.441 7.921 0.520 18269 6957 1 15 . 1 1 65 65 ALA N N 65 122.486 122.486 123.808 -1.322 18269 6958 1 15 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.686 -0.601 18269 6959 1 15 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.097 1.452 18269 6960 1 15 . 1 1 65 65 ALA CB C 65 19.557 19.557 18.961 0.596 18269 6961 1 15 . 1 1 65 65 ALA H H 65 7.368 7.368 7.479 -0.111 18269 6962 1 15 . 1 1 66 66 ALA N N 66 124.171 124.171 126.681 -2.510 18269 6963 1 15 . 1 1 66 66 ALA HA H 66 4.444 4.444 3.985 0.459 18269 6964 1 15 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.312 0.159 18269 6965 1 15 . 1 1 66 66 ALA CB C 66 19.265 19.265 17.738 1.527 18269 6966 1 15 . 1 1 66 66 ALA H H 66 8.300 8.300 8.860 -0.560 18269 6967 1 15 . 1 1 67 67 THR N N 67 111.638 111.638 115.155 -3.517 18269 6968 1 15 . 1 1 67 67 THR HA H 67 4.496 4.496 3.978 0.518 18269 6969 1 15 . 1 1 67 67 THR CA C 67 60.881 60.881 65.168 -4.287 18269 6970 1 15 . 1 1 67 67 THR CB C 67 70.199 70.199 69.033 1.166 18269 6971 1 15 . 1 1 67 67 THR H H 67 7.730 7.730 8.516 -0.786 18269 6972 1 15 . 1 1 68 68 LYS N N 68 121.732 121.732 122.206 -0.474 18269 6973 1 15 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.101 0.435 18269 6974 1 15 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.793 -2.231 18269 6975 1 15 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.220 0.879 18269 6976 1 15 . 1 1 68 68 LYS H H 68 8.502 8.502 8.046 0.456 18269 6977 1 15 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.826 0.513 18269 6978 1 15 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.520 -1.813 18269 6979 1 15 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.994 -0.194 18269 6980 1 15 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.953 0.178 18269 6981 1 15 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.560 0.056 18269 6982 1 15 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.466 0.272 18269 6983 1 15 . 1 1 71 71 SER HA H 71 4.817 4.817 4.264 0.553 18269 6984 1 15 . 1 1 71 71 SER CA C 71 60.667 60.667 61.359 -0.692 18269 6985 1 15 . 1 1 71 71 SER CB C 71 62.646 62.646 62.775 -0.129 18269 6986 1 15 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.138 0.126 18269 6987 1 15 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.830 -2.201 18269 6988 1 15 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.434 -1.187 18269 6989 1 15 . 1 1 73 73 VAL N N 73 114.786 114.786 119.288 -4.502 18269 6990 1 15 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.767 0.335 18269 6991 1 15 . 1 1 73 73 VAL CA C 73 63.741 63.741 66.131 -2.390 18269 6992 1 15 . 1 1 73 73 VAL CB C 73 33.265 33.265 30.555 2.710 18269 6993 1 15 . 1 1 73 73 VAL H H 73 7.812 7.812 8.554 -0.742 18269 6994 1 15 . 1 1 74 74 THR HA H 74 3.767 3.767 3.903 -0.136 18269 6995 1 15 . 1 1 74 74 THR CA C 74 65.584 65.584 66.175 -0.591 18269 6996 1 15 . 1 1 74 74 THR CB C 74 67.470 67.470 68.513 -1.043 18269 6997 1 15 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.205 0.041 18269 6998 1 15 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.192 1.191 18269 6999 1 15 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.779 0.841 18269 7000 1 15 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.359 0.126 18269 7001 1 15 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.145 0.552 18269 7002 1 15 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.490 -0.595 18269 7003 1 15 . 1 1 77 77 MET N N 77 117.583 117.583 118.194 -0.611 18269 7004 1 15 . 1 1 77 77 MET HA H 77 4.684 4.684 4.352 0.332 18269 7005 1 15 . 1 1 77 77 MET CA C 77 59.347 59.347 56.474 2.873 18269 7006 1 15 . 1 1 77 77 MET CB C 77 32.996 32.996 32.205 0.791 18269 7007 1 15 . 1 1 77 77 MET H H 77 7.685 7.685 8.304 -0.619 18269 7008 1 15 . 1 1 78 78 SER N N 78 114.578 114.578 112.770 1.808 18269 7009 1 15 . 1 1 78 78 SER HA H 78 4.226 4.226 4.199 0.027 18269 7010 1 15 . 1 1 78 78 SER CA C 78 61.922 61.922 60.029 1.893 18269 7011 1 15 . 1 1 78 78 SER CB C 78 62.406 62.406 63.458 -1.052 18269 7012 1 15 . 1 1 78 78 SER H H 78 8.285 8.285 7.625 0.660 18269 7013 1 15 . 1 1 79 79 VAL N N 79 111.248 111.248 118.442 -7.194 18269 7014 1 15 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.089 0.662 18269 7015 1 15 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.985 0.141 18269 7016 1 15 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.806 -4.460 18269 7017 1 15 . 1 1 79 79 VAL H H 79 7.004 7.004 7.147 -0.143 18269 7018 1 15 . 1 1 80 80 HIS N N 80 116.703 116.703 123.433 -6.730 18269 7019 1 15 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.579 -0.463 18269 7020 1 15 . 1 1 80 80 HIS CA C 80 56.826 56.826 56.908 -0.082 18269 7021 1 15 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.643 -3.754 18269 7022 1 15 . 1 1 80 80 HIS H H 80 8.289 8.289 8.066 0.223 18269 7023 1 15 . 1 1 81 81 MET N N 81 120.978 120.978 123.700 -2.722 18269 7024 1 15 . 1 1 81 81 MET HA H 81 4.512 4.512 4.825 -0.313 18269 7025 1 15 . 1 1 81 81 MET CA C 81 55.007 55.007 52.712 2.296 18269 7026 1 15 . 1 1 81 81 MET CB C 81 33.265 33.265 34.084 -0.819 18269 7027 1 15 . 1 1 81 81 MET H H 81 8.006 8.006 8.361 -0.355 18269 7028 1 15 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.232 0.109 18269 7029 1 15 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.591 -1.355 18269 7030 1 15 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.513 2.150 18269 7031 1 15 . 1 1 83 83 ALA N N 83 126.545 126.545 121.846 4.699 18269 7032 1 15 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.921 0.025 18269 7033 1 15 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.478 0.495 18269 7034 1 15 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.470 1.005 18269 7035 1 15 . 1 1 83 83 ALA H H 83 9.196 9.196 8.371 0.825 18269 7036 1 15 . 1 1 84 84 MET N N 84 114.734 114.734 116.351 -1.617 18269 7037 1 15 . 1 1 84 84 MET HA H 84 4.024 4.024 4.591 -0.567 18269 7038 1 15 . 1 1 84 84 MET CA C 84 58.812 58.812 57.435 1.377 18269 7039 1 15 . 1 1 84 84 MET CB C 84 32.242 32.242 31.162 1.081 18269 7040 1 15 . 1 1 84 84 MET H H 84 9.289 9.289 7.993 1.296 18269 7041 1 15 . 1 1 85 85 LYS N N 85 116.490 116.490 119.647 -3.157 18269 7042 1 15 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.156 0.018 18269 7043 1 15 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.160 -0.044 18269 7044 1 15 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.471 -0.678 18269 7045 1 15 . 1 1 85 85 LYS H H 85 6.997 6.997 8.696 -1.699 18269 7046 1 15 . 1 1 86 86 ILE N N 86 120.561 120.561 120.737 -0.176 18269 7047 1 15 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.739 -0.124 18269 7048 1 15 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.837 1.441 18269 7049 1 15 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.997 -0.477 18269 7050 1 15 . 1 1 86 86 ILE H H 86 7.875 7.875 7.422 0.453 18269 7051 1 15 . 1 1 87 87 CYS N N 87 117.323 117.323 118.448 -1.125 18269 7052 1 15 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.101 -0.025 18269 7053 1 15 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.200 -1.140 18269 7054 1 15 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.784 16.949 18269 7055 1 15 . 1 1 87 87 CYS H H 87 8.643 8.643 8.060 0.583 18269 7056 1 15 . 1 1 88 88 GLU N N 88 118.070 118.070 120.960 -2.890 18269 7057 1 15 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.035 -0.087 18269 7058 1 15 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.123 0.640 18269 7059 1 15 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.389 0.376 18269 7060 1 15 . 1 1 88 88 GLU H H 88 8.045 8.045 7.818 0.227 18269 7061 1 15 . 1 1 89 89 LYS N N 89 119.719 119.719 119.591 0.128 18269 7062 1 15 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.083 0.055 18269 7063 1 15 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.969 0.161 18269 7064 1 15 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.347 -0.644 18269 7065 1 15 . 1 1 89 89 LYS H H 89 7.530 7.530 8.080 -0.550 18269 7066 1 15 . 1 1 90 90 LEU N N 90 119.550 119.550 119.880 -0.330 18269 7067 1 15 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.066 -0.101 18269 7068 1 15 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.873 0.470 18269 7069 1 15 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.498 -0.507 18269 7070 1 15 . 1 1 90 90 LEU H H 90 8.422 8.422 7.903 0.519 18269 7071 1 15 . 1 1 91 91 LYS N N 91 119.180 119.180 119.803 -0.623 18269 7072 1 15 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.280 -0.418 18269 7073 1 15 . 1 1 91 91 LYS CA C 91 58.605 58.605 59.062 -0.457 18269 7074 1 15 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.003 0.474 18269 7075 1 15 . 1 1 91 91 LYS H H 91 8.218 8.218 7.621 0.597 18269 7076 1 15 . 1 1 92 92 LYS N N 92 113.632 113.632 118.090 -4.458 18269 7077 1 15 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.189 -0.137 18269 7078 1 15 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.779 -0.221 18269 7079 1 15 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.044 -0.110 18269 7080 1 15 . 1 1 92 92 LYS H H 92 6.984 6.984 7.687 -0.703 18269 7081 1 15 . 1 1 93 93 LEU N N 93 119.104 119.104 118.280 0.824 18269 7082 1 15 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.384 -0.094 18269 7083 1 15 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.049 0.055 18269 7084 1 15 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.581 -1.478 18269 7085 1 15 . 1 1 93 93 LEU H H 93 7.456 7.456 7.576 -0.120 18269 7086 1 15 . 1 1 94 94 ASP N N 94 116.790 116.790 119.008 -2.218 18269 7087 1 15 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.776 -0.220 18269 7088 1 15 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.645 0.721 18269 7089 1 15 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.653 -1.480 18269 7090 1 15 . 1 1 94 94 ASP H H 94 7.911 7.911 8.368 -0.457 18269 7091 1 15 . 1 1 95 95 SER N N 95 122.399 122.399 121.599 0.800 18269 7092 1 15 . 1 1 95 95 SER HA H 95 4.186 4.186 4.398 -0.212 18269 7093 1 15 . 1 1 95 95 SER CA C 95 61.472 61.472 60.097 1.375 18269 7094 1 15 . 1 1 95 95 SER CB C 95 62.568 62.568 63.409 -0.841 18269 7095 1 15 . 1 1 95 95 SER H H 95 8.894 8.894 8.791 0.103 18269 7096 1 15 . 1 1 96 96 GLN N N 96 120.800 120.800 123.123 -2.323 18269 7097 1 15 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.128 -0.266 18269 7098 1 15 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.043 0.108 18269 7099 1 15 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.374 0.043 18269 7100 1 15 . 1 1 96 96 GLN H H 96 8.610 8.610 7.974 0.636 18269 7101 1 15 . 1 1 97 97 ILE N N 97 117.387 117.387 120.190 -2.803 18269 7102 1 15 . 1 1 97 97 ILE HA H 97 3.399 3.399 2.848 0.551 18269 7103 1 15 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.627 1.204 18269 7104 1 15 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.617 0.657 18269 7105 1 15 . 1 1 97 97 ILE H H 97 7.470 7.470 7.959 -0.489 18269 7106 1 15 . 1 1 98 98 CYS N N 98 113.485 113.485 113.962 -0.477 18269 7107 1 15 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.423 0.648 18269 7108 1 15 . 1 1 98 98 CYS CA C 98 61.973 61.973 58.925 3.048 18269 7109 1 15 . 1 1 98 98 CYS CB C 98 48.586 48.586 26.366 22.220 18269 7110 1 15 . 1 1 98 98 CYS H H 98 7.410 7.410 7.694 -0.284 18269 7111 1 15 . 1 1 99 99 GLU N N 99 119.123 119.123 119.545 -0.422 18269 7112 1 15 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.339 -0.016 18269 7113 1 15 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.846 0.880 18269 7114 1 15 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.896 1.083 18269 7115 1 15 . 1 1 99 99 GLU H H 99 7.308 7.308 7.598 -0.290 18269 7116 1 15 . 1 1 100 100 LEU N N 100 115.771 115.771 121.256 -5.485 18269 7117 1 15 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.095 0.202 18269 7118 1 15 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.344 -0.662 18269 7119 1 15 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.702 0.259 18269 7120 1 15 . 1 1 100 100 LEU H H 100 6.496 6.496 7.368 -0.872 18269 7121 1 15 . 1 1 101 101 LYS N N 101 125.672 125.672 112.008 13.664 18269 7122 1 15 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.109 0.485 18269 7123 1 15 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.919 -1.569 18269 7124 1 15 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.186 4.537 18269 7125 1 15 . 1 1 101 101 LYS H H 101 8.575 8.575 7.741 0.834 18269 7126 1 15 . 1 1 102 102 TYR N N 102 120.395 120.395 122.173 -1.778 18269 7127 1 15 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.388 -0.006 18269 7128 1 15 . 1 1 102 102 TYR CA C 102 60.024 60.024 60.612 -0.588 18269 7129 1 15 . 1 1 102 102 TYR CB C 102 38.328 38.328 39.036 -0.708 18269 7130 1 15 . 1 1 102 102 TYR H H 102 8.756 8.756 8.981 -0.225 18269 7131 1 15 . 1 1 103 103 GLU N N 103 121.550 121.550 115.241 6.309 18269 7132 1 15 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.539 -0.147 18269 7133 1 15 . 1 1 103 103 GLU CA C 103 56.327 56.327 56.038 0.289 18269 7134 1 15 . 1 1 103 103 GLU CB C 103 30.302 30.302 30.122 0.180 18269 7135 1 15 . 1 1 103 103 GLU H H 103 8.835 8.835 8.575 0.260 18269 7136 1 15 . 1 1 104 104 LYS N N 104 122.957 122.957 119.841 3.116 18269 7137 1 15 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.275 0.186 18269 7138 1 15 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.843 -1.569 18269 7139 1 15 . 1 1 104 104 LYS CB C 104 33.047 33.047 33.075 -0.028 18269 7140 1 15 . 1 1 104 104 LYS H H 104 8.490 8.490 8.182 0.308 18269 7141 1 16 . 1 1 2 2 GLU N N 2 121.590 121.590 124.138 -2.548 18269 7142 1 16 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.426 -0.132 18269 7143 1 16 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.230 -0.713 18269 7144 1 16 . 1 1 2 2 GLU CB C 2 30.151 30.151 31.539 -1.388 18269 7145 1 16 . 1 1 2 2 GLU H H 2 8.621 8.621 8.659 -0.038 18269 7146 1 16 . 1 1 3 3 ALA N N 3 125.815 125.815 125.000 0.815 18269 7147 1 16 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.748 -0.382 18269 7148 1 16 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.069 0.588 18269 7149 1 16 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.047 -1.100 18269 7150 1 16 . 1 1 3 3 ALA H H 3 8.598 8.598 8.542 0.056 18269 7151 1 16 . 1 1 4 4 GLY N N 4 108.386 108.386 111.310 -2.924 18269 7152 1 16 . 1 1 4 4 GLY CA C 4 45.137 45.137 46.144 -1.007 18269 7153 1 16 . 1 1 4 4 GLY H H 4 8.487 8.487 8.758 -0.271 18269 7154 1 16 . 1 1 5 5 GLY N N 5 108.367 108.367 107.826 0.541 18269 7155 1 16 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.346 0.409 18269 7156 1 16 . 1 1 5 5 GLY H H 5 8.274 8.274 7.733 0.541 18269 7157 1 16 . 1 1 6 6 ARG N N 6 121.577 121.577 119.343 2.234 18269 7158 1 16 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.742 -0.067 18269 7159 1 16 . 1 1 6 6 ARG CA C 6 53.881 53.881 53.647 0.234 18269 7160 1 16 . 1 1 6 6 ARG CB C 6 30.135 30.135 30.255 -0.119 18269 7161 1 16 . 1 1 6 6 ARG H H 6 8.297 8.297 8.401 -0.104 18269 7162 1 16 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.734 -0.242 18269 7163 1 16 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.005 1.348 18269 7164 1 16 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.719 1.328 18269 7165 1 16 . 1 1 8 8 GLY N N 8 109.658 109.658 107.906 1.752 18269 7166 1 16 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.432 -1.344 18269 7167 1 16 . 1 1 8 8 GLY H H 8 8.660 8.660 7.954 0.706 18269 7168 1 16 . 1 1 9 9 ALA N N 9 123.995 123.995 119.452 4.543 18269 7169 1 16 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.443 -0.003 18269 7170 1 16 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.778 -0.980 18269 7171 1 16 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.101 0.178 18269 7172 1 16 . 1 1 9 9 ALA H H 9 8.200 8.200 7.945 0.255 18269 7173 1 16 . 1 1 10 10 ASP N N 10 119.834 119.834 117.769 2.065 18269 7174 1 16 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.659 -0.002 18269 7175 1 16 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.171 -0.631 18269 7176 1 16 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.240 -0.734 18269 7177 1 16 . 1 1 10 10 ASP H H 10 8.290 8.290 8.409 -0.119 18269 7178 1 16 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.858 -0.228 18269 7179 1 16 . 1 1 11 11 CYS CA C 11 54.758 54.758 56.378 -1.620 18269 7180 1 16 . 1 1 11 11 CYS CB C 11 40.460 40.460 25.142 15.318 18269 7181 1 16 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.836 0.128 18269 7182 1 16 . 1 1 12 12 GLU CA C 12 61.377 61.377 59.068 2.309 18269 7183 1 16 . 1 1 12 12 GLU CB C 12 31.255 31.255 28.549 2.707 18269 7184 1 16 . 1 1 13 13 VAL N N 13 117.224 117.224 119.906 -2.682 18269 7185 1 16 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.777 -0.031 18269 7186 1 16 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.346 -1.300 18269 7187 1 16 . 1 1 13 13 VAL CB C 13 31.218 31.218 30.911 0.307 18269 7188 1 16 . 1 1 13 13 VAL H H 13 7.040 7.040 8.293 -1.253 18269 7189 1 16 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.136 -0.051 18269 7190 1 16 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.778 -0.333 18269 7191 1 16 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.445 15.774 18269 7192 1 16 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.041 0.018 18269 7193 1 16 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.525 -1.954 18269 7194 1 16 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.983 0.268 18269 7195 1 16 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.211 0.120 18269 7196 1 16 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.275 -0.101 18269 7197 1 16 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.292 0.114 18269 7198 1 16 . 1 1 16 16 GLU H H 16 8.098 8.098 7.837 0.261 18269 7199 1 16 . 1 1 17 17 PHE N N 17 120.745 120.745 122.411 -1.666 18269 7200 1 16 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.380 -0.065 18269 7201 1 16 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.088 0.426 18269 7202 1 16 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.261 1.252 18269 7203 1 16 . 1 1 17 17 PHE H H 17 9.126 9.126 8.021 1.105 18269 7204 1 16 . 1 1 18 18 LEU N N 18 115.787 115.787 118.901 -3.114 18269 7205 1 16 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.847 0.296 18269 7206 1 16 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.200 -0.323 18269 7207 1 16 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.497 -0.545 18269 7208 1 16 . 1 1 18 18 LEU H H 18 8.505 8.505 8.180 0.325 18269 7209 1 16 . 1 1 19 19 ASN N N 19 117.635 117.635 117.645 -0.010 18269 7210 1 16 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.335 0.541 18269 7211 1 16 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.708 -0.234 18269 7212 1 16 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.887 -0.559 18269 7213 1 16 . 1 1 19 19 ASN H H 19 8.405 8.405 8.418 -0.013 18269 7214 1 16 . 1 1 20 20 ARG N N 20 122.851 122.851 118.980 3.871 18269 7215 1 16 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.038 0.079 18269 7216 1 16 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.350 0.939 18269 7217 1 16 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.175 0.280 18269 7218 1 16 . 1 1 20 20 ARG H H 20 8.325 8.325 7.750 0.575 18269 7219 1 16 . 1 1 21 21 PHE N N 21 121.774 121.774 121.717 0.057 18269 7220 1 16 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.101 0.179 18269 7221 1 16 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.544 -1.533 18269 7222 1 16 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.410 -0.399 18269 7223 1 16 . 1 1 21 21 PHE H H 21 8.438 8.438 8.216 0.222 18269 7224 1 16 . 1 1 22 22 TYR N N 22 119.937 119.937 119.529 0.408 18269 7225 1 16 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.806 -0.017 18269 7226 1 16 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.803 -0.151 18269 7227 1 16 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.459 -0.185 18269 7228 1 16 . 1 1 22 22 TYR H H 22 8.708 8.708 8.659 0.049 18269 7229 1 16 . 1 1 23 23 LYS N N 23 116.431 116.431 117.546 -1.115 18269 7230 1 16 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.980 -0.121 18269 7231 1 16 . 1 1 23 23 LYS CA C 23 59.143 59.143 57.595 1.548 18269 7232 1 16 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.861 0.356 18269 7233 1 16 . 1 1 23 23 LYS H H 23 7.928 7.928 7.810 0.118 18269 7234 1 16 . 1 1 24 24 SER N N 24 113.888 113.888 116.244 -2.356 18269 7235 1 16 . 1 1 24 24 SER HA H 24 4.325 4.325 4.086 0.239 18269 7236 1 16 . 1 1 24 24 SER CA C 24 61.016 61.016 61.608 -0.592 18269 7237 1 16 . 1 1 24 24 SER CB C 24 62.837 62.837 62.671 0.166 18269 7238 1 16 . 1 1 24 24 SER H H 24 7.665 7.665 8.270 -0.605 18269 7239 1 16 . 1 1 25 25 LEU N N 25 119.663 119.663 121.665 -2.002 18269 7240 1 16 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.998 -0.319 18269 7241 1 16 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.401 0.103 18269 7242 1 16 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.614 0.288 18269 7243 1 16 . 1 1 25 25 LEU H H 25 7.573 7.573 7.966 -0.393 18269 7244 1 16 . 1 1 26 26 ILE N N 26 119.781 119.781 119.030 0.751 18269 7245 1 16 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.767 0.089 18269 7246 1 16 . 1 1 26 26 ILE CA C 26 63.549 63.549 62.070 1.479 18269 7247 1 16 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.721 0.584 18269 7248 1 16 . 1 1 26 26 ILE H H 26 8.094 8.094 7.328 0.766 18269 7249 1 16 . 1 1 27 27 ASP N N 27 122.421 122.421 121.303 1.118 18269 7250 1 16 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.354 0.022 18269 7251 1 16 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.784 0.236 18269 7252 1 16 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.058 -0.978 18269 7253 1 16 . 1 1 27 27 ASP H H 27 9.091 9.091 8.121 0.970 18269 7254 1 16 . 1 1 28 28 ARG N N 28 115.349 115.349 117.272 -1.923 18269 7255 1 16 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.256 0.049 18269 7256 1 16 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.784 -0.286 18269 7257 1 16 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.813 0.800 18269 7258 1 16 . 1 1 28 28 ARG H H 28 7.587 7.587 8.158 -0.571 18269 7259 1 16 . 1 1 29 29 GLY N N 29 109.999 109.999 107.179 2.820 18269 7260 1 16 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.326 1.335 18269 7261 1 16 . 1 1 29 29 GLY H H 29 7.909 7.909 7.653 0.256 18269 7262 1 16 . 1 1 30 30 VAL N N 30 118.740 118.740 115.747 2.993 18269 7263 1 16 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.357 -0.598 18269 7264 1 16 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.013 2.458 18269 7265 1 16 . 1 1 30 30 VAL CB C 30 32.326 32.326 33.249 -0.923 18269 7266 1 16 . 1 1 30 30 VAL H H 30 7.701 7.701 7.452 0.249 18269 7267 1 16 . 1 1 31 31 ASN N N 31 123.250 123.250 116.738 6.512 18269 7268 1 16 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.275 0.438 18269 7269 1 16 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.615 -0.127 18269 7270 1 16 . 1 1 31 31 ASN CB C 31 39.211 39.211 38.566 0.645 18269 7271 1 16 . 1 1 31 31 ASN H H 31 8.498 8.498 8.180 0.318 18269 7272 1 16 . 1 1 32 32 PHE N N 32 126.076 126.076 116.855 9.221 18269 7273 1 16 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.149 -0.011 18269 7274 1 16 . 1 1 32 32 PHE CA C 32 58.647 58.647 61.130 -2.483 18269 7275 1 16 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.286 -1.507 18269 7276 1 16 . 1 1 32 32 PHE H H 32 8.783 8.783 8.809 -0.026 18269 7277 1 16 . 1 1 33 33 SER N N 33 115.958 115.958 118.802 -2.844 18269 7278 1 16 . 1 1 33 33 SER HA H 33 4.736 4.736 4.382 0.354 18269 7279 1 16 . 1 1 33 33 SER CA C 33 56.745 56.745 59.094 -2.349 18269 7280 1 16 . 1 1 33 33 SER CB C 33 64.899 64.899 63.431 1.468 18269 7281 1 16 . 1 1 33 33 SER H H 33 7.699 7.699 8.106 -0.407 18269 7282 1 16 . 1 1 34 34 LEU N N 34 124.359 124.359 128.932 -4.573 18269 7283 1 16 . 1 1 34 34 LEU HA H 34 3.853 3.853 3.874 -0.021 18269 7284 1 16 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.340 1.331 18269 7285 1 16 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.434 0.112 18269 7286 1 16 . 1 1 34 34 LEU H H 34 8.935 8.935 8.810 0.125 18269 7287 1 16 . 1 1 35 35 ASP N N 35 115.345 115.345 117.592 -2.247 18269 7288 1 16 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.344 0.034 18269 7289 1 16 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.811 -0.953 18269 7290 1 16 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.581 -0.421 18269 7291 1 16 . 1 1 35 35 ASP H H 35 8.575 8.575 8.601 -0.026 18269 7292 1 16 . 1 1 36 36 THR N N 36 116.789 116.789 117.109 -0.320 18269 7293 1 16 . 1 1 36 36 THR HA H 36 4.015 4.015 4.175 -0.160 18269 7294 1 16 . 1 1 36 36 THR CA C 36 66.069 66.069 66.384 -0.315 18269 7295 1 16 . 1 1 36 36 THR CB C 36 68.780 68.780 68.757 0.023 18269 7296 1 16 . 1 1 36 36 THR H H 36 7.593 7.593 7.255 0.338 18269 7297 1 16 . 1 1 37 37 ILE N N 37 120.685 120.685 121.313 -0.628 18269 7298 1 16 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.708 -0.339 18269 7299 1 16 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.611 0.189 18269 7300 1 16 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.402 -0.311 18269 7301 1 16 . 1 1 37 37 ILE H H 37 8.436 8.436 8.746 -0.310 18269 7302 1 16 . 1 1 38 38 GLU N N 38 118.792 118.792 120.772 -1.980 18269 7303 1 16 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.914 -0.236 18269 7304 1 16 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.825 1.235 18269 7305 1 16 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.603 0.268 18269 7306 1 16 . 1 1 38 38 GLU H H 38 8.122 8.122 8.131 -0.009 18269 7307 1 16 . 1 1 39 39 LYS N N 39 116.986 116.986 119.890 -2.904 18269 7308 1 16 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.024 -0.063 18269 7309 1 16 . 1 1 39 39 LYS CA C 39 59.746 59.746 59.048 0.697 18269 7310 1 16 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.279 0.031 18269 7311 1 16 . 1 1 39 39 LYS H H 39 7.586 7.586 7.728 -0.142 18269 7312 1 16 . 1 1 40 40 GLU N N 40 117.892 117.892 119.193 -1.301 18269 7313 1 16 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.252 -0.047 18269 7314 1 16 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.954 -0.595 18269 7315 1 16 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.721 -1.142 18269 7316 1 16 . 1 1 40 40 GLU H H 40 8.690 8.690 8.310 0.380 18269 7317 1 16 . 1 1 41 41 LEU N N 41 125.830 125.830 122.156 3.674 18269 7318 1 16 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.831 -0.284 18269 7319 1 16 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.033 -0.205 18269 7320 1 16 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.715 -1.377 18269 7321 1 16 . 1 1 41 41 LEU H H 41 8.978 8.978 7.937 1.041 18269 7322 1 16 . 1 1 42 42 ILE N N 42 119.900 119.900 120.146 -0.246 18269 7323 1 16 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.847 -0.263 18269 7324 1 16 . 1 1 42 42 ILE CA C 42 65.832 65.832 64.249 1.583 18269 7325 1 16 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.670 0.120 18269 7326 1 16 . 1 1 42 42 ILE H H 42 7.884 7.884 8.078 -0.194 18269 7327 1 16 . 1 1 43 43 SER N N 43 114.071 114.071 116.580 -2.509 18269 7328 1 16 . 1 1 43 43 SER HA H 43 4.277 4.277 4.166 0.111 18269 7329 1 16 . 1 1 43 43 SER CA C 43 61.598 61.598 61.736 -0.138 18269 7330 1 16 . 1 1 43 43 SER CB C 43 62.767 62.767 62.769 -0.002 18269 7331 1 16 . 1 1 43 43 SER H H 43 7.791 7.791 8.634 -0.843 18269 7332 1 16 . 1 1 44 44 PHE N N 44 125.036 125.036 122.370 2.666 18269 7333 1 16 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.271 0.058 18269 7334 1 16 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.676 -0.419 18269 7335 1 16 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.415 1.216 18269 7336 1 16 . 1 1 44 44 PHE H H 44 9.060 9.060 8.372 0.688 18269 7337 1 16 . 