data_17762 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17762 _Entry.PDB_ID 2LFJ 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 17762 _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 2 126.119 126.119 120.882 5.237 17762 2 1 1 . 1 1 2 2 GLU HA H 2 4.370 4.370 4.488 -0.118 17762 3 1 1 . 1 1 2 2 GLU CA C 2 53.440 53.440 55.651 -2.211 17762 4 1 1 . 1 1 2 2 GLU CB C 2 29.147 29.147 31.064 -1.917 17762 5 1 1 . 1 1 2 2 GLU H H 2 8.448 8.448 8.527 -0.079 17762 6 1 1 . 1 1 3 3 SER N N 3 124.530 124.530 118.733 5.797 17762 7 1 1 . 1 1 3 3 SER HA H 3 4.500 4.500 4.397 0.103 17762 8 1 1 . 1 1 3 3 SER CA C 3 54.907 54.907 57.777 -2.870 17762 9 1 1 . 1 1 3 3 SER CB C 3 62.511 62.511 61.897 0.614 17762 10 1 1 . 1 1 3 3 SER H H 3 8.755 8.755 8.655 0.100 17762 11 1 1 . 1 1 4 4 ALA N N 4 125.341 125.341 124.611 0.730 17762 12 1 1 . 1 1 4 4 ALA HA H 4 4.216 4.216 3.843 0.373 17762 13 1 1 . 1 1 4 4 ALA CA C 4 52.858 52.858 54.548 -1.690 17762 14 1 1 . 1 1 4 4 ALA CB C 4 15.389 15.389 17.202 -1.813 17762 15 1 1 . 1 1 4 4 ALA H H 4 8.961 8.961 8.278 0.683 17762 16 1 1 . 1 1 5 5 ALA N N 5 121.896 121.896 122.795 -0.899 17762 17 1 1 . 1 1 5 5 ALA HA H 5 4.375 4.375 4.245 0.130 17762 18 1 1 . 1 1 5 5 ALA CA C 5 52.565 52.565 55.381 -2.816 17762 19 1 1 . 1 1 5 5 ALA CB C 5 15.974 15.974 18.564 -2.590 17762 20 1 1 . 1 1 5 5 ALA H H 5 8.659 8.659 8.382 0.277 17762 21 1 1 . 1 1 6 6 ALA N N 6 123.734 123.734 121.110 2.624 17762 22 1 1 . 1 1 6 6 ALA HA H 6 4.216 4.216 4.072 0.144 17762 23 1 1 . 1 1 6 6 ALA CA C 6 52.272 52.272 55.177 -2.905 17762 24 1 1 . 1 1 6 6 ALA CB C 6 15.389 15.389 17.977 -2.588 17762 25 1 1 . 1 1 6 6 ALA H H 6 8.009 8.009 8.624 -0.615 17762 26 1 1 . 1 1 7 7 LYS N N 7 123.118 123.118 119.845 3.273 17762 27 1 1 . 1 1 7 7 LYS HA H 7 4.025 4.025 4.075 -0.050 17762 28 1 1 . 1 1 7 7 LYS CA C 7 57.834 57.834 58.778 -0.944 17762 29 1 1 . 1 1 7 7 LYS CB C 7 29.732 29.732 32.166 -2.434 17762 30 1 1 . 1 1 7 7 LYS H H 7 8.737 8.737 7.622 1.115 17762 31 1 1 . 1 1 8 8 PHE N N 8 120.604 120.604 121.820 -1.216 17762 32 1 1 . 1 1 8 8 PHE HA H 8 4.388 4.388 4.141 0.247 17762 33 1 1 . 1 1 8 8 PHE CA C 8 59.298 59.298 61.013 -1.715 17762 34 1 1 . 1 1 8 8 PHE CB C 8 36.465 36.465 38.557 -2.092 17762 35 1 1 . 1 1 8 8 PHE H H 8 8.058 8.058 8.687 -0.629 17762 36 1 1 . 1 1 9 9 GLU N N 9 119.978 119.978 119.042 0.936 17762 37 1 1 . 1 1 9 9 GLU HA H 9 3.742 3.742 3.228 0.514 17762 38 1 1 . 1 1 9 9 GLU CA C 9 58.127 58.127 59.007 -0.880 17762 39 1 1 . 1 1 9 9 GLU CB C 9 35.001 35.001 29.434 5.567 17762 40 1 1 . 1 1 9 9 GLU H H 9 7.922 7.922 8.442 -0.520 17762 41 1 1 . 1 1 10 10 ARG N N 10 120.914 120.914 116.966 3.948 17762 42 1 1 . 1 1 10 10 ARG HA H 10 4.197 4.197 3.981 0.216 17762 43 1 1 . 1 1 10 10 ARG CA C 10 56.663 56.663 57.555 -0.892 17762 44 1 1 . 1 1 10 10 ARG CB C 10 27.683 27.683 29.597 -1.914 17762 45 1 1 . 1 1 10 10 ARG H H 10 8.323 8.323 8.123 0.200 17762 46 1 1 . 1 1 11 11 GLN N N 11 112.201 112.201 114.333 -2.132 17762 47 1 1 . 1 1 11 11 GLN HA H 11 3.787 3.787 4.021 -0.234 17762 48 1 1 . 1 1 11 11 GLN CA C 11 55.492 55.492 57.582 -2.090 17762 49 1 1 . 1 1 11 11 GLN CB C 11 26.805 26.805 29.393 -2.588 17762 50 1 1 . 1 1 11 11 GLN H H 11 8.425 8.425 7.932 0.493 17762 51 1 1 . 1 1 12 12 HIS N N 12 106.607 106.607 115.850 -9.243 17762 52 1 1 . 1 1 12 12 HIS HA H 12 4.943 4.943 4.464 0.479 17762 53 1 1 . 1 1 12 12 HIS CA C 12 52.272 52.272 56.265 -3.993 17762 54 1 1 . 1 1 12 12 HIS CB C 12 27.680 27.680 32.877 -5.197 17762 55 1 1 . 1 1 12 12 HIS H H 12 7.708 7.708 7.720 -0.012 17762 56 1 1 . 1 1 13 13 MET N N 13 117.217 117.217 121.966 -4.749 17762 57 1 1 . 1 1 13 13 MET HA H 13 5.460 5.460 4.365 1.095 17762 58 1 1 . 1 1 13 13 MET CA C 13 50.516 50.516 52.000 -1.484 17762 59 1 1 . 1 1 13 13 MET CB C 13 27.098 27.098 30.433 -3.335 17762 60 1 1 . 1 1 13 13 MET H H 13 8.037 8.037 7.931 0.106 17762 61 1 1 . 1 1 14 14 ASP N N 14 123.910 123.910 126.887 -2.977 17762 62 1 1 . 1 1 14 14 ASP HA H 14 5.024 5.024 4.096 0.928 17762 63 1 1 . 