1 1 45 45 CYS N N 45 112.824 112.824 119.465 -6.641 18269 7338 1 16 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.548 0.058 18269 7339 1 16 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.549 -2.313 18269 7340 1 16 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.355 16.267 18269 7341 1 16 . 1 1 45 45 CYS H H 45 8.254 8.254 8.161 0.093 18269 7342 1 16 . 1 1 46 46 LEU N N 46 123.875 123.875 118.784 5.091 18269 7343 1 16 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.231 -0.056 18269 7344 1 16 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.686 1.465 18269 7345 1 16 . 1 1 46 46 LEU CB C 46 42.252 42.252 40.607 1.645 18269 7346 1 16 . 1 1 46 46 LEU H H 46 7.776 7.776 8.624 -0.848 18269 7347 1 16 . 1 1 47 47 ASP N N 47 116.880 116.880 117.227 -0.347 18269 7348 1 16 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.554 0.356 18269 7349 1 16 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.589 -2.003 18269 7350 1 16 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.721 -1.346 18269 7351 1 16 . 1 1 47 47 ASP H H 47 7.852 7.852 7.637 0.215 18269 7352 1 16 . 1 1 48 48 THR N N 48 108.053 108.053 114.772 -6.719 18269 7353 1 16 . 1 1 48 48 THR HA H 48 4.461 4.461 4.288 0.173 18269 7354 1 16 . 1 1 48 48 THR CA C 48 60.844 60.844 61.949 -1.105 18269 7355 1 16 . 1 1 48 48 THR CB C 48 73.395 73.395 69.614 3.781 18269 7356 1 16 . 1 1 48 48 THR H H 48 7.139 7.139 7.347 -0.208 18269 7357 1 16 . 1 1 49 49 LYS N N 49 118.308 118.308 119.392 -1.084 18269 7358 1 16 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.529 0.189 18269 7359 1 16 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.584 -1.540 18269 7360 1 16 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.648 2.922 18269 7361 1 16 . 1 1 49 49 LYS H H 49 8.755 8.755 9.213 -0.458 18269 7362 1 16 . 1 1 50 50 GLY N N 50 108.996 108.996 110.168 -1.172 18269 7363 1 16 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.618 -0.775 18269 7364 1 16 . 1 1 50 50 GLY H H 50 8.866 8.866 8.647 0.219 18269 7365 1 16 . 1 1 51 51 LYS N N 51 126.155 126.155 122.140 4.015 18269 7366 1 16 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.032 -0.062 18269 7367 1 16 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.044 -0.934 18269 7368 1 16 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.070 0.549 18269 7369 1 16 . 1 1 51 51 LYS H H 51 9.254 9.254 8.727 0.527 18269 7370 1 16 . 1 1 52 52 GLU N N 52 116.496 116.496 118.143 -1.647 18269 7371 1 16 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.058 -0.535 18269 7372 1 16 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.199 0.191 18269 7373 1 16 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.732 -1.046 18269 7374 1 16 . 1 1 52 52 GLU H H 52 8.223 8.223 7.903 0.320 18269 7375 1 16 . 1 1 53 53 ASN N N 53 119.000 119.000 119.441 -0.441 18269 7376 1 16 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.553 -0.169 18269 7377 1 16 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.687 1.291 18269 7378 1 16 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.553 0.893 18269 7379 1 16 . 1 1 53 53 ASN H H 53 6.840 6.840 8.628 -1.788 18269 7380 1 16 . 1 1 54 54 ARG N N 54 118.480 118.480 120.918 -2.438 18269 7381 1 16 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.358 -0.589 18269 7382 1 16 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.264 -0.867 18269 7383 1 16 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.795 -1.055 18269 7384 1 16 . 1 1 54 54 ARG H H 54 7.456 7.456 8.509 -1.053 18269 7385 1 16 . 1 1 55 55 LEU N N 55 118.688 118.688 120.871 -2.183 18269 7386 1 16 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.126 -0.318 18269 7387 1 16 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.042 0.417 18269 7388 1 16 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.826 -1.706 18269 7389 1 16 . 1 1 55 55 LEU H H 55 7.843 7.843 7.858 -0.015 18269 7390 1 16 . 1 1 56 56 CYS N N 56 115.905 115.905 116.978 -1.073 18269 7391 1 16 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.997 -0.124 18269 7392 1 16 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.717 1.320 18269 7393 1 16 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.261 16.644 18269 7394 1 16 . 1 1 56 56 CYS H H 56 7.752 7.752 7.535 0.217 18269 7395 1 16 . 1 1 57 57 TYR N N 57 121.810 121.810 119.530 2.280 18269 7396 1 16 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.028 0.115 18269 7397 1 16 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.282 0.033 18269 7398 1 16 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.304 -0.250 18269 7399 1 16 . 1 1 57 57 TYR H H 57 7.911 7.911 7.607 0.304 18269 7400 1 16 . 1 1 58 58 TYR N N 58 121.916 121.916 116.113 5.803 18269 7401 1 16 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.380 -0.005 18269 7402 1 16 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.337 -1.328 18269 7403 1 16 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.410 -0.386 18269 7404 1 16 . 1 1 58 58 TYR H H 58 8.334 8.334 7.361 0.973 18269 7405 1 16 . 1 1 59 59 LEU N N 59 114.461 114.461 116.743 -2.282 18269 7406 1 16 . 1 1 59 59 LEU HA H 59 4.120 4.120 3.945 0.175 18269 7407 1 16 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.713 -1.484 18269 7408 1 16 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.264 -0.219 18269 7409 1 16 . 1 1 59 59 LEU H H 59 8.079 8.079 8.360 -0.281 18269 7410 1 16 . 1 1 60 60 GLY N N 60 102.559 102.559 103.462 -0.903 18269 7411 1 16 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.160 0.412 18269 7412 1 16 . 1 1 60 60 GLY H H 60 7.562 7.562 7.804 -0.242 18269 7413 1 16 . 1 1 61 61 ALA N N 61 120.327 120.327 124.913 -4.586 18269 7414 1 16 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.323 0.078 18269 7415 1 16 . 1 1 61 61 ALA CA C 61 51.265 51.265 52.155 -0.890 18269 7416 1 16 . 1 1 61 61 ALA CB C 61 20.337 20.337 17.450 2.887 18269 7417 1 16 . 1 1 61 61 ALA H H 61 7.995 7.995 7.832 0.163 18269 7418 1 16 . 1 1 62 62 THR N N 62 106.895 106.895 114.370 -7.475 18269 7419 1 16 . 1 1 62 62 THR HA H 62 4.518 4.518 4.393 0.125 18269 7420 1 16 . 1 1 62 62 THR CA C 62 59.982 59.982 61.388 -1.406 18269 7421 1 16 . 1 1 62 62 THR CB C 62 70.540 70.540 71.744 -1.204 18269 7422 1 16 . 1 1 62 62 THR H H 62 7.156 7.156 7.955 -0.799 18269 7423 1 16 . 1 1 63 63 LYS N N 63 121.251 121.251 126.645 -5.394 18269 7424 1 16 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.195 -0.098 18269 7425 1 16 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.093 1.179 18269 7426 1 16 . 1 1 63 63 LYS CB C 63 32.155 32.155 31.715 0.440 18269 7427 1 16 . 1 1 63 63 LYS H H 63 8.626 8.626 8.831 -0.205 18269 7428 1 16 . 1 1 64 64 ASP N N 64 116.607 116.607 118.299 -1.692 18269 7429 1 16 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.722 -0.165 18269 7430 1 16 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.422 -0.520 18269 7431 1 16 . 1 1 64 64 ASP CB C 64 40.106 40.106 42.639 -2.534 18269 7432 1 16 . 1 1 64 64 ASP H H 64 8.441 8.441 8.158 0.283 18269 7433 1 16 . 1 1 65 65 ALA N N 65 122.486 122.486 122.473 0.013 18269 7434 1 16 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.615 -0.530 18269 7435 1 16 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.704 1.845 18269 7436 1 16 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.717 -1.160 18269 7437 1 16 . 1 1 65 65 ALA H H 65 7.368 7.368 7.593 -0.225 18269 7438 1 16 . 1 1 66 66 ALA N N 66 124.171 124.171 122.603 1.568 18269 7439 1 16 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.373 0.071 18269 7440 1 16 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.483 -0.012 18269 7441 1 16 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.212 0.053 18269 7442 1 16 . 1 1 66 66 ALA H H 66 8.300 8.300 8.483 -0.183 18269 7443 1 16 . 1 1 67 67 THR N N 67 111.638 111.638 117.852 -6.214 18269 7444 1 16 . 1 1 67 67 THR HA H 67 4.496 4.496 4.101 0.395 18269 7445 1 16 . 1 1 67 67 THR CA C 67 60.881 60.881 64.945 -4.064 18269 7446 1 16 . 1 1 67 67 THR CB C 67 70.199 70.199 69.091 1.108 18269 7447 1 16 . 1 1 67 67 THR H H 67 7.730 7.730 8.344 -0.614 18269 7448 1 16 . 1 1 68 68 LYS N N 68 121.732 121.732 122.368 -0.636 18269 7449 1 16 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.144 0.392 18269 7450 1 16 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.868 -2.306 18269 7451 1 16 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.107 0.992 18269 7452 1 16 . 1 1 68 68 LYS H H 68 8.502 8.502 8.257 0.245 18269 7453 1 16 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.812 0.527 18269 7454 1 16 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.579 -1.873 18269 7455 1 16 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.616 0.184 18269 7456 1 16 . 1 1 70 70 LEU HA H 70 4.131 4.131 3.902 0.229 18269 7457 1 16 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.298 0.318 18269 7458 1 16 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.776 -0.038 18269 7459 1 16 . 1 1 71 71 SER HA H 71 4.817 4.817 4.323 0.494 18269 7460 1 16 . 1 1 71 71 SER CA C 71 60.667 60.667 61.297 -0.631 18269 7461 1 16 . 1 1 71 71 SER CB C 71 62.646 62.646 62.556 0.090 18269 7462 1 16 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.127 0.137 18269 7463 1 16 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.752 -2.123 18269 7464 1 16 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.243 -0.996 18269 7465 1 16 . 1 1 73 73 VAL N N 73 114.786 114.786 118.482 -3.696 18269 7466 1 16 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.949 0.153 18269 7467 1 16 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.899 -2.158 18269 7468 1 16 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.635 0.630 18269 7469 1 16 . 1 1 73 73 VAL H H 73 7.812 7.812 7.418 0.394 18269 7470 1 16 . 1 1 74 74 THR HA H 74 3.767 3.767 3.973 -0.206 18269 7471 1 16 . 1 1 74 74 THR CA C 74 65.584 65.584 66.336 -0.752 18269 7472 1 16 . 1 1 74 74 THR CB C 74 67.470 67.470 68.559 -1.089 18269 7473 1 16 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.157 0.089 18269 7474 1 16 . 1 1 75 75 ARG CA C 75 61.383 61.383 59.953 1.430 18269 7475 1 16 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.520 1.100 18269 7476 1 16 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.315 0.170 18269 7477 1 16 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.468 0.229 18269 7478 1 16 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.371 -0.476 18269 7479 1 16 . 1 1 77 77 MET N N 77 117.583 117.583 116.483 1.100 18269 7480 1 16 . 1 1 77 77 MET HA H 77 4.684 4.684 4.354 0.330 18269 7481 1 16 . 1 1 77 77 MET CA C 77 59.347 59.347 56.233 3.114 18269 7482 1 16 . 1 1 77 77 MET CB C 77 32.996 32.996 31.834 1.162 18269 7483 1 16 . 1 1 77 77 MET H H 77 7.685 7.685 8.334 -0.649 18269 7484 1 16 . 1 1 78 78 SER N N 78 114.578 114.578 115.099 -0.521 18269 7485 1 16 . 1 1 78 78 SER HA H 78 4.226 4.226 4.202 0.024 18269 7486 1 16 . 1 1 78 78 SER CA C 78 61.922 61.922 60.445 1.477 18269 7487 1 16 . 1 1 78 78 SER CB C 78 62.406 62.406 63.363 -0.957 18269 7488 1 16 . 1 1 78 78 SER H H 78 8.285 8.285 7.462 0.823 18269 7489 1 16 . 1 1 79 79 VAL N N 79 111.248 111.248 119.093 -7.845 18269 7490 1 16 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.263 0.488 18269 7491 1 16 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.375 0.751 18269 7492 1 16 . 1 1 79 79 VAL CB C 79 30.346 30.346 35.517 -5.171 18269 7493 1 16 . 1 1 79 79 VAL H H 79 7.004 7.004 7.452 -0.448 18269 7494 1 16 . 1 1 80 80 HIS N N 80 116.703 116.703 124.410 -7.707 18269 7495 1 16 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.526 -0.410 18269 7496 1 16 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.426 -0.600 18269 7497 1 16 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.929 -4.040 18269 7498 1 16 . 1 1 80 80 HIS H H 80 8.289 8.289 8.171 0.118 18269 7499 1 16 . 1 1 81 81 MET N N 81 120.978 120.978 123.275 -2.297 18269 7500 1 16 . 1 1 81 81 MET HA H 81 4.512 4.512 4.812 -0.300 18269 7501 1 16 . 1 1 81 81 MET CA C 81 55.007 55.007 52.542 2.465 18269 7502 1 16 . 1 1 81 81 MET CB C 81 33.265 33.265 34.685 -1.420 18269 7503 1 16 . 1 1 81 81 MET H H 81 8.006 8.006 8.974 -0.968 18269 7504 1 16 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.207 0.134 18269 7505 1 16 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.613 -1.377 18269 7506 1 16 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.665 1.998 18269 7507 1 16 . 1 1 83 83 ALA N N 83 126.545 126.545 121.786 4.759 18269 7508 1 16 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.913 0.033 18269 7509 1 16 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.906 1.067 18269 7510 1 16 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.211 1.264 18269 7511 1 16 . 1 1 83 83 ALA H H 83 9.196 9.196 7.932 1.264 18269 7512 1 16 . 1 1 84 84 MET N N 84 114.734 114.734 118.094 -3.360 18269 7513 1 16 . 1 1 84 84 MET HA H 84 4.024 4.024 4.394 -0.370 18269 7514 1 16 . 1 1 84 84 MET CA C 84 58.812 58.812 57.924 0.888 18269 7515 1 16 . 1 1 84 84 MET CB C 84 32.242 32.242 31.672 0.570 18269 7516 1 16 . 1 1 84 84 MET H H 84 9.289 9.289 8.061 1.228 18269 7517 1 16 . 1 1 85 85 LYS N N 85 116.490 116.490 117.520 -1.030 18269 7518 1 16 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.476 -0.302 18269 7519 1 16 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.027 0.089 18269 7520 1 16 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.678 -0.886 18269 7521 1 16 . 1 1 85 85 LYS H H 85 6.997 6.997 8.362 -1.365 18269 7522 1 16 . 1 1 86 86 ILE N N 86 120.561 120.561 120.114 0.447 18269 7523 1 16 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.696 -0.081 18269 7524 1 16 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.532 1.746 18269 7525 1 16 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.818 -0.298 18269 7526 1 16 . 1 1 86 86 ILE H H 86 7.875 7.875 7.561 0.314 18269 7527 1 16 . 1 1 87 87 CYS N N 87 117.323 117.323 119.346 -2.023 18269 7528 1 16 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.083 -0.007 18269 7529 1 16 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.253 -1.193 18269 7530 1 16 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.994 16.739 18269 7531 1 16 . 1 1 87 87 CYS H H 87 8.643 8.643 7.975 0.668 18269 7532 1 16 . 1 1 88 88 GLU N N 88 118.070 118.070 119.460 -1.390 18269 7533 1 16 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.020 -0.072 18269 7534 1 16 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.737 1.026 18269 7535 1 16 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.453 0.311 18269 7536 1 16 . 1 1 88 88 GLU H H 88 8.045 8.045 7.610 0.435 18269 7537 1 16 . 1 1 89 89 LYS N N 89 119.719 119.719 119.365 0.354 18269 7538 1 16 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.080 0.058 18269 7539 1 16 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.171 -0.041 18269 7540 1 16 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.435 -0.732 18269 7541 1 16 . 1 1 89 89 LYS H H 89 7.530 7.530 7.677 -0.147 18269 7542 1 16 . 1 1 90 90 LEU N N 90 119.550 119.550 118.760 0.790 18269 7543 1 16 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.118 -0.153 18269 7544 1 16 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.090 0.253 18269 7545 1 16 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.344 -0.353 18269 7546 1 16 . 1 1 90 90 LEU H H 90 8.422 8.422 7.866 0.556 18269 7547 1 16 . 1 1 91 91 LYS N N 91 119.180 119.180 118.212 0.968 18269 7548 1 16 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.314 -0.452 18269 7549 1 16 . 1 1 91 91 LYS CA C 91 58.605 58.605 57.758 0.847 18269 7550 1 16 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.955 0.522 18269 7551 1 16 . 1 1 91 91 LYS H H 91 8.218 8.218 7.384 0.834 18269 7552 1 16 . 1 1 92 92 LYS N N 92 113.632 113.632 118.071 -4.439 18269 7553 1 16 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.137 -0.084 18269 7554 1 16 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.177 -0.619 18269 7555 1 16 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.633 -0.699 18269 7556 1 16 . 1 1 92 92 LYS H H 92 6.984 6.984 7.441 -0.457 18269 7557 1 16 . 1 1 93 93 LEU N N 93 119.104 119.104 119.654 -0.550 18269 7558 1 16 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.289 0.001 18269 7559 1 16 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.687 -0.583 18269 7560 1 16 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.034 -0.932 18269 7561 1 16 . 1 1 93 93 LEU H H 93 7.456 7.456 7.449 0.007 18269 7562 1 16 . 1 1 94 94 ASP N N 94 116.790 116.790 115.793 0.997 18269 7563 1 16 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.810 -0.254 18269 7564 1 16 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.756 0.610 18269 7565 1 16 . 1 1 94 94 ASP CB C 94 41.173 41.173 43.598 -2.425 18269 7566 1 16 . 1 1 94 94 ASP H H 94 7.911 7.911 8.397 -0.486 18269 7567 1 16 . 1 1 95 95 SER N N 95 122.399 122.399 120.102 2.297 18269 7568 1 16 . 1 1 95 95 SER HA H 95 4.186 4.186 4.282 -0.096 18269 7569 1 16 . 1 1 95 95 SER CA C 95 61.472 61.472 60.874 0.598 18269 7570 1 16 . 1 1 95 95 SER CB C 95 62.568 62.568 63.524 -0.956 18269 7571 1 16 . 1 1 95 95 SER H H 95 8.894 8.894 8.738 0.156 18269 7572 1 16 . 1 1 96 96 GLN N N 96 120.800 120.800 121.671 -0.871 18269 7573 1 16 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.013 -0.151 18269 7574 1 16 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.612 0.539 18269 7575 1 16 . 1 1 96 96 GLN CB C 96 28.417 28.417 27.969 0.448 18269 7576 1 16 . 1 1 96 96 GLN H H 96 8.610 8.610 7.869 0.741 18269 7577 1 16 . 1 1 97 97 ILE N N 97 117.387 117.387 118.777 -1.390 18269 7578 1 16 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.467 -0.068 18269 7579 1 16 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.680 1.151 18269 7580 1 16 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.946 0.328 18269 7581 1 16 . 1 1 97 97 ILE H H 97 7.470 7.470 7.675 -0.205 18269 7582 1 16 . 1 1 98 98 CYS N N 98 113.485 113.485 114.307 -0.822 18269 7583 1 16 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.519 0.552 18269 7584 1 16 . 1 1 98 98 CYS CA C 98 61.973 61.973 58.416 3.557 18269 7585 1 16 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.543 21.043 18269 7586 1 16 . 1 1 98 98 CYS H H 98 7.410 7.410 7.711 -0.301 18269 7587 1 16 . 1 1 99 99 GLU N N 99 119.123 119.123 121.314 -2.191 18269 7588 1 16 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.299 0.024 18269 7589 1 16 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.365 0.360 18269 7590 1 16 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.527 1.452 18269 7591 1 16 . 1 1 99 99 GLU H H 99 7.308 7.308 7.451 -0.143 18269 7592 1 16 . 1 1 100 100 LEU N N 100 115.771 115.771 119.837 -4.066 18269 7593 1 16 . 1 1 100 100 LEU HA H 100 4.297 4.297 3.954 0.343 18269 7594 1 16 . 1 1 100 100 LEU CA C 100 55.682 55.682 56.653 -0.971 18269 7595 1 16 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.063 0.898 18269 7596 1 16 . 1 1 100 100 LEU H H 100 6.496 6.496 7.336 -0.840 18269 7597 1 16 . 1 1 101 101 LYS N N 101 125.672 125.672 112.751 12.921 18269 7598 1 16 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.939 0.655 18269 7599 1 16 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.477 -1.127 18269 7600 1 16 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.244 4.479 18269 7601 1 16 . 1 1 101 101 LYS H H 101 8.575 8.575 7.378 1.197 18269 7602 1 16 . 1 1 102 102 TYR N N 102 120.395 120.395 122.279 -1.884 18269 7603 1 16 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.441 -0.059 18269 7604 1 16 . 1 1 102 102 TYR CA C 102 60.024 60.024 58.251 1.773 18269 7605 1 16 . 1 1 102 102 TYR CB C 102 38.328 38.328 36.954 1.374 18269 7606 1 16 . 1 1 102 102 TYR H H 102 8.756 8.756 8.878 -0.122 18269 7607 1 16 . 1 1 103 103 GLU N N 103 121.550 121.550 119.234 2.316 18269 7608 1 16 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.068 0.324 18269 7609 1 16 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.055 -0.728 18269 7610 1 16 . 1 1 103 103 GLU CB C 103 30.302 30.302 28.547 1.755 18269 7611 1 16 . 1 1 103 103 GLU H H 103 8.835 8.835 8.163 0.672 18269 7612 1 16 . 1 1 104 104 LYS N N 104 122.957 122.957 125.837 -2.880 18269 7613 1 16 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.338 0.123 18269 7614 1 16 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.808 -0.534 18269 7615 1 16 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.676 1.371 18269 7616 1 16 . 1 1 104 104 LYS H H 104 8.490 8.490 8.504 -0.014 18269 7617 1 17 . 1 1 2 2 GLU N N 2 121.590 121.590 119.229 2.361 18269 7618 1 17 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.261 0.033 18269 7619 1 17 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.142 -0.625 18269 7620 1 17 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.853 0.298 18269 7621 1 17 . 1 1 2 2 GLU H H 2 8.621 8.621 8.577 0.044 18269 7622 1 17 . 1 1 3 3 ALA N N 3 125.815 125.815 126.365 -0.550 18269 7623 1 17 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.592 -0.226 18269 7624 1 17 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.251 0.406 18269 7625 1 17 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.165 -1.218 18269 7626 1 17 . 1 1 3 3 ALA H H 3 8.598 8.598 8.624 -0.026 18269 7627 1 17 . 1 1 4 4 GLY N N 4 108.386 108.386 106.052 2.334 18269 7628 1 17 . 1 1 4 4 GLY CA C 4 45.137 45.137 44.657 0.480 18269 7629 1 17 . 1 1 4 4 GLY H H 4 8.487 8.487 7.664 0.823 18269 7630 1 17 . 1 1 5 5 GLY N N 5 108.367 108.367 113.600 -5.233 18269 7631 1 17 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.786 -0.032 18269 7632 1 17 . 1 1 5 5 GLY H H 5 8.274 8.274 9.484 -1.210 18269 7633 1 17 . 1 1 6 6 ARG N N 6 121.577 121.577 116.176 5.401 18269 7634 1 17 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.052 0.623 18269 7635 1 17 . 1 1 6 6 ARG CA C 6 53.881 53.881 55.588 -1.707 18269 7636 1 17 . 1 1 6 6 ARG CB C 6 30.135 30.135 27.456 2.679 18269 7637 1 17 . 1 1 6 6 ARG H H 6 8.297 8.297 8.034 0.263 18269 7638 1 17 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.591 -0.100 18269 7639 1 17 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.392 0.961 18269 7640 1 17 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.393 1.654 18269 7641 1 17 . 1 1 8 8 GLY N N 8 109.658 109.658 106.861 2.797 18269 7642 1 17 . 1 1 8 8 GLY CA C 8 45.088 45.088 44.981 0.107 18269 7643 1 17 . 1 1 8 8 GLY H H 8 8.660 8.660 8.316 0.344 18269 7644 1 17 . 1 1 9 9 ALA N N 9 123.995 123.995 120.924 3.071 18269 7645 1 17 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.382 0.058 18269 7646 1 17 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.530 -0.733 18269 7647 1 17 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.911 0.368 18269 7648 1 17 . 1 1 9 9 ALA H H 9 8.200 8.200 7.440 0.760 18269 7649 1 17 . 1 1 10 10 ASP N N 10 119.834 119.834 118.748 1.086 18269 7650 1 17 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.681 -0.024 18269 7651 1 17 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.662 -0.122 18269 7652 1 17 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.764 -0.258 18269 7653 1 17 . 1 1 10 10 ASP H H 10 8.290 8.290 8.637 -0.347 18269 7654 1 17 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.701 -0.071 18269 7655 1 17 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.296 -4.538 18269 7656 1 17 . 1 1 11 11 CYS CB C 11 40.460 40.460 25.837 14.623 18269 7657 1 17 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.776 0.188 18269 7658 1 17 . 1 1 12 12 GLU CA C 12 61.377 61.377 58.872 2.505 18269 7659 1 17 . 1 1 12 12 GLU CB C 12 31.255 31.255 28.185 3.070 18269 7660 1 17 . 1 1 13 13 VAL N N 13 117.224 117.224 119.760 -2.536 18269 7661 1 17 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.376 0.370 18269 7662 1 17 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.355 -1.309 18269 7663 1 17 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.582 -0.364 18269 7664 1 17 . 1 1 13 13 VAL H H 13 7.040 7.040 7.973 -0.933 18269 7665 1 17 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.228 -0.143 18269 7666 1 17 . 1 1 14 14 CYS CA C 14 61.445 61.445 61.949 -0.504 18269 7667 1 17 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.049 15.170 18269 7668 1 17 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.055 0.004 18269 7669 1 17 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.972 -2.401 18269 7670 1 17 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.754 0.496 18269 7671 1 17 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.080 0.251 18269 7672 1 17 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.459 -0.285 18269 7673 1 17 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.396 0.010 18269 7674 1 17 . 1 1 16 16 GLU H H 16 8.098 8.098 8.347 -0.249 18269 7675 1 17 . 1 1 17 17 PHE N N 17 120.745 120.745 121.189 -0.444 18269 7676 1 17 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.328 -0.013 18269 7677 1 17 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.872 0.642 18269 7678 1 17 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.255 1.258 18269 7679 1 17 . 1 1 17 17 PHE H H 17 9.126 9.126 7.850 1.276 18269 7680 1 17 . 1 1 18 18 LEU N N 18 115.787 115.787 119.543 -3.756 18269 7681 1 17 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.796 0.347 18269 7682 1 17 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.591 -0.714 18269 7683 1 17 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.475 -0.523 18269 7684 1 17 . 1 1 18 18 LEU H H 18 8.505 8.505 8.631 -0.126 18269 7685 1 17 . 1 1 19 19 ASN N N 19 117.635 117.635 116.522 1.113 18269 7686 1 17 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.399 0.477 18269 7687 1 17 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.587 -0.113 18269 7688 1 17 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.812 -0.484 18269 7689 1 17 . 1 1 19 19 ASN H H 19 8.405 8.405 8.154 0.251 18269 7690 1 17 . 1 1 20 20 ARG N N 20 122.851 122.851 119.772 3.079 18269 7691 1 17 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.056 0.061 18269 7692 1 17 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.853 0.436 18269 7693 1 17 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.197 0.258 18269 7694 1 17 . 1 1 20 20 ARG H H 20 8.325 8.325 7.811 0.514 18269 7695 1 17 . 1 1 21 21 PHE N N 21 121.774 121.774 121.593 0.181 18269 7696 1 17 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.242 0.038 18269 7697 1 17 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.650 -1.639 18269 7698 1 17 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.166 -0.154 18269 7699 1 17 . 1 1 21 21 PHE H H 21 8.438 8.438 8.347 0.091 18269 7700 1 17 . 1 1 22 22 TYR N N 22 119.937 119.937 120.283 -0.346 18269 7701 1 17 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.912 -0.123 18269 7702 1 17 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.414 0.238 18269 7703 1 17 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.620 -0.346 18269 7704 1 17 . 1 1 22 22 TYR H H 22 8.708 8.708 8.703 0.005 18269 7705 1 17 . 1 1 23 23 LYS N N 23 116.431 116.431 116.510 -0.079 18269 7706 1 17 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.032 -0.173 18269 7707 1 17 . 1 1 23 23 LYS CA C 23 59.143 59.143 57.052 2.091 18269 7708 1 17 . 1 1 23 23 LYS CB C 23 32.217 32.217 32.011 0.206 18269 7709 1 17 . 1 1 23 23 LYS H H 23 7.928 7.928 8.095 -0.167 18269 7710 1 17 . 1 1 24 24 SER N N 24 113.888 113.888 117.608 -3.720 18269 7711 1 17 . 1 1 24 24 SER HA H 24 4.325 4.325 4.200 0.125 18269 7712 1 17 . 1 1 24 24 SER CA C 24 61.016 61.016 62.175 -1.159 18269 7713 1 17 . 1 1 24 24 SER CB C 24 62.837 62.837 62.727 0.110 18269 7714 1 17 . 1 1 24 24 SER H H 24 7.665 7.665 8.182 -0.517 18269 7715 1 17 . 1 1 25 25 LEU N N 25 119.663 119.663 120.863 -1.200 18269 7716 1 17 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.963 -0.284 18269 7717 1 17 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.189 0.316 18269 7718 1 17 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.105 0.797 18269 7719 1 17 . 1 1 25 25 LEU H H 25 7.573 7.573 7.804 -0.231 18269 7720 1 17 . 1 1 26 26 ILE N N 26 119.781 119.781 119.754 0.027 18269 7721 1 17 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.715 0.141 18269 7722 1 17 . 1 1 26 26 ILE CA C 26 63.549 63.549 62.694 0.855 18269 7723 1 17 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.778 0.527 18269 7724 1 17 . 1 1 26 26 ILE H H 26 8.094 8.094 7.404 0.690 18269 7725 1 17 . 1 1 27 27 ASP N N 27 122.421 122.421 120.864 1.557 18269 7726 1 17 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.360 0.016 18269 7727 1 17 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.800 0.220 18269 7728 1 17 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.147 -1.067 18269 7729 1 17 . 1 1 27 27 ASP H H 27 9.091 9.091 8.073 1.018 18269 7730 1 17 . 1 1 28 28 ARG N N 28 115.349 115.349 117.861 -2.512 18269 7731 1 17 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.376 -0.071 18269 7732 1 17 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.532 -0.034 18269 7733 1 17 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.668 0.945 18269 7734 1 17 . 1 1 28 28 ARG H H 28 7.587 7.587 8.234 -0.647 18269 7735 1 17 . 1 1 29 29 GLY N N 29 109.999 109.999 107.265 2.734 18269 7736 1 17 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.147 1.514 18269 7737 1 17 . 1 1 29 29 GLY H H 29 7.909 7.909 7.606 0.303 18269 7738 1 17 . 1 1 30 30 VAL N N 30 118.740 118.740 120.095 -1.355 18269 7739 1 17 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.390 -0.631 18269 7740 1 17 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.818 1.652 18269 7741 1 17 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.237 0.089 18269 7742 1 17 . 1 1 30 30 VAL H H 30 7.701 7.701 7.864 -0.163 18269 7743 1 17 . 1 1 31 31 ASN N N 31 123.250 123.250 123.431 -0.181 18269 7744 1 17 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.695 0.018 18269 7745 1 17 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.443 1.045 18269 7746 1 17 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.256 -1.045 18269 7747 1 17 . 1 1 31 31 ASN H H 31 8.498 8.498 7.970 0.528 18269 7748 1 17 . 1 1 32 32 PHE N N 32 126.076 126.076 118.393 7.683 18269 7749 1 17 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.101 0.037 18269 7750 1 17 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.767 -2.119 18269 7751 1 17 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.406 -1.627 18269 7752 1 17 . 1 1 32 32 PHE H H 32 8.783 8.783 8.913 -0.130 18269 7753 1 17 . 1 1 33 33 SER N N 33 115.958 115.958 118.715 -2.757 18269 7754 1 17 . 1 1 33 33 SER HA H 33 4.736 4.736 4.408 0.328 18269 7755 1 17 . 1 1 33 33 SER CA C 33 56.745 56.745 59.101 -2.356 18269 7756 1 17 . 1 1 33 33 SER CB C 33 64.899 64.899 63.771 1.128 18269 7757 1 17 . 1 1 33 33 SER H H 33 7.699 7.699 8.082 -0.383 18269 7758 1 17 . 1 1 34 34 LEU N N 34 124.359 124.359 127.876 -3.517 18269 7759 1 17 . 1 1 34 34 LEU HA H 34 3.853 3.853 3.959 -0.106 18269 7760 1 17 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.462 1.209 18269 7761 1 17 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.194 0.352 18269 7762 1 17 . 1 1 34 34 LEU H H 34 8.935 8.935 8.768 0.167 18269 7763 1 17 . 1 1 35 35 ASP N N 35 115.345 115.345 117.295 -1.950 18269 7764 1 17 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.515 -0.137 18269 7765 1 17 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.432 -0.574 18269 7766 1 17 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.280 -0.120 18269 7767 1 17 . 1 1 35 35 ASP H H 35 8.575 8.575 8.598 -0.023 18269 7768 1 17 . 1 1 36 36 THR N N 36 116.789 116.789 117.287 -0.498 18269 7769 1 17 . 1 1 36 36 THR HA H 36 4.015 4.015 4.183 -0.168 18269 7770 1 17 . 1 1 36 36 THR CA C 36 66.069 66.069 66.594 -0.525 18269 7771 1 17 . 1 1 36 36 THR CB C 36 68.780 68.780 68.859 -0.079 18269 7772 1 17 . 1 1 36 36 THR H H 36 7.593 7.593 7.216 0.377 18269 7773 1 17 . 1 1 37 37 ILE N N 37 120.685 120.685 120.544 0.141 18269 7774 1 17 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.881 -0.512 18269 7775 1 17 . 1 1 37 37 ILE CA C 37 65.800 65.800 63.208 2.592 18269 7776 1 17 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.005 1.085 18269 7777 1 17 . 1 1 37 37 ILE H H 37 8.436 8.436 8.734 -0.298 18269 7778 1 17 . 1 1 38 38 GLU N N 38 118.792 118.792 121.392 -2.600 18269 7779 1 17 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.893 -0.215 18269 7780 1 17 . 1 1 38 38 GLU CA C 38 61.060 61.060 60.024 1.036 18269 7781 1 17 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.436 0.435 18269 7782 1 17 . 1 1 38 38 GLU H H 38 8.122 8.122 7.830 0.292 18269 7783 1 17 . 1 1 39 39 LYS N N 39 116.986 116.986 119.695 -2.709 18269 7784 1 17 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.028 -0.067 18269 7785 1 17 . 1 1 39 39 LYS CA C 39 59.746 59.746 59.256 0.490 18269 7786 1 17 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.074 0.236 18269 7787 1 17 . 1 1 39 39 LYS H H 39 7.586 7.586 8.013 -0.427 18269 7788 1 17 . 1 1 40 40 GLU N N 40 117.892 117.892 119.236 -1.344 18269 7789 1 17 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.404 -0.199 18269 7790 1 17 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.228 0.131 18269 7791 1 17 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.580 -1.001 18269 7792 1 17 . 1 1 40 40 GLU H H 40 8.690 8.690 8.265 0.425 18269 7793 1 17 . 1 1 41 41 LEU N N 41 125.830 125.830 121.873 3.957 18269 7794 1 17 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.701 -0.154 18269 7795 1 17 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.215 -0.387 18269 7796 1 17 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.725 -1.387 18269 7797 1 17 . 1 1 41 41 LEU H H 41 8.978 8.978 8.587 0.391 18269 7798 1 17 . 1 1 42 42 ILE N N 42 119.900 119.900 119.386 0.514 18269 7799 1 17 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.559 0.025 18269 7800 1 17 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.377 0.455 18269 7801 1 17 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.762 0.028 18269 7802 1 17 . 1 1 42 42 ILE H H 42 7.884 7.884 8.081 -0.197 18269 7803 1 17 . 1 1 43 43 SER N N 43 114.071 114.071 115.591 -1.520 18269 7804 1 17 . 1 1 43 43 SER HA H 43 4.277 4.277 4.212 0.065 18269 7805 1 17 . 1 1 43 43 SER CA C 43 61.598 61.598 62.114 -0.516 18269 7806 1 17 . 1 1 43 43 SER CB C 43 62.767 62.767 63.219 -0.452 18269 7807 1 17 . 1 1 43 43 SER H H 43 7.791 7.791 7.990 -0.199 18269 7808 1 17 . 1 1 44 44 PHE N N 44 125.036 125.036 122.461 2.575 18269 7809 1 17 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.434 -0.105 18269 7810 1 17 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.301 -0.044 18269 7811 1 17 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.636 0.995 18269 7812 1 17 . 1 1 44 44 PHE H H 44 9.060 9.060 8.782 0.278 18269 7813 1 17 . 1 1 45 45 CYS N N 45 112.824 112.824 119.381 -6.557 18269 7814 1 17 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.399 0.207 18269 7815 1 17 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.270 -2.034 18269 7816 1 17 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.864 16.759 18269 7817 1 17 . 1 1 45 45 CYS H H 45 8.254 8.254 8.270 -0.016 18269 7818 1 17 . 1 1 46 46 LEU N N 46 123.875 123.875 119.869 4.006 18269 7819 1 17 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.340 -0.165 18269 7820 1 17 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.852 1.298 18269 7821 1 17 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.611 0.641 18269 7822 1 17 . 1 1 46 46 LEU H H 46 7.776 7.776 7.615 0.161 18269 7823 1 17 . 1 1 47 47 ASP N N 47 116.880 116.880 120.590 -3.710 18269 7824 1 17 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.582 0.328 18269 7825 1 17 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.384 -0.799 18269 7826 1 17 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.507 0.868 18269 7827 1 17 . 1 1 47 47 ASP H H 47 7.852 7.852 7.677 0.175 18269 7828 1 17 . 1 1 48 48 THR N N 48 108.053 108.053 111.762 -3.709 18269 7829 1 17 . 1 1 48 48 THR HA H 48 4.461 4.461 4.570 -0.109 18269 7830 1 17 . 1 1 48 48 THR CA C 48 60.844 60.844 60.579 0.265 18269 7831 1 17 . 1 1 48 48 THR CB C 48 73.395 73.395 71.554 1.841 18269 7832 1 17 . 1 1 48 48 THR H H 48 7.139 7.139 7.781 -0.642 18269 7833 1 17 . 1 1 49 49 LYS N N 49 118.308 118.308 119.577 -1.269 18269 7834 1 17 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.626 0.092 18269 7835 1 17 . 1 1 49 49 LYS CA C 49 54.044 54.044 55.051 -1.007 18269 7836 1 17 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.850 2.720 18269 7837 1 17 . 1 1 49 49 LYS H H 49 8.755 8.755 9.207 -0.452 18269 7838 1 17 . 1 1 50 50 GLY N N 50 108.996 108.996 110.394 -1.398 18269 7839 1 17 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.715 -0.872 18269 7840 1 17 . 1 1 50 50 GLY H H 50 8.866 8.866 8.672 0.194 18269 7841 1 17 . 1 1 51 51 LYS N N 51 126.155 126.155 121.201 4.954 18269 7842 1 17 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.102 -0.132 18269 7843 1 17 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.544 -1.434 18269 7844 1 17 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.150 0.469 18269 7845 1 17 . 1 1 51 51 LYS H H 51 9.254 9.254 8.694 0.560 18269 7846 1 17 . 1 1 52 52 GLU N N 52 116.496 116.496 119.099 -2.603 18269 7847 1 17 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.142 -0.619 18269 7848 1 17 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.200 0.190 18269 7849 1 17 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.757 -1.071 18269 7850 1 17 . 1 1 52 52 GLU H H 52 8.223 8.223 8.080 0.143 18269 7851 1 17 . 1 1 53 53 ASN N N 53 119.000 119.000 119.486 -0.486 18269 7852 1 17 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.737 -0.353 18269 7853 1 17 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.890 1.088 18269 7854 1 17 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.738 0.708 18269 7855 1 17 . 1 1 53 53 ASN H H 53 6.840 6.840 8.724 -1.884 18269 7856 1 17 . 1 1 54 54 ARG N N 54 118.480 118.480 118.782 -0.302 18269 7857 1 17 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.316 -0.547 18269 7858 1 17 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.132 0.265 18269 7859 1 17 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.015 -1.275 18269 7860 1 17 . 1 1 54 54 ARG H H 54 7.456 7.456 8.074 -0.618 18269 7861 1 17 . 1 1 55 55 LEU N N 55 118.688 118.688 122.147 -3.459 18269 7862 1 17 . 1 1 55 55 LEU HA H 55 3.808 3.808 3.227 0.581 18269 7863 1 17 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.796 0.663 18269 7864 1 17 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.660 -1.540 18269 7865 1 17 . 1 1 55 55 LEU H H 55 7.843 7.843 7.944 -0.101 18269 7866 1 17 . 1 1 56 56 CYS N N 56 115.905 115.905 115.935 -0.030 18269 7867 1 17 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.725 0.148 18269 7868 1 17 . 1 1 56 56 CYS CA C 56 63.037 63.037 60.329 2.708 18269 7869 1 17 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.011 16.894 18269 7870 1 17 . 1 1 56 56 CYS H H 56 7.752 7.752 7.602 0.150 18269 7871 1 17 . 1 1 57 57 TYR N N 57 121.810 121.810 121.558 0.252 18269 7872 1 17 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.199 -0.056 18269 7873 1 17 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.561 -0.246 18269 7874 1 17 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.955 -0.901 18269 7875 1 17 . 1 1 57 57 TYR H H 57 7.911 7.911 7.701 0.210 18269 7876 1 17 . 1 1 58 58 TYR N N 58 121.916 121.916 113.468 8.448 18269 7877 1 17 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.469 -0.094 18269 7878 1 17 . 1 1 58 58 TYR CA C 58 59.009 59.009 58.494 0.515 18269 7879 1 17 . 1 1 58 58 TYR CB C 58 38.024 38.024 37.948 0.076 18269 7880 1 17 . 1 1 58 58 TYR H H 58 8.334 8.334 7.145 1.189 18269 7881 1 17 . 1 1 59 59 LEU N N 59 114.461 114.461 118.685 -4.224 18269 7882 1 17 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.241 -0.121 18269 7883 1 17 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.900 -0.671 18269 7884 1 17 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.519 -0.474 18269 7885 1 17 . 1 1 59 59 LEU H H 59 8.079 8.079 7.239 0.840 18269 7886 1 17 . 1 1 60 60 GLY N N 60 102.559 102.559 104.831 -2.272 18269 7887 1 17 . 1 1 60 60 GLY CA C 60 45.572 45.572 44.834 0.738 18269 7888 1 17 . 1 1 60 60 GLY H H 60 7.562 7.562 7.636 -0.074 18269 7889 1 17 . 1 1 61 61 ALA N N 61 120.327 120.327 127.177 -6.850 18269 7890 1 17 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.458 -0.057 18269 7891 1 17 . 1 1 61 61 ALA CA C 61 51.265 51.265 52.459 -1.194 18269 7892 1 17 . 1 1 61 61 ALA CB C 61 20.337 20.337 20.796 -0.459 18269 7893 1 17 . 1 1 61 61 ALA H H 61 7.995 7.995 7.740 0.255 18269 7894 1 17 . 1 1 62 62 THR N N 62 106.895 106.895 114.392 -7.497 18269 7895 1 17 . 1 1 62 62 THR HA H 62 4.518 4.518 4.195 0.323 18269 7896 1 17 . 1 1 62 62 THR CA C 62 59.982 59.982 61.770 -1.788 18269 7897 1 17 . 1 1 62 62 THR CB C 62 70.540 70.540 69.561 0.979 18269 7898 1 17 . 1 1 62 62 THR H H 62 7.156 7.156 7.515 -0.359 18269 7899 1 17 . 1 1 63 63 LYS N N 63 121.251 121.251 123.130 -1.879 18269 7900 1 17 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.210 -0.113 18269 7901 1 17 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.640 0.632 18269 7902 1 17 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.067 0.088 18269 7903 1 17 . 1 1 63 63 LYS H H 63 8.626 8.626 8.477 0.149 18269 7904 1 17 . 1 1 64 64 ASP N N 64 116.607 116.607 117.330 -0.723 18269 7905 1 17 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.742 -0.185 18269 7906 1 17 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.677 -0.775 18269 7907 1 17 . 1 1 64 64 ASP CB C 64 40.106 40.106 40.792 -0.686 18269 7908 1 17 . 1 1 64 64 ASP H H 64 8.441 8.441 8.110 0.331 18269 7909 1 17 . 1 1 65 65 ALA N N 65 122.486 122.486 120.409 2.077 18269 7910 1 17 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.810 -0.725 18269 7911 1 17 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.974 1.575 18269 7912 1 17 . 1 1 65 65 ALA CB C 65 19.557 19.557 21.268 -1.711 18269 7913 1 17 . 1 1 65 65 ALA H H 65 7.368 7.368 7.251 0.117 18269 7914 1 17 . 1 1 66 66 ALA N N 66 124.171 124.171 122.744 1.427 18269 7915 1 17 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.271 0.173 18269 7916 1 17 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.531 -0.060 18269 7917 1 17 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.350 0.915 18269 7918 1 17 . 1 1 66 66 ALA H H 66 8.300 8.300 8.526 -0.226 18269 7919 1 17 . 1 1 67 67 THR N N 67 111.638 111.638 118.206 -6.568 18269 7920 1 17 . 1 1 67 67 THR HA H 67 4.496 4.496 4.168 0.328 18269 7921 1 17 . 1 1 67 67 THR CA C 67 60.881 60.881 63.646 -2.765 18269 7922 1 17 . 1 1 67 67 THR CB C 67 70.199 70.199 69.007 1.192 18269 7923 1 17 . 1 1 67 67 THR H H 67 7.730 7.730 8.578 -0.848 18269 7924 1 17 . 1 1 68 68 LYS N N 68 121.732 121.732 122.734 -1.002 18269 7925 1 17 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.093 0.443 18269 7926 1 17 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.968 -2.405 18269 7927 1 17 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.243 0.855 18269 7928 1 17 . 1 1 68 68 LYS H H 68 8.502 8.502 7.800 0.702 18269 7929 1 17 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.932 0.407 18269 7930 1 17 . 1 1 69 69 ILE CA C 69 61.706 61.706 62.729 -1.023 18269 7931 1 17 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.703 0.097 18269 7932 1 17 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.075 0.056 18269 7933 1 17 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.906 0.710 18269 7934 1 17 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.689 0.049 18269 7935 1 17 . 1 1 71 71 SER HA H 71 4.817 4.817 4.307 0.510 18269 7936 1 17 . 1 1 71 71 SER CA C 71 60.667 60.667 60.989 -0.322 18269 7937 1 17 . 1 1 71 71 SER CB C 71 62.646 62.646 62.592 0.054 18269 7938 1 17 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.184 0.080 18269 7939 1 17 . 1 1 72 72 GLU CA C 72 56.629 56.629 57.747 -1.118 18269 7940 1 17 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.006 -0.759 18269 7941 1 17 . 1 1 73 73 VAL N N 73 114.786 114.786 117.080 -2.294 18269 7942 1 17 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.076 0.026 18269 7943 1 17 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.499 -1.758 18269 7944 1 17 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.520 0.745 18269 7945 1 17 . 1 1 73 73 VAL H H 73 7.812 7.812 7.483 0.329 18269 7946 1 17 . 1 1 74 74 THR HA H 74 3.767 3.767 4.028 -0.261 18269 7947 1 17 . 1 1 74 74 THR CA C 74 65.584 65.584 66.381 -0.797 18269 7948 1 17 . 1 1 74 74 THR CB C 74 67.470 67.470 68.543 -1.073 18269 7949 1 17 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.050 0.196 18269 7950 1 17 . 1 1 75 75 ARG CA C 75 61.383 61.383 61.226 0.157 18269 7951 1 17 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.992 0.628 18269 7952 1 17 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.318 0.167 18269 7953 1 17 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.390 0.307 18269 7954 1 17 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.642 -0.747 18269 7955 1 17 . 1 1 77 77 MET N N 77 117.583 117.583 116.343 1.240 18269 7956 1 17 . 1 1 77 77 MET HA H 77 4.684 4.684 4.341 0.343 18269 7957 1 17 . 1 1 77 77 MET CA C 77 59.347 59.347 56.194 3.152 18269 7958 1 17 . 1 1 77 77 MET CB C 77 32.996 32.996 30.831 2.165 18269 7959 1 17 . 1 1 77 77 MET H H 77 7.685 7.685 8.511 -0.826 18269 7960 1 17 . 1 1 78 78 SER N N 78 114.578 114.578 114.778 -0.200 18269 7961 1 17 . 1 1 78 78 SER HA H 78 4.226 4.226 4.192 0.034 18269 7962 1 17 . 1 1 78 78 SER CA C 78 61.922 61.922 60.926 0.996 18269 7963 1 17 . 1 1 78 78 SER CB C 78 62.406 62.406 63.019 -0.613 18269 7964 1 17 . 1 1 78 78 SER H H 78 8.285 8.285 7.812 0.473 18269 7965 1 17 . 1 1 79 79 VAL N N 79 111.248 111.248 118.400 -7.152 18269 7966 1 17 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.048 0.703 18269 7967 1 17 . 1 1 79 79 VAL CA C 79 60.126 60.126 62.863 -2.737 18269 7968 1 17 . 1 1 79 79 VAL CB C 79 30.346 30.346 32.569 -2.223 18269 7969 1 17 . 1 1 79 79 VAL H H 79 7.004 7.004 7.657 -0.653 18269 7970 1 17 . 1 1 80 80 HIS N N 80 116.703 116.703 116.344 0.359 18269 7971 1 17 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.869 -0.753 18269 7972 1 17 . 1 1 80 80 HIS CA C 80 56.826 56.826 56.154 0.672 18269 7973 1 17 . 1 1 80 80 HIS CB C 80 25.889 25.889 31.415 -5.526 18269 7974 1 17 . 1 1 80 80 HIS H H 80 8.289 8.289 7.911 0.378 18269 7975 1 17 . 1 1 81 81 MET N N 81 120.978 120.978 116.465 4.513 18269 7976 1 17 . 1 1 81 81 MET HA H 81 4.512 4.512 4.344 0.168 18269 7977 1 17 . 1 1 81 81 MET CA C 81 55.007 55.007 55.798 -0.791 18269 7978 1 17 . 1 1 81 81 MET CB C 81 33.265 33.265 32.451 0.814 18269 7979 1 17 . 1 1 81 81 MET H H 81 8.006 8.006 8.512 -0.506 18269 7980 1 17 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.136 0.205 18269 7981 1 17 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.917 -1.681 18269 7982 1 17 . 1 1 82 82 PRO CB C 82 32.663 32.663 31.093 1.570 18269 7983 1 17 . 1 1 83 83 ALA N N 83 126.545 126.545 121.078 5.467 18269 7984 1 17 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.809 0.137 18269 7985 1 17 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.409 0.564 18269 7986 1 17 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.296 1.179 18269 7987 1 17 . 1 1 83 83 ALA H H 83 9.196 9.196 8.198 0.998 18269 7988 1 17 . 1 1 84 84 MET N N 84 114.734 114.734 117.174 -2.440 18269 7989 1 17 . 1 1 84 84 MET HA H 84 4.024 4.024 4.358 -0.334 18269 7990 1 17 . 1 1 84 84 MET CA C 84 58.812 58.812 58.556 0.256 18269 7991 1 17 . 1 1 84 84 MET CB C 84 32.242 32.242 32.349 -0.107 18269 7992 1 17 . 1 1 84 84 MET H H 84 9.289 9.289 7.919 1.370 18269 7993 1 17 . 1 1 85 85 LYS N N 85 116.490 116.490 119.171 -2.681 18269 7994 1 17 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.416 -0.242 18269 7995 1 17 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.222 -0.106 18269 7996 1 17 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.306 -0.513 18269 7997 1 17 . 1 1 85 85 LYS H H 85 6.997 6.997 8.165 -1.168 18269 7998 1 17 . 1 1 86 86 ILE N N 86 120.561 120.561 121.142 -0.581 18269 7999 1 17 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.658 -0.043 18269 8000 1 17 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.955 1.323 18269 8001 1 17 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.846 -0.326 18269 8002 1 17 . 1 1 86 86 ILE H H 86 7.875 7.875 7.812 0.063 18269 8003 1 17 . 1 1 87 87 CYS N N 87 117.323 117.323 117.880 -0.557 18269 8004 1 17 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.115 -0.039 18269 8005 1 17 . 1 1 87 87 CYS CA C 87 61.060 61.060 60.953 0.107 18269 8006 1 17 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.908 16.825 18269 8007 1 17 . 1 1 87 87 CYS H H 87 8.643 8.643 7.687 0.956 18269 8008 1 17 . 1 1 88 88 GLU N N 88 118.070 118.070 118.735 -0.665 18269 8009 1 17 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.144 -0.196 18269 8010 1 17 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.685 1.078 18269 8011 1 17 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.856 -0.092 18269 8012 1 17 . 1 1 88 88 GLU H H 88 8.045 8.045 7.474 0.571 18269 8013 1 17 . 1 1 89 89 LYS N N 89 119.719 119.719 121.125 -1.406 18269 8014 1 17 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.108 0.030 18269 8015 1 17 . 1 1 89 89 LYS CA C 89 59.130 59.130 59.115 0.014 18269 8016 1 17 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.432 -0.729 18269 8017 1 17 . 1 1 89 89 LYS H H 89 7.530 7.530 8.040 -0.510 18269 8018 1 17 . 1 1 90 90 LEU N N 90 119.550 119.550 119.188 0.362 18269 8019 1 17 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.098 -0.133 18269 8020 1 17 . 1 1 90 90 LEU CA C 90 57.343 57.343 56.936 0.407 18269 8021 1 17 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.501 -0.510 18269 8022 1 17 . 1 1 90 90 LEU H H 90 8.422 8.422 8.516 -0.094 18269 8023 1 17 . 1 1 91 91 LYS N N 91 119.180 119.180 119.134 0.046 18269 8024 1 17 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.096 -0.234 18269 8025 1 17 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.879 -0.274 18269 8026 1 17 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.966 0.511 18269 8027 1 17 . 1 1 91 91 LYS H H 91 8.218 8.218 7.606 0.612 18269 8028 1 17 . 1 1 92 92 LYS N N 92 113.632 113.632 119.907 -6.275 18269 8029 1 17 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.081 -0.028 18269 8030 1 17 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.920 -1.362 18269 8031 1 17 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.582 -0.648 18269 8032 1 17 . 1 1 92 92 LYS H H 92 6.984 6.984 7.530 -0.546 18269 8033 1 17 . 1 1 93 93 LEU N N 93 119.104 119.104 120.643 -1.539 18269 8034 1 17 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.342 -0.052 18269 8035 1 17 . 1 1 93 93 LEU CA C 93 56.104 56.104 54.533 1.571 18269 8036 1 17 . 1 1 93 93 LEU CB C 93 42.102 42.102 40.657 1.444 18269 8037 1 17 . 1 1 93 93 LEU H H 93 7.456 7.456 7.533 -0.077 18269 8038 1 17 . 1 1 94 94 ASP N N 94 116.790 116.790 120.970 -4.180 18269 8039 1 17 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.377 0.179 18269 8040 1 17 . 1 1 94 94 ASP CA C 94 54.366 54.366 54.921 -0.555 18269 8041 1 17 . 1 1 94 94 ASP CB C 94 41.173 41.173 40.856 0.317 18269 8042 1 17 . 1 1 94 94 ASP H H 94 7.911 7.911 7.983 -0.072 18269 8043 1 17 . 1 1 95 95 SER N N 95 122.399 122.399 117.819 4.580 18269 8044 1 17 . 1 1 95 95 SER HA H 95 4.186 4.186 4.209 -0.023 18269 8045 1 17 . 1 1 95 95 SER CA C 95 61.472 61.472 60.810 0.662 18269 8046 1 17 . 1 1 95 95 SER CB C 95 62.568 62.568 63.419 -0.851 18269 8047 1 17 . 1 1 95 95 SER H H 95 8.894 8.894 8.644 0.250 18269 8048 1 17 . 1 1 96 96 GLN N N 96 120.800 120.800 122.819 -2.019 18269 8049 1 17 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.023 -0.161 18269 8050 1 17 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.622 -0.471 18269 8051 1 17 . 1 1 96 96 GLN CB C 96 28.417 28.417 27.718 0.699 18269 8052 1 17 . 1 1 96 96 GLN H H 96 8.610 8.610 8.515 0.095 18269 8053 1 17 . 1 1 97 97 ILE N N 97 117.387 117.387 119.428 -2.041 18269 8054 1 17 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.443 -0.044 18269 8055 1 17 . 1 1 97 97 ILE CA C 97 65.831 65.831 64.280 1.551 18269 8056 1 17 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.933 0.341 18269 8057 1 17 . 1 1 97 97 ILE H H 97 7.470 7.470 7.519 -0.049 18269 8058 1 17 . 1 1 98 98 CYS N N 98 113.485 113.485 116.606 -3.121 18269 8059 1 17 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.413 0.658 18269 8060 1 17 . 1 1 98 98 CYS CA C 98 61.973 61.973 58.755 3.218 18269 8061 1 17 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.099 21.487 18269 8062 1 17 . 1 1 98 98 CYS H H 98 7.410 7.410 7.867 -0.457 18269 8063 1 17 . 1 1 99 99 GLU N N 99 119.123 119.123 119.166 -0.043 18269 8064 1 17 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.464 -0.141 18269 8065 1 17 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.193 1.533 18269 8066 1 17 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.428 1.551 18269 8067 1 17 . 1 1 99 99 GLU H H 99 7.308 7.308 7.728 -0.420 18269 8068 1 17 . 1 1 100 100 LEU N N 100 115.771 115.771 120.227 -4.456 18269 8069 1 17 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.270 0.027 18269 8070 1 17 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.682 -0.000 18269 8071 1 17 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.933 0.028 18269 8072 1 17 . 1 1 100 100 LEU H H 100 6.496 6.496 7.575 -1.079 18269 8073 1 17 . 1 1 101 101 LYS N N 101 125.672 125.672 114.743 10.929 18269 8074 1 17 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.696 0.898 18269 8075 1 17 . 1 1 101 101 LYS CA C 101 55.350 55.350 59.195 -3.845 18269 8076 1 17 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.100 4.623 18269 8077 1 17 . 1 1 101 101 LYS H H 101 8.575 8.575 7.904 0.671 18269 8078 1 17 . 1 1 102 102 TYR N N 102 120.395 120.395 115.282 5.113 18269 8079 1 17 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.474 -0.092 18269 8080 1 17 . 1 1 102 102 TYR CA C 102 60.024 60.024 59.422 0.602 18269 8081 1 17 . 1 1 102 102 TYR CB C 102 38.328 38.328 39.461 -1.133 18269 8082 1 17 . 1 1 102 102 TYR H H 102 8.756 8.756 8.110 0.646 18269 8083 1 17 . 1 1 103 103 GLU N N 103 121.550 121.550 118.525 3.025 18269 8084 1 17 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.427 -0.035 18269 8085 1 17 . 1 1 103 103 GLU CA C 103 56.327 56.327 58.301 -1.974 18269 8086 1 17 . 1 1 103 103 GLU CB C 103 30.302 30.302 30.659 -0.357 18269 8087 1 17 . 1 1 103 103 GLU H H 103 8.835 8.835 8.724 0.111 18269 8088 1 17 . 1 1 104 104 LYS N N 104 122.957 122.957 115.714 7.243 18269 8089 1 17 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.475 -0.014 18269 8090 1 17 . 1 1 104 104 LYS CA C 104 56.274 56.274 56.707 -0.433 18269 8091 1 17 . 1 1 104 104 LYS CB C 104 33.047 33.047 33.878 -0.831 18269 8092 1 17 . 1 1 104 104 LYS H H 104 8.490 8.490 8.138 0.352 18269 8093 1 18 . 1 1 2 2 GLU N N 2 121.590 121.590 115.651 5.939 18269 8094 1 18 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.141 0.153 18269 8095 1 18 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.209 -0.692 18269 8096 1 18 . 1 1 2 2 GLU CB C 2 30.151 30.151 28.750 1.401 18269 8097 1 18 . 1 1 2 2 GLU H H 2 8.621 8.621 8.538 0.083 18269 8098 1 18 . 1 1 3 3 ALA N N 3 125.815 125.815 121.084 4.731 18269 8099 1 18 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.660 -0.294 18269 8100 1 18 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.445 1.212 18269 8101 1 18 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.349 -1.403 18269 8102 1 18 . 1 1 3 3 ALA H H 3 8.598 8.598 9.155 -0.557 18269 8103 1 18 . 1 1 4 4 GLY N N 4 108.386 108.386 107.350 1.036 18269 8104 1 18 . 