1 1 14 14 ASP CA C 14 51.101 51.101 56.342 -5.241 17762 64 1 1 . 1 1 14 14 ASP CB C 14 37.636 37.636 41.287 -3.651 17762 65 1 1 . 1 1 14 14 ASP H H 14 8.805 8.805 8.339 0.466 17762 66 1 1 . 1 1 15 15 SER N N 15 121.832 121.832 110.055 11.777 17762 67 1 1 . 1 1 15 15 SER HA H 15 4.202 4.202 3.951 0.251 17762 68 1 1 . 1 1 15 15 SER CA C 15 58.127 58.127 59.344 -1.217 17762 69 1 1 . 1 1 15 15 SER CB C 15 61.347 61.347 63.142 -1.795 17762 70 1 1 . 1 1 15 15 SER H H 15 8.943 8.943 7.802 1.141 17762 71 1 1 . 1 1 16 16 GLY N N 16 111.703 111.703 108.826 2.877 17762 72 1 1 . 1 1 16 16 GLY CA C 16 42.905 42.905 44.925 -2.020 17762 73 1 1 . 1 1 16 16 GLY H H 16 8.586 8.586 8.150 0.436 17762 74 1 1 . 1 1 17 17 ASN N N 17 119.334 119.334 121.175 -1.841 17762 75 1 1 . 1 1 17 17 ASN HA H 17 4.660 4.660 4.671 -0.011 17762 76 1 1 . 1 1 17 17 ASN CA C 17 50.223 50.223 54.179 -3.956 17762 77 1 1 . 1 1 17 17 ASN CB C 17 37.346 37.346 38.753 -1.407 17762 78 1 1 . 1 1 17 17 ASN H H 17 7.983 7.983 8.485 -0.502 17762 79 1 1 . 1 1 18 18 SER N N 18 117.557 117.557 118.696 -1.139 17762 80 1 1 . 1 1 18 18 SER HA H 18 4.187 4.187 4.684 -0.497 17762 81 1 1 . 1 1 18 18 SER CA C 18 53.443 53.443 56.883 -3.440 17762 82 1 1 . 1 1 18 18 SER CB C 18 60.468 60.468 64.230 -3.762 17762 83 1 1 . 1 1 18 18 SER H H 18 8.291 8.291 8.362 -0.071 17762 84 1 1 . 1 1 19 19 PRO HA H 19 4.204 4.204 4.775 -0.571 17762 85 1 1 . 1 1 19 19 PRO CA C 19 60.468 60.468 62.630 -2.162 17762 86 1 1 . 1 1 19 19 PRO CB C 19 29.147 29.147 30.398 -1.250 17762 87 1 1 . 1 1 20 20 SER N N 20 115.589 115.589 117.507 -1.918 17762 88 1 1 . 1 1 20 20 SER HA H 20 4.370 4.370 4.538 -0.168 17762 89 1 1 . 1 1 20 20 SER CA C 20 54.907 54.907 57.377 -2.470 17762 90 1 1 . 1 1 20 20 SER CB C 20 61.347 61.347 64.965 -3.618 17762 91 1 1 . 1 1 20 20 SER H H 20 8.118 8.118 7.977 0.141 17762 92 1 1 . 1 1 21 21 SER N N 21 118.787 118.787 116.579 2.208 17762 93 1 1 . 1 1 21 21 SER HA H 21 4.398 4.398 4.028 0.370 17762 94 1 1 . 1 1 21 21 SER CA C 21 56.370 56.370 60.302 -3.932 17762 95 1 1 . 1 1 21 21 SER CB C 21 61.639 61.639 62.607 -0.968 17762 96 1 1 . 1 1 21 21 SER H H 21 8.406 8.406 8.668 -0.262 17762 97 1 1 . 1 1 22 22 SER N N 22 116.967 116.967 112.580 4.387 17762 98 1 1 . 1 1 22 22 SER HA H 22 4.579 4.579 4.436 0.143 17762 99 1 1 . 1 1 22 22 SER CA C 22 56.076 56.076 59.137 -3.061 17762 100 1 1 . 1 1 22 22 SER CB C 22 61.054 61.054 62.514 -1.460 17762 101 1 1 . 1 1 22 22 SER H H 22 8.278 8.278 8.366 -0.088 17762 102 1 1 . 1 1 23 23 SER N N 23 119.166 119.166 122.612 -3.446 17762 103 1 1 . 1 1 23 23 SER HA H 23 4.520 4.520 4.172 0.348 17762 104 1 1 . 1 1 23 23 SER CA C 23 57.956 57.956 61.044 -3.088 17762 105 1 1 . 1 1 23 23 SER CB C 23 61.639 61.639 62.689 -1.050 17762 106 1 1 . 1 1 23 23 SER H H 23 8.376 8.376 8.547 -0.171 17762 107 1 1 . 1 1 24 24 ASN N N 24 120.511 120.511 121.393 -0.882 17762 108 1 1 . 1 1 24 24 ASN HA H 24 4.940 4.940 4.302 0.638 17762 109 1 1 . 1 1 24 24 ASN CA C 24 50.516 50.516 56.608 -6.092 17762 110 1 1 . 1 1 24 24 ASN CB C 24 36.758 36.758 37.676 -0.918 17762 111 1 1 . 1 1 24 24 ASN H H 24 8.483 8.483 7.704 0.779 17762 112 1 1 . 1 1 25 25 TYR N N 25 121.549 121.549 118.648 2.901 17762 113 1 1 . 1 1 25 25 TYR HA H 25 3.941 3.941 4.253 -0.312 17762 114 1 1 . 1 1 25 25 TYR CA C 25 59.883 59.883 61.203 -1.320 17762 115 1 1 . 1 1 25 25 TYR CB C 25 36.465 36.465 37.019 -0.554 17762 116 1 1 . 1 1 25 25 TYR H H 25 7.765 7.765 7.164 0.601 17762 117 1 1 . 1 1 26 26 CYS N N 26 115.301 115.301 118.523 -3.222 17762 118 1 1 . 1 1 26 26 CYS HA H 26 3.784 3.784 3.542 0.242 17762 119 1 1 . 1 1 26 26 CYS CA C 26 59.005 59.005 62.842 -3.837 17762 120 1 1 . 1 1 26 26 CYS CB C 26 37.636 37.636 25.773 11.863 17762 121 1 1 . 1 1 26 26 CYS H H 26 7.800 7.800 7.849 -0.049 17762 122 1 1 . 1 1 27 27 ASN N N 27 120.386 120.386 117.460 2.926 17762 123 1 1 . 1 1 27 27 ASN HA H 27 4.376 4.376 4.457 -0.081 17762 124 1 1 . 1 1 27 27 ASN CA C 27 53.736 53.736 56.441 -2.705 17762 125 1 1 . 1 1 27 27 ASN CB C 27 34.416 34.416 38.461 -4.045 17762 126 1 1 . 1 1 27 27 ASN H H 27 7.774 7.774 8.311 -0.537 17762 127 1 1 . 1 1 28 28 LEU N N 28 120.114 120.114 122.971 -2.857 17762 128 1 1 . 1 1 28 28 LEU HA H 28 4.085 4.085 4.039 0.046 17762 129 1 1 . 1 1 28 28 LEU CA C 28 55.199 55.199 58.436 -3.237 17762 130 1 1 . 1 1 28 28 LEU CB C 28 39.978 39.978 41.409 -1.431 17762 131 1 1 . 1 1 28 28 LEU H H 28 7.434 7.434 8.711 -1.277 17762 132 1 1 . 1 1 29 29 MET N N 29 118.101 118.101 118.367 -0.266 17762 133 1 1 . 1 1 29 29 MET HA H 29 4.189 4.189 3.932 0.257 17762 134 1 1 . 1 1 29 29 MET CA C 29 53.443 53.443 59.413 -5.970 17762 135 1 1 . 1 1 29 29 MET CB C 29 28.269 28.269 32.563 -4.294 17762 136 1 1 . 1 1 29 29 MET H H 29 8.474 8.474 8.675 -0.201 17762 137 1 1 . 1 1 30 30 MET N N 30 116.980 116.980 118.037 -1.057 17762 138 1 1 . 1 1 30 30 MET HA H 30 4.308 4.308 4.017 0.291 17762 139 1 1 . 1 1 30 30 MET CA C 30 54.614 54.614 58.203 -3.589 17762 140 1 1 . 1 1 30 30 MET CB C 30 27.098 27.098 30.871 -3.773 17762 141 1 1 . 1 1 30 30 MET H H 30 8.672 8.672 7.754 0.918 17762 142 1 1 . 1 1 31 31 CYS N N 31 116.217 116.217 120.057 -3.840 17762 143 1 1 . 1 1 31 31 CYS HA H 31 4.713 4.713 4.169 0.544 17762 144 1 1 . 1 1 31 31 CYS CA C 31 55.786 55.786 62.565 -6.779 17762 145 1 1 . 1 1 31 31 CYS CB C 31 39.392 39.392 27.749 11.643 17762 146 1 1 . 1 1 31 31 CYS H H 31 6.592 6.592 8.759 -2.167 17762 147 1 1 . 1 1 32 32 CYS N N 32 124.056 124.056 120.201 3.855 17762 148 1 1 . 1 1 32 32 CYS HA H 32 4.410 4.410 4.049 0.361 17762 149 1 1 . 1 1 32 32 CYS CA C 32 56.078 56.078 62.365 -6.287 17762 150 1 1 . 1 1 32 32 CYS CB C 32 37.343 37.343 27.975 9.368 17762 151 1 1 . 1 1 32 32 CYS H H 32 9.448 9.448 8.750 0.698 17762 152 1 1 . 1 1 33 33 ARG N N 33 116.829 116.829 117.780 -0.951 17762 153 1 1 . 1 1 33 33 ARG HA H 33 4.467 4.467 4.438 0.029 17762 154 1 1 . 1 1 33 33 ARG CA C 33 50.809 50.809 54.623 -3.814 17762 155 1 1 . 1 1 33 33 ARG CB C 33 26.220 26.220 30.013 -3.793 17762 156 1 1 . 1 1 33 33 ARG H H 33 8.099 8.099 8.117 -0.018 17762 157 1 1 . 1 1 34 34 LYS N N 34 111.068 111.068 118.812 -7.744 17762 158 1 1 . 1 1 34 34 LYS HA H 34 4.360 4.360 4.137 0.223 17762 159 1 1 . 1 1 34 34 LYS CA C 34 54.321 54.321 57.193 -2.872 17762 160 1 1 . 1 1 34 34 LYS CB C 34 25.634 25.634 30.385 -4.751 17762 161 1 1 . 1 1 34 34 LYS H H 34 7.690 7.690 8.057 -0.367 17762 162 1 1 . 1 1 35 35 MET N N 35 116.639 116.639 114.631 2.008 17762 163 1 1 . 1 1 35 35 MET HA H 35 4.749 4.749 4.504 0.245 17762 164 1 1 . 1 1 35 35 MET CA C 35 53.443 53.443 55.244 -1.801 17762 165 1 1 . 1 1 35 35 MET CB C 35 30.903 30.903 32.401 -1.498 17762 166 1 1 . 1 1 35 35 MET H H 35 8.195 8.195 8.445 -0.250 17762 167 1 1 . 1 1 36 36 THR N N 36 107.641 107.641 113.533 -5.892 17762 168 1 1 . 1 1 36 36 THR HA H 36 5.292 5.292 4.349 0.943 17762 169 1 1 . 1 1 36 36 THR CA C 36 58.127 58.127 62.030 -3.903 17762 170 1 1 . 1 1 36 36 THR CB C 36 66.030 66.030 67.010 -0.980 17762 171 1 1 . 1 1 36 36 THR H H 36 7.562 7.562 7.893 -0.331 17762 172 1 1 . 1 1 37 37 GLN N N 37 121.079 121.079 121.984 -0.905 17762 173 1 1 . 1 1 37 37 GLN HA H 37 4.554 4.554 4.475 0.079 17762 174 1 1 . 1 1 37 37 GLN CA C 37 52.858 52.858 55.923 -3.065 17762 175 1 1 . 1 1 37 37 GLN CB C 37 26.220 26.220 29.488 -3.268 17762 176 1 1 . 1 1 37 37 GLN H H 37 7.334 7.334 7.795 -0.461 17762 177 1 1 . 1 1 38 38 GLY N N 38 118.390 118.390 108.827 9.563 17762 178 1 1 . 1 1 38 38 GLY CA C 38 43.783 43.783 46.995 -3.212 17762 179 1 1 . 1 1 38 38 GLY H H 38 8.345 8.345 8.713 -0.368 17762 180 1 1 . 1 1 39 39 LYS N N 39 116.961 116.961 118.654 -1.693 17762 181 1 1 . 1 1 39 39 LYS HA H 39 3.555 3.555 4.231 -0.676 17762 182 1 1 . 1 1 39 39 LYS CA C 39 52.272 52.272 53.474 -1.202 17762 183 1 1 . 1 1 39 39 LYS CB C 39 31.196 31.196 34.272 -3.076 17762 184 1 1 . 1 1 39 39 LYS H H 39 7.222 7.222 7.435 -0.213 17762 185 1 1 . 1 1 40 40 CYS N N 40 119.480 119.480 118.538 0.942 17762 186 1 1 . 1 1 40 40 CYS HA H 40 4.787 4.787 5.043 -0.256 17762 187 1 1 . 