1 1 4 4 GLY CA C 4 45.137 45.137 46.047 -0.910 18269 8105 1 18 . 1 1 4 4 GLY H H 4 8.487 8.487 7.826 0.661 18269 8106 1 18 . 1 1 5 5 GLY N N 5 108.367 108.367 113.177 -4.810 18269 8107 1 18 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.738 0.016 18269 8108 1 18 . 1 1 5 5 GLY H H 5 8.274 8.274 8.217 0.057 18269 8109 1 18 . 1 1 6 6 ARG N N 6 121.577 121.577 120.019 1.558 18269 8110 1 18 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.930 -0.255 18269 8111 1 18 . 1 1 6 6 ARG CA C 6 53.881 53.881 52.928 0.953 18269 8112 1 18 . 1 1 6 6 ARG CB C 6 30.135 30.135 31.022 -0.887 18269 8113 1 18 . 1 1 6 6 ARG H H 6 8.297 8.297 8.202 0.095 18269 8114 1 18 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.719 -0.228 18269 8115 1 18 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.475 0.878 18269 8116 1 18 . 1 1 7 7 PRO CB C 7 32.047 32.047 31.043 1.004 18269 8117 1 18 . 1 1 8 8 GLY N N 8 109.658 109.658 110.085 -0.427 18269 8118 1 18 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.335 -1.247 18269 8119 1 18 . 1 1 8 8 GLY H H 8 8.660 8.660 8.231 0.429 18269 8120 1 18 . 1 1 9 9 ALA N N 9 123.995 123.995 119.164 4.831 18269 8121 1 18 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.318 0.122 18269 8122 1 18 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.809 -1.012 18269 8123 1 18 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.943 0.336 18269 8124 1 18 . 1 1 9 9 ALA H H 9 8.200 8.200 7.983 0.217 18269 8125 1 18 . 1 1 10 10 ASP N N 10 119.834 119.834 117.504 2.330 18269 8126 1 18 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.676 -0.019 18269 8127 1 18 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.145 -0.605 18269 8128 1 18 . 1 1 10 10 ASP CB C 10 41.506 41.506 41.469 0.037 18269 8129 1 18 . 1 1 10 10 ASP H H 10 8.290 8.290 8.177 0.113 18269 8130 1 18 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.270 0.360 18269 8131 1 18 . 1 1 11 11 CYS CA C 11 54.758 54.758 62.387 -7.629 18269 8132 1 18 . 1 1 11 11 CYS CB C 11 40.460 40.460 26.953 13.507 18269 8133 1 18 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.321 -0.357 18269 8134 1 18 . 1 1 12 12 GLU CA C 12 61.377 61.377 57.816 3.561 18269 8135 1 18 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.637 1.618 18269 8136 1 18 . 1 1 13 13 VAL N N 13 117.224 117.224 121.343 -4.119 18269 8137 1 18 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.753 -0.007 18269 8138 1 18 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.653 -1.607 18269 8139 1 18 . 1 1 13 13 VAL CB C 13 31.218 31.218 30.837 0.381 18269 8140 1 18 . 1 1 13 13 VAL H H 13 7.040 7.040 8.426 -1.386 18269 8141 1 18 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.141 -0.056 18269 8142 1 18 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.582 -1.137 18269 8143 1 18 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.047 15.171 18269 8144 1 18 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.048 0.011 18269 8145 1 18 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.144 -1.573 18269 8146 1 18 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.987 0.263 18269 8147 1 18 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.111 0.220 18269 8148 1 18 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.607 -0.433 18269 8149 1 18 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.443 -0.037 18269 8150 1 18 . 1 1 16 16 GLU H H 16 8.098 8.098 8.467 -0.369 18269 8151 1 18 . 1 1 17 17 PHE N N 17 120.745 120.745 120.848 -0.103 18269 8152 1 18 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.393 -0.078 18269 8153 1 18 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.144 0.370 18269 8154 1 18 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.246 1.267 18269 8155 1 18 . 1 1 17 17 PHE H H 17 9.126 9.126 8.104 1.022 18269 8156 1 18 . 1 1 18 18 LEU N N 18 115.787 115.787 118.678 -2.891 18269 8157 1 18 . 1 1 18 18 LEU HA H 18 4.143 4.143 4.005 0.138 18269 8158 1 18 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.272 -0.395 18269 8159 1 18 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.362 -0.410 18269 8160 1 18 . 1 1 18 18 LEU H H 18 8.505 8.505 8.127 0.378 18269 8161 1 18 . 1 1 19 19 ASN N N 19 117.635 117.635 117.371 0.264 18269 8162 1 18 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.368 0.508 18269 8163 1 18 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.864 -0.390 18269 8164 1 18 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.873 -0.545 18269 8165 1 18 . 1 1 19 19 ASN H H 19 8.405 8.405 8.187 0.218 18269 8166 1 18 . 1 1 20 20 ARG N N 20 122.851 122.851 118.982 3.869 18269 8167 1 18 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.094 0.023 18269 8168 1 18 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.638 0.651 18269 8169 1 18 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.136 0.319 18269 8170 1 18 . 1 1 20 20 ARG H H 20 8.325 8.325 7.891 0.434 18269 8171 1 18 . 1 1 21 21 PHE N N 21 121.774 121.774 121.940 -0.166 18269 8172 1 18 . 1 1 21 21 PHE HA H 21 3.280 3.280 2.896 0.384 18269 8173 1 18 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.474 -1.463 18269 8174 1 18 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.083 -0.072 18269 8175 1 18 . 1 1 21 21 PHE H H 21 8.438 8.438 8.359 0.079 18269 8176 1 18 . 1 1 22 22 TYR N N 22 119.937 119.937 120.239 -0.302 18269 8177 1 18 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.727 0.062 18269 8178 1 18 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.119 -0.467 18269 8179 1 18 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.456 -0.182 18269 8180 1 18 . 1 1 22 22 TYR H H 22 8.708 8.708 8.484 0.224 18269 8181 1 18 . 1 1 23 23 LYS N N 23 116.431 116.431 117.523 -1.092 18269 8182 1 18 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.922 -0.063 18269 8183 1 18 . 1 1 23 23 LYS CA C 23 59.143 59.143 57.928 1.215 18269 8184 1 18 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.477 0.740 18269 8185 1 18 . 1 1 23 23 LYS H H 23 7.928 7.928 8.375 -0.447 18269 8186 1 18 . 1 1 24 24 SER N N 24 113.888 113.888 116.804 -2.916 18269 8187 1 18 . 1 1 24 24 SER HA H 24 4.325 4.325 4.175 0.150 18269 8188 1 18 . 1 1 24 24 SER CA C 24 61.016 61.016 62.112 -1.097 18269 8189 1 18 . 1 1 24 24 SER CB C 24 62.837 62.837 62.778 0.059 18269 8190 1 18 . 1 1 24 24 SER H H 24 7.665 7.665 8.340 -0.675 18269 8191 1 18 . 1 1 25 25 LEU N N 25 119.663 119.663 122.434 -2.771 18269 8192 1 18 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.978 -0.299 18269 8193 1 18 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.638 -0.133 18269 8194 1 18 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.178 0.724 18269 8195 1 18 . 1 1 25 25 LEU H H 25 7.573 7.573 7.383 0.190 18269 8196 1 18 . 1 1 26 26 ILE N N 26 119.781 119.781 119.703 0.078 18269 8197 1 18 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.526 0.330 18269 8198 1 18 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.517 0.031 18269 8199 1 18 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.566 0.738 18269 8200 1 18 . 1 1 26 26 ILE H H 26 8.094 8.094 7.545 0.549 18269 8201 1 18 . 1 1 27 27 ASP N N 27 122.421 122.421 120.191 2.230 18269 8202 1 18 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.367 0.009 18269 8203 1 18 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.681 0.339 18269 8204 1 18 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.153 -1.073 18269 8205 1 18 . 1 1 27 27 ASP H H 27 9.091 9.091 8.209 0.882 18269 8206 1 18 . 1 1 28 28 ARG N N 28 115.349 115.349 117.159 -1.810 18269 8207 1 18 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.309 -0.004 18269 8208 1 18 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.352 0.146 18269 8209 1 18 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.866 0.747 18269 8210 1 18 . 1 1 28 28 ARG H H 28 7.587 7.587 7.891 -0.304 18269 8211 1 18 . 1 1 29 29 GLY N N 29 109.999 109.999 107.790 2.209 18269 8212 1 18 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.391 1.270 18269 8213 1 18 . 1 1 29 29 GLY H H 29 7.909 7.909 7.871 0.038 18269 8214 1 18 . 1 1 30 30 VAL N N 30 118.740 118.740 121.288 -2.548 18269 8215 1 18 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.303 -0.544 18269 8216 1 18 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.521 1.949 18269 8217 1 18 . 1 1 30 30 VAL CB C 30 32.326 32.326 30.104 2.222 18269 8218 1 18 . 1 1 30 30 VAL H H 30 7.701 7.701 7.881 -0.180 18269 8219 1 18 . 1 1 31 31 ASN N N 31 123.250 123.250 119.220 4.030 18269 8220 1 18 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.749 -0.036 18269 8221 1 18 . 1 1 31 31 ASN CA C 31 53.488 53.488 51.798 1.690 18269 8222 1 18 . 1 1 31 31 ASN CB C 31 39.211 39.211 40.283 -1.073 18269 8223 1 18 . 1 1 31 31 ASN H H 31 8.498 8.498 7.409 1.089 18269 8224 1 18 . 1 1 32 32 PHE N N 32 126.076 126.076 118.487 7.589 18269 8225 1 18 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.212 -0.074 18269 8226 1 18 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.670 -2.023 18269 8227 1 18 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.233 -1.454 18269 8228 1 18 . 1 1 32 32 PHE H H 32 8.783 8.783 9.100 -0.317 18269 8229 1 18 . 1 1 33 33 SER N N 33 115.958 115.958 119.429 -3.471 18269 8230 1 18 . 1 1 33 33 SER HA H 33 4.736 4.736 4.400 0.336 18269 8231 1 18 . 1 1 33 33 SER CA C 33 56.745 56.745 59.145 -2.400 18269 8232 1 18 . 1 1 33 33 SER CB C 33 64.899 64.899 63.150 1.749 18269 8233 1 18 . 1 1 33 33 SER H H 33 7.699 7.699 8.258 -0.559 18269 8234 1 18 . 1 1 34 34 LEU N N 34 124.359 124.359 129.030 -4.671 18269 8235 1 18 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.015 -0.162 18269 8236 1 18 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.495 1.177 18269 8237 1 18 . 1 1 34 34 LEU CB C 34 41.546 41.546 40.842 0.704 18269 8238 1 18 . 1 1 34 34 LEU H H 34 8.935 8.935 8.669 0.266 18269 8239 1 18 . 1 1 35 35 ASP N N 35 115.345 115.345 117.573 -2.228 18269 8240 1 18 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.410 -0.032 18269 8241 1 18 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.635 -0.777 18269 8242 1 18 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.788 -0.628 18269 8243 1 18 . 1 1 35 35 ASP H H 35 8.575 8.575 8.731 -0.156 18269 8244 1 18 . 1 1 36 36 THR N N 36 116.789 116.789 115.890 0.899 18269 8245 1 18 . 1 1 36 36 THR HA H 36 4.015 4.015 4.109 -0.094 18269 8246 1 18 . 1 1 36 36 THR CA C 36 66.069 66.069 66.431 -0.362 18269 8247 1 18 . 1 1 36 36 THR CB C 36 68.780 68.780 68.987 -0.207 18269 8248 1 18 . 1 1 36 36 THR H H 36 7.593 7.593 7.227 0.366 18269 8249 1 18 . 1 1 37 37 ILE N N 37 120.685 120.685 122.148 -1.463 18269 8250 1 18 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.765 -0.396 18269 8251 1 18 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.813 -0.013 18269 8252 1 18 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.567 -0.476 18269 8253 1 18 . 1 1 37 37 ILE H H 37 8.436 8.436 8.638 -0.202 18269 8254 1 18 . 1 1 38 38 GLU N N 38 118.792 118.792 121.336 -2.544 18269 8255 1 18 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.905 -0.227 18269 8256 1 18 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.986 1.075 18269 8257 1 18 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.485 0.386 18269 8258 1 18 . 1 1 38 38 GLU H H 38 8.122 8.122 8.320 -0.198 18269 8259 1 18 . 1 1 39 39 LYS N N 39 116.986 116.986 119.618 -2.632 18269 8260 1 18 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.086 -0.125 18269 8261 1 18 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.846 0.900 18269 8262 1 18 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.108 0.202 18269 8263 1 18 . 1 1 39 39 LYS H H 39 7.586 7.586 7.696 -0.110 18269 8264 1 18 . 1 1 40 40 GLU N N 40 117.892 117.892 120.084 -2.192 18269 8265 1 18 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.289 -0.084 18269 8266 1 18 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.160 -0.801 18269 8267 1 18 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.617 -1.038 18269 8268 1 18 . 1 1 40 40 GLU H H 40 8.690 8.690 8.359 0.331 18269 8269 1 18 . 1 1 41 41 LEU N N 41 125.830 125.830 121.159 4.671 18269 8270 1 18 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.905 -0.358 18269 8271 1 18 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.092 -0.264 18269 8272 1 18 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.751 -1.413 18269 8273 1 18 . 1 1 41 41 LEU H H 41 8.978 8.978 8.604 0.374 18269 8274 1 18 . 1 1 42 42 ILE N N 42 119.900 119.900 119.473 0.427 18269 8275 1 18 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.565 0.019 18269 8276 1 18 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.516 0.316 18269 8277 1 18 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.703 0.087 18269 8278 1 18 . 1 1 42 42 ILE H H 42 7.884 7.884 7.818 0.066 18269 8279 1 18 . 1 1 43 43 SER N N 43 114.071 114.071 116.172 -2.101 18269 8280 1 18 . 1 1 43 43 SER HA H 43 4.277 4.277 4.219 0.058 18269 8281 1 18 . 1 1 43 43 SER CA C 43 61.598 61.598 62.201 -0.603 18269 8282 1 18 . 1 1 43 43 SER CB C 43 62.767 62.767 63.163 -0.396 18269 8283 1 18 . 1 1 43 43 SER H H 43 7.791 7.791 8.246 -0.455 18269 8284 1 18 . 1 1 44 44 PHE N N 44 125.036 125.036 122.183 2.853 18269 8285 1 18 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.258 0.071 18269 8286 1 18 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.522 -0.265 18269 8287 1 18 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.301 1.330 18269 8288 1 18 . 1 1 44 44 PHE H H 44 9.060 9.060 8.943 0.117 18269 8289 1 18 . 1 1 45 45 CYS N N 45 112.824 112.824 120.086 -7.262 18269 8290 1 18 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.362 0.244 18269 8291 1 18 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.747 -3.511 18269 8292 1 18 . 1 1 45 45 CYS CB C 45 42.623 42.623 26.155 16.468 18269 8293 1 18 . 1 1 45 45 CYS H H 45 8.254 8.254 8.341 -0.087 18269 8294 1 18 . 1 1 46 46 LEU N N 46 123.875 123.875 116.772 7.103 18269 8295 1 18 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.340 -0.165 18269 8296 1 18 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.055 2.096 18269 8297 1 18 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.106 0.146 18269 8298 1 18 . 1 1 46 46 LEU H H 46 7.776 7.776 7.677 0.099 18269 8299 1 18 . 1 1 47 47 ASP N N 47 116.880 116.880 117.828 -0.948 18269 8300 1 18 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.707 0.203 18269 8301 1 18 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.530 -0.945 18269 8302 1 18 . 1 1 47 47 ASP CB C 47 40.375 40.375 41.666 -1.291 18269 8303 1 18 . 1 1 47 47 ASP H H 47 7.852 7.852 7.902 -0.050 18269 8304 1 18 . 1 1 48 48 THR N N 48 108.053 108.053 113.902 -5.849 18269 8305 1 18 . 1 1 48 48 THR HA H 48 4.461 4.461 4.117 0.344 18269 8306 1 18 . 1 1 48 48 THR CA C 48 60.844 60.844 61.432 -0.588 18269 8307 1 18 . 1 1 48 48 THR CB C 48 73.395 73.395 69.923 3.472 18269 8308 1 18 . 1 1 48 48 THR H H 48 7.139 7.139 7.391 -0.252 18269 8309 1 18 . 1 1 49 49 LYS N N 49 118.308 118.308 119.358 -1.050 18269 8310 1 18 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.493 0.225 18269 8311 1 18 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.700 -0.656 18269 8312 1 18 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.090 3.480 18269 8313 1 18 . 1 1 49 49 LYS H H 49 8.755 8.755 9.228 -0.473 18269 8314 1 18 . 1 1 50 50 GLY N N 50 108.996 108.996 110.265 -1.269 18269 8315 1 18 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.955 -1.112 18269 8316 1 18 . 1 1 50 50 GLY H H 50 8.866 8.866 8.662 0.204 18269 8317 1 18 . 1 1 51 51 LYS N N 51 126.155 126.155 121.075 5.080 18269 8318 1 18 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.082 -0.112 18269 8319 1 18 . 1 1 51 51 LYS CA C 51 58.110 58.110 58.977 -0.868 18269 8320 1 18 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.971 0.648 18269 8321 1 18 . 1 1 51 51 LYS H H 51 9.254 9.254 8.665 0.589 18269 8322 1 18 . 1 1 52 52 GLU N N 52 116.496 116.496 119.573 -3.077 18269 8323 1 18 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.174 -0.651 18269 8324 1 18 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.426 -0.036 18269 8325 1 18 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.541 -0.855 18269 8326 1 18 . 1 1 52 52 GLU H H 52 8.223 8.223 7.940 0.283 18269 8327 1 18 . 1 1 53 53 ASN N N 53 119.000 119.000 117.044 1.956 18269 8328 1 18 . 1 1 53 53 ASN HA H 53 4.384 4.384 5.023 -0.639 18269 8329 1 18 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.451 1.527 18269 8330 1 18 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.715 0.731 18269 8331 1 18 . 1 1 53 53 ASN H H 53 6.840 6.840 8.646 -1.806 18269 8332 1 18 . 1 1 54 54 ARG N N 54 118.480 118.480 118.303 0.177 18269 8333 1 18 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.385 -0.616 18269 8334 1 18 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.252 0.145 18269 8335 1 18 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.045 -1.305 18269 8336 1 18 . 1 1 54 54 ARG H H 54 7.456 7.456 7.303 0.153 18269 8337 1 18 . 1 1 55 55 LEU N N 55 118.688 118.688 122.476 -3.788 18269 8338 1 18 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.134 -0.326 18269 8339 1 18 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.697 0.762 18269 8340 1 18 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.434 -1.313 18269 8341 1 18 . 1 1 55 55 LEU H H 55 7.843 7.843 8.257 -0.414 18269 8342 1 18 . 1 1 56 56 CYS N N 56 115.905 115.905 117.718 -1.813 18269 8343 1 18 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.826 0.047 18269 8344 1 18 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.541 1.496 18269 8345 1 18 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.329 16.576 18269 8346 1 18 . 1 1 56 56 CYS H H 56 7.752 7.752 8.100 -0.348 18269 8347 1 18 . 1 1 57 57 TYR N N 57 121.810 121.810 118.664 3.146 18269 8348 1 18 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.352 -0.209 18269 8349 1 18 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.586 0.729 18269 8350 1 18 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.737 -0.683 18269 8351 1 18 . 1 1 57 57 TYR H H 57 7.911 7.911 8.026 -0.115 18269 8352 1 18 . 1 1 58 58 TYR N N 58 121.916 121.916 116.796 5.120 18269 8353 1 18 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.306 0.069 18269 8354 1 18 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.483 -1.474 18269 8355 1 18 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.641 -0.617 18269 8356 1 18 . 1 1 58 58 TYR H H 58 8.334 8.334 7.332 1.002 18269 8357 1 18 . 1 1 59 59 LEU N N 59 114.461 114.461 117.492 -3.031 18269 8358 1 18 . 1 1 59 59 LEU HA H 59 4.120 4.120 3.964 0.156 18269 8359 1 18 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.554 -1.325 18269 8360 1 18 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.497 -0.452 18269 8361 1 18 . 1 1 59 59 LEU H H 59 8.079 8.079 8.380 -0.301 18269 8362 1 18 . 1 1 60 60 GLY N N 60 102.559 102.559 103.328 -0.769 18269 8363 1 18 . 1 1 60 60 GLY CA C 60 45.572 45.572 44.681 0.891 18269 8364 1 18 . 1 1 60 60 GLY H H 60 7.562 7.562 7.615 -0.053 18269 8365 1 18 . 1 1 61 61 ALA N N 61 120.327 120.327 124.290 -3.963 18269 8366 1 18 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.762 -0.361 18269 8367 1 18 . 1 1 61 61 ALA CA C 61 51.265 51.265 50.307 0.958 18269 8368 1 18 . 1 1 61 61 ALA CB C 61 20.337 20.337 21.997 -1.660 18269 8369 1 18 . 1 1 61 61 ALA H H 61 7.995 7.995 7.940 0.055 18269 8370 1 18 . 1 1 62 62 THR N N 62 106.895 106.895 109.863 -2.968 18269 8371 1 18 . 1 1 62 62 THR HA H 62 4.518 4.518 3.869 0.649 18269 8372 1 18 . 1 1 62 62 THR CA C 62 59.982 59.982 62.415 -2.433 18269 8373 1 18 . 1 1 62 62 THR CB C 62 70.540 70.540 68.578 1.962 18269 8374 1 18 . 1 1 62 62 THR H H 62 7.156 7.156 8.532 -1.376 18269 8375 1 18 . 1 1 63 63 LYS N N 63 121.251 121.251 122.412 -1.161 18269 8376 1 18 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.211 -0.114 18269 8377 1 18 . 1 1 63 63 LYS CA C 63 58.272 58.272 56.797 1.475 18269 8378 1 18 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.172 -0.017 18269 8379 1 18 . 1 1 63 63 LYS H H 63 8.626 8.626 8.468 0.158 18269 8380 1 18 . 1 1 64 64 ASP N N 64 116.607 116.607 118.826 -2.219 18269 8381 1 18 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.659 -0.102 18269 8382 1 18 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.672 -0.770 18269 8383 1 18 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.888 -1.782 18269 8384 1 18 . 1 1 64 64 ASP H H 64 8.441 8.441 7.926 0.515 18269 8385 1 18 . 1 1 65 65 ALA N N 65 122.486 122.486 121.730 0.756 18269 8386 1 18 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.545 -0.460 18269 8387 1 18 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.731 1.818 18269 8388 1 18 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.984 -1.427 18269 8389 1 18 . 1 1 65 65 ALA H H 65 7.368 7.368 7.222 0.146 18269 8390 1 18 . 1 1 66 66 ALA N N 66 124.171 124.171 119.523 4.648 18269 8391 1 18 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.193 0.251 18269 8392 1 18 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.352 0.119 18269 8393 1 18 . 1 1 66 66 ALA CB C 66 19.265 19.265 19.033 0.232 18269 8394 1 18 . 1 1 66 66 ALA H H 66 8.300 8.300 8.373 -0.073 18269 8395 1 18 . 1 1 67 67 THR N N 67 111.638 111.638 117.745 -6.107 18269 8396 1 18 . 1 1 67 67 THR HA H 67 4.496 4.496 4.160 0.336 18269 8397 1 18 . 1 1 67 67 THR CA C 67 60.881 60.881 64.240 -3.359 18269 8398 1 18 . 1 1 67 67 THR CB C 67 70.199 70.199 69.154 1.045 18269 8399 1 18 . 1 1 67 67 THR H H 67 7.730 7.730 8.364 -0.634 18269 8400 1 18 . 1 1 68 68 LYS N N 68 121.732 121.732 122.305 -0.573 18269 8401 1 18 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.064 0.472 18269 8402 1 18 . 1 1 68 68 LYS CA C 68 56.562 56.562 59.603 -3.041 18269 8403 1 18 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.242 0.857 18269 8404 1 18 . 1 1 68 68 LYS H H 68 8.502 8.502 8.104 0.398 18269 8405 1 18 . 1 1 69 69 ILE HA H 69 4.339 4.339 4.041 0.298 18269 8406 1 18 . 1 1 69 69 ILE CA C 69 61.706 61.706 62.492 -0.785 18269 8407 1 18 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.617 0.183 18269 8408 1 18 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.301 -0.170 18269 8409 1 18 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.851 0.765 18269 8410 1 18 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.462 0.277 18269 8411 1 18 . 1 1 71 71 SER HA H 71 4.817 4.817 4.283 0.534 18269 8412 1 18 . 1 1 71 71 SER CA C 71 60.667 60.667 61.434 -0.767 18269 8413 1 18 . 1 1 71 71 SER CB C 71 62.646 62.646 62.688 -0.042 18269 8414 1 18 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.092 0.172 18269 8415 1 18 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.891 -2.262 18269 8416 1 18 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.621 -1.374 18269 8417 1 18 . 1 1 73 73 VAL N N 73 114.786 114.786 118.981 -4.195 18269 8418 1 18 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.005 0.097 18269 8419 1 18 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.144 -1.403 18269 8420 1 18 . 1 1 73 73 VAL CB C 73 33.265 33.265 31.994 1.271 18269 8421 1 18 . 1 1 73 73 VAL H H 73 7.812 7.812 7.768 0.044 18269 8422 1 18 . 1 1 74 74 THR HA H 74 3.767 3.767 3.916 -0.148 18269 8423 1 18 . 1 1 74 74 THR CA C 74 65.584 65.584 66.304 -0.720 18269 8424 1 18 . 1 1 74 74 THR CB C 74 67.470 67.470 68.683 -1.213 18269 8425 1 18 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.130 0.116 18269 8426 1 18 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.328 1.055 18269 8427 1 18 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.536 1.084 18269 8428 1 18 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.257 0.228 18269 8429 1 18 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.787 -0.090 18269 8430 1 18 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.383 -0.488 18269 8431 1 18 . 1 1 77 77 MET N N 77 117.583 117.583 113.378 4.205 18269 8432 1 18 . 1 1 77 77 MET HA H 77 4.684 4.684 4.463 0.221 18269 8433 1 18 . 1 1 77 77 MET CA C 77 59.347 59.347 56.157 3.190 18269 8434 1 18 . 1 1 77 77 MET CB C 77 32.996 32.996 31.411 1.585 18269 8435 1 18 . 1 1 77 77 MET H H 77 7.685 7.685 8.278 -0.593 18269 8436 1 18 . 1 1 78 78 SER N N 78 114.578 114.578 114.375 0.203 18269 8437 1 18 . 1 1 78 78 SER HA H 78 4.226 4.226 4.376 -0.150 18269 8438 1 18 . 1 1 78 78 SER CA C 78 61.922 61.922 59.689 2.233 18269 8439 1 18 . 1 1 78 78 SER CB C 78 62.406 62.406 63.714 -1.308 18269 8440 1 18 . 1 1 78 78 SER H H 78 8.285 8.285 7.576 0.709 18269 8441 1 18 . 1 1 79 79 VAL N N 79 111.248 111.248 118.090 -6.842 18269 8442 1 18 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.338 0.413 18269 8443 1 18 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.540 0.586 18269 8444 1 18 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.246 -3.900 18269 8445 1 18 . 1 1 79 79 VAL H H 79 7.004 7.004 7.796 -0.792 18269 8446 1 18 . 1 1 80 80 HIS N N 80 116.703 116.703 120.111 -3.408 18269 8447 1 18 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.617 -0.501 18269 8448 1 18 . 1 1 80 80 HIS CA C 80 56.826 56.826 59.729 -2.903 18269 8449 1 18 . 1 1 80 80 HIS CB C 80 25.889 25.889 30.252 -4.363 18269 8450 1 18 . 1 1 80 80 HIS H H 80 8.289 8.289 8.610 -0.321 18269 8451 1 18 . 1 1 81 81 MET N N 81 120.978 120.978 116.034 4.944 18269 8452 1 18 . 1 1 81 81 MET HA H 81 4.512 4.512 4.397 0.115 18269 8453 1 18 . 1 1 81 81 MET CA C 81 55.007 55.007 55.711 -0.704 18269 8454 1 18 . 1 1 81 81 MET CB C 81 33.265 33.265 31.520 1.745 18269 8455 1 18 . 1 1 81 81 MET H H 81 8.006 8.006 8.345 -0.339 18269 8456 1 18 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.193 0.148 18269 8457 1 18 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.915 -1.679 18269 8458 1 18 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.916 1.747 18269 8459 1 18 . 1 1 83 83 ALA N N 83 126.545 126.545 120.192 6.353 18269 8460 1 18 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.864 0.082 18269 8461 1 18 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.877 1.095 18269 8462 1 18 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.249 1.226 18269 8463 1 18 . 1 1 83 83 ALA H H 83 9.196 9.196 7.859 1.337 18269 8464 1 18 . 1 1 84 84 MET N N 84 114.734 114.734 117.363 -2.629 18269 8465 1 18 . 1 1 84 84 MET HA H 84 4.024 4.024 4.221 -0.197 18269 8466 1 18 . 1 1 84 84 MET CA C 84 58.812 58.812 58.162 0.650 18269 8467 1 18 . 1 1 84 84 MET CB C 84 32.242 32.242 31.898 0.344 18269 8468 1 18 . 1 1 84 84 MET H H 84 9.289 9.289 7.990 1.299 18269 8469 1 18 . 1 1 85 85 LYS N N 85 116.490 116.490 119.289 -2.799 18269 8470 1 18 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.402 -0.228 18269 8471 1 18 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.544 -0.428 18269 8472 1 18 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.818 -0.025 18269 8473 1 18 . 1 1 85 85 LYS H H 85 6.997 6.997 8.376 -1.379 18269 8474 1 18 . 1 1 86 86 ILE N N 86 120.561 120.561 120.118 0.443 18269 8475 1 18 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.673 -0.058 18269 8476 1 18 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.803 1.475 18269 8477 1 18 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.631 -0.111 18269 8478 1 18 . 1 1 86 86 ILE H H 86 7.875 7.875 7.592 0.283 18269 8479 1 18 . 1 1 87 87 CYS N N 87 117.323 117.323 119.409 -2.086 18269 8480 1 18 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.115 -0.039 18269 8481 1 18 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.763 -0.703 18269 8482 1 18 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.949 16.784 18269 8483 1 18 . 1 1 87 87 CYS H H 87 8.643 8.643 7.741 0.902 18269 8484 1 18 . 1 1 88 88 GLU N N 88 118.070 118.070 119.703 -1.633 18269 8485 1 18 . 1 1 88 88 GLU HA H 88 3.948 3.948 3.991 -0.043 18269 8486 1 18 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.943 0.820 18269 8487 1 18 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.669 0.094 18269 8488 1 18 . 