1 1 40 40 CYS CA C 40 50.809 50.809 55.927 -5.118 17762 188 1 1 . 1 1 40 40 CYS CB C 40 34.101 34.101 28.694 5.407 17762 189 1 1 . 1 1 40 40 CYS H H 40 8.891 8.891 8.898 -0.007 17762 190 1 1 . 1 1 41 41 LYS N N 41 130.320 130.320 122.735 7.585 17762 191 1 1 . 1 1 41 41 LYS HA H 41 4.550 4.550 4.712 -0.162 17762 192 1 1 . 1 1 41 41 LYS CA C 41 53.443 53.443 53.691 -0.248 17762 193 1 1 . 1 1 41 41 LYS CB C 41 31.489 31.489 31.855 -0.366 17762 194 1 1 . 1 1 41 41 LYS H H 41 7.902 7.902 8.597 -0.695 17762 195 1 1 . 1 1 42 42 PRO HA H 42 4.600 4.600 4.263 0.337 17762 196 1 1 . 1 1 42 42 PRO CA C 42 63.981 63.981 64.356 -0.375 17762 197 1 1 . 1 1 42 42 PRO CB C 42 29.732 29.732 32.202 -2.470 17762 198 1 1 . 1 1 43 43 VAL N N 43 111.738 111.738 111.718 0.020 17762 199 1 1 . 1 1 43 43 VAL HA H 43 5.302 5.302 5.205 0.097 17762 200 1 1 . 1 1 43 43 VAL CA C 43 56.663 56.663 59.237 -2.574 17762 201 1 1 . 1 1 43 43 VAL CB C 43 32.952 32.952 36.185 -3.233 17762 202 1 1 . 1 1 43 43 VAL H H 43 6.967 6.967 7.514 -0.547 17762 203 1 1 . 1 1 44 44 ASN N N 44 120.558 120.558 120.028 0.530 17762 204 1 1 . 1 1 44 44 ASN HA H 44 4.770 4.770 4.995 -0.225 17762 205 1 1 . 1 1 44 44 ASN CA C 44 51.687 51.687 53.138 -1.451 17762 206 1 1 . 1 1 44 44 ASN CB C 44 41.734 41.734 41.748 -0.014 17762 207 1 1 . 1 1 44 44 ASN H H 44 8.741 8.741 9.332 -0.591 17762 208 1 1 . 1 1 45 45 THR N N 45 120.658 120.658 121.578 -0.920 17762 209 1 1 . 1 1 45 45 THR HA H 45 5.142 5.142 4.602 0.540 17762 210 1 1 . 1 1 45 45 THR CA C 45 59.005 59.005 62.252 -3.247 17762 211 1 1 . 1 1 45 45 THR CB C 45 68.079 68.079 68.763 -0.684 17762 212 1 1 . 1 1 45 45 THR H H 45 6.938 6.938 8.688 -1.750 17762 213 1 1 . 1 1 46 46 PHE N N 46 125.168 125.168 127.433 -2.265 17762 214 1 1 . 1 1 46 46 PHE HA H 46 4.916 4.916 4.468 0.448 17762 215 1 1 . 1 1 46 46 PHE CA C 46 54.321 54.321 55.261 -0.940 17762 216 1 1 . 1 1 46 46 PHE CB C 46 26.692 26.692 38.980 -12.288 17762 217 1 1 . 1 1 46 46 PHE H H 46 9.318 9.318 9.055 0.263 17762 218 1 1 . 1 1 47 47 VAL N N 47 121.430 121.430 122.009 -0.579 17762 219 1 1 . 1 1 47 47 VAL HA H 47 4.212 4.212 4.208 0.004 17762 220 1 1 . 1 1 47 47 VAL CA C 47 59.280 59.280 62.427 -3.147 17762 221 1 1 . 1 1 47 47 VAL CB C 47 30.025 30.025 32.053 -2.028 17762 222 1 1 . 1 1 47 47 VAL H H 47 9.333 9.333 8.782 0.551 17762 223 1 1 . 1 1 48 48 HIS N N 48 125.243 125.243 125.245 -0.002 17762 224 1 1 . 1 1 48 48 HIS HA H 48 5.314 5.314 4.750 0.564 17762 225 1 1 . 1 1 48 48 HIS CA C 48 51.979 51.979 55.325 -3.346 17762 226 1 1 . 1 1 48 48 HIS CB C 48 25.634 25.634 30.305 -4.671 17762 227 1 1 . 1 1 48 48 HIS H H 48 8.772 8.772 9.184 -0.412 17762 228 1 1 . 1 1 49 49 GLU N N 49 117.070 117.070 121.286 -4.216 17762 229 1 1 . 1 1 49 49 GLU HA H 49 4.763 4.763 4.544 0.219 17762 230 1 1 . 1 1 49 49 GLU CA C 49 51.101 51.101 54.284 -3.183 17762 231 1 1 . 1 1 49 49 GLU CB C 49 28.269 28.269 33.145 -4.876 17762 232 1 1 . 1 1 49 49 GLU H H 49 6.558 6.558 7.331 -0.773 17762 233 1 1 . 1 1 50 50 SER N N 50 117.468 117.468 117.956 -0.488 17762 234 1 1 . 1 1 50 50 SER HA H 50 4.240 4.240 4.378 -0.138 17762 235 1 1 . 1 1 50 50 SER CA C 50 55.199 55.199 59.180 -3.981 17762 236 1 1 . 1 1 50 50 SER CB C 50 61.932 61.932 62.836 -0.904 17762 237 1 1 . 1 1 50 50 SER H H 50 9.589 9.589 8.746 0.843 17762 238 1 1 . 1 1 51 51 LEU N N 51 124.046 124.046 129.442 -5.396 17762 239 1 1 . 1 1 51 51 LEU HA H 51 4.088 4.088 3.903 0.185 17762 240 1 1 . 1 1 51 51 LEU CA C 51 55.785 55.785 58.256 -2.471 17762 241 1 1 . 1 1 51 51 LEU CB C 51 38.514 38.514 42.007 -3.493 17762 242 1 1 . 1 1 51 51 LEU H H 51 8.783 8.783 8.524 0.259 17762 243 1 1 . 1 1 52 52 ALA N N 52 120.494 120.494 119.764 0.730 17762 244 1 1 . 1 1 52 52 ALA HA H 52 3.959 3.959 3.955 0.004 17762 245 1 1 . 1 1 52 52 ALA CA C 52 52.858 52.858 55.014 -2.155 17762 246 1 1 . 1 1 52 52 ALA CB C 52 15.682 15.682 17.641 -1.959 17762 247 1 1 . 1 1 52 52 ALA H H 52 8.462 8.462 8.207 0.255 17762 248 1 1 . 1 1 53 53 ASP N N 53 120.265 120.265 118.725 1.540 17762 249 1 1 . 1 1 53 53 ASP HA H 53 4.372 4.372 4.369 0.003 17762 250 1 1 . 1 1 53 53 ASP CA C 53 54.907 54.907 57.562 -2.655 17762 251 1 1 . 1 1 53 53 ASP CB C 53 37.050 37.050 40.855 -3.804 17762 252 1 1 . 1 1 53 53 ASP H H 53 7.835 7.835 7.886 -0.051 17762 253 1 1 . 1 1 54 54 VAL N N 54 121.771 121.771 120.363 1.408 17762 254 1 1 . 1 1 54 54 VAL HA H 54 3.703 3.703 3.577 0.126 17762 255 1 1 . 1 1 54 54 VAL CA C 54 64.274 64.274 66.918 -2.644 17762 256 1 1 . 1 1 54 54 VAL CB C 54 29.147 29.147 31.497 -2.350 17762 257 1 1 . 1 1 54 54 VAL H H 54 7.879 7.879 7.532 0.347 17762 258 1 1 . 1 1 55 55 LYS N N 55 119.973 119.973 117.631 2.342 17762 259 1 1 . 1 1 55 55 LYS HA H 55 3.641 3.641 3.975 -0.334 17762 260 1 1 . 1 1 55 55 LYS CA C 55 57.839 57.839 59.728 -1.889 17762 261 1 1 . 1 1 55 55 LYS CB C 55 29.732 29.732 31.905 -2.173 17762 262 1 1 . 1 1 55 55 LYS H H 55 9.000 9.000 7.727 1.273 17762 263 1 1 . 1 1 56 56 ALA N N 56 120.213 120.213 123.838 -3.625 17762 264 1 1 . 1 1 56 56 ALA HA H 56 4.015 4.015 4.252 -0.237 17762 265 1 1 . 1 1 56 56 ALA CA C 56 51.394 51.394 54.567 -3.173 17762 266 1 1 . 1 1 56 56 ALA CB C 56 14.803 14.803 18.531 -3.728 17762 267 1 1 . 1 1 56 56 ALA H H 56 7.534 7.534 7.727 -0.193 17762 268 1 1 . 1 1 57 57 VAL N N 57 121.006 121.006 120.157 0.849 17762 269 1 1 . 1 1 57 57 VAL HA H 57 3.203 3.203 3.586 -0.383 17762 270 1 1 . 1 1 57 57 VAL CA C 57 63.396 63.396 67.002 -3.606 17762 271 1 1 . 1 1 57 57 VAL CB C 57 28.561 28.561 30.790 -2.228 17762 272 1 1 . 1 1 57 57 VAL H H 57 7.575 7.575 8.571 -0.996 17762 273 1 1 . 1 1 58 58 CYS N N 58 113.037 113.037 117.318 -4.281 17762 274 1 1 . 1 1 58 58 CYS HA H 58 3.520 3.520 3.979 -0.460 17762 275 1 1 . 1 1 58 58 CYS CA C 58 51.979 51.979 61.476 -9.497 17762 276 1 1 . 1 1 58 58 CYS CB C 58 36.465 36.465 26.524 9.941 17762 277 1 1 . 1 1 58 58 CYS H H 58 6.809 6.809 8.216 -1.407 17762 278 1 1 . 1 1 59 59 SER N N 59 113.164 113.164 113.832 -0.668 17762 279 1 1 . 1 1 59 59 SER HA H 59 4.569 4.569 4.325 0.244 17762 280 1 1 . 1 1 59 59 SER CA C 59 55.785 55.785 58.251 -2.466 17762 281 1 1 . 1 1 59 59 SER CB C 59 61.054 61.054 63.208 -2.154 17762 282 1 1 . 1 1 59 59 SER H H 59 7.480 7.480 7.905 -0.425 17762 283 1 1 . 1 1 60 60 GLN N N 60 124.351 124.351 121.629 2.722 17762 284 1 1 . 1 1 60 60 GLN HA H 60 4.599 4.599 4.499 0.100 17762 285 1 1 . 1 1 60 60 GLN CA C 60 52.565 52.565 56.547 -3.982 17762 286 1 1 . 1 1 60 60 GLN CB C 60 22.414 22.414 31.000 -8.586 17762 287 1 1 . 1 1 60 60 GLN H H 60 7.702 7.702 7.941 -0.239 17762 288 1 1 . 1 1 61 61 LYS N N 61 122.353 122.353 121.388 0.965 17762 289 1 1 . 1 1 61 61 LYS HA H 61 4.261 4.261 4.562 -0.301 17762 290 1 1 . 1 1 61 61 LYS CA C 61 54.614 54.614 55.133 -0.519 17762 291 1 1 . 1 1 61 61 LYS CB C 61 31.489 31.489 33.662 -2.173 17762 292 1 1 . 1 1 61 61 LYS H H 61 7.540 7.540 8.273 -0.733 17762 293 1 1 . 1 1 62 62 LYS N N 62 129.878 129.878 128.636 1.242 17762 294 1 1 . 1 1 62 62 LYS HA H 62 4.050 4.050 4.242 -0.192 17762 295 1 1 . 1 1 62 62 LYS CA C 62 54.907 54.907 57.421 -2.514 17762 296 1 1 . 1 1 62 62 LYS CB C 62 30.318 30.318 32.746 -2.428 17762 297 1 1 . 1 1 62 62 LYS H H 62 8.408 8.408 8.874 -0.466 17762 298 1 1 . 1 1 63 63 VAL N N 63 121.631 121.631 124.203 -2.572 17762 299 1 1 . 1 1 63 63 VAL HA H 63 4.516 4.516 4.489 0.027 17762 300 1 1 . 1 1 63 63 VAL CA C 63 56.663 56.663 59.495 -2.832 17762 301 1 1 . 1 1 63 63 VAL CB C 63 33.538 33.538 34.562 -1.024 17762 302 1 1 . 1 1 63 63 VAL H H 63 8.317 8.317 8.667 -0.350 17762 303 1 1 . 1 1 64 64 THR N N 64 116.885 116.885 120.015 -3.130 17762 304 1 1 . 1 1 64 64 THR HA H 64 4.296 4.296 4.275 0.021 17762 305 1 1 . 1 1 64 64 THR CA C 64 60.468 60.468 62.761 -2.292 17762 306 1 1 . 1 1 64 64 THR CB C 64 67.201 67.201 67.936 -0.735 17762 307 1 1 . 1 1 64 64 THR H H 64 7.965 7.965 8.240 -0.275 17762 308 1 1 . 1 1 65 65 CYS N N 65 124.789 124.789 124.674 0.115 17762 309 1 1 . 1 1 65 65 CYS HA H 65 4.407 4.407 4.231 0.176 17762 310 1 1 . 1 1 65 65 CYS CA C 65 51.101 51.101 59.528 -8.427 17762 311 1 1 . 