1 1 88 88 GLU H H 88 8.045 8.045 7.902 0.143 18269 8489 1 18 . 1 1 89 89 LYS N N 89 119.719 119.719 117.447 2.272 18269 8490 1 18 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.167 -0.029 18269 8491 1 18 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.529 0.601 18269 8492 1 18 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.462 -0.759 18269 8493 1 18 . 1 1 89 89 LYS H H 89 7.530 7.530 8.210 -0.680 18269 8494 1 18 . 1 1 90 90 LEU N N 90 119.550 119.550 121.888 -2.338 18269 8495 1 18 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.053 -0.088 18269 8496 1 18 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.397 -0.054 18269 8497 1 18 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.725 -0.734 18269 8498 1 18 . 1 1 90 90 LEU H H 90 8.422 8.422 8.194 0.228 18269 8499 1 18 . 1 1 91 91 LYS N N 91 119.180 119.180 117.806 1.374 18269 8500 1 18 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.302 -0.440 18269 8501 1 18 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.817 -0.212 18269 8502 1 18 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.032 0.445 18269 8503 1 18 . 1 1 91 91 LYS H H 91 8.218 8.218 7.637 0.581 18269 8504 1 18 . 1 1 92 92 LYS N N 92 113.632 113.632 116.813 -3.181 18269 8505 1 18 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.201 -0.148 18269 8506 1 18 . 1 1 92 92 LYS CA C 92 57.558 57.558 57.000 0.558 18269 8507 1 18 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.254 -0.320 18269 8508 1 18 . 1 1 92 92 LYS H H 92 6.984 6.984 7.425 -0.441 18269 8509 1 18 . 1 1 93 93 LEU N N 93 119.104 119.104 118.816 0.288 18269 8510 1 18 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.395 -0.105 18269 8511 1 18 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.078 0.026 18269 8512 1 18 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.671 -1.569 18269 8513 1 18 . 1 1 93 93 LEU H H 93 7.456 7.456 7.702 -0.246 18269 8514 1 18 . 1 1 94 94 ASP N N 94 116.790 116.790 119.046 -2.256 18269 8515 1 18 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.811 -0.255 18269 8516 1 18 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.632 0.734 18269 8517 1 18 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.389 -1.216 18269 8518 1 18 . 1 1 94 94 ASP H H 94 7.911 7.911 8.341 -0.430 18269 8519 1 18 . 1 1 95 95 SER N N 95 122.399 122.399 121.697 0.702 18269 8520 1 18 . 1 1 95 95 SER HA H 95 4.186 4.186 4.334 -0.148 18269 8521 1 18 . 1 1 95 95 SER CA C 95 61.472 61.472 60.669 0.803 18269 8522 1 18 . 1 1 95 95 SER CB C 95 62.568 62.568 63.558 -0.990 18269 8523 1 18 . 1 1 95 95 SER H H 95 8.894 8.894 8.828 0.066 18269 8524 1 18 . 1 1 96 96 GLN N N 96 120.800 120.800 121.942 -1.142 18269 8525 1 18 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.107 -0.245 18269 8526 1 18 . 1 1 96 96 GLN CA C 96 58.151 58.151 58.068 0.083 18269 8527 1 18 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.574 -0.157 18269 8528 1 18 . 1 1 96 96 GLN H H 96 8.610 8.610 7.837 0.773 18269 8529 1 18 . 1 1 97 97 ILE N N 97 117.387 117.387 119.467 -2.080 18269 8530 1 18 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.426 -0.027 18269 8531 1 18 . 1 1 97 97 ILE CA C 97 65.831 65.831 65.043 0.787 18269 8532 1 18 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.828 0.446 18269 8533 1 18 . 1 1 97 97 ILE H H 97 7.470 7.470 8.539 -1.069 18269 8534 1 18 . 1 1 98 98 CYS N N 98 113.485 113.485 119.000 -5.515 18269 8535 1 18 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.232 0.839 18269 8536 1 18 . 1 1 98 98 CYS CA C 98 61.973 61.973 60.494 1.479 18269 8537 1 18 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.064 21.522 18269 8538 1 18 . 1 1 98 98 CYS H H 98 7.410 7.410 7.398 0.012 18269 8539 1 18 . 1 1 99 99 GLU N N 99 119.123 119.123 118.264 0.859 18269 8540 1 18 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.458 -0.135 18269 8541 1 18 . 1 1 99 99 GLU CA C 99 56.726 56.726 55.210 1.516 18269 8542 1 18 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.311 1.668 18269 8543 1 18 . 1 1 99 99 GLU H H 99 7.308 7.308 7.870 -0.562 18269 8544 1 18 . 1 1 100 100 LEU N N 100 115.771 115.771 123.195 -7.424 18269 8545 1 18 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.178 0.118 18269 8546 1 18 . 1 1 100 100 LEU CA C 100 55.682 55.682 53.490 2.192 18269 8547 1 18 . 1 1 100 100 LEU CB C 100 42.961 42.961 40.847 2.114 18269 8548 1 18 . 1 1 100 100 LEU H H 100 6.496 6.496 7.450 -0.954 18269 8549 1 18 . 1 1 101 101 LYS N N 101 125.672 125.672 120.192 5.480 18269 8550 1 18 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.872 0.722 18269 8551 1 18 . 1 1 101 101 LYS CA C 101 55.350 55.350 55.414 -0.064 18269 8552 1 18 . 1 1 101 101 LYS CB C 101 35.723 35.723 32.328 3.395 18269 8553 1 18 . 1 1 101 101 LYS H H 101 8.575 8.575 7.245 1.330 18269 8554 1 18 . 1 1 102 102 TYR N N 102 120.395 120.395 122.217 -1.822 18269 8555 1 18 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.227 0.155 18269 8556 1 18 . 1 1 102 102 TYR CA C 102 60.024 60.024 59.749 0.275 18269 8557 1 18 . 1 1 102 102 TYR CB C 102 38.328 38.328 37.769 0.559 18269 8558 1 18 . 1 1 102 102 TYR H H 102 8.756 8.756 8.311 0.445 18269 8559 1 18 . 1 1 103 103 GLU N N 103 121.550 121.550 119.138 2.412 18269 8560 1 18 . 1 1 103 103 GLU HA H 103 4.392 4.392 3.978 0.414 18269 8561 1 18 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.358 -1.031 18269 8562 1 18 . 1 1 103 103 GLU CB C 103 30.302 30.302 27.454 2.848 18269 8563 1 18 . 1 1 103 103 GLU H H 103 8.835 8.835 8.806 0.029 18269 8564 1 18 . 1 1 104 104 LYS N N 104 122.957 122.957 120.865 2.092 18269 8565 1 18 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.275 0.186 18269 8566 1 18 . 1 1 104 104 LYS CA C 104 56.274 56.274 55.842 0.432 18269 8567 1 18 . 1 1 104 104 LYS CB C 104 33.047 33.047 30.910 2.137 18269 8568 1 18 . 1 1 104 104 LYS H H 104 8.490 8.490 7.913 0.577 18269 8569 1 19 . 1 1 2 2 GLU N N 2 121.590 121.590 123.034 -1.444 18269 8570 1 19 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.644 -0.350 18269 8571 1 19 . 1 1 2 2 GLU CA C 2 56.517 56.517 56.041 0.476 18269 8572 1 19 . 1 1 2 2 GLU CB C 2 30.151 30.151 32.965 -2.814 18269 8573 1 19 . 1 1 2 2 GLU H H 2 8.621 8.621 8.544 0.076 18269 8574 1 19 . 1 1 3 3 ALA N N 3 125.815 125.815 124.434 1.381 18269 8575 1 19 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.586 -0.220 18269 8576 1 19 . 1 1 3 3 ALA CA C 3 52.657 52.657 51.800 0.857 18269 8577 1 19 . 1 1 3 3 ALA CB C 3 18.947 18.947 20.977 -2.030 18269 8578 1 19 . 1 1 3 3 ALA H H 3 8.598 8.598 8.344 0.254 18269 8579 1 19 . 1 1 4 4 GLY N N 4 108.386 108.386 106.962 1.424 18269 8580 1 19 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.055 0.082 18269 8581 1 19 . 1 1 4 4 GLY H H 4 8.487 8.487 8.432 0.055 18269 8582 1 19 . 1 1 5 5 GLY N N 5 108.367 108.367 109.507 -1.140 18269 8583 1 19 . 1 1 5 5 GLY CA C 5 44.754 44.754 45.626 -0.872 18269 8584 1 19 . 1 1 5 5 GLY H H 5 8.274 8.274 8.560 -0.286 18269 8585 1 19 . 1 1 6 6 ARG N N 6 121.577 121.577 121.536 0.041 18269 8586 1 19 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.772 -0.097 18269 8587 1 19 . 1 1 6 6 ARG CA C 6 53.881 53.881 52.366 1.515 18269 8588 1 19 . 1 1 6 6 ARG CB C 6 30.135 30.135 31.048 -0.913 18269 8589 1 19 . 1 1 6 6 ARG H H 6 8.297 8.297 7.966 0.331 18269 8590 1 19 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.661 -0.170 18269 8591 1 19 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.684 0.669 18269 8592 1 19 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.936 1.111 18269 8593 1 19 . 1 1 8 8 GLY N N 8 109.658 109.658 108.334 1.324 18269 8594 1 19 . 1 1 8 8 GLY CA C 8 45.088 45.088 46.496 -1.408 18269 8595 1 19 . 1 1 8 8 GLY H H 8 8.660 8.660 8.190 0.470 18269 8596 1 19 . 1 1 9 9 ALA N N 9 123.995 123.995 119.351 4.644 18269 8597 1 19 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.324 0.116 18269 8598 1 19 . 1 1 9 9 ALA CA C 9 51.797 51.797 53.266 -1.469 18269 8599 1 19 . 1 1 9 9 ALA CB C 9 19.279 19.279 18.587 0.692 18269 8600 1 19 . 1 1 9 9 ALA H H 9 8.200 8.200 8.034 0.166 18269 8601 1 19 . 1 1 10 10 ASP N N 10 119.834 119.834 117.984 1.850 18269 8602 1 19 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.673 -0.016 18269 8603 1 19 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.430 0.110 18269 8604 1 19 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.167 -0.661 18269 8605 1 19 . 1 1 10 10 ASP H H 10 8.290 8.290 8.175 0.115 18269 8606 1 19 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.811 -0.181 18269 8607 1 19 . 1 1 11 11 CYS CA C 11 54.758 54.758 57.453 -2.695 18269 8608 1 19 . 1 1 11 11 CYS CB C 11 40.460 40.460 29.065 11.395 18269 8609 1 19 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.988 -0.024 18269 8610 1 19 . 1 1 12 12 GLU CA C 12 61.377 61.377 60.210 1.167 18269 8611 1 19 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.709 1.546 18269 8612 1 19 . 1 1 13 13 VAL N N 13 117.224 117.224 119.491 -2.267 18269 8613 1 19 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.654 0.092 18269 8614 1 19 . 1 1 13 13 VAL CA C 13 65.046 65.046 65.787 -0.741 18269 8615 1 19 . 1 1 13 13 VAL CB C 13 31.218 31.218 30.863 0.355 18269 8616 1 19 . 1 1 13 13 VAL H H 13 7.040 7.040 8.230 -1.190 18269 8617 1 19 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.099 -0.014 18269 8618 1 19 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.610 -1.165 18269 8619 1 19 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.818 15.401 18269 8620 1 19 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.026 0.033 18269 8621 1 19 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.574 -2.003 18269 8622 1 19 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.886 0.364 18269 8623 1 19 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.268 0.063 18269 8624 1 19 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.388 -0.214 18269 8625 1 19 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.187 0.219 18269 8626 1 19 . 1 1 16 16 GLU H H 16 8.098 8.098 8.737 -0.639 18269 8627 1 19 . 1 1 17 17 PHE N N 17 120.745 120.745 121.613 -0.868 18269 8628 1 19 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.408 -0.093 18269 8629 1 19 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.775 0.739 18269 8630 1 19 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.224 1.289 18269 8631 1 19 . 1 1 17 17 PHE H H 17 9.126 9.126 8.137 0.989 18269 8632 1 19 . 1 1 18 18 LEU N N 18 115.787 115.787 119.725 -3.938 18269 8633 1 19 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.660 0.483 18269 8634 1 19 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.263 -0.386 18269 8635 1 19 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.231 -0.279 18269 8636 1 19 . 1 1 18 18 LEU H H 18 8.505 8.505 7.954 0.551 18269 8637 1 19 . 1 1 19 19 ASN N N 19 117.635 117.635 117.914 -0.279 18269 8638 1 19 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.335 0.541 18269 8639 1 19 . 1 1 19 19 ASN CA C 19 56.474 56.474 57.162 -0.688 18269 8640 1 19 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.415 -0.087 18269 8641 1 19 . 1 1 19 19 ASN H H 19 8.405 8.405 8.713 -0.308 18269 8642 1 19 . 1 1 20 20 ARG N N 20 122.851 122.851 119.809 3.042 18269 8643 1 19 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.261 -0.144 18269 8644 1 19 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.362 0.927 18269 8645 1 19 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.220 0.235 18269 8646 1 19 . 1 1 20 20 ARG H H 20 8.325 8.325 8.213 0.112 18269 8647 1 19 . 1 1 21 21 PHE N N 21 121.774 121.774 121.469 0.305 18269 8648 1 19 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.349 -0.069 18269 8649 1 19 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.911 -1.900 18269 8650 1 19 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.292 -0.281 18269 8651 1 19 . 1 1 21 21 PHE H H 21 8.438 8.438 7.758 0.680 18269 8652 1 19 . 1 1 22 22 TYR N N 22 119.937 119.937 120.534 -0.597 18269 8653 1 19 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.896 -0.107 18269 8654 1 19 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.438 0.214 18269 8655 1 19 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.421 -0.147 18269 8656 1 19 . 1 1 22 22 TYR H H 22 8.708 8.708 8.704 0.004 18269 8657 1 19 . 1 1 23 23 LYS N N 23 116.431 116.431 117.245 -0.814 18269 8658 1 19 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.869 -0.010 18269 8659 1 19 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.604 0.539 18269 8660 1 19 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.886 0.331 18269 8661 1 19 . 1 1 23 23 LYS H H 23 7.928 7.928 7.699 0.229 18269 8662 1 19 . 1 1 24 24 SER N N 24 113.888 113.888 117.873 -3.985 18269 8663 1 19 . 1 1 24 24 SER HA H 24 4.325 4.325 4.126 0.199 18269 8664 1 19 . 1 1 24 24 SER CA C 24 61.016 61.016 62.048 -1.032 18269 8665 1 19 . 1 1 24 24 SER CB C 24 62.837 62.837 62.855 -0.018 18269 8666 1 19 . 1 1 24 24 SER H H 24 7.665 7.665 8.185 -0.520 18269 8667 1 19 . 1 1 25 25 LEU N N 25 119.663 119.663 122.330 -2.667 18269 8668 1 19 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.777 -0.098 18269 8669 1 19 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.956 -0.451 18269 8670 1 19 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.372 0.530 18269 8671 1 19 . 1 1 25 25 LEU H H 25 7.573 7.573 8.101 -0.528 18269 8672 1 19 . 1 1 26 26 ILE N N 26 119.781 119.781 117.827 1.954 18269 8673 1 19 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.637 0.219 18269 8674 1 19 . 1 1 26 26 ILE CA C 26 63.549 63.549 62.767 0.782 18269 8675 1 19 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.624 0.681 18269 8676 1 19 . 1 1 26 26 ILE H H 26 8.094 8.094 7.173 0.921 18269 8677 1 19 . 1 1 27 27 ASP N N 27 122.421 122.421 121.108 1.313 18269 8678 1 19 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.326 0.050 18269 8679 1 19 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.815 0.205 18269 8680 1 19 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.020 -0.940 18269 8681 1 19 . 1 1 27 27 ASP H H 27 9.091 9.091 8.064 1.027 18269 8682 1 19 . 1 1 28 28 ARG N N 28 115.349 115.349 117.215 -1.866 18269 8683 1 19 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.207 0.098 18269 8684 1 19 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.989 -0.491 18269 8685 1 19 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.835 0.778 18269 8686 1 19 . 1 1 28 28 ARG H H 28 7.587 7.587 8.148 -0.561 18269 8687 1 19 . 1 1 29 29 GLY N N 29 109.999 109.999 106.283 3.716 18269 8688 1 19 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.015 1.646 18269 8689 1 19 . 1 1 29 29 GLY H H 29 7.909 7.909 7.818 0.091 18269 8690 1 19 . 1 1 30 30 VAL N N 30 118.740 118.740 121.921 -3.181 18269 8691 1 19 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.103 -0.344 18269 8692 1 19 . 1 1 30 30 VAL CA C 30 62.470 62.470 62.413 0.057 18269 8693 1 19 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.102 0.224 18269 8694 1 19 . 1 1 30 30 VAL H H 30 7.701 7.701 7.359 0.342 18269 8695 1 19 . 1 1 31 31 ASN N N 31 123.250 123.250 124.438 -1.188 18269 8696 1 19 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.688 0.025 18269 8697 1 19 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.501 0.987 18269 8698 1 19 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.645 -0.434 18269 8699 1 19 . 1 1 31 31 ASN H H 31 8.498 8.498 8.134 0.364 18269 8700 1 19 . 1 1 32 32 PHE N N 32 126.076 126.076 115.583 10.493 18269 8701 1 19 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.100 0.038 18269 8702 1 19 . 1 1 32 32 PHE CA C 32 58.647 58.647 60.895 -2.248 18269 8703 1 19 . 1 1 32 32 PHE CB C 32 36.779 36.779 37.901 -1.121 18269 8704 1 19 . 1 1 32 32 PHE H H 32 8.783 8.783 8.614 0.169 18269 8705 1 19 . 1 1 33 33 SER N N 33 115.958 115.958 118.032 -2.074 18269 8706 1 19 . 1 1 33 33 SER HA H 33 4.736 4.736 4.447 0.289 18269 8707 1 19 . 1 1 33 33 SER CA C 33 56.745 56.745 59.181 -2.436 18269 8708 1 19 . 1 1 33 33 SER CB C 33 64.899 64.899 63.409 1.490 18269 8709 1 19 . 1 1 33 33 SER H H 33 7.699 7.699 8.337 -0.638 18269 8710 1 19 . 1 1 34 34 LEU N N 34 124.359 124.359 128.595 -4.236 18269 8711 1 19 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.102 -0.249 18269 8712 1 19 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.423 1.248 18269 8713 1 19 . 1 1 34 34 LEU CB C 34 41.546 41.546 40.884 0.662 18269 8714 1 19 . 1 1 34 34 LEU H H 34 8.935 8.935 8.925 0.010 18269 8715 1 19 . 1 1 35 35 ASP N N 35 115.345 115.345 117.297 -1.952 18269 8716 1 19 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.397 -0.019 18269 8717 1 19 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.866 -1.008 18269 8718 1 19 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.816 -0.656 18269 8719 1 19 . 1 1 35 35 ASP H H 35 8.575 8.575 8.794 -0.219 18269 8720 1 19 . 1 1 36 36 THR N N 36 116.789 116.789 117.260 -0.471 18269 8721 1 19 . 1 1 36 36 THR HA H 36 4.015 4.015 4.250 -0.235 18269 8722 1 19 . 1 1 36 36 THR CA C 36 66.069 66.069 66.395 -0.327 18269 8723 1 19 . 1 1 36 36 THR CB C 36 68.780 68.780 68.930 -0.150 18269 8724 1 19 . 1 1 36 36 THR H H 36 7.593 7.593 7.431 0.162 18269 8725 1 19 . 1 1 37 37 ILE N N 37 120.685 120.685 122.052 -1.367 18269 8726 1 19 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.736 -0.367 18269 8727 1 19 . 1 1 37 37 ILE CA C 37 65.800 65.800 65.987 -0.187 18269 8728 1 19 . 1 1 37 37 ILE CB C 37 37.091 37.091 37.547 -0.456 18269 8729 1 19 . 1 1 37 37 ILE H H 37 8.436 8.436 8.710 -0.274 18269 8730 1 19 . 1 1 38 38 GLU N N 38 118.792 118.792 120.357 -1.565 18269 8731 1 19 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.970 -0.292 18269 8732 1 19 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.781 1.280 18269 8733 1 19 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.575 0.296 18269 8734 1 19 . 1 1 38 38 GLU H H 38 8.122 8.122 8.388 -0.266 18269 8735 1 19 . 1 1 39 39 LYS N N 39 116.986 116.986 120.156 -3.170 18269 8736 1 19 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.046 -0.085 18269 8737 1 19 . 1 1 39 39 LYS CA C 39 59.746 59.746 59.308 0.438 18269 8738 1 19 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.187 0.123 18269 8739 1 19 . 1 1 39 39 LYS H H 39 7.586 7.586 7.893 -0.307 18269 8740 1 19 . 1 1 40 40 GLU N N 40 117.892 117.892 119.452 -1.560 18269 8741 1 19 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.253 -0.048 18269 8742 1 19 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.268 -0.909 18269 8743 1 19 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.613 -1.034 18269 8744 1 19 . 1 1 40 40 GLU H H 40 8.690 8.690 8.169 0.521 18269 8745 1 19 . 1 1 41 41 LEU N N 41 125.830 125.830 120.993 4.837 18269 8746 1 19 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.684 -0.137 18269 8747 1 19 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.171 -0.343 18269 8748 1 19 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.638 -1.300 18269 8749 1 19 . 1 1 41 41 LEU H H 41 8.978 8.978 8.440 0.538 18269 8750 1 19 . 1 1 42 42 ILE N N 42 119.900 119.900 119.972 -0.072 18269 8751 1 19 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.618 -0.034 18269 8752 1 19 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.329 0.504 18269 8753 1 19 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.895 -0.105 18269 8754 1 19 . 1 1 42 42 ILE H H 42 7.884 7.884 8.038 -0.154 18269 8755 1 19 . 1 1 43 43 SER N N 43 114.071 114.071 116.165 -2.094 18269 8756 1 19 . 1 1 43 43 SER HA H 43 4.277 4.277 4.151 0.126 18269 8757 1 19 . 1 1 43 43 SER CA C 43 61.598 61.598 62.417 -0.819 18269 8758 1 19 . 1 1 43 43 SER CB C 43 62.767 62.767 63.289 -0.522 18269 8759 1 19 . 1 1 43 43 SER H H 43 7.791 7.791 8.329 -0.538 18269 8760 1 19 . 1 1 44 44 PHE N N 44 125.036 125.036 123.246 1.790 18269 8761 1 19 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.400 -0.071 18269 8762 1 19 . 1 1 44 44 PHE CA C 44 61.257 61.257 62.222 -0.965 18269 8763 1 19 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.324 1.307 18269 8764 1 19 . 1 1 44 44 PHE H H 44 9.060 9.060 8.964 0.096 18269 8765 1 19 . 1 1 45 45 CYS N N 45 112.824 112.824 118.616 -5.792 18269 8766 1 19 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.367 0.239 18269 8767 1 19 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.809 -3.573 18269 8768 1 19 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.996 16.627 18269 8769 1 19 . 1 1 45 45 CYS H H 45 8.254 8.254 8.555 -0.301 18269 8770 1 19 . 1 1 46 46 LEU N N 46 123.875 123.875 118.074 5.801 18269 8771 1 19 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.211 -0.036 18269 8772 1 19 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.756 1.395 18269 8773 1 19 . 1 1 46 46 LEU CB C 46 42.252 42.252 42.230 0.022 18269 8774 1 19 . 1 1 46 46 LEU H H 46 7.776 7.776 7.759 0.017 18269 8775 1 19 . 1 1 47 47 ASP N N 47 116.880 116.880 118.699 -1.819 18269 8776 1 19 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.597 0.313 18269 8777 1 19 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.178 -0.593 18269 8778 1 19 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.881 0.494 18269 8779 1 19 . 1 1 47 47 ASP H H 47 7.852 7.852 8.106 -0.254 18269 8780 1 19 . 1 1 48 48 THR N N 48 108.053 108.053 115.183 -7.130 18269 8781 1 19 . 1 1 48 48 THR HA H 48 4.461 4.461 4.405 0.056 18269 8782 1 19 . 1 1 48 48 THR CA C 48 60.844 60.844 60.759 0.085 18269 8783 1 19 . 1 1 48 48 THR CB C 48 73.395 73.395 71.153 2.242 18269 8784 1 19 . 1 1 48 48 THR H H 48 7.139 7.139 7.695 -0.556 18269 8785 1 19 . 1 1 49 49 LYS N N 49 118.308 118.308 119.793 -1.485 18269 8786 1 19 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.602 0.116 18269 8787 1 19 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.331 -0.288 18269 8788 1 19 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.164 3.406 18269 8789 1 19 . 1 1 49 49 LYS H H 49 8.755 8.755 8.944 -0.189 18269 8790 1 19 . 1 1 50 50 GLY N N 50 108.996 108.996 110.420 -1.424 18269 8791 1 19 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.921 -1.078 18269 8792 1 19 . 1 1 50 50 GLY H H 50 8.866 8.866 8.668 0.198 18269 8793 1 19 . 1 1 51 51 LYS N N 51 126.155 126.155 121.102 5.053 18269 8794 1 19 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.111 -0.141 18269 8795 1 19 . 1 1 51 51 LYS CA C 51 58.110 58.110 58.849 -0.739 18269 8796 1 19 . 1 1 51 51 LYS CB C 51 32.619 32.619 31.863 0.756 18269 8797 1 19 . 1 1 51 51 LYS H H 51 9.254 9.254 8.797 0.457 18269 8798 1 19 . 1 1 52 52 GLU N N 52 116.496 116.496 119.736 -3.240 18269 8799 1 19 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.039 -0.516 18269 8800 1 19 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.690 -0.300 18269 8801 1 19 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.864 -1.178 18269 8802 1 19 . 1 1 52 52 GLU H H 52 8.223 8.223 8.015 0.208 18269 8803 1 19 . 1 1 53 53 ASN N N 53 119.000 119.000 118.845 0.155 18269 8804 1 19 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.704 -0.320 18269 8805 1 19 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.687 1.291 18269 8806 1 19 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.608 0.838 18269 8807 1 19 . 1 1 53 53 ASN H H 53 6.840 6.840 8.686 -1.846 18269 8808 1 19 . 1 1 54 54 ARG N N 54 118.480 118.480 119.459 -0.979 18269 8809 1 19 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.399 -0.630 18269 8810 1 19 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.062 -0.665 18269 8811 1 19 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.087 -1.347 18269 8812 1 19 . 1 1 54 54 ARG H H 54 7.456 7.456 8.355 -0.899 18269 8813 1 19 . 1 1 55 55 LEU N N 55 118.688 118.688 121.448 -2.760 18269 8814 1 19 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.314 -0.506 18269 8815 1 19 . 1 1 55 55 LEU CA C 55 58.459 58.459 57.907 0.552 18269 8816 1 19 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.951 -1.831 18269 8817 1 19 . 1 1 55 55 LEU H H 55 7.843 7.843 7.665 0.178 18269 8818 1 19 . 1 1 56 56 CYS N N 56 115.905 115.905 116.720 -0.815 18269 8819 1 19 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.938 -0.065 18269 8820 1 19 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.689 1.348 18269 8821 1 19 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.494 17.411 18269 8822 1 19 . 1 1 56 56 CYS H H 56 7.752 7.752 7.857 -0.105 18269 8823 1 19 . 1 1 57 57 TYR N N 57 121.810 121.810 119.482 2.328 18269 8824 1 19 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.022 0.121 18269 8825 1 19 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.549 -0.234 18269 8826 1 19 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.691 -0.637 18269 8827 1 19 . 1 1 57 57 TYR H H 57 7.911 7.911 7.605 0.306 18269 8828 1 19 . 1 1 58 58 TYR N N 58 121.916 121.916 116.771 5.145 18269 8829 1 19 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.370 0.005 18269 8830 1 19 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.480 -1.472 18269 8831 1 19 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.356 -0.332 18269 8832 1 19 . 1 1 58 58 TYR H H 58 8.334 8.334 7.583 0.751 18269 8833 1 19 . 1 1 59 59 LEU N N 59 114.461 114.461 117.083 -2.622 18269 8834 1 19 . 1 1 59 59 LEU HA H 59 4.120 4.120 3.906 0.214 18269 8835 1 19 . 1 1 59 59 LEU CA C 59 55.229 55.229 56.646 -1.417 18269 8836 1 19 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.343 -0.298 18269 8837 1 19 . 1 1 59 59 LEU H H 59 8.079 8.079 7.945 0.134 18269 8838 1 19 . 1 1 60 60 GLY N N 60 102.559 102.559 103.847 -1.288 18269 8839 1 19 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.237 0.335 18269 8840 1 19 . 1 1 60 60 GLY H H 60 7.562 7.562 8.043 -0.481 18269 8841 1 19 . 1 1 61 61 ALA N N 61 120.327 120.327 126.753 -6.426 18269 8842 1 19 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.315 0.086 18269 8843 1 19 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.779 -0.514 18269 8844 1 19 . 1 1 61 61 ALA CB C 61 20.337 20.337 17.589 2.748 18269 8845 1 19 . 1 1 61 61 ALA H H 61 7.995 7.995 7.798 0.197 18269 8846 1 19 . 1 1 62 62 THR N N 62 106.895 106.895 116.643 -9.748 18269 8847 1 19 . 1 1 62 62 THR HA H 62 4.518 4.518 4.330 0.188 18269 8848 1 19 . 1 1 62 62 THR CA C 62 59.982 59.982 61.160 -1.179 18269 8849 1 19 . 1 1 62 62 THR CB C 62 70.540 70.540 71.659 -1.119 18269 8850 1 19 . 1 1 62 62 THR H H 62 7.156 7.156 7.957 -0.801 18269 8851 1 19 . 1 1 63 63 LYS N N 63 121.251 121.251 123.547 -2.296 18269 8852 1 19 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.223 -0.126 18269 8853 1 19 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.718 0.555 18269 8854 1 19 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.137 0.018 18269 8855 1 19 . 1 1 63 63 LYS H H 63 8.626 8.626 8.707 -0.081 18269 8856 1 19 . 1 1 64 64 ASP N N 64 116.607 116.607 118.004 -1.397 18269 8857 1 19 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.726 -0.169 18269 8858 1 19 . 1 1 64 64 ASP CA C 64 53.902 53.902 53.950 -0.048 18269 8859 1 19 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.323 -1.217 18269 8860 1 19 . 1 1 64 64 ASP H H 64 8.441 8.441 7.925 0.516 18269 8861 1 19 . 1 1 65 65 ALA N N 65 122.486 122.486 121.620 0.866 18269 8862 1 19 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.593 -0.508 18269 8863 1 19 . 1 1 65 65 ALA CA C 65 52.549 52.549 50.559 1.990 18269 8864 1 19 . 1 1 65 65 ALA CB C 65 19.557 19.557 22.181 -2.624 18269 8865 1 19 . 1 1 65 65 ALA H H 65 7.368 7.368 7.392 -0.024 18269 8866 1 19 . 1 1 66 66 ALA N N 66 124.171 124.171 122.239 1.932 18269 8867 1 19 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.499 -0.055 18269 8868 1 19 . 1 1 66 66 ALA CA C 66 52.471 52.471 51.749 0.722 18269 8869 1 19 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.972 0.293 18269 8870 1 19 . 1 1 66 66 ALA H H 66 8.300 8.300 8.680 -0.380 18269 8871 1 19 . 1 1 67 67 THR N N 67 111.638 111.638 118.721 -7.083 18269 8872 1 19 . 1 1 67 67 THR HA H 67 4.496 4.496 4.110 0.386 18269 8873 1 19 . 