1 1 65 65 CYS CB C 65 36.465 36.465 28.387 8.078 17762 312 1 1 . 1 1 65 65 CYS H H 65 8.790 8.790 8.278 0.512 17762 313 1 1 . 1 1 66 66 LYS N N 66 128.070 128.070 122.817 5.253 17762 314 1 1 . 1 1 66 66 LYS HA H 66 3.993 3.993 4.131 -0.138 17762 315 1 1 . 1 1 66 66 LYS CA C 66 56.663 56.663 57.459 -0.796 17762 316 1 1 . 1 1 66 66 LYS CB C 66 28.854 28.854 29.778 -0.924 17762 317 1 1 . 1 1 66 66 LYS H H 66 10.959 10.959 8.781 2.178 17762 318 1 1 . 1 1 67 67 ASP N N 67 117.000 117.000 118.417 -1.417 17762 319 1 1 . 1 1 67 67 ASP HA H 67 4.459 4.459 4.591 -0.132 17762 320 1 1 . 1 1 67 67 ASP CA C 67 50.809 50.809 55.000 -4.191 17762 321 1 1 . 1 1 67 67 ASP CB C 67 37.636 37.636 41.121 -3.485 17762 322 1 1 . 1 1 67 67 ASP H H 67 8.021 8.021 8.351 -0.330 17762 323 1 1 . 1 1 68 68 GLY N N 68 108.831 108.831 108.198 0.633 17762 324 1 1 . 1 1 68 68 GLY CA C 68 42.612 42.612 44.975 -2.364 17762 325 1 1 . 1 1 68 68 GLY H H 68 8.029 8.029 8.228 -0.199 17762 326 1 1 . 1 1 69 69 GLN N N 69 120.061 120.061 120.045 0.016 17762 327 1 1 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.575 -0.218 17762 328 1 1 . 1 1 69 69 GLN CA C 69 54.264 54.264 55.547 -1.283 17762 329 1 1 . 1 1 69 69 GLN CB C 69 27.683 27.683 30.004 -2.321 17762 330 1 1 . 1 1 69 69 GLN H H 69 8.115 8.115 8.658 -0.543 17762 331 1 1 . 1 1 70 70 THR N N 70 112.531 112.531 113.223 -0.692 17762 332 1 1 . 1 1 70 70 THR HA H 70 4.475 4.475 3.887 0.588 17762 333 1 1 . 1 1 70 70 THR CA C 70 58.712 58.712 64.427 -5.715 17762 334 1 1 . 1 1 70 70 THR CB C 70 67.201 67.201 67.429 -0.228 17762 335 1 1 . 1 1 70 70 THR H H 70 8.553 8.553 8.615 -0.062 17762 336 1 1 . 1 1 71 71 ASN N N 71 119.619 119.619 118.498 1.121 17762 337 1 1 . 1 1 71 71 ASN HA H 71 4.847 4.847 4.562 0.285 17762 338 1 1 . 1 1 71 71 ASN CA C 71 50.516 50.516 52.431 -1.915 17762 339 1 1 . 1 1 71 71 ASN CB C 71 35.587 35.587 38.609 -3.022 17762 340 1 1 . 1 1 71 71 ASN H H 71 8.219 8.219 8.364 -0.145 17762 341 1 1 . 1 1 72 72 CYS N N 72 118.100 118.100 118.050 0.050 17762 342 1 1 . 1 1 72 72 CYS HA H 72 5.424 5.424 4.612 0.812 17762 343 1 1 . 1 1 72 72 CYS CA C 72 56.956 56.956 57.283 -0.327 17762 344 1 1 . 1 1 72 72 CYS CB C 72 43.198 43.198 27.017 16.181 17762 345 1 1 . 1 1 72 72 CYS H H 72 7.477 7.477 7.705 -0.228 17762 346 1 1 . 1 1 73 73 TYR N N 73 119.843 119.843 121.777 -1.934 17762 347 1 1 . 1 1 73 73 TYR HA H 73 5.121 5.121 5.149 -0.028 17762 348 1 1 . 1 1 73 73 TYR CA C 73 55.199 55.199 56.495 -1.296 17762 349 1 1 . 1 1 73 73 TYR CB C 73 41.441 41.441 40.106 1.335 17762 350 1 1 . 1 1 73 73 TYR H H 73 8.983 8.983 9.143 -0.160 17762 351 1 1 . 1 1 74 74 GLN N N 74 123.174 123.174 124.923 -1.749 17762 352 1 1 . 1 1 74 74 GLN HA H 74 5.408 5.408 4.898 0.510 17762 353 1 1 . 1 1 74 74 GLN CA C 74 49.930 49.930 54.704 -4.774 17762 354 1 1 . 1 1 74 74 GLN H H 74 9.477 9.477 8.947 0.530 17762 355 1 1 . 1 1 75 75 SER N N 75 122.742 122.742 122.474 0.268 17762 356 1 1 . 1 1 75 75 SER HA H 75 4.679 4.679 4.340 0.339 17762 357 1 1 . 1 1 75 75 SER CA C 75 55.764 55.764 59.811 -4.047 17762 358 1 1 . 1 1 75 75 SER CB C 75 62.424 62.424 64.292 -1.868 17762 359 1 1 . 1 1 75 75 SER H H 75 9.286 9.286 8.816 0.470 17762 360 1 1 . 1 1 76 76 LYS N N 76 127.293 127.293 123.515 3.778 17762 361 1 1 . 1 1 76 76 LYS HA H 76 4.202 4.202 4.080 0.122 17762 362 1 1 . 1 1 76 76 LYS CA C 76 56.370 56.370 58.354 -1.984 17762 363 1 1 . 1 1 76 76 LYS CB C 76 30.318 30.318 32.608 -2.290 17762 364 1 1 . 1 1 76 76 LYS H H 76 8.938 8.938 8.729 0.209 17762 365 1 1 . 1 1 77 77 SER N N 77 114.297 114.297 111.755 2.542 17762 366 1 1 . 1 1 77 77 SER HA H 77 4.888 4.888 4.893 -0.005 17762 367 1 1 . 1 1 77 77 SER CA C 77 53.736 53.736 56.499 -2.764 17762 368 1 1 . 1 1 77 77 SER CB C 77 62.810 62.810 65.725 -2.915 17762 369 1 1 . 1 1 77 77 SER H H 77 8.592 8.592 7.711 0.881 17762 370 1 1 . 1 1 78 78 THR N N 78 113.859 113.859 113.701 0.158 17762 371 1 1 . 1 1 78 78 THR HA H 78 3.254 3.254 4.018 -0.764 17762 372 1 1 . 1 1 78 78 THR CA C 78 59.883 59.883 62.943 -3.060 17762 373 1 1 . 1 1 78 78 THR CB C 78 66.908 66.908 68.895 -1.987 17762 374 1 1 . 1 1 78 78 THR H H 78 8.134 8.134 8.298 -0.164 17762 375 1 1 . 1 1 79 79 MET N N 79 121.299 121.299 124.168 -2.869 17762 376 1 1 . 1 1 79 79 MET HA H 79 4.643 4.643 4.816 -0.173 17762 377 1 1 . 1 1 79 79 MET CA C 79 52.858 52.858 52.847 0.011 17762 378 1 1 . 1 1 79 79 MET CB C 79 34.416 34.416 36.246 -1.830 17762 379 1 1 . 1 1 79 79 MET H H 79 8.508 8.508 8.786 -0.278 17762 380 1 1 . 1 1 80 80 ARG N N 80 122.767 122.767 124.293 -1.526 17762 381 1 1 . 1 1 80 80 ARG HA H 80 4.376 4.376 4.216 0.160 17762 382 1 1 . 1 1 80 80 ARG CA C 80 54.907 54.907 56.631 -1.724 17762 383 1 1 . 1 1 80 80 ARG CB C 80 27.391 27.391 29.238 -1.847 17762 384 1 1 . 1 1 80 80 ARG H H 80 9.508 9.508 8.757 0.751 17762 385 1 1 . 1 1 81 81 ILE N N 81 120.594 120.594 123.927 -3.333 17762 386 1 1 . 1 1 81 81 ILE HA H 81 5.284 5.284 5.359 -0.075 17762 387 1 1 . 1 1 81 81 ILE CA C 81 56.663 56.663 58.339 -1.676 17762 388 1 1 . 1 1 81 81 ILE CB C 81 39.978 39.978 40.772 -0.794 17762 389 1 1 . 1 1 81 81 ILE H H 81 8.645 8.645 9.158 -0.513 17762 390 1 1 . 1 1 82 82 THR N N 82 119.200 119.200 117.078 2.122 17762 391 1 1 . 1 1 82 82 THR HA H 82 5.020 5.020 4.725 0.295 17762 392 1 1 . 1 1 82 82 THR CA C 82 60.176 60.176 60.162 0.014 17762 393 1 1 . 1 1 82 82 THR CB C 82 68.372 68.372 68.082 0.290 17762 394 1 1 . 1 1 82 82 THR H H 82 9.256 9.256 9.070 0.186 17762 395 1 1 . 1 1 83 83 ASP N N 83 127.841 127.841 127.366 0.475 17762 396 1 1 . 1 1 83 83 ASP HA H 83 5.029 5.029 4.664 0.365 17762 397 1 1 . 1 1 83 83 ASP CA C 83 51.101 51.101 54.498 -3.397 17762 398 1 1 . 1 1 83 83 ASP CB C 83 40.563 40.563 41.343 -0.780 17762 399 1 1 . 1 1 83 83 ASP H H 83 9.241 9.241 8.777 0.464 17762 400 1 1 . 1 1 84 84 CYS N N 84 122.123 122.123 127.295 -5.172 17762 401 1 1 . 1 1 84 84 CYS HA H 84 5.940 5.940 4.914 1.026 17762 402 1 1 . 1 1 84 84 CYS CA C 84 49.345 49.345 57.674 -8.329 17762 403 1 1 . 1 1 84 84 CYS CB C 84 36.465 36.465 28.285 8.180 17762 404 1 1 . 1 1 84 84 CYS H H 84 8.808 8.808 8.889 -0.081 17762 405 1 1 . 1 1 85 85 ARG N N 85 122.200 122.200 126.836 -4.636 17762 406 1 1 . 1 1 85 85 ARG HA H 85 5.412 5.412 5.254 0.158 17762 407 1 1 . 1 1 85 85 ARG CA C 85 52.272 52.272 54.769 -2.497 17762 408 1 1 . 1 1 85 85 ARG CB C 85 30.903 30.903 35.173 -4.270 17762 409 1 1 . 1 1 85 85 ARG H H 85 8.204 8.204 9.244 -1.040 17762 410 1 1 . 1 1 86 86 GLU N N 86 128.674 128.674 126.134 2.540 17762 411 1 1 . 1 1 86 86 GLU HA H 86 4.288 4.288 4.599 -0.311 17762 412 1 1 . 1 1 86 86 GLU CA C 86 55.199 55.199 56.183 -0.984 17762 413 1 1 . 1 1 86 86 GLU CB C 86 29.732 29.732 30.493 -0.761 17762 414 1 1 . 1 1 86 86 GLU H H 86 8.762 8.762 8.447 0.315 17762 415 1 1 . 1 1 87 87 THR N N 87 115.660 115.660 117.534 -1.874 17762 416 1 1 . 1 1 87 87 THR HA H 87 4.507 4.507 4.346 0.161 17762 417 1 1 . 1 1 87 87 THR CA C 87 58.127 58.127 61.007 -2.880 17762 418 1 1 . 1 1 87 87 THR CB C 87 68.665 68.665 69.364 -0.699 17762 419 1 1 . 1 1 87 87 THR H H 87 8.118 8.118 8.691 -0.573 17762 420 1 1 . 1 1 88 88 GLY N N 88 107.768 107.768 108.975 -1.207 17762 421 1 1 . 1 1 88 88 GLY CA C 88 43.490 43.490 45.147 -1.657 17762 422 1 1 . 1 1 88 88 GLY H H 88 8.774 8.774 8.735 0.039 17762 423 1 1 . 1 1 89 89 SER N N 89 112.931 112.931 115.951 -3.020 17762 424 1 1 . 1 1 89 89 SER HA H 89 4.503 4.503 4.358 0.145 17762 425 1 1 . 1 1 89 89 SER CA C 89 55.199 55.199 57.972 -2.773 17762 426 1 1 . 1 1 89 89 SER CB C 89 61.054 61.054 64.627 -3.573 17762 427 1 1 . 1 1 89 89 SER H H 89 7.597 7.597 8.552 -0.955 17762 428 1 1 . 1 1 90 90 SER N N 90 118.245 118.245 120.240 -1.995 17762 429 1 1 . 1 1 90 90 SER HA H 90 3.943 3.943 4.239 -0.296 17762 430 1 1 . 1 1 90 90 SER CA C 90 56.370 56.370 60.334 -3.964 17762 431 1 1 . 1 1 90 90 SER CB C 90 60.468 60.468 63.242 -2.774 17762 432 1 1 . 1 1 90 90 SER H H 90 6.989 6.989 7.832 -0.843 17762 433 1 1 . 1 1 91 91 LYS N N 91 129.777 129.777 129.571 0.206 17762 434 1 1 . 