1 1 67 67 THR CA C 67 60.881 60.881 64.221 -3.340 18269 8874 1 19 . 1 1 67 67 THR CB C 67 70.199 70.199 68.976 1.223 18269 8875 1 19 . 1 1 67 67 THR H H 67 7.730 7.730 8.725 -0.995 18269 8876 1 19 . 1 1 68 68 LYS N N 68 121.732 121.732 122.581 -0.849 18269 8877 1 19 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.035 0.501 18269 8878 1 19 . 1 1 68 68 LYS CA C 68 56.562 56.562 60.028 -3.466 18269 8879 1 19 . 1 1 68 68 LYS CB C 68 33.099 33.099 31.993 1.106 18269 8880 1 19 . 1 1 68 68 LYS H H 68 8.502 8.502 8.182 0.320 18269 8881 1 19 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.908 0.431 18269 8882 1 19 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.283 -1.577 18269 8883 1 19 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.853 -0.054 18269 8884 1 19 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.016 0.115 18269 8885 1 19 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.593 1.024 18269 8886 1 19 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.413 0.325 18269 8887 1 19 . 1 1 71 71 SER HA H 71 4.817 4.817 4.409 0.408 18269 8888 1 19 . 1 1 71 71 SER CA C 71 60.667 60.667 61.347 -0.680 18269 8889 1 19 . 1 1 71 71 SER CB C 71 62.646 62.646 62.526 0.120 18269 8890 1 19 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.146 0.118 18269 8891 1 19 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.412 -1.783 18269 8892 1 19 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.338 -1.091 18269 8893 1 19 . 1 1 73 73 VAL N N 73 114.786 114.786 116.831 -2.045 18269 8894 1 19 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.051 0.051 18269 8895 1 19 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.193 -1.452 18269 8896 1 19 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.471 0.794 18269 8897 1 19 . 1 1 73 73 VAL H H 73 7.812 7.812 7.585 0.227 18269 8898 1 19 . 1 1 74 74 THR HA H 74 3.767 3.767 3.992 -0.225 18269 8899 1 19 . 1 1 74 74 THR CA C 74 65.584 65.584 66.089 -0.505 18269 8900 1 19 . 1 1 74 74 THR CB C 74 67.470 67.470 68.482 -1.012 18269 8901 1 19 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.174 0.072 18269 8902 1 19 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.355 1.028 18269 8903 1 19 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.564 1.056 18269 8904 1 19 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.243 0.242 18269 8905 1 19 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.767 -0.070 18269 8906 1 19 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.345 -0.450 18269 8907 1 19 . 1 1 77 77 MET N N 77 117.583 117.583 113.247 4.336 18269 8908 1 19 . 1 1 77 77 MET HA H 77 4.684 4.684 4.468 0.216 18269 8909 1 19 . 1 1 77 77 MET CA C 77 59.347 59.347 56.260 3.087 18269 8910 1 19 . 1 1 77 77 MET CB C 77 32.996 32.996 31.323 1.673 18269 8911 1 19 . 1 1 77 77 MET H H 77 7.685 7.685 8.179 -0.494 18269 8912 1 19 . 1 1 78 78 SER N N 78 114.578 114.578 114.140 0.438 18269 8913 1 19 . 1 1 78 78 SER HA H 78 4.226 4.226 4.211 0.015 18269 8914 1 19 . 1 1 78 78 SER CA C 78 61.922 61.922 60.001 1.921 18269 8915 1 19 . 1 1 78 78 SER CB C 78 62.406 62.406 63.914 -1.508 18269 8916 1 19 . 1 1 78 78 SER H H 78 8.285 8.285 7.680 0.605 18269 8917 1 19 . 1 1 79 79 VAL N N 79 111.248 111.248 117.966 -6.718 18269 8918 1 19 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.201 0.550 18269 8919 1 19 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.832 0.294 18269 8920 1 19 . 1 1 79 79 VAL CB C 79 30.346 30.346 33.059 -2.712 18269 8921 1 19 . 1 1 79 79 VAL H H 79 7.004 7.004 7.609 -0.605 18269 8922 1 19 . 1 1 80 80 HIS N N 80 116.703 116.703 119.576 -2.873 18269 8923 1 19 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.549 -0.433 18269 8924 1 19 . 1 1 80 80 HIS CA C 80 56.826 56.826 59.946 -3.119 18269 8925 1 19 . 1 1 80 80 HIS CB C 80 25.889 25.889 30.223 -4.334 18269 8926 1 19 . 1 1 80 80 HIS H H 80 8.289 8.289 8.503 -0.214 18269 8927 1 19 . 1 1 81 81 MET N N 81 120.978 120.978 115.437 5.541 18269 8928 1 19 . 1 1 81 81 MET HA H 81 4.512 4.512 4.351 0.161 18269 8929 1 19 . 1 1 81 81 MET CA C 81 55.007 55.007 55.874 -0.867 18269 8930 1 19 . 1 1 81 81 MET CB C 81 33.265 33.265 30.762 2.503 18269 8931 1 19 . 1 1 81 81 MET H H 81 8.006 8.006 8.365 -0.359 18269 8932 1 19 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.187 0.154 18269 8933 1 19 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.907 -1.671 18269 8934 1 19 . 1 1 82 82 PRO CB C 82 32.663 32.663 31.027 1.636 18269 8935 1 19 . 1 1 83 83 ALA N N 83 126.545 126.545 119.890 6.655 18269 8936 1 19 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.846 0.100 18269 8937 1 19 . 1 1 83 83 ALA CA C 83 55.973 55.973 54.615 1.358 18269 8938 1 19 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.080 1.395 18269 8939 1 19 . 1 1 83 83 ALA H H 83 9.196 9.196 7.916 1.280 18269 8940 1 19 . 1 1 84 84 MET N N 84 114.734 114.734 116.647 -1.913 18269 8941 1 19 . 1 1 84 84 MET HA H 84 4.024 4.024 4.356 -0.332 18269 8942 1 19 . 1 1 84 84 MET CA C 84 58.812 58.812 58.613 0.199 18269 8943 1 19 . 1 1 84 84 MET CB C 84 32.242 32.242 32.624 -0.382 18269 8944 1 19 . 1 1 84 84 MET H H 84 9.289 9.289 7.784 1.505 18269 8945 1 19 . 1 1 85 85 LYS N N 85 116.490 116.490 118.340 -1.850 18269 8946 1 19 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.127 0.047 18269 8947 1 19 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.677 -0.561 18269 8948 1 19 . 1 1 85 85 LYS CB C 85 31.793 31.793 31.376 0.417 18269 8949 1 19 . 1 1 85 85 LYS H H 85 6.997 6.997 8.058 -1.061 18269 8950 1 19 . 1 1 86 86 ILE N N 86 120.561 120.561 120.694 -0.133 18269 8951 1 19 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.637 -0.022 18269 8952 1 19 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.004 1.274 18269 8953 1 19 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.556 -0.036 18269 8954 1 19 . 1 1 86 86 ILE H H 86 7.875 7.875 7.855 0.020 18269 8955 1 19 . 1 1 87 87 CYS N N 87 117.323 117.323 118.096 -0.773 18269 8956 1 19 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.158 -0.082 18269 8957 1 19 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.700 -0.640 18269 8958 1 19 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.653 17.080 18269 8959 1 19 . 1 1 87 87 CYS H H 87 8.643 8.643 7.849 0.794 18269 8960 1 19 . 1 1 88 88 GLU N N 88 118.070 118.070 120.818 -2.748 18269 8961 1 19 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.043 -0.095 18269 8962 1 19 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.224 0.540 18269 8963 1 19 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.294 0.470 18269 8964 1 19 . 1 1 88 88 GLU H H 88 8.045 8.045 8.117 -0.072 18269 8965 1 19 . 1 1 89 89 LYS N N 89 119.719 119.719 118.473 1.246 18269 8966 1 19 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.094 0.044 18269 8967 1 19 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.817 0.313 18269 8968 1 19 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.299 -0.596 18269 8969 1 19 . 1 1 89 89 LYS H H 89 7.530 7.530 8.105 -0.575 18269 8970 1 19 . 1 1 90 90 LEU N N 90 119.550 119.550 119.024 0.526 18269 8971 1 19 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.148 -0.183 18269 8972 1 19 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.250 0.093 18269 8973 1 19 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.950 -0.959 18269 8974 1 19 . 1 1 90 90 LEU H H 90 8.422 8.422 7.894 0.528 18269 8975 1 19 . 1 1 91 91 LYS N N 91 119.180 119.180 120.197 -1.017 18269 8976 1 19 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.327 -0.465 18269 8977 1 19 . 1 1 91 91 LYS CA C 91 58.605 58.605 59.212 -0.607 18269 8978 1 19 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.949 0.528 18269 8979 1 19 . 1 1 91 91 LYS H H 91 8.218 8.218 7.970 0.248 18269 8980 1 19 . 1 1 92 92 LYS N N 92 113.632 113.632 119.544 -5.912 18269 8981 1 19 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.107 -0.054 18269 8982 1 19 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.660 -1.102 18269 8983 1 19 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.033 -0.099 18269 8984 1 19 . 1 1 92 92 LYS H H 92 6.984 6.984 7.521 -0.537 18269 8985 1 19 . 1 1 93 93 LEU N N 93 119.104 119.104 117.403 1.701 18269 8986 1 19 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.405 -0.115 18269 8987 1 19 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.173 -0.069 18269 8988 1 19 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.506 -1.404 18269 8989 1 19 . 1 1 93 93 LEU H H 93 7.456 7.456 7.507 -0.051 18269 8990 1 19 . 1 1 94 94 ASP N N 94 116.790 116.790 118.907 -2.117 18269 8991 1 19 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.727 -0.171 18269 8992 1 19 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.375 0.991 18269 8993 1 19 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.621 -1.448 18269 8994 1 19 . 1 1 94 94 ASP H H 94 7.911 7.911 8.346 -0.435 18269 8995 1 19 . 1 1 95 95 SER N N 95 122.399 122.399 121.674 0.725 18269 8996 1 19 . 1 1 95 95 SER HA H 95 4.186 4.186 4.345 -0.159 18269 8997 1 19 . 1 1 95 95 SER CA C 95 61.472 61.472 60.252 1.220 18269 8998 1 19 . 1 1 95 95 SER CB C 95 62.568 62.568 63.495 -0.927 18269 8999 1 19 . 1 1 95 95 SER H H 95 8.894 8.894 8.761 0.133 18269 9000 1 19 . 1 1 96 96 GLN N N 96 120.800 120.800 121.814 -1.014 18269 9001 1 19 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.138 -0.276 18269 9002 1 19 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.520 0.631 18269 9003 1 19 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.654 -0.237 18269 9004 1 19 . 1 1 96 96 GLN H H 96 8.610 8.610 7.826 0.784 18269 9005 1 19 . 1 1 97 97 ILE N N 97 117.387 117.387 118.614 -1.227 18269 9006 1 19 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.546 -0.147 18269 9007 1 19 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.684 2.147 18269 9008 1 19 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.020 0.254 18269 9009 1 19 . 1 1 97 97 ILE H H 97 7.470 7.470 8.292 -0.822 18269 9010 1 19 . 1 1 98 98 CYS N N 98 113.485 113.485 117.635 -4.150 18269 9011 1 19 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.238 0.833 18269 9012 1 19 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.872 2.101 18269 9013 1 19 . 1 1 98 98 CYS CB C 98 48.586 48.586 26.783 21.803 18269 9014 1 19 . 1 1 98 98 CYS H H 98 7.410 7.410 7.700 -0.290 18269 9015 1 19 . 1 1 99 99 GLU N N 99 119.123 119.123 119.675 -0.552 18269 9016 1 19 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.368 -0.045 18269 9017 1 19 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.144 0.582 18269 9018 1 19 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.369 1.610 18269 9019 1 19 . 1 1 99 99 GLU H H 99 7.308 7.308 8.007 -0.699 18269 9020 1 19 . 1 1 100 100 LEU N N 100 115.771 115.771 120.752 -4.981 18269 9021 1 19 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.213 0.084 18269 9022 1 19 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.392 0.290 18269 9023 1 19 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.579 0.382 18269 9024 1 19 . 1 1 100 100 LEU H H 100 6.496 6.496 7.478 -0.982 18269 9025 1 19 . 1 1 101 101 LYS N N 101 125.672 125.672 114.224 11.448 18269 9026 1 19 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.936 0.658 18269 9027 1 19 . 1 1 101 101 LYS CA C 101 55.350 55.350 57.004 -1.654 18269 9028 1 19 . 1 1 101 101 LYS CB C 101 35.723 35.723 30.768 4.955 18269 9029 1 19 . 1 1 101 101 LYS H H 101 8.575 8.575 8.019 0.556 18269 9030 1 19 . 1 1 102 102 TYR N N 102 120.395 120.395 121.601 -1.206 18269 9031 1 19 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.366 0.016 18269 9032 1 19 . 1 1 102 102 TYR CA C 102 60.024 60.024 57.910 2.114 18269 9033 1 19 . 1 1 102 102 TYR CB C 102 38.328 38.328 36.321 2.007 18269 9034 1 19 . 1 1 102 102 TYR H H 102 8.756 8.756 8.899 -0.143 18269 9035 1 19 . 1 1 103 103 GLU N N 103 121.550 121.550 116.576 4.974 18269 9036 1 19 . 1 1 103 103 GLU HA H 103 4.392 4.392 3.867 0.525 18269 9037 1 19 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.099 -0.772 18269 9038 1 19 . 1 1 103 103 GLU CB C 103 30.302 30.302 27.530 2.772 18269 9039 1 19 . 1 1 103 103 GLU H H 103 8.835 8.835 8.114 0.721 18269 9040 1 19 . 1 1 104 104 LYS N N 104 122.957 122.957 118.278 4.679 18269 9041 1 19 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.204 0.257 18269 9042 1 19 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.002 -0.728 18269 9043 1 19 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.610 0.437 18269 9044 1 19 . 1 1 104 104 LYS H H 104 8.490 8.490 8.192 0.298 18269 9045 1 20 . 1 1 2 2 GLU N N 2 121.590 121.590 120.306 1.284 18269 9046 1 20 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.186 0.108 18269 9047 1 20 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.072 -0.555 18269 9048 1 20 . 1 1 2 2 GLU CB C 2 30.151 30.151 29.614 0.537 18269 9049 1 20 . 1 1 2 2 GLU H H 2 8.621 8.621 8.498 0.123 18269 9050 1 20 . 1 1 3 3 ALA N N 3 125.815 125.815 127.951 -2.136 18269 9051 1 20 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.178 0.188 18269 9052 1 20 . 1 1 3 3 ALA CA C 3 52.657 52.657 53.074 -0.417 18269 9053 1 20 . 1 1 3 3 ALA CB C 3 18.947 18.947 19.243 -0.296 18269 9054 1 20 . 1 1 3 3 ALA H H 3 8.598 8.598 8.318 0.280 18269 9055 1 20 . 1 1 4 4 GLY N N 4 108.386 108.386 111.120 -2.734 18269 9056 1 20 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.812 -0.675 18269 9057 1 20 . 1 1 4 4 GLY H H 4 8.487 8.487 8.594 -0.107 18269 9058 1 20 . 1 1 5 5 GLY N N 5 108.367 108.367 109.671 -1.304 18269 9059 1 20 . 1 1 5 5 GLY CA C 5 44.754 44.754 45.553 -0.798 18269 9060 1 20 . 1 1 5 5 GLY H H 5 8.274 8.274 7.895 0.379 18269 9061 1 20 . 1 1 6 6 ARG N N 6 121.577 121.577 120.277 1.300 18269 9062 1 20 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.821 -0.146 18269 9063 1 20 . 1 1 6 6 ARG CA C 6 53.881 53.881 54.458 -0.577 18269 9064 1 20 . 1 1 6 6 ARG CB C 6 30.135 30.135 30.935 -0.800 18269 9065 1 20 . 1 1 6 6 ARG H H 6 8.297 8.297 8.250 0.047 18269 9066 1 20 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.724 -0.233 18269 9067 1 20 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.423 0.930 18269 9068 1 20 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.452 1.595 18269 9069 1 20 . 1 1 8 8 GLY N N 8 109.658 109.658 107.420 2.238 18269 9070 1 20 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.534 -0.446 18269 9071 1 20 . 1 1 8 8 GLY H H 8 8.660 8.660 8.124 0.536 18269 9072 1 20 . 1 1 9 9 ALA N N 9 123.995 123.995 120.784 3.211 18269 9073 1 20 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.612 -0.172 18269 9074 1 20 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.408 -0.611 18269 9075 1 20 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.036 0.243 18269 9076 1 20 . 1 1 9 9 ALA H H 9 8.200 8.200 7.406 0.794 18269 9077 1 20 . 1 1 10 10 ASP N N 10 119.834 119.834 118.987 0.847 18269 9078 1 20 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.716 -0.059 18269 9079 1 20 . 1 1 10 10 ASP CA C 10 54.540 54.540 55.266 -0.726 18269 9080 1 20 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.672 -1.166 18269 9081 1 20 . 1 1 10 10 ASP H H 10 8.290 8.290 8.497 -0.207 18269 9082 1 20 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.411 0.219 18269 9083 1 20 . 1 1 11 11 CYS CA C 11 54.758 54.758 60.365 -5.607 18269 9084 1 20 . 1 1 11 11 CYS CB C 11 40.460 40.460 24.766 15.694 18269 9085 1 20 . 1 1 12 12 GLU HA H 12 3.964 3.964 3.776 0.188 18269 9086 1 20 . 1 1 12 12 GLU CA C 12 61.377 61.377 59.274 2.103 18269 9087 1 20 . 1 1 12 12 GLU CB C 12 31.255 31.255 28.544 2.711 18269 9088 1 20 . 1 1 13 13 VAL N N 13 117.224 117.224 118.443 -1.219 18269 9089 1 20 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.754 -0.008 18269 9090 1 20 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.706 -1.660 18269 9091 1 20 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.533 -0.315 18269 9092 1 20 . 1 1 13 13 VAL H H 13 7.040 7.040 8.223 -1.183 18269 9093 1 20 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.166 -0.081 18269 9094 1 20 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.431 -0.986 18269 9095 1 20 . 1 1 14 14 CYS CB C 14 41.219 41.219 26.253 14.966 18269 9096 1 20 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.085 -0.026 18269 9097 1 20 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.870 -2.300 18269 9098 1 20 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.800 0.450 18269 9099 1 20 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.089 0.242 18269 9100 1 20 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.628 -0.454 18269 9101 1 20 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.473 -0.067 18269 9102 1 20 . 1 1 16 16 GLU H H 16 8.098 8.098 8.414 -0.316 18269 9103 1 20 . 1 1 17 17 PHE N N 17 120.745 120.745 120.732 0.013 18269 9104 1 20 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.497 -0.182 18269 9105 1 20 . 1 1 17 17 PHE CA C 17 62.514 62.514 62.065 0.449 18269 9106 1 20 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.245 1.268 18269 9107 1 20 . 1 1 17 17 PHE H H 17 9.126 9.126 7.977 1.149 18269 9108 1 20 . 1 1 18 18 LEU N N 18 115.787 115.787 119.585 -3.798 18269 9109 1 20 . 1 1 18 18 LEU HA H 18 4.143 4.143 4.002 0.141 18269 9110 1 20 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.740 -0.863 18269 9111 1 20 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.453 -0.501 18269 9112 1 20 . 1 1 18 18 LEU H H 18 8.505 8.505 8.844 -0.339 18269 9113 1 20 . 1 1 19 19 ASN N N 19 117.635 117.635 116.565 1.070 18269 9114 1 20 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.397 0.479 18269 9115 1 20 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.502 -0.028 18269 9116 1 20 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.901 -0.573 18269 9117 1 20 . 1 1 19 19 ASN H H 19 8.405 8.405 8.145 0.260 18269 9118 1 20 . 1 1 20 20 ARG N N 20 122.851 122.851 120.316 2.535 18269 9119 1 20 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.325 -0.208 18269 9120 1 20 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.459 0.830 18269 9121 1 20 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.285 0.170 18269 9122 1 20 . 1 1 20 20 ARG H H 20 8.325 8.325 7.875 0.450 18269 9123 1 20 . 1 1 21 21 PHE N N 21 121.774 121.774 121.086 0.688 18269 9124 1 20 . 1 1 21 21 PHE HA H 21 3.280 3.280 2.631 0.649 18269 9125 1 20 . 1 1 21 21 PHE CA C 21 59.011 59.011 59.758 -0.747 18269 9126 1 20 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.162 -0.151 18269 9127 1 20 . 1 1 21 21 PHE H H 21 8.438 8.438 8.390 0.048 18269 9128 1 20 . 1 1 22 22 TYR N N 22 119.937 119.937 120.518 -0.581 18269 9129 1 20 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.672 0.117 18269 9130 1 20 . 1 1 22 22 TYR CA C 22 61.652 61.652 62.544 -0.892 18269 9131 1 20 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.437 -0.163 18269 9132 1 20 . 1 1 22 22 TYR H H 22 8.708 8.708 8.345 0.363 18269 9133 1 20 . 1 1 23 23 LYS N N 23 116.431 116.431 117.467 -1.036 18269 9134 1 20 . 1 1 23 23 LYS HA H 23 3.859 3.859 4.000 -0.141 18269 9135 1 20 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.824 0.319 18269 9136 1 20 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.441 0.776 18269 9137 1 20 . 1 1 23 23 LYS H H 23 7.928 7.928 8.513 -0.585 18269 9138 1 20 . 1 1 24 24 SER N N 24 113.888 113.888 116.195 -2.307 18269 9139 1 20 . 1 1 24 24 SER HA H 24 4.325 4.325 4.226 0.099 18269 9140 1 20 . 1 1 24 24 SER CA C 24 61.016 61.016 61.712 -0.696 18269 9141 1 20 . 1 1 24 24 SER CB C 24 62.837 62.837 62.968 -0.131 18269 9142 1 20 . 1 1 24 24 SER H H 24 7.665 7.665 7.502 0.163 18269 9143 1 20 . 1 1 25 25 LEU N N 25 119.663 119.663 123.485 -3.822 18269 9144 1 20 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.857 -0.178 18269 9145 1 20 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.974 -0.469 18269 9146 1 20 . 1 1 25 25 LEU CB C 25 41.902 41.902 40.991 0.911 18269 9147 1 20 . 1 1 25 25 LEU H H 25 7.573 7.573 7.878 -0.305 18269 9148 1 20 . 1 1 26 26 ILE N N 26 119.781 119.781 118.225 1.556 18269 9149 1 20 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.657 0.199 18269 9150 1 20 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.073 0.476 18269 9151 1 20 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.536 0.769 18269 9152 1 20 . 1 1 26 26 ILE H H 26 8.094 8.094 7.612 0.482 18269 9153 1 20 . 1 1 27 27 ASP N N 27 122.421 122.421 120.353 2.068 18269 9154 1 20 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.411 -0.035 18269 9155 1 20 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.547 0.473 18269 9156 1 20 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.095 -1.015 18269 9157 1 20 . 1 1 27 27 ASP H H 27 9.091 9.091 7.680 1.411 18269 9158 1 20 . 1 1 28 28 ARG N N 28 115.349 115.349 117.631 -2.282 18269 9159 1 20 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.139 0.166 18269 9160 1 20 . 1 1 28 28 ARG CA C 28 56.498 56.498 57.395 -0.897 18269 9161 1 20 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.846 0.767 18269 9162 1 20 . 1 1 28 28 ARG H H 28 7.587 7.587 8.326 -0.739 18269 9163 1 20 . 1 1 29 29 GLY N N 29 109.999 109.999 106.156 3.843 18269 9164 1 20 . 1 1 29 29 GLY CA C 29 46.661 46.661 44.947 1.714 18269 9165 1 20 . 1 1 29 29 GLY H H 29 7.909 7.909 8.039 -0.130 18269 9166 1 20 . 1 1 30 30 VAL N N 30 118.740 118.740 118.102 0.638 18269 9167 1 20 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.330 -0.571 18269 9168 1 20 . 1 1 30 30 VAL CA C 30 62.470 62.470 60.586 1.884 18269 9169 1 20 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.907 -0.581 18269 9170 1 20 . 1 1 30 30 VAL H H 30 7.701 7.701 7.376 0.325 18269 9171 1 20 . 1 1 31 31 ASN N N 31 123.250 123.250 117.367 5.883 18269 9172 1 20 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.292 0.421 18269 9173 1 20 . 1 1 31 31 ASN CA C 31 53.488 53.488 53.819 -0.331 18269 9174 1 20 . 1 1 31 31 ASN CB C 31 39.211 39.211 37.365 1.846 18269 9175 1 20 . 1 1 31 31 ASN H H 31 8.498 8.498 8.705 -0.207 18269 9176 1 20 . 1 1 32 32 PHE N N 32 126.076 126.076 121.052 5.024 18269 9177 1 20 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.557 -0.419 18269 9178 1 20 . 1 1 32 32 PHE CA C 32 58.647 58.647 58.613 0.034 18269 9179 1 20 . 1 1 32 32 PHE CB C 32 36.779 36.779 39.671 -2.892 18269 9180 1 20 . 1 1 32 32 PHE H H 32 8.783 8.783 8.511 0.272 18269 9181 1 20 . 1 1 33 33 SER N N 33 115.958 115.958 118.644 -2.686 18269 9182 1 20 . 1 1 33 33 SER HA H 33 4.736 4.736 4.492 0.244 18269 9183 1 20 . 1 1 33 33 SER CA C 33 56.745 56.745 57.403 -0.658 18269 9184 1 20 . 1 1 33 33 SER CB C 33 64.899 64.899 63.656 1.243 18269 9185 1 20 . 1 1 33 33 SER H H 33 7.699 7.699 8.199 -0.500 18269 9186 1 20 . 1 1 34 34 LEU N N 34 124.359 124.359 128.241 -3.882 18269 9187 1 20 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.121 -0.268 18269 9188 1 20 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.084 1.587 18269 9189 1 20 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.439 0.107 18269 9190 1 20 . 1 1 34 34 LEU H H 34 8.935 8.935 8.882 0.053 18269 9191 1 20 . 1 1 35 35 ASP N N 35 115.345 115.345 116.411 -1.066 18269 9192 1 20 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.449 -0.071 18269 9193 1 20 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.615 -0.757 18269 9194 1 20 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.330 -0.170 18269 9195 1 20 . 1 1 35 35 ASP H H 35 8.575 8.575 8.626 -0.051 18269 9196 1 20 . 1 1 36 36 THR N N 36 116.789 116.789 116.598 0.191 18269 9197 1 20 . 1 1 36 36 THR HA H 36 4.015 4.015 4.199 -0.184 18269 9198 1 20 . 1 1 36 36 THR CA C 36 66.069 66.069 66.348 -0.279 18269 9199 1 20 . 1 1 36 36 THR CB C 36 68.780 68.780 68.890 -0.110 18269 9200 1 20 . 1 1 36 36 THR H H 36 7.593 7.593 7.215 0.378 18269 9201 1 20 . 1 1 37 37 ILE N N 37 120.685 120.685 121.815 -1.130 18269 9202 1 20 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.838 -0.469 18269 9203 1 20 . 1 1 37 37 ILE CA C 37 65.800 65.800 63.540 2.260 18269 9204 1 20 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.551 0.540 18269 9205 1 20 . 1 1 37 37 ILE H H 37 8.436 8.436 8.434 0.002 18269 9206 1 20 . 1 1 38 38 GLU N N 38 118.792 118.792 120.703 -1.911 18269 9207 1 20 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.921 -0.243 18269 9208 1 20 . 1 1 38 38 GLU CA C 38 61.060 61.060 60.046 1.014 18269 9209 1 20 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.437 0.434 18269 9210 1 20 . 1 1 38 38 GLU H H 38 8.122 8.122 8.128 -0.006 18269 9211 1 20 . 1 1 39 39 LYS N N 39 116.986 116.986 118.539 -1.553 18269 9212 1 20 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.192 -0.231 18269 9213 1 20 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.424 1.322 18269 9214 1 20 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.036 0.274 18269 9215 1 20 . 1 1 39 39 LYS H H 39 7.586 7.586 7.497 0.089 18269 9216 1 20 . 1 1 40 40 GLU N N 40 117.892 117.892 120.750 -2.858 18269 9217 1 20 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.236 -0.031 18269 9218 1 20 . 1 1 40 40 GLU CA C 40 58.359 58.359 59.197 -0.838 18269 9219 1 20 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.359 -0.780 18269 9220 1 20 . 1 1 40 40 GLU H H 40 8.690 8.690 8.724 -0.034 18269 9221 1 20 . 1 1 41 41 LEU N N 41 125.830 125.830 120.013 5.817 18269 9222 1 20 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.845 -0.298 18269 9223 1 20 . 1 1 41 41 LEU CA C 41 57.828 57.828 57.849 -0.021 18269 9224 1 20 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.740 -1.402 18269 9225 1 20 . 1 1 41 41 LEU H H 41 8.978 8.978 8.556 0.422 18269 9226 1 20 . 1 1 42 42 ILE N N 42 119.900 119.900 119.170 0.730 18269 9227 1 20 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.632 -0.048 18269 9228 1 20 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.079 0.753 18269 9229 1 20 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.748 0.042 18269 9230 1 20 . 1 1 42 42 ILE H H 42 7.884 7.884 7.425 0.459 18269 9231 1 20 . 1 1 43 43 SER N N 43 114.071 114.071 116.116 -2.045 18269 9232 1 20 . 1 1 43 43 SER HA H 43 4.277 4.277 4.195 0.082 18269 9233 1 20 . 1 1 43 43 SER CA C 43 61.598 61.598 62.293 -0.695 18269 9234 1 20 . 1 1 43 43 SER CB C 43 62.767 62.767 63.428 -0.662 18269 9235 1 20 . 1 1 43 43 SER H H 43 7.791 7.791 8.517 -0.726 18269 9236 1 20 . 1 1 44 44 PHE N N 44 125.036 125.036 121.634 3.402 18269 9237 1 20 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.341 -0.012 18269 9238 1 20 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.368 -0.111 18269 9239 1 20 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.216 1.415 18269 9240 1 20 . 1 1 44 44 PHE H H 44 9.060 9.060 9.017 0.043 18269 9241 1 20 . 1 1 45 45 CYS N N 45 112.824 112.824 119.442 -6.618 18269 9242 1 20 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.516 0.090 18269 9243 1 20 . 1 1 45 45 CYS CA C 45 59.236 59.236 61.514 -2.278 18269 9244 1 20 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.854 16.769 18269 9245 1 20 . 1 1 45 45 CYS H H 45 8.254 8.254 8.263 -0.009 18269 9246 1 20 . 1 1 46 46 LEU N N 46 123.875 123.875 120.076 3.799 18269 9247 1 20 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.331 -0.156 18269 9248 1 20 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.819 1.332 18269 9249 1 20 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.712 0.539 18269 9250 1 20 . 1 1 46 46 LEU H H 46 7.776 7.776 7.699 0.077 18269 9251 1 20 . 1 1 47 47 ASP N N 47 116.880 116.880 121.775 -4.895 18269 9252 1 20 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.584 0.326 18269 9253 1 20 . 1 1 47 47 ASP CA C 47 53.585 53.585 54.977 -1.392 18269 9254 1 20 . 1 1 47 47 ASP CB C 47 40.375 40.375 39.452 0.923 18269 9255 1 20 . 1 1 47 47 ASP H H 47 7.852 7.852 8.107 -0.255 18269 9256 1 20 . 1 1 48 48 THR N N 48 108.053 108.053 110.576 -2.523 18269 9257 1 20 . 1 1 48 48 THR HA H 48 4.461 4.461 4.432 0.029 18269 9258 1 20 . 1 1 48 48 THR CA C 48 60.844 60.844 60.235 0.609 18269 9259 1 20 . 1 1 48 48 THR CB C 48 73.395 73.395 71.920 1.475 18269 9260 1 20 . 1 1 48 48 THR H H 48 7.139 7.139 7.693 -0.554 18269 9261 1 20 . 1 1 49 49 LYS N N 49 118.308 118.308 119.128 -0.820 18269 9262 1 20 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.537 0.181 18269 9263 1 20 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.618 -0.574 18269 9264 1 20 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.682 2.888 18269 9265 1 20 . 1 1 49 49 LYS H H 49 8.755 8.755 9.210 -0.455 18269 9266 1 20 . 1 1 50 50 GLY N N 50 108.996 108.996 110.257 -1.261 18269 9267 1 20 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.847 -1.004 18269 9268 1 20 . 1 1 50 50 GLY H H 50 8.866 8.866 8.620 0.246 18269 9269 1 20 . 1 1 51 51 LYS N N 51 126.155 126.155 121.078 5.077 18269 9270 1 20 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.238 -0.268 18269 9271 1 20 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.372 -1.262 18269 9272 1 20 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.306 0.313 18269 9273 1 20 . 1 1 51 51 LYS H H 51 9.254 9.254 8.747 0.507 18269 9274 1 20 . 1 1 52 52 GLU N N 52 116.496 116.496 119.539 -3.043 18269 9275 1 20 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.309 -0.786 18269 9276 1 20 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.195 0.195 18269 9277 1 20 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.866 -1.180 18269 9278 1 20 . 1 1 52 52 GLU H H 52 8.223 8.223 8.041 0.182 18269 9279 1 20 . 1 1 53 53 ASN N N 53 119.000 119.000 119.620 -0.620 18269 9280 1 20 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.810 -0.426 18269 9281 1 20 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.966 1.012 18269 9282 1 20 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.630 0.816 18269 9283 1 20 . 1 1 53 53 ASN H H 53 6.840 6.840 8.895 -2.055 18269 9284 1 20 . 1 1 54 54 ARG N N 54 118.480 118.480 120.206 -1.726 18269 9285 1 20 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.170 -0.401 18269 9286 1 20 . 1 1 54 54 ARG CA C 54 57.397 57.397 58.127 -0.730 18269 9287 1 20 . 1 1 54 54 ARG CB C 54 28.740 28.740 29.503 -0.763 18269 9288 1 20 . 1 1 54 54 ARG H H 54 7.456 7.456 8.246 -0.790 18269 9289 1 20 . 1 1 55 55 LEU N N 55 118.688 118.688 120.267 -1.579 18269 9290 1 20 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.420 -0.612 18269 9291 1 20 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.274 0.185 18269 9292 1 20 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.789 -1.669 18269 9293 1 20 . 1 1 55 55 LEU H H 55 7.843 7.843 8.092 -0.249 18269 9294 1 20 . 1 1 56 56 CYS N N 56 115.905 115.905 117.645 -1.740 18269 9295 1 20 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.897 -0.024 18269 9296 1 20 . 1 1 56 56 CYS CA C 56 63.037 63.037 60.554 2.483 18269 9297 1 20 . 1 1 56 56 CYS CB C 56 41.905 41.905 25.288 16.617 18269 9298 1 20 . 1 1 56 56 CYS H H 56 7.752 7.752 7.796 -0.044 18269 9299 1 20 . 1 1 57 57 TYR N N 57 121.810 121.810 120.181 1.629 18269 9300 1 20 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.271 -0.128 18269 9301 1 20 . 1 1 57 57 TYR CA C 57 61.315 61.315 60.421 0.894 18269 9302 1 20 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.270 -0.216 18269 9303 1 20 . 1 1 57 57 TYR H H 57 7.911 7.911 7.791 0.120 18269 9304 1 20 . 1 1 58 58 TYR N N 58 121.916 121.916 117.136 4.780 18269 9305 1 20 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.315 0.060 18269 9306 1 20 . 1 1 58 58 TYR CA C 58 59.009 59.009 61.343 -2.334 18269 9307 1 20 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.692 -0.668 18269 9308 1 20 . 1 1 58 58 TYR H H 58 8.334 8.334 7.831 0.503 18269 9309 1 20 . 1 1 59 59 LEU N N 59 114.461 114.461 115.819 -1.358 18269 9310 1 20 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.335 -0.215 18269 9311 1 20 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.320 -0.091 18269 9312 1 20 . 1 1 59 59 LEU CB C 59 42.045 42.045 41.838 0.207 18269 9313 1 20 . 1 1 59 59 LEU H H 59 8.079 8.079 7.523 0.556 18269 9314 1 20 . 1 1 60 60 GLY N N 60 102.559 102.559 104.531 -1.972 18269 9315 1 20 . 1 1 60 60 GLY CA C 60 45.572 45.572 44.910 0.662 18269 9316 1 20 . 1 1 60 60 GLY H H 60 7.562 7.562 7.646 -0.084 18269 9317 1 20 . 1 1 61 61 ALA N N 61 120.327 120.327 123.861 -3.534 18269 9318 1 20 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.611 -0.210 18269 9319 1 20 . 1 1 61 61 ALA CA C 61 51.265 51.265 50.650 0.615 18269 9320 1 20 . 1 1 61 61 ALA CB C 61 20.337 20.337 20.334 0.003 18269 9321 1 20 . 1 1 61 61 ALA H H 61 7.995 7.995 7.721 0.274 18269 9322 1 20 . 1 1 62 62 THR N N 62 106.895 106.895 106.777 0.118 18269 9323 1 20 . 1 1 62 62 THR HA H 62 4.518 4.518 3.721 0.797 18269 9324 1 20 . 1 1 62 62 THR CA C 62 59.982 59.982 62.595 -2.613 18269 9325 1 20 . 1 1 62 62 THR CB C 62 70.540 70.540 67.437 3.103 18269 9326 1 20 . 1 1 62 62 THR H H 62 7.156 7.156 8.600 -1.444 18269 9327 1 20 . 1 1 63 63 LYS N N 63 121.251 121.251 117.997 3.254 18269 9328 1 20 . 1 1 63 63 LYS HA H 63 4.097 4.097 3.824 0.273 18269 9329 1 20 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.469 0.802 18269 9330 1 20 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.151 0.004 18269 9331 1 20 . 1 1 63 63 LYS H H 63 8.626 8.626 7.555 1.071 18269 9332 1 20 . 1 1 64 64 ASP N N 64 116.607 116.607 115.554 1.053 18269 9333 1 20 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.229 0.328 18269 9334 1 20 . 1 1 64 64 ASP CA C 64 53.902 53.902 56.023 -2.120 18269 9335 1 20 . 1 1 64 64 ASP CB C 64 40.106 40.106 40.545 -0.439 18269 9336 1 20 . 1 1 64 64 ASP H H 64 8.441 8.441 8.669 -0.228 18269 9337 1 20 . 1 1 65 65 ALA N N 65 122.486 122.486 122.098 0.388 18269 9338 1 20 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.238 -0.153 18269 9339 1 20 . 1 1 65 65 ALA CA C 65 52.549 52.549 52.319 0.230 18269 9340 1 20 . 1 1 65 65 ALA CB C 65 19.557 19.557 19.696 -0.139 18269 9341 1 20 . 1 1 65 65 ALA H H 65 7.368 7.368 7.849 -0.481 18269 9342 1 20 . 1 1 66 66 ALA N N 66 124.171 124.171 123.324 0.847 18269 9343 1 20 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.185 0.259 18269 9344 1 20 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.479 -0.008 18269 9345 1 20 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.779 0.486 18269 9346 1 20 . 1 1 66 66 ALA H H 66 8.300 8.300 8.454 -0.154 18269 9347 1 20 . 1 1 67 67 THR N N 67 111.638 111.638 117.954 -6.316 18269 9348 1 20 . 1 1 67 67 THR HA H 67 4.496 4.496 3.957 0.539 18269 9349 1 20 . 1 1 67 67 THR CA C 67 60.881 60.881 63.859 -2.978 18269 9350 1 20 . 1 1 67 67 THR CB C 67 70.199 70.199 68.826 1.373 18269 9351 1 20 . 1 1 67 67 THR H H 67 7.730 7.730 8.563 -0.833 18269 9352 1 20 . 1 1 68 68 LYS N N 68 121.732 121.732 123.445 -1.713 18269 9353 1 20 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.028 0.508 18269 9354 1 20 . 1 1 68 68 LYS CA C 68 56.562 56.562 59.851 -3.289 18269 9355 1 20 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.177 0.922 18269 9356 1 20 . 1 1 68 68 LYS H H 68 8.502 8.502 8.239 0.263 18269 9357 1 20 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.951 0.388 18269 9358 1 20 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.108 -1.401 18269 9359 1 20 . 1 1 69 69 ILE CB C 69 37.800 37.800 38.066 -0.266 18269 9360 1 20 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.201 -0.070 18269 9361 1 20 . 1 1 70 70 LEU CA C 70 58.616 58.616 58.129 0.487 18269 9362 1 20 . 1 1 70 70 LEU CB C 70 41.738 41.738 40.910 0.828 18269 9363 1 20 . 1 1 71 71 SER HA H 71 4.817 4.817 4.361 0.456 18269 9364 1 20 . 1 1 71 71 SER CA C 71 60.667 60.667 60.807 -0.140 18269 9365 1 20 . 1 1 71 71 SER CB C 71 62.646 62.646 62.598 0.048 18269 9366 1 20 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.131 0.133 18269 9367 1 20 . 1 1 72 72 GLU CA C 72 56.629 56.629 59.073 -2.444 18269 9368 1 20 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.437 -1.190 18269 9369 1 20 . 1 1 73 73 VAL N N 73 114.786 114.786 116.567 -1.781 18269 9370 1 20 . 1 1 73 73 VAL HA H 73 4.102 4.102 4.072 0.030 18269 9371 1 20 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.272 -1.531 18269 9372 1 20 . 1 1 73 73 VAL CB C 73 33.265 33.265 32.078 1.187 18269 9373 1 20 . 1 1 73 73 VAL H H 73 7.812 7.812 8.078 -0.266 18269 9374 1 20 . 1 1 74 74 THR HA H 74 3.767 3.767 4.022 -0.255 18269 9375 1 20 . 1 1 74 74 THR CA C 74 65.584 65.584 66.694 -1.110 18269 9376 1 20 . 1 1 74 74 THR CB C 74 67.470 67.470 68.303 -0.833 18269 9377 1 20 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.158 0.088 18269 9378 1 20 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.641 0.742 18269 9379 1 20 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.906 0.714 18269 9380 1 20 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.493 -0.008 18269 9381 1 20 . 1 1 76 76 PRO CA C 76 65.697 65.697 64.495 1.202 18269 9382 1 20 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.764 -0.869 18269 9383 1 20 . 1 1 77 77 MET N N 77 117.583 117.583 116.647 0.936 18269 9384 1 20 . 1 1 77 77 MET HA H 77 4.684 4.684 4.512 0.172 18269 9385 1 20 . 1 1 77 77 MET CA C 77 59.347 59.347 56.487 2.860 18269 9386 1 20 . 1 1 77 77 MET CB C 77 32.996 32.996 32.393 0.603 18269 9387 1 20 . 1 1 77 77 MET H H 77 7.685 7.685 7.996 -0.311 18269 9388 1 20 . 1 1 78 78 SER N N 78 114.578 114.578 112.679 1.899 18269 9389 1 20 . 1 1 78 78 SER HA H 78 4.226 4.226 4.371 -0.145 18269 9390 1 20 . 1 1 78 78 SER CA C 78 61.922 61.922 60.650 1.272 18269 9391 1 20 . 1 1 78 78 SER CB C 78 62.406 62.406 63.835 -1.429 18269 9392 1 20 . 1 1 78 78 SER H H 78 8.285 8.285 7.704 0.581 18269 9393 1 20 . 1 1 79 79 VAL N N 79 111.248 111.248 117.132 -5.884 18269 9394 1 20 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.318 0.433 18269 9395 1 20 . 1 1 79 79 VAL CA C 79 60.126 60.126 59.878 0.248 18269 9396 1 20 . 1 1 79 79 VAL CB C 79 30.346 30.346 35.058 -4.712 18269 9397 1 20 . 1 1 79 79 VAL H H 79 7.004 7.004 7.137 -0.133 18269 9398 1 20 . 1 1 80 80 HIS N N 80 116.703 116.703 126.099 -9.396 18269 9399 1 20 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.770 -0.654 18269 9400 1 20 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.814 -0.988 18269 9401 1 20 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.670 -3.781 18269 9402 1 20 . 1 1 80 80 HIS H H 80 8.289 8.289 8.658 -0.369 18269 9403 1 20 . 1 1 81 81 MET N N 81 120.978 120.978 126.013 -5.035 18269 9404 1 20 . 1 1 81 81 MET HA H 81 4.512 4.512 4.886 -0.374 18269 9405 1 20 . 1 1 81 81 MET CA C 81 55.007 55.007 52.795 2.212 18269 9406 1 20 . 1 1 81 81 MET CB C 81 33.265 33.265 34.877 -1.612 18269 9407 1 20 . 1 1 81 81 MET H H 81 8.006 8.006 8.110 -0.104 18269 9408 1 20 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.197 0.144 18269 9409 1 20 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.608 -1.372 18269 9410 1 20 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.389 2.274 18269 9411 1 20 . 1 1 83 83 ALA N N 83 126.545 126.545 121.829 4.716 18269 9412 1 20 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.912 0.034 18269 9413 1 20 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.432 0.541 18269 9414 1 20 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.096 1.379 18269 9415 1 20 . 1 1 83 83 ALA H H 83 9.196 9.196 8.380 0.816 18269 9416 1 20 . 1 1 84 84 MET N N 84 114.734 114.734 115.725 -0.991 18269 9417 1 20 . 1 1 84 84 MET HA H 84 4.024 4.024 4.595 -0.571 18269 9418 1 20 . 1 1 84 84 MET CA C 84 58.812 58.812 57.380 1.432 18269 9419 1 20 . 1 1 84 84 MET CB C 84 32.242 32.242 31.305 0.937 18269 9420 1 20 . 1 1 84 84 MET H H 84 9.289 9.289 7.988 1.301 18269 9421 1 20 . 1 1 85 85 LYS N N 85 116.490 116.490 120.266 -3.776 18269 9422 1 20 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.278 -0.104 18269 9423 1 20 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.218 -0.102 18269 9424 1 20 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.438 -0.645 18269 9425 1 20 . 1 1 85 85 LYS H H 85 6.997 6.997 8.576 -1.579 18269 9426 1 20 . 1 1 86 86 ILE N N 86 120.561 120.561 121.088 -0.527 18269 9427 1 20 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.648 -0.033 18269 9428 1 20 . 1 1 86 86 ILE CA C 86 66.278 66.278 65.038 1.240 18269 9429 1 20 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.860 -0.340 18269 9430 1 20 . 1 1 86 86 ILE H H 86 7.875 7.875 7.607 0.268 18269 9431 1 20 . 1 1 87 87 CYS N N 87 117.323 117.323 118.153 -0.830 18269 9432 1 20 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.052 0.024 18269 9433 1 20 . 1 1 87 87 CYS CA C 87 61.060 61.060 62.504 -1.444 18269 9434 1 20 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.888 16.845 18269 9435 1 20 . 1 1 87 87 CYS H H 87 8.643 8.643 8.030 0.613 18269 9436 1 20 . 1 1 88 88 GLU N N 88 118.070 118.070 120.101 -2.031 18269 9437 1 20 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.018 -0.070 18269 9438 1 20 . 1 1 88 88 GLU CA C 88 59.763 59.763 58.939 0.824 18269 9439 1 20 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.398 0.366 18269 9440 1 20 . 1 1 88 88 GLU H H 88 8.045 8.045 8.278 -0.233 18269 9441 1 20 . 1 1 89 89 LYS N N 89 119.719 119.719 117.670 2.049 18269 9442 1 20 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.187 -0.049 18269 9443 1 20 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.478 0.652 18269 9444 1 20 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.718 -1.015 18269 9445 1 20 . 1 1 89 89 LYS H H 89 7.530 7.530 7.727 -0.197 18269 9446 1 20 . 1 1 90 90 LEU N N 90 119.550 119.550 120.824 -1.274 18269 9447 1 20 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.036 -0.071 18269 9448 1 20 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.457 -0.114 18269 9449 1 20 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.322 -0.331 18269 9450 1 20 . 1 1 90 90 LEU H H 90 8.422 8.422 8.341 0.081 18269 9451 1 20 . 1 1 91 91 LYS N N 91 119.180 119.180 118.888 0.292 18269 9452 1 20 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.167 -0.305 18269 9453 1 20 . 1 1 91 91 LYS CA C 91 58.605 58.605 59.378 -0.773 18269 9454 1 20 . 1 1 91 91 LYS CB C 91 32.477 32.477 31.859 0.618 18269 9455 1 20 . 1 1 91 91 LYS H H 91 8.218 8.218 7.904 0.314 18269 9456 1 20 . 1 1 92 92 LYS N N 92 113.632 113.632 119.534 -5.902 18269 9457 1 20 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.110 -0.057 18269 9458 1 20 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.685 -1.127 18269 9459 1 20 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.342 -0.408 18269 9460 1 20 . 1 1 92 92 LYS H H 92 6.984 6.984 7.410 -0.426 18269 9461 1 20 . 1 1 93 93 LEU N N 93 119.104 119.104 119.106 -0.002 18269 9462 1 20 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.140 0.150 18269 9463 1 20 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.883 -0.779 18269 9464 1 20 . 1 1 93 93 LEU CB C 93 42.102 42.102 42.687 -0.585 18269 9465 1 20 . 1 1 93 93 LEU H H 93 7.456 7.456 7.427 0.029 18269 9466 1 20 . 1 1 94 94 ASP N N 94 116.790 116.790 115.625 1.165 18269 9467 1 20 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.767 -0.211 18269 9468 1 20 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.667 0.699 18269 9469 1 20 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.707 -1.534 18269 9470 1 20 . 1 1 94 94 ASP H H 94 7.911 7.911 8.285 -0.374 18269 9471 1 20 . 1 1 95 95 SER N N 95 122.399 122.399 121.565 0.834 18269 9472 1 20 . 1 1 95 95 SER HA H 95 4.186 4.186 4.235 -0.049 18269 9473 1 20 . 1 1 95 95 SER CA C 95 61.472 61.472 60.666 0.806 18269 9474 1 20 . 1 1 95 95 SER CB C 95 62.568 62.568 63.231 -0.663 18269 9475 1 20 . 1 1 95 95 SER H H 95 8.894 8.894 8.704 0.190 18269 9476 1 20 . 1 1 96 96 GLN N N 96 120.800 120.800 120.853 -0.053 18269 9477 1 20 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.133 -0.271 18269 9478 1 20 . 1 1 96 96 GLN CA C 96 58.151 58.151 56.583 1.568 18269 9479 1 20 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.147 0.270 18269 9480 1 20 . 1 1 96 96 GLN H H 96 8.610 8.610 8.454 0.156 18269 9481 1 20 . 1 1 97 97 ILE N N 97 117.387 117.387 116.570 0.817 18269 9482 1 20 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.236 0.163 18269 9483 1 20 . 1 1 97 97 ILE CA C 97 65.831 65.831 62.782 3.049 18269 9484 1 20 . 1 1 97 97 ILE CB C 97 38.274 38.274 38.161 0.113 18269 9485 1 20 . 1 1 97 97 ILE H H 97 7.470 7.470 7.378 0.092 18269 9486 1 20 . 1 1 98 98 CYS N N 98 113.485 113.485 113.252 0.233 18269 9487 1 20 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.454 0.617 18269 9488 1 20 . 1 1 98 98 CYS CA C 98 61.973 61.973 58.264 3.709 18269 9489 1 20 . 1 1 98 98 CYS CB C 98 48.586 48.586 30.138 18.448 18269 9490 1 20 . 1 1 98 98 CYS H H 98 7.410 7.410 7.218 0.192 18269 9491 1 20 . 1 1 99 99 GLU N N 99 119.123 119.123 123.215 -4.092 18269 9492 1 20 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.293 0.030 18269 9493 1 20 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.255 0.471 18269 9494 1 20 . 1 1 99 99 GLU CB C 99 29.979 29.979 27.634 2.345 18269 9495 1 20 . 1 1 99 99 GLU H H 99 7.308 7.308 7.719 -0.411 18269 9496 1 20 . 1 1 100 100 LEU N N 100 115.771 115.771 121.150 -5.379 18269 9497 1 20 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.266 0.031 18269 9498 1 20 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.573 0.109 18269 9499 1 20 . 1 1 100 100 LEU CB C 100 42.961 42.961 42.724 0.237 18269 9500 1 20 . 1 1 100 100 LEU H H 100 6.496 6.496 7.852 -1.356 18269 9501 1 20 . 1 1 101 101 LYS N N 101 125.672 125.672 113.638 12.034 18269 9502 1 20 . 1 1 101 101 LYS HA H 101 4.594 4.594 3.963 0.631 18269 9503 1 20 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.833 -1.483 18269 9504 1 20 . 1 1 101 101 LYS CB C 101 35.723 35.723 30.795 4.928 18269 9505 1 20 . 1 1 101 101 LYS H H 101 8.575 8.575 7.833 0.742 18269 9506 1 20 . 1 1 102 102 TYR N N 102 120.395 120.395 124.884 -4.489 18269 9507 1 20 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.419 -0.037 18269 9508 1 20 . 1 1 102 102 TYR CA C 102 60.024 60.024 56.958 3.066 18269 9509 1 20 . 1 1 102 102 TYR CB C 102 38.328 38.328 35.982 2.346 18269 9510 1 20 . 1 1 102 102 TYR H H 102 8.756 8.756 8.566 0.190 18269 9511 1 20 . 1 1 103 103 GLU N N 103 121.550 121.550 121.402 0.148 18269 9512 1 20 . 1 1 103 103 GLU HA H 103 4.392 4.392 3.907 0.485 18269 9513 1 20 . 1 1 103 103 GLU CA C 103 56.327 56.327 58.568 -2.241 18269 9514 1 20 . 1 1 103 103 GLU CB C 103 30.302 30.302 28.985 1.317 18269 9515 1 20 . 1 1 103 103 GLU H H 103 8.835 8.835 8.900 -0.065 18269 9516 1 20 . 1 1 104 104 LYS N N 104 122.957 122.957 120.847 2.110 18269 9517 1 20 . 1 1 104 104 LYS HA H 104 4.461 4.461 3.987 0.474 18269 9518 1 20 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.207 -0.933 18269 9519 1 20 . 1 1 104 104 LYS CB C 104 33.047 33.047 31.553 1.494 18269 9520 1 20 . 1 1 104 104 LYS H H 104 8.490 8.490 8.323 0.167 18269 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 89 3.824 0.312 3.833 18269 2 1 1 "Average Difference" HA 107 0.293 -0.020 0.294 18269 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18269 4 1 1 "Average Difference" CA 103 1.502 0.045 1.509 18269 5 1 1 "Average Difference" CB 97 4.572 -1.063 4.470 18269 6 1 1 "Average Difference" HN 90 0.619 -0.028 0.622 18269 7 1 2 "Average Difference" N 89 3.886 0.189 3.904 18269 8 1 2 "Average Difference" HA 107 0.301 -0.028 0.301 18269 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18269 10 1 2 "Average Difference" CA 103 1.412 0.116 1.414 18269 11 1 2 "Average Difference" CB 97 4.399 -1.058 4.292 18269 12 1 2 "Average Difference" HN 90 0.576 -0.040 0.577 18269 13 1 3 "Average Difference" N 89 3.402 0.320 3.406 18269 14 1 3 "Average Difference" HA 107 0.299 -0.010 0.300 18269 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18269 16 1 3 "Average Difference" CA 103 1.393 0.132 1.393 18269 17 1 3 "Average Difference" CB 97 4.405 -1.099 4.288 18269 18 1 3 "Average Difference" HN 90 0.539 -0.004 0.542 18269 19 1 4 "Average Difference" N 89 3.300 0.587 3.266 18269 20 1 4 "Average Difference" HA 107 0.273 0.013 0.274 18269 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18269 22 1 4 "Average Difference" CA 103 1.450 -0.021 1.457 18269 23 1 4 "Average Difference" CB 97 4.413 -1.145 4.284 18269 24 1 4 "Average Difference" HN 90 0.579 -0.030 0.581 18269 25 1 5 "Average Difference" N 89 3.457 0.357 3.458 18269 26 1 5 "Average Difference" HA 107 0.285 -0.032 0.285 18269 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18269 28 1 5 "Average Difference" CA 103 1.290 0.122 1.291 18269 29 1 5 "Average Difference" CB 97 4.427 -1.105 4.309 18269 30 1 5 "Average Difference" HN 90 0.540 0.009 0.543 18269 31 1 6 "Average Difference" N 89 3.395 0.179 3.409 18269 32 1 6 "Average Difference" HA 107 0.303 -0.026 0.303 18269 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18269 34 1 6 "Average Difference" CA 103 1.297 0.072 1.302 18269 35 1 6 "Average Difference" CB 97 4.448 -1.047 4.345 18269 36 1 6 "Average Difference" HN 90 0.585 0.028 0.587 18269 37 1 7 "Average Difference" N 89 3.027 0.502 3.002 18269 38 1 7 "Average Difference" HA 107 0.269 -0.016 0.270 18269 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18269 40 1 7 "Average Difference" CA 103 1.466 0.156 1.464 18269 41 1 7 "Average Difference" CB 97 4.335 -0.986 4.243 18269 42 1 7 "Average Difference" HN 90 0.578 0.013 0.581 18269 43 1 8 "Average Difference" N 89 3.171 0.153 3.185 18269 44 1 8 "Average Difference" HA 107 0.274 -0.023 0.274 18269 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18269 46 1 8 "Average Difference" CA 103 1.347 0.027 1.354 18269 47 1 8 "Average Difference" CB 97 4.425 -1.145 4.296 18269 48 1 8 "Average Difference" HN 90 0.563 -0.074 0.561 18269 49 1 9 "Average Difference" N 89 3.382 0.331 3.385 18269 50 1 9 "Average Difference" HA 107 0.310 -0.013 0.312 18269 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18269 52 1 9 "Average Difference" CA 103 1.379 0.149 1.378 18269 53 1 9 "Average Difference" CB 97 4.426 -1.019 4.330 18269 54 1 9 "Average Difference" HN 90 0.591 -0.009 0.594 18269 55 1 10 "Average Difference" N 89 3.308 0.099 3.325 18269 56 1 10 "Average Difference" HA 107 0.290 -0.017 0.291 18269 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18269 58 1 10 "Average Difference" CA 103 1.397 0.095 1.400 18269 59 1 10 "Average Difference" CB 97 4.367 -1.069 4.256 18269 60 1 10 "Average Difference" HN 90 0.589 -0.042 0.590 18269 61 1 11 "Average Difference" N 89 3.305 0.436 3.295 18269 62 1 11 "Average Difference" HA 107 0.279 -0.009 0.281 18269 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18269 64 1 11 "Average Difference" CA 103 1.397 0.144 1.397 18269 65 1 11 "Average Difference" CB 97 4.339 -1.041 4.234 18269 66 1 11 "Average Difference" HN 90 0.547 0.000 0.550 18269 67 1 12 "Average Difference" N 89 3.734 0.635 3.701 18269 68 1 12 "Average Difference" HA 107 0.298 0.001 0.299 18269 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18269 70 1 12 "Average Difference" CA 103 1.432 0.087 1.436 18269 71 1 12 "Average Difference" CB 97 4.392 -1.121 4.269 18269 72 1 12 "Average Difference" HN 90 0.530 -0.015 0.533 18269 73 1 13 "Average Difference" N 89 3.377 0.298 3.382 18269 74 1 13 "Average Difference" HA 107 0.289 -0.029 0.289 18269 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18269 76 1 13 "Average Difference" CA 103 1.485 0.208 1.478 18269 77 1 13 "Average Difference" CB 97 4.372 -1.088 4.256 18269 78 1 13 "Average Difference" HN 90 0.564 -0.028 0.566 18269 79 1 14 "Average Difference" N 89 3.442 0.211 3.455 18269 80 1 14 "Average Difference" HA 107 0.311 0.001 0.312 18269 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18269 82 1 14 "Average Difference" CA 103 1.446 0.040 1.453 18269 83 1 14 "Average Difference" CB 97 4.364 -1.106 4.243 18269 84 1 14 "Average Difference" HN 90 0.558 -0.023 0.560 18269 85 1 15 "Average Difference" N 89 3.308 0.454 3.295 18269 86 1 15 "Average Difference" HA 107 0.300 -0.005 0.302 18269 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18269 88 1 15 "Average Difference" CA 103 1.347 0.073 1.352 18269 89 1 15 "Average Difference" CB 97 4.541 -1.114 4.425 18269 90 1 15 "Average Difference" HN 90 0.563 0.000 0.566 18269 91 1 16 "Average Difference" N 89 3.489 0.562 3.463 18269 92 1 16 "Average Difference" HA 107 0.260 -0.023 0.261 18269 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18269 94 1 16 "Average Difference" CA 103 1.316 0.065 1.321 18269 95 1 16 "Average Difference" CB 97 4.458 -1.087 4.346 18269 96 1 16 "Average Difference" HN 90 0.587 -0.044 0.588 18269 97 1 17 "Average Difference" N 89 3.533 0.341 3.536 18269 98 1 17 "Average Difference" HA 107 0.286 -0.027 0.286 18269 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18269 100 1 17 "Average Difference" CA 103 1.365 0.093 1.368 18269 101 1 17 "Average Difference" CB 97 4.424 -1.151 4.294 18269 102 1 17 "Average Difference" HN 90 0.572 -0.044 0.574 18269 103 1 18 "Average Difference" N 89 3.414 0.352 3.416 18269 104 1 18 "Average Difference" HA 107 0.285 -0.022 0.286 18269 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18269 106 1 18 "Average Difference" CA 103 1.509 0.108 1.513 18269 107 1 18 "Average Difference" CB 97 4.393 -1.142 4.264 18269 108 1 18 "Average Difference" HN 90 0.593 -0.010 0.596 18269 109 1 19 "Average Difference" N 89 3.601 0.444 3.594 18269 110 1 19 "Average Difference" HA 107 0.267 -0.027 0.267 18269 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18269 112 1 19 "Average Difference" CA 103 1.294 0.171 1.289 18269 113 1 19 "Average Difference" CB 97 4.406 -1.099 4.289 18269 114 1 19 "Average Difference" HN 90 0.566 0.016 0.569 18269 115 1 20 "Average Difference" N 89 3.259 0.438 3.248 18269 116 1 20 "Average Difference" HA 107 0.302 -0.024 0.302 18269 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18269 118 1 20 "Average Difference" CA 103 1.455 0.101 1.458 18269 119 1 20 "Average Difference" CB 97 4.331 -1.169 4.192 18269 120 1 20 "Average Difference" HN 90 0.571 0.009 0.574 18269 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 18269 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLU N N 2 121.590 121.590 120.442 1.148 18269 2 1 . 1 1 2 2 GLU HA H 2 4.294 4.294 4.243 0.051 18269 3 1 . 1 1 2 2 GLU CA C 2 56.517 56.517 57.010 -0.492 18269 4 1 . 1 1 2 2 GLU CB C 2 30.151 30.151 30.136 0.015 18269 5 1 . 1 1 2 2 GLU H H 2 8.621 8.621 8.608 0.013 18269 6 1 . 1 1 3 3 ALA N N 3 125.815 125.815 124.120 1.695 18269 7 1 . 1 1 3 3 ALA HA H 3 4.366 4.366 4.520 -0.154 18269 8 1 . 1 1 3 3 ALA CA C 3 52.657 52.657 52.048 0.609 18269 9 1 . 1 1 3 3 ALA CB C 3 18.947 18.947 19.897 -0.950 18269 10 1 . 1 1 3 3 ALA H H 3 8.598 8.598 8.540 0.058 18269 11 1 . 1 1 4 4 GLY N N 4 108.386 108.386 108.713 -0.327 18269 12 1 . 1 1 4 4 GLY CA C 4 45.137 45.137 45.552 -0.415 18269 13 1 . 1 1 4 4 GLY H H 4 8.487 8.487 8.393 0.094 18269 14 1 . 1 1 5 5 GLY N N 5 108.367 108.367 110.564 -2.197 18269 15 1 . 1 1 5 5 GLY CA C 5 44.754 44.754 44.744 0.010 18269 16 1 . 1 1 5 5 GLY H H 5 8.274 8.274 8.282 -0.008 18269 17 1 . 1 1 6 6 ARG N N 6 121.577 121.577 118.953 2.624 18269 18 1 . 1 1 6 6 ARG HA H 6 4.675 4.675 4.372 0.303 18269 19 1 . 1 1 6 6 ARG CA C 6 53.881 53.881 54.702 -0.821 18269 20 1 . 1 1 6 6 ARG CB C 6 30.135 30.135 29.241 0.894 18269 21 1 . 1 1 6 6 ARG H H 6 8.297 8.297 8.202 0.095 18269 22 1 . 1 1 7 7 PRO HA H 7 4.491 4.491 4.654 -0.163 18269 23 1 . 1 1 7 7 PRO CA C 7 63.353 63.353 62.250 1.103 18269 24 1 . 1 1 7 7 PRO CB C 7 32.047 32.047 30.906 1.141 18269 25 1 . 1 1 8 8 GLY N N 8 109.658 109.658 107.939 1.719 18269 26 1 . 1 1 8 8 GLY CA C 8 45.088 45.088 45.814 -0.726 18269 27 1 . 1 1 8 8 GLY H H 8 8.660 8.660 8.175 0.485 18269 28 1 . 1 1 9 9 ALA N N 9 123.995 123.995 120.441 3.554 18269 29 1 . 1 1 9 9 ALA HA H 9 4.440 4.440 4.480 -0.040 18269 30 1 . 1 1 9 9 ALA CA C 9 51.797 51.797 52.698 -0.901 18269 31 1 . 1 1 9 9 ALA CB C 9 19.279 19.279 19.089 0.190 18269 32 1 . 1 1 9 9 ALA H H 9 8.200 8.200 7.725 0.475 18269 33 1 . 1 1 10 10 ASP N N 10 119.834 119.834 118.321 1.513 18269 34 1 . 1 1 10 10 ASP HA H 10 4.657 4.657 4.697 -0.040 18269 35 1 . 1 1 10 10 ASP CA C 10 54.540 54.540 54.784 -0.244 18269 36 1 . 1 1 10 10 ASP CB C 10 41.506 41.506 42.265 -0.759 18269 37 1 . 1 1 10 10 ASP H H 10 8.290 8.290 8.403 -0.113 18269 38 1 . 1 1 11 11 CYS HA H 11 4.630 4.630 4.481 0.149 18269 39 1 . 1 1 11 11 CYS CA C 11 54.758 54.758 59.849 -5.091 18269 40 1 . 1 1 11 11 CYS CB C 11 40.460 40.460 26.828 13.632 18269 41 1 . 1 1 12 12 GLU HA H 12 3.964 3.964 4.101 -0.137 18269 42 1 . 1 1 12 12 GLU CA C 12 61.377 61.377 58.845 2.532 18269 43 1 . 1 1 12 12 GLU CB C 12 31.255 31.255 29.613 1.642 18269 44 1 . 1 1 13 13 VAL N N 13 117.224 117.224 119.906 -2.682 18269 45 1 . 1 1 13 13 VAL HA H 13 3.746 3.746 3.681 0.065 18269 46 1 . 1 1 13 13 VAL CA C 13 65.046 65.046 66.728 -1.682 18269 47 1 . 1 1 13 13 VAL CB C 13 31.218 31.218 31.282 -0.064 18269 48 1 . 1 1 13 13 VAL H H 13 7.040 7.040 8.191 -1.151 18269 49 1 . 1 1 14 14 CYS HA H 14 4.085 4.085 4.160 -0.075 18269 50 1 . 1 1 14 14 CYS CA C 14 61.445 61.445 62.149 -0.704 18269 51 1 . 1 1 14 14 CYS CB C 14 41.219 41.219 25.856 15.363 18269 52 1 . 1 1 15 15 LYS HA H 15 4.059 4.059 4.035 0.024 18269 53 1 . 1 1 15 15 LYS CA C 15 57.571 57.571 59.709 -2.138 18269 54 1 . 1 1 15 15 LYS CB C 15 32.250 32.250 31.951 0.299 18269 55 1 . 1 1 16 16 GLU HA H 16 4.331 4.331 4.146 0.185 18269 56 1 . 1 1 16 16 GLU CA C 16 59.174 59.174 59.423 -0.249 18269 57 1 . 1 1 16 16 GLU CB C 16 29.406 29.406 29.401 0.004 18269 58 1 . 1 1 16 16 GLU H H 16 8.098 8.098 8.394 -0.296 18269 59 1 . 1 1 17 17 PHE N N 17 120.745 120.745 121.543 -0.798 18269 60 1 . 1 1 17 17 PHE HA H 17 4.315 4.315 4.409 -0.094 18269 61 1 . 1 1 17 17 PHE CA C 17 62.514 62.514 61.968 0.546 18269 62 1 . 1 1 17 17 PHE CB C 17 40.513 40.513 39.283 1.230 18269 63 1 . 1 1 17 17 PHE H H 17 9.126 9.126 8.145 0.981 18269 64 1 . 1 1 18 18 LEU N N 18 115.787 115.787 119.117 -3.330 18269 65 1 . 1 1 18 18 LEU HA H 18 4.143 4.143 3.854 0.289 18269 66 1 . 1 1 18 18 LEU CA C 18 57.877 57.877 58.348 -0.471 18269 67 1 . 1 1 18 18 LEU CB C 18 40.952 40.952 41.450 -0.498 18269 68 1 . 1 1 18 18 LEU H H 18 8.505 8.505 8.402 0.102 18269 69 1 . 1 1 19 19 ASN N N 19 117.635 117.635 117.158 0.477 18269 70 1 . 1 1 19 19 ASN HA H 19 4.876 4.876 4.406 0.470 18269 71 1 . 1 1 19 19 ASN CA C 19 56.474 56.474 56.725 -0.251 18269 72 1 . 1 1 19 19 ASN CB C 19 38.328 38.328 38.829 -0.501 18269 73 1 . 1 1 19 19 ASN H H 19 8.405 8.405 8.292 0.113 18269 74 1 . 1 1 20 20 ARG N N 20 122.851 122.851 119.584 3.267 18269 75 1 . 1 1 20 20 ARG HA H 20 4.117 4.117 4.090 0.027 18269 76 1 . 1 1 20 20 ARG CA C 20 60.289 60.289 59.458 0.831 18269 77 1 . 1 1 20 20 ARG CB C 20 30.455 30.455 30.158 0.297 18269 78 1 . 1 1 20 20 ARG H H 20 8.325 8.325 8.002 0.323 18269 79 1 . 1 1 21 21 PHE N N 21 121.774 121.774 121.321 0.453 18269 80 1 . 1 1 21 21 PHE HA H 21 3.280 3.280 3.126 0.154 18269 81 1 . 1 1 21 21 PHE CA C 21 59.011 59.011 60.623 -1.612 18269 82 1 . 1 1 21 21 PHE CB C 21 38.011 38.011 38.195 -0.184 18269 83 1 . 1 1 21 21 PHE H H 21 8.438 8.438 8.235 0.203 18269 84 1 . 1 1 22 22 TYR N N 22 119.937 119.937 120.358 -0.421 18269 85 1 . 1 1 22 22 TYR HA H 22 3.789 3.789 3.793 -0.004 18269 86 1 . 1 1 22 22 TYR CA C 22 61.652 61.652 61.699 -0.047 18269 87 1 . 1 1 22 22 TYR CB C 22 38.274 38.274 38.390 -0.116 18269 88 1 . 1 1 22 22 TYR H H 22 8.708 8.708 8.447 0.261 18269 89 1 . 1 1 23 23 LYS N N 23 116.431 116.431 117.247 -0.816 18269 90 1 . 1 1 23 23 LYS HA H 23 3.859 3.859 3.943 -0.084 18269 91 1 . 1 1 23 23 LYS CA C 23 59.143 59.143 58.329 0.814 18269 92 1 . 1 1 23 23 LYS CB C 23 32.217 32.217 31.574 0.643 18269 93 1 . 1 1 23 23 LYS H H 23 7.928 7.928 8.113 -0.185 18269 94 1 . 1 1 24 24 SER N N 24 113.888 113.888 117.098 -3.210 18269 95 1 . 1 1 24 24 SER HA H 24 4.325 4.325 4.212 0.113 18269 96 1 . 1 1 24 24 SER CA C 24 61.016 61.016 61.914 -0.898 18269 97 1 . 1 1 24 24 SER CB C 24 62.837 62.837 62.806 0.031 18269 98 1 . 1 1 24 24 SER H H 24 7.665 7.665 7.949 -0.284 18269 99 1 . 1 1 25 25 LEU N N 25 119.663 119.663 121.982 -2.319 18269 100 1 . 1 1 25 25 LEU HA H 25 3.679 3.679 3.924 -0.245 18269 101 1 . 1 1 25 25 LEU CA C 25 57.505 57.505 57.830 -0.325 18269 102 1 . 1 1 25 25 LEU CB C 25 41.902 41.902 41.191 0.711 18269 103 1 . 1 1 25 25 LEU H H 25 7.573 7.573 7.753 -0.180 18269 104 1 . 1 1 26 26 ILE N N 26 119.781 119.781 118.978 0.803 18269 105 1 . 1 1 26 26 ILE HA H 26 3.856 3.856 3.638 0.218 18269 106 1 . 1 1 26 26 ILE CA C 26 63.549 63.549 63.362 0.187 18269 107 1 . 1 1 26 26 ILE CB C 26 37.305 37.305 36.593 0.712 18269 108 1 . 1 1 26 26 ILE H H 26 8.094 8.094 7.368 0.726 18269 109 1 . 1 1 27 27 ASP N N 27 122.421 122.421 120.215 2.206 18269 110 1 . 1 1 27 27 ASP HA H 27 4.376 4.376 4.381 -0.005 18269 111 1 . 1 1 27 27 ASP CA C 27 57.020 57.020 56.700 0.320 18269 112 1 . 1 1 27 27 ASP CB C 27 40.080 40.080 41.063 -0.983 18269 113 1 . 1 1 27 27 ASP H H 27 9.091 9.091 8.090 1.001 18269 114 1 . 1 1 28 28 ARG N N 28 115.349 115.349 117.377 -2.028 18269 115 1 . 1 1 28 28 ARG HA H 28 4.305 4.305 4.261 0.044 18269 116 1 . 1 1 28 28 ARG CA C 28 56.498 56.498 56.609 -0.111 18269 117 1 . 1 1 28 28 ARG CB C 28 31.613 31.613 30.801 0.812 18269 118 1 . 1 1 28 28 ARG H H 28 7.587 7.587 8.133 -0.546 18269 119 1 . 1 1 29 29 GLY N N 29 109.999 109.999 107.750 2.249 18269 120 1 . 1 1 29 29 GLY CA C 29 46.661 46.661 45.350 1.311 18269 121 1 . 1 1 29 29 GLY H H 29 7.909 7.909 7.799 0.110 18269 122 1 . 1 1 30 30 VAL N N 30 118.740 118.740 118.438 0.302 18269 123 1 . 1 1 30 30 VAL HA H 30 3.759 3.759 4.327 -0.568 18269 124 1 . 1 1 30 30 VAL CA C 30 62.470 62.470 61.165 1.305 18269 125 1 . 1 1 30 30 VAL CB C 30 32.326 32.326 32.023 0.303 18269 126 1 . 1 1 30 30 VAL H H 30 7.701 7.701 7.841 -0.140 18269 127 1 . 1 1 31 31 ASN N N 31 123.250 123.250 120.899 2.351 18269 128 1 . 1 1 31 31 ASN HA H 31 4.713 4.713 4.642 0.071 18269 129 1 . 1 1 31 31 ASN CA C 31 53.488 53.488 52.787 0.701 18269 130 1 . 1 1 31 31 ASN CB C 31 39.211 39.211 39.536 -0.325 18269 131 1 . 1 1 31 31 ASN H H 31 8.498 8.498 7.945 0.553 18269 132 1 . 1 1 32 32 PHE N N 32 126.076 126.076 116.874 9.202 18269 133 1 . 1 1 32 32 PHE HA H 32 4.138 4.138 4.376 -0.238 18269 134 1 . 1 1 32 32 PHE CA C 32 58.647 58.647 59.542 -0.895 18269 135 1 . 1 1 32 32 PHE CB C 32 36.779 36.779 38.348 -1.569 18269 136 1 . 1 1 32 32 PHE H H 32 8.783 8.783 8.541 0.242 18269 137 1 . 1 1 33 33 SER N N 33 115.958 115.958 116.849 -0.891 18269 138 1 . 1 1 33 33 SER HA H 33 4.736 4.736 4.605 0.131 18269 139 1 . 1 1 33 33 SER CA C 33 56.745 56.745 57.782 -1.037 18269 140 1 . 1 1 33 33 SER CB C 33 64.899 64.899 64.098 0.801 18269 141 1 . 1 1 33 33 SER H H 33 7.699 7.699 8.002 -0.303 18269 142 1 . 1 1 34 34 LEU N N 34 124.359 124.359 128.023 -3.664 18269 143 1 . 1 1 34 34 LEU HA H 34 3.853 3.853 4.037 -0.184 18269 144 1 . 1 1 34 34 LEU CA C 34 59.671 59.671 58.288 1.382 18269 145 1 . 1 1 34 34 LEU CB C 34 41.546 41.546 41.485 0.061 18269 146 1 . 1 1 34 34 LEU H H 34 8.935 8.935 8.784 0.151 18269 147 1 . 1 1 35 35 ASP N N 35 115.345 115.345 117.115 -1.770 18269 148 1 . 1 1 35 35 ASP HA H 35 4.378 4.378 4.448 -0.070 18269 149 1 . 1 1 35 35 ASP CA C 35 56.858 56.858 57.604 -0.746 18269 150 1 . 1 1 35 35 ASP CB C 35 40.160 40.160 40.471 -0.311 18269 151 1 . 1 1 35 35 ASP H H 35 8.575 8.575 8.642 -0.067 18269 152 1 . 1 1 36 36 THR N N 36 116.789 116.789 116.672 0.117 18269 153 1 . 1 1 36 36 THR HA H 36 4.015 4.015 4.160 -0.145 18269 154 1 . 1 1 36 36 THR CA C 36 66.069 66.069 66.478 -0.409 18269 155 1 . 1 1 36 36 THR CB C 36 68.780 68.780 68.861 -0.081 18269 156 1 . 1 1 36 36 THR H H 36 7.593 7.593 7.308 0.285 18269 157 1 . 1 1 37 37 ILE N N 37 120.685 120.685 121.539 -0.854 18269 158 1 . 1 1 37 37 ILE HA H 37 3.369 3.369 3.794 -0.425 18269 159 1 . 1 1 37 37 ILE CA C 37 65.800 65.800 64.858 0.942 18269 160 1 . 1 1 37 37 ILE CB C 37 37.091 37.091 36.996 0.095 18269 161 1 . 1 1 37 37 ILE H H 37 8.436 8.436 8.615 -0.179 18269 162 1 . 1 1 38 38 GLU N N 38 118.792 118.792 120.619 -1.827 18269 163 1 . 1 1 38 38 GLU HA H 38 3.678 3.678 3.945 -0.267 18269 164 1 . 1 1 38 38 GLU CA C 38 61.060 61.060 59.856 1.204 18269 165 1 . 1 1 38 38 GLU CB C 38 29.871 29.871 29.504 0.367 18269 166 1 . 1 1 38 38 GLU H H 38 8.122 8.122 8.075 0.047 18269 167 1 . 1 1 39 39 LYS N N 39 116.986 116.986 119.337 -2.351 18269 168 1 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.127 -0.166 18269 169 1 . 1 1 39 39 LYS CA C 39 59.746 59.746 58.734 1.012 18269 170 1 . 1 1 39 39 LYS CB C 39 32.310 32.310 32.127 0.183 18269 171 1 . 1 1 39 39 LYS H H 39 7.586 7.586 7.727 -0.141 18269 172 1 . 1 1 40 40 GLU N N 40 117.892 117.892 119.960 -2.068 18269 173 1 . 1 1 40 40 GLU HA H 40 4.205 4.205 4.288 -0.083 18269 174 1 . 1 1 40 40 GLU CA C 40 58.359 58.359 58.841 -0.482 18269 175 1 . 1 1 40 40 GLU CB C 40 28.579 28.579 29.500 -0.921 18269 176 1 . 1 1 40 40 GLU H H 40 8.690 8.690 8.437 0.253 18269 177 1 . 1 1 41 41 LEU N N 41 125.830 125.830 121.291 4.539 18269 178 1 . 1 1 41 41 LEU HA H 41 3.547 3.547 3.804 -0.257 18269 179 1 . 1 1 41 41 LEU CA C 41 57.828 57.828 58.144 -0.316 18269 180 1 . 1 1 41 41 LEU CB C 41 40.338 40.338 41.715 -1.377 18269 181 1 . 1 1 41 41 LEU H H 41 8.978 8.978 8.400 0.578 18269 182 1 . 1 1 42 42 ILE N N 42 119.900 119.900 119.589 0.311 18269 183 1 . 1 1 42 42 ILE HA H 42 3.584 3.584 3.762 -0.178 18269 184 1 . 1 1 42 42 ILE CA C 42 65.832 65.832 65.117 0.715 18269 185 1 . 1 1 42 42 ILE CB C 42 37.790 37.790 37.820 -0.030 18269 186 1 . 1 1 42 42 ILE H H 42 7.884 7.884 7.845 0.039 18269 187 1 . 1 1 43 43 SER N N 43 114.071 114.071 116.071 -2.000 18269 188 1 . 1 1 43 43 SER HA H 43 4.277 4.277 4.181 0.096 18269 189 1 . 1 1 43 43 SER CA C 43 61.598 61.598 62.020 -0.422 18269 190 1 . 1 1 43 43 SER CB C 43 62.767 62.767 63.204 -0.437 18269 191 1 . 1 1 43 43 SER H H 43 7.791 7.791 8.272 -0.481 18269 192 1 . 1 1 44 44 PHE N N 44 125.036 125.036 122.402 2.634 18269 193 1 . 1 1 44 44 PHE HA H 44 4.329 4.329 4.351 -0.022 18269 194 1 . 1 1 44 44 PHE CA C 44 61.257 61.257 61.722 -0.465 18269 195 1 . 1 1 44 44 PHE CB C 44 40.631 40.631 39.447 1.184 18269 196 1 . 1 1 44 44 PHE H H 44 9.060 9.060 8.754 0.306 18269 197 1 . 1 1 45 45 CYS N N 45 112.824 112.824 118.949 -6.125 18269 198 1 . 1 1 45 45 CYS HA H 45 4.606 4.606 4.501 0.105 18269 199 1 . 1 1 45 45 CYS CA C 45 59.236 59.236 62.044 -2.808 18269 200 1 . 1 1 45 45 CYS CB C 45 42.623 42.623 25.987 16.636 18269 201 1 . 1 1 45 45 CYS H H 45 8.254 8.254 8.480 -0.226 18269 202 1 . 1 1 46 46 LEU N N 46 123.875 123.875 119.436 4.439 18269 203 1 . 1 1 46 46 LEU HA H 46 4.175 4.175 4.290 -0.115 18269 204 1 . 1 1 46 46 LEU CA C 46 58.151 58.151 56.871 1.280 18269 205 1 . 1 1 46 46 LEU CB C 46 42.252 42.252 41.880 0.372 18269 206 1 . 1 1 46 46 LEU H H 46 7.776 7.776 7.830 -0.054 18269 207 1 . 1 1 47 47 ASP N N 47 116.880 116.880 118.482 -1.602 18269 208 1 . 1 1 47 47 ASP HA H 47 4.910 4.910 4.591 0.319 18269 209 1 . 1 1 47 47 ASP CA C 47 53.585 53.585 55.097 -1.512 18269 210 1 . 1 1 47 47 ASP CB C 47 40.375 40.375 40.904 -0.529 18269 211 1 . 1 1 47 47 ASP H H 47 7.852 7.852 8.001 -0.149 18269 212 1 . 1 1 48 48 THR N N 48 108.053 108.053 113.297 -5.244 18269 213 1 . 1 1 48 48 THR HA H 48 4.461 4.461 4.279 0.182 18269 214 1 . 1 1 48 48 THR CA C 48 60.844 60.844 61.398 -0.554 18269 215 1 . 1 1 48 48 THR CB C 48 73.395 73.395 70.434 2.961 18269 216 1 . 1 1 48 48 THR H H 48 7.139 7.139 7.579 -0.440 18269 217 1 . 1 1 49 49 LYS N N 49 118.308 118.308 119.293 -0.985 18269 218 1 . 1 1 49 49 LYS HA H 49 4.718 4.718 4.558 0.160 18269 219 1 . 1 1 49 49 LYS CA C 49 54.044 54.044 54.915 -0.872 18269 220 1 . 1 1 49 49 LYS CB C 49 36.570 36.570 33.525 3.045 18269 221 1 . 1 1 49 49 LYS H H 49 8.755 8.755 8.987 -0.232 18269 222 1 . 1 1 50 50 GLY N N 50 108.996 108.996 110.014 -1.018 18269 223 1 . 1 1 50 50 GLY CA C 50 46.843 46.843 47.756 -0.913 18269 224 1 . 1 1 50 50 GLY H H 50 8.866 8.866 8.699 0.167 18269 225 1 . 1 1 51 51 LYS N N 51 126.155 126.155 121.432 4.723 18269 226 1 . 1 1 51 51 LYS HA H 51 3.970 3.970 4.067 -0.097 18269 227 1 . 1 1 51 51 LYS CA C 51 58.110 58.110 59.198 -1.088 18269 228 1 . 1 1 51 51 LYS CB C 51 32.619 32.619 32.032 0.587 18269 229 1 . 1 1 51 51 LYS H H 51 9.254 9.254 8.666 0.588 18269 230 1 . 1 1 52 52 GLU N N 52 116.496 116.496 119.081 -2.585 18269 231 1 . 1 1 52 52 GLU HA H 52 3.523 3.523 4.145 -0.622 18269 232 1 . 1 1 52 52 GLU CA C 52 59.390 59.390 59.275 0.115 18269 233 1 . 1 1 52 52 GLU CB C 52 28.686 28.686 29.691 -1.005 18269 234 1 . 1 1 52 52 GLU H H 52 8.223 8.223 8.065 0.158 18269 235 1 . 1 1 53 53 ASN N N 53 119.000 119.000 119.074 -0.074 18269 236 1 . 1 1 53 53 ASN HA H 53 4.384 4.384 4.753 -0.369 18269 237 1 . 1 1 53 53 ASN CA C 53 56.978 56.978 55.752 1.226 18269 238 1 . 1 1 53 53 ASN CB C 53 39.446 39.446 38.643 0.803 18269 239 1 . 1 1 53 53 ASN H H 53 6.840 6.840 8.713 -1.873 18269 240 1 . 1 1 54 54 ARG N N 54 118.480 118.480 119.490 -1.010 18269 241 1 . 1 1 54 54 ARG HA H 54 3.769 3.769 4.330 -0.561 18269 242 1 . 1 1 54 54 ARG CA C 54 57.397 57.397 57.740 -0.343 18269 243 1 . 1 1 54 54 ARG CB C 54 28.740 28.740 30.029 -1.288 18269 244 1 . 1 1 54 54 ARG H H 54 7.456 7.456 8.084 -0.628 18269 245 1 . 1 1 55 55 LEU N N 55 118.688 118.688 121.562 -2.874 18269 246 1 . 1 1 55 55 LEU HA H 55 3.808 3.808 4.196 -0.388 18269 247 1 . 1 1 55 55 LEU CA C 55 58.459 58.459 58.052 0.408 18269 248 1 . 1 1 55 55 LEU CB C 55 40.120 40.120 41.784 -1.664 18269 249 1 . 1 1 55 55 LEU H H 55 7.843 7.843 7.990 -0.147 18269 250 1 . 1 1 56 56 CYS N N 56 115.905 115.905 116.973 -1.068 18269 251 1 . 1 1 56 56 CYS HA H 56 3.873 3.873 3.890 -0.017 18269 252 1 . 1 1 56 56 CYS CA C 56 63.037 63.037 61.282 1.755 18269 253 1 . 1 1 56 56 CYS CB C 56 41.905 41.905 24.916 16.989 18269 254 1 . 1 1 56 56 CYS H H 56 7.752 7.752 7.837 -0.085 18269 255 1 . 1 1 57 57 TYR N N 57 121.810 121.810 119.191 2.619 18269 256 1 . 1 1 57 57 TYR HA H 57 4.143 4.143 4.159 -0.016 18269 257 1 . 1 1 57 57 TYR CA C 57 61.315 61.315 61.103 0.212 18269 258 1 . 1 1 57 57 TYR CB C 57 37.054 37.054 37.611 -0.557 18269 259 1 . 1 1 57 57 TYR H H 57 7.911 7.911 7.730 0.181 18269 260 1 . 1 1 58 58 TYR N N 58 121.916 121.916 116.274 5.642 18269 261 1 . 1 1 58 58 TYR HA H 58 4.375 4.375 4.355 0.020 18269 262 1 . 1 1 58 58 TYR CA C 58 59.009 59.009 60.259 -1.250 18269 263 1 . 1 1 58 58 TYR CB C 58 38.024 38.024 38.496 -0.472 18269 264 1 . 1 1 58 58 TYR H H 58 8.334 8.334 7.480 0.854 18269 265 1 . 1 1 59 59 LEU N N 59 114.461 114.461 116.382 -1.921 18269 266 1 . 1 1 59 59 LEU HA H 59 4.120 4.120 4.111 0.009 18269 267 1 . 1 1 59 59 LEU CA C 59 55.229 55.229 55.766 -0.537 18269 268 1 . 1 1 59 59 LEU CB C 59 42.045 42.045 42.206 -0.161 18269 269 1 . 1 1 59 59 LEU H H 59 8.079 8.079 7.821 0.258 18269 270 1 . 1 1 60 60 GLY N N 60 102.559 102.559 104.380 -1.821 18269 271 1 . 1 1 60 60 GLY CA C 60 45.572 45.572 45.175 0.397 18269 272 1 . 1 1 60 60 GLY H H 60 7.562 7.562 7.862 -0.300 18269 273 1 . 1 1 61 61 ALA N N 61 120.327 120.327 124.069 -3.742 18269 274 1 . 1 1 61 61 ALA HA H 61 4.401 4.401 4.388 0.013 18269 275 1 . 1 1 61 61 ALA CA C 61 51.265 51.265 51.870 -0.605 18269 276 1 . 1 1 61 61 ALA CB C 61 20.337 20.337 19.084 1.253 18269 277 1 . 1 1 61 61 ALA H H 61 7.995 7.995 7.807 0.188 18269 278 1 . 1 1 62 62 THR N N 62 106.895 106.895 112.144 -5.249 18269 279 1 . 1 1 62 62 THR HA H 62 4.518 4.518 4.227 0.291 18269 280 1 . 1 1 62 62 THR CA C 62 59.982 59.982 61.584 -1.602 18269 281 1 . 1 1 62 62 THR CB C 62 70.540 70.540 70.140 0.400 18269 282 1 . 1 1 62 62 THR H H 62 7.156 7.156 7.760 -0.604 18269 283 1 . 1 1 63 63 LYS N N 63 121.251 121.251 122.432 -1.181 18269 284 1 . 1 1 63 63 LYS HA H 63 4.097 4.097 4.191 -0.094 18269 285 1 . 1 1 63 63 LYS CA C 63 58.272 58.272 57.403 0.869 18269 286 1 . 1 1 63 63 LYS CB C 63 32.155 32.155 32.066 0.089 18269 287 1 . 1 1 63 63 LYS H H 63 8.626 8.626 8.426 0.200 18269 288 1 . 1 1 64 64 ASP N N 64 116.607 116.607 118.075 -1.468 18269 289 1 . 1 1 64 64 ASP HA H 64 4.557 4.557 4.648 -0.091 18269 290 1 . 1 1 64 64 ASP CA C 64 53.902 53.902 54.388 -0.486 18269 291 1 . 1 1 64 64 ASP CB C 64 40.106 40.106 41.594 -1.488 18269 292 1 . 1 1 64 64 ASP H H 64 8.441 8.441 8.030 0.411 18269 293 1 . 1 1 65 65 ALA N N 65 122.486 122.486 122.008 0.478 18269 294 1 . 1 1 65 65 ALA HA H 65 4.085 4.085 4.497 -0.412 18269 295 1 . 1 1 65 65 ALA CA C 65 52.549 52.549 51.354 1.195 18269 296 1 . 1 1 65 65 ALA CB C 65 19.557 19.557 20.465 -0.908 18269 297 1 . 1 1 65 65 ALA H H 65 7.368 7.368 7.556 -0.188 18269 298 1 . 1 1 66 66 ALA N N 66 124.171 124.171 122.121 2.050 18269 299 1 . 1 1 66 66 ALA HA H 66 4.444 4.444 4.348 0.096 18269 300 1 . 1 1 66 66 ALA CA C 66 52.471 52.471 52.245 0.226 18269 301 1 . 1 1 66 66 ALA CB C 66 19.265 19.265 18.894 0.371 18269 302 1 . 1 1 66 66 ALA H H 66 8.300 8.300 8.486 -0.186 18269 303 1 . 1 1 67 67 THR N N 67 111.638 111.638 117.320 -5.682 18269 304 1 . 1 1 67 67 THR HA H 67 4.496 4.496 4.126 0.370 18269 305 1 . 1 1 67 67 THR CA C 67 60.881 60.881 64.326 -3.445 18269 306 1 . 1 1 67 67 THR CB C 67 70.199 70.199 69.053 1.145 18269 307 1 . 1 1 67 67 THR H H 67 7.730 7.730 8.431 -0.701 18269 308 1 . 1 1 68 68 LYS N N 68 121.732 121.732 121.900 -0.168 18269 309 1 . 1 1 68 68 LYS HA H 68 4.536 4.536 4.149 0.387 18269 310 1 . 1 1 68 68 LYS CA C 68 56.562 56.562 58.788 -2.226 18269 311 1 . 1 1 68 68 LYS CB C 68 33.099 33.099 32.103 0.996 18269 312 1 . 1 1 68 68 LYS H H 68 8.502 8.502 8.166 0.336 18269 313 1 . 1 1 69 69 ILE HA H 69 4.339 4.339 3.938 0.401 18269 314 1 . 1 1 69 69 ILE CA C 69 61.706 61.706 63.146 -1.440 18269 315 1 . 1 1 69 69 ILE CB C 69 37.800 37.800 37.785 0.015 18269 316 1 . 1 1 70 70 LEU HA H 70 4.131 4.131 4.071 0.060 18269 317 1 . 1 1 70 70 LEU CA C 70 58.616 58.616 57.897 0.719 18269 318 1 . 1 1 70 70 LEU CB C 70 41.738 41.738 41.583 0.155 18269 319 1 . 1 1 71 71 SER HA H 71 4.817 4.817 4.280 0.537 18269 320 1 . 1 1 71 71 SER CA C 71 60.667 60.667 61.133 -0.466 18269 321 1 . 1 1 71 71 SER CB C 71 62.646 62.646 62.772 -0.126 18269 322 1 . 1 1 72 72 GLU HA H 72 4.264 4.264 4.156 0.108 18269 323 1 . 1 1 72 72 GLU CA C 72 56.629 56.629 58.655 -2.026 18269 324 1 . 1 1 72 72 GLU CB C 72 28.247 28.247 29.396 -1.149 18269 325 1 . 1 1 73 73 VAL N N 73 114.786 114.786 118.009 -3.223 18269 326 1 . 1 1 73 73 VAL HA H 73 4.102 4.102 3.945 0.157 18269 327 1 . 1 1 73 73 VAL CA C 73 63.741 63.741 65.589 -1.848 18269 328 1 . 1 1 73 73 VAL CB C 73 33.265 33.265 31.989 1.276 18269 329 1 . 1 1 73 73 VAL H H 73 7.812 7.812 7.763 0.049 18269 330 1 . 1 1 74 74 THR HA H 74 3.767 3.767 3.965 -0.198 18269 331 1 . 1 1 74 74 THR CA C 74 65.584 65.584 66.214 -0.630 18269 332 1 . 1 1 74 74 THR CB C 74 67.470 67.470 68.529 -1.059 18269 333 1 . 1 1 75 75 ARG HA H 75 4.246 4.246 4.192 0.054 18269 334 1 . 1 1 75 75 ARG CA C 75 61.383 61.383 60.319 1.064 18269 335 1 . 1 1 75 75 ARG CB C 75 28.620 28.620 27.911 0.709 18269 336 1 . 1 1 76 76 PRO HA H 76 4.485 4.485 4.367 0.118 18269 337 1 . 1 1 76 76 PRO CA C 76 65.697 65.697 65.223 0.474 18269 338 1 . 1 1 76 76 PRO CB C 76 30.895 30.895 31.506 -0.611 18269 339 1 . 1 1 77 77 MET N N 77 117.583 117.583 115.569 2.014 18269 340 1 . 1 1 77 77 MET HA H 77 4.684 4.684 4.346 0.338 18269 341 1 . 1 1 77 77 MET CA C 77 59.347 59.347 56.281 3.066 18269 342 1 . 1 1 77 77 MET CB C 77 32.996 32.996 31.523 1.473 18269 343 1 . 1 1 77 77 MET H H 77 7.685 7.685 8.169 -0.484 18269 344 1 . 1 1 78 78 SER N N 78 114.578 114.578 113.880 0.698 18269 345 1 . 1 1 78 78 SER HA H 78 4.226 4.226 4.288 -0.062 18269 346 1 . 1 1 78 78 SER CA C 78 61.922 61.922 60.000 1.922 18269 347 1 . 1 1 78 78 SER CB C 78 62.406 62.406 63.675 -1.269 18269 348 1 . 1 1 78 78 SER H H 78 8.285 8.285 7.669 0.616 18269 349 1 . 1 1 79 79 VAL N N 79 111.248 111.248 118.001 -6.753 18269 350 1 . 1 1 79 79 VAL HA H 79 4.751 4.751 4.201 0.550 18269 351 1 . 1 1 79 79 VAL CA C 79 60.126 60.126 60.201 -0.075 18269 352 1 . 1 1 79 79 VAL CB C 79 30.346 30.346 34.598 -4.252 18269 353 1 . 1 1 79 79 VAL H H 79 7.004 7.004 7.394 -0.390 18269 354 1 . 1 1 80 80 HIS N N 80 116.703 116.703 122.480 -5.777 18269 355 1 . 1 1 80 80 HIS HA H 80 4.116 4.116 4.737 -0.621 18269 356 1 . 1 1 80 80 HIS CA C 80 56.826 56.826 57.536 -0.710 18269 357 1 . 1 1 80 80 HIS CB C 80 25.889 25.889 29.691 -3.802 18269 358 1 . 1 1 80 80 HIS H H 80 8.289 8.289 8.498 -0.209 18269 359 1 . 1 1 81 81 MET N N 81 120.978 120.978 122.688 -1.710 18269 360 1 . 1 1 81 81 MET HA H 81 4.512 4.512 4.738 -0.226 18269 361 1 . 1 1 81 81 MET CA C 81 55.007 55.007 53.371 1.636 18269 362 1 . 1 1 81 81 MET CB C 81 33.265 33.265 33.650 -0.385 18269 363 1 . 1 1 81 81 MET H H 81 8.006 8.006 8.419 -0.413 18269 364 1 . 1 1 82 82 PRO HA H 82 4.341 4.341 4.182 0.159 18269 365 1 . 1 1 82 82 PRO CA C 82 63.236 63.236 64.698 -1.462 18269 366 1 . 1 1 82 82 PRO CB C 82 32.663 32.663 30.676 1.987 18269 367 1 . 1 1 83 83 ALA N N 83 126.545 126.545 120.934 5.611 18269 368 1 . 1 1 83 83 ALA HA H 83 3.946 3.946 3.864 0.082 18269 369 1 . 1 1 83 83 ALA CA C 83 55.973 55.973 55.059 0.914 18269 370 1 . 1 1 83 83 ALA CB C 83 19.475 19.475 18.228 1.247 18269 371 1 . 1 1 83 83 ALA H H 83 9.196 9.196 8.089 1.107 18269 372 1 . 1 1 84 84 MET N N 84 114.734 114.734 116.575 -1.841 18269 373 1 . 1 1 84 84 MET HA H 84 4.024 4.024 4.422 -0.398 18269 374 1 . 1 1 84 84 MET CA C 84 58.812 58.812 58.000 0.812 18269 375 1 . 1 1 84 84 MET CB C 84 32.242 32.242 31.838 0.404 18269 376 1 . 1 1 84 84 MET H H 84 9.289 9.289 7.957 1.332 18269 377 1 . 1 1 85 85 LYS N N 85 116.490 116.490 119.292 -2.802 18269 378 1 . 1 1 85 85 LYS HA H 85 4.174 4.174 4.279 -0.105 18269 379 1 . 1 1 85 85 LYS CA C 85 58.116 58.116 58.471 -0.355 18269 380 1 . 1 1 85 85 LYS CB C 85 31.793 31.793 32.137 -0.344 18269 381 1 . 1 1 85 85 LYS H H 85 6.997 6.997 8.364 -1.367 18269 382 1 . 1 1 86 86 ILE N N 86 120.561 120.561 120.598 -0.037 18269 383 1 . 1 1 86 86 ILE HA H 86 3.615 3.615 3.692 -0.077 18269 384 1 . 1 1 86 86 ILE CA C 86 66.278 66.278 64.848 1.430 18269 385 1 . 1 1 86 86 ILE CB C 86 37.520 37.520 37.744 -0.224 18269 386 1 . 1 1 86 86 ILE H H 86 7.875 7.875 7.613 0.262 18269 387 1 . 1 1 87 87 CYS N N 87 117.323 117.323 118.801 -1.478 18269 388 1 . 1 1 87 87 CYS HA H 87 4.076 4.076 4.127 -0.051 18269 389 1 . 1 1 87 87 CYS CA C 87 61.060 61.060 61.919 -0.859 18269 390 1 . 1 1 87 87 CYS CB C 87 42.733 42.733 25.825 16.908 18269 391 1 . 1 1 87 87 CYS H H 87 8.643 8.643 7.883 0.760 18269 392 1 . 1 1 88 88 GLU N N 88 118.070 118.070 120.036 -1.966 18269 393 1 . 1 1 88 88 GLU HA H 88 3.948 3.948 4.051 -0.103 18269 394 1 . 1 1 88 88 GLU CA C 88 59.763 59.763 59.002 0.761 18269 395 1 . 1 1 88 88 GLU CB C 88 29.764 29.764 29.394 0.370 18269 396 1 . 1 1 88 88 GLU H H 88 8.045 8.045 7.867 0.178 18269 397 1 . 1 1 89 89 LYS N N 89 119.719 119.719 119.569 0.150 18269 398 1 . 1 1 89 89 LYS HA H 89 4.138 4.138 4.108 0.030 18269 399 1 . 1 1 89 89 LYS CA C 89 59.130 59.130 58.893 0.237 18269 400 1 . 1 1 89 89 LYS CB C 89 31.703 31.703 32.414 -0.711 18269 401 1 . 1 1 89 89 LYS H H 89 7.530 7.530 7.986 -0.456 18269 402 1 . 1 1 90 90 LEU N N 90 119.550 119.550 119.926 -0.376 18269 403 1 . 1 1 90 90 LEU HA H 90 3.965 3.965 4.068 -0.103 18269 404 1 . 1 1 90 90 LEU CA C 90 57.343 57.343 57.173 0.170 18269 405 1 . 1 1 90 90 LEU CB C 90 40.991 40.991 41.489 -0.498 18269 406 1 . 1 1 90 90 LEU H H 90 8.422 8.422 8.168 0.254 18269 407 1 . 1 1 91 91 LYS N N 91 119.180 119.180 118.533 0.647 18269 408 1 . 1 1 91 91 LYS HA H 91 3.862 3.862 4.280 -0.418 18269 409 1 . 1 1 91 91 LYS CA C 91 58.605 58.605 58.610 -0.004 18269 410 1 . 1 1 91 91 LYS CB C 91 32.477 32.477 32.000 0.477 18269 411 1 . 1 1 91 91 LYS H H 91 8.218 8.218 7.687 0.531 18269 412 1 . 1 1 92 92 LYS N N 92 113.632 113.632 118.606 -4.974 18269 413 1 . 1 1 92 92 LYS HA H 92 4.053 4.053 4.135 -0.083 18269 414 1 . 1 1 92 92 LYS CA C 92 57.558 57.558 58.263 -0.705 18269 415 1 . 1 1 92 92 LYS CB C 92 31.934 31.934 32.315 -0.381 18269 416 1 . 1 1 92 92 LYS H H 92 6.984 6.984 7.479 -0.495 18269 417 1 . 1 1 93 93 LEU N N 93 119.104 119.104 118.872 0.232 18269 418 1 . 1 1 93 93 LEU HA H 93 4.290 4.290 4.321 -0.031 18269 419 1 . 1 1 93 93 LEU CA C 93 56.104 56.104 56.254 -0.150 18269 420 1 . 1 1 93 93 LEU CB C 93 42.102 42.102 43.112 -1.010 18269 421 1 . 1 1 93 93 LEU H H 93 7.456 7.456 7.546 -0.090 18269 422 1 . 1 1 94 94 ASP N N 94 116.790 116.790 117.183 -0.393 18269 423 1 . 1 1 94 94 ASP HA H 94 4.556 4.556 4.753 -0.197 18269 424 1 . 1 1 94 94 ASP CA C 94 54.366 54.366 53.723 0.644 18269 425 1 . 1 1 94 94 ASP CB C 94 41.173 41.173 42.886 -1.713 18269 426 1 . 1 1 94 94 ASP H H 94 7.911 7.911 8.209 -0.298 18269 427 1 . 1 1 95 95 SER N N 95 122.399 122.399 120.322 2.077 18269 428 1 . 1 1 95 95 SER HA H 95 4.186 4.186 4.315 -0.129 18269 429 1 . 1 1 95 95 SER CA C 95 61.472 61.472 60.502 0.970 18269 430 1 . 1 1 95 95 SER CB C 95 62.568 62.568 63.417 -0.849 18269 431 1 . 1 1 95 95 SER H H 95 8.894 8.894 8.748 0.146 18269 432 1 . 1 1 96 96 GLN N N 96 120.800 120.800 121.757 -0.957 18269 433 1 . 1 1 96 96 GLN HA H 96 3.862 3.862 4.085 -0.223 18269 434 1 . 1 1 96 96 GLN CA C 96 58.151 58.151 57.749 0.402 18269 435 1 . 1 1 96 96 GLN CB C 96 28.417 28.417 28.241 0.176 18269 436 1 . 1 1 96 96 GLN H H 96 8.610 8.610 8.155 0.455 18269 437 1 . 1 1 97 97 ILE N N 97 117.387 117.387 118.560 -1.173 18269 438 1 . 1 1 97 97 ILE HA H 97 3.399 3.399 3.449 -0.050 18269 439 1 . 1 1 97 97 ILE CA C 97 65.831 65.831 63.935 1.896 18269 440 1 . 1 1 97 97 ILE CB C 97 38.274 38.274 37.892 0.381 18269 441 1 . 1 1 97 97 ILE H H 97 7.470 7.470 7.857 -0.387 18269 442 1 . 1 1 98 98 CYS N N 98 113.485 113.485 116.428 -2.943 18269 443 1 . 1 1 98 98 CYS HA H 98 5.071 5.071 4.373 0.698 18269 444 1 . 1 1 98 98 CYS CA C 98 61.973 61.973 59.297 2.676 18269 445 1 . 1 1 98 98 CYS CB C 98 48.586 48.586 27.288 21.298 18269 446 1 . 1 1 98 98 CYS H H 98 7.410 7.410 7.569 -0.159 18269 447 1 . 1 1 99 99 GLU N N 99 119.123 119.123 120.371 -1.248 18269 448 1 . 1 1 99 99 GLU HA H 99 4.323 4.323 4.298 0.025 18269 449 1 . 1 1 99 99 GLU CA C 99 56.726 56.726 56.462 0.264 18269 450 1 . 1 1 99 99 GLU CB C 99 29.979 29.979 28.826 1.153 18269 451 1 . 1 1 99 99 GLU H H 99 7.308 7.308 7.725 -0.417 18269 452 1 . 1 1 100 100 LEU N N 100 115.771 115.771 119.649 -3.878 18269 453 1 . 1 1 100 100 LEU HA H 100 4.297 4.297 4.028 0.269 18269 454 1 . 1 1 100 100 LEU CA C 100 55.682 55.682 55.896 -0.214 18269 455 1 . 1 1 100 100 LEU CB C 100 42.961 42.961 41.970 0.991 18269 456 1 . 1 1 100 100 LEU H H 100 6.496 6.496 7.674 -1.178 18269 457 1 . 1 1 101 101 LYS N N 101 125.672 125.672 115.151 10.521 18269 458 1 . 1 1 101 101 LYS HA H 101 4.594 4.594 4.002 0.592 18269 459 1 . 1 1 101 101 LYS CA C 101 55.350 55.350 56.654 -1.304 18269 460 1 . 1 1 101 101 LYS CB C 101 35.723 35.723 31.526 4.197 18269 461 1 . 1 1 101 101 LYS H H 101 8.575 8.575 7.812 0.763 18269 462 1 . 1 1 102 102 TYR N N 102 120.395 120.395 122.310 -1.915 18269 463 1 . 1 1 102 102 TYR HA H 102 4.382 4.382 4.312 0.070 18269 464 1 . 1 1 102 102 TYR CA C 102 60.024 60.024 59.502 0.522 18269 465 1 . 1 1 102 102 TYR CB C 102 38.328 38.328 38.296 0.032 18269 466 1 . 1 1 102 102 TYR H H 102 8.756 8.756 8.745 0.011 18269 467 1 . 1 1 103 103 GLU N N 103 121.550 121.550 118.999 2.551 18269 468 1 . 1 1 103 103 GLU HA H 103 4.392 4.392 4.250 0.142 18269 469 1 . 1 1 103 103 GLU CA C 103 56.327 56.327 57.144 -0.817 18269 470 1 . 1 1 103 103 GLU CB C 103 30.302 30.302 29.153 1.149 18269 471 1 . 1 1 103 103 GLU H H 103 8.835 8.835 8.601 0.234 18269 472 1 . 1 1 104 104 LYS N N 104 122.957 122.957 119.801 3.156 18269 473 1 . 1 1 104 104 LYS HA H 104 4.461 4.461 4.241 0.220 18269 474 1 . 1 1 104 104 LYS CA C 104 56.274 56.274 57.008 -0.734 18269 475 1 . 1 1 104 104 LYS CB C 104 33.047 33.047 32.139 0.908 18269 476 1 . 1 1 104 104 LYS H H 104 8.490 8.490 8.381 0.109 18269 stop_ save_