1 1 91 91 LYS HA H 91 4.431 4.431 4.552 -0.121 17762 435 1 1 . 1 1 91 91 LYS CA C 91 53.443 53.443 54.817 -1.374 17762 436 1 1 . 1 1 91 91 LYS CB C 91 31.489 31.489 33.804 -2.316 17762 437 1 1 . 1 1 91 91 LYS H H 91 7.527 7.527 8.622 -1.095 17762 438 1 1 . 1 1 92 92 TYR N N 92 131.912 131.912 125.482 6.430 17762 439 1 1 . 1 1 92 92 TYR HA H 92 3.718 3.718 4.363 -0.645 17762 440 1 1 . 1 1 92 92 TYR CA C 92 56.078 56.078 57.928 -1.850 17762 441 1 1 . 1 1 92 92 TYR CB C 92 35.880 35.880 38.484 -2.604 17762 442 1 1 . 1 1 92 92 TYR H H 92 9.290 9.290 8.680 0.610 17762 443 1 1 . 1 1 93 93 PRO HA H 93 3.028 3.028 3.484 -0.456 17762 444 1 1 . 1 1 93 93 PRO CA C 93 61.347 61.347 63.197 -1.850 17762 445 1 1 . 1 1 93 93 PRO CB C 93 31.196 31.196 32.431 -1.235 17762 446 1 1 . 1 1 94 94 ASN N N 94 130.934 130.934 120.086 10.848 17762 447 1 1 . 1 1 94 94 ASN HA H 94 4.943 4.943 4.691 0.252 17762 448 1 1 . 1 1 94 94 ASN CA C 94 49.630 49.630 53.028 -3.398 17762 449 1 1 . 1 1 94 94 ASN CB C 94 35.001 35.001 37.780 -2.779 17762 450 1 1 . 1 1 94 94 ASN H H 94 8.823 8.823 8.234 0.589 17762 451 1 1 . 1 1 95 95 CYS N N 95 122.402 122.402 119.217 3.185 17762 452 1 1 . 1 1 95 95 CYS HA H 95 4.840 4.840 4.411 0.429 17762 453 1 1 . 1 1 95 95 CYS CA C 95 50.516 50.516 59.129 -8.613 17762 454 1 1 . 1 1 95 95 CYS CB C 95 35.880 35.880 26.734 9.146 17762 455 1 1 . 1 1 95 95 CYS H H 95 7.687 7.687 8.161 -0.474 17762 456 1 1 . 1 1 96 96 ALA N N 96 129.346 129.346 128.463 0.883 17762 457 1 1 . 1 1 96 96 ALA HA H 96 4.746 4.746 4.772 -0.026 17762 458 1 1 . 1 1 96 96 ALA CA C 96 49.052 49.052 51.190 -2.138 17762 459 1 1 . 1 1 96 96 ALA CB C 96 19.194 19.194 20.890 -1.696 17762 460 1 1 . 1 1 96 96 ALA H H 96 8.634 8.634 8.752 -0.118 17762 461 1 1 . 1 1 97 97 TYR N N 97 118.353 118.353 123.656 -5.303 17762 462 1 1 . 1 1 97 97 TYR HA H 97 4.904 4.904 5.403 -0.499 17762 463 1 1 . 1 1 97 97 TYR CA C 97 55.785 55.785 57.514 -1.730 17762 464 1 1 . 1 1 97 97 TYR CB C 97 41.441 41.441 41.626 -0.184 17762 465 1 1 . 1 1 97 97 TYR H H 97 9.368 9.368 9.325 0.043 17762 466 1 1 . 1 1 98 98 LYS N N 98 125.559 125.559 121.025 4.534 17762 467 1 1 . 1 1 98 98 LYS HA H 98 4.743 4.743 4.657 0.086 17762 468 1 1 . 1 1 98 98 LYS CA C 98 52.565 52.565 54.442 -1.877 17762 469 1 1 . 1 1 98 98 LYS CB C 98 31.489 31.489 36.486 -4.997 17762 470 1 1 . 1 1 98 98 LYS H H 98 9.427 9.427 9.265 0.162 17762 471 1 1 . 1 1 99 99 THR N N 99 126.667 126.667 119.868 6.799 17762 472 1 1 . 1 1 99 99 THR HA H 99 5.243 5.243 4.987 0.256 17762 473 1 1 . 1 1 99 99 THR CA C 99 60.176 60.176 60.701 -0.525 17762 474 1 1 . 1 1 99 99 THR CB C 99 68.665 68.665 70.617 -1.952 17762 475 1 1 . 1 1 99 99 THR H H 99 9.055 9.055 8.374 0.681 17762 476 1 1 . 1 1 100 100 THR N N 100 124.517 124.517 121.196 3.321 17762 477 1 1 . 1 1 100 100 THR HA H 100 4.637 4.637 4.549 0.088 17762 478 1 1 . 1 1 100 100 THR CA C 100 59.883 59.883 61.453 -1.570 17762 479 1 1 . 1 1 100 100 THR CB C 100 68.372 68.372 69.817 -1.445 17762 480 1 1 . 1 1 100 100 THR H H 100 8.855 8.855 8.788 0.067 17762 481 1 1 . 1 1 101 101 GLN N N 101 128.586 128.586 128.288 0.298 17762 482 1 1 . 1 1 101 101 GLN HA H 101 5.180 5.180 4.514 0.666 17762 483 1 1 . 1 1 101 101 GLN CA C 101 53.150 53.150 56.644 -3.494 17762 484 1 1 . 1 1 101 101 GLN CB C 101 27.098 27.098 28.506 -1.408 17762 485 1 1 . 1 1 101 101 GLN H H 101 8.823 8.823 8.762 0.061 17762 486 1 1 . 1 1 102 102 VAL N N 102 121.495 121.495 121.226 0.269 17762 487 1 1 . 1 1 102 102 VAL HA H 102 4.639 4.639 4.548 0.091 17762 488 1 1 . 1 1 102 102 VAL CA C 102 57.834 57.834 59.633 -1.799 17762 489 1 1 . 1 1 102 102 VAL CB C 102 34.123 34.123 35.571 -1.448 17762 490 1 1 . 1 1 102 102 VAL H H 102 8.643 8.643 9.200 -0.557 17762 491 1 1 . 1 1 103 103 GLU N N 103 122.031 122.031 123.741 -1.710 17762 492 1 1 . 1 1 103 103 GLU HA H 103 5.400 5.400 4.989 0.411 17762 493 1 1 . 1 1 103 103 GLU CA C 103 52.565 52.565 54.784 -2.219 17762 494 1 1 . 1 1 103 103 GLU CB C 103 28.269 28.269 28.225 0.044 17762 495 1 1 . 1 1 103 103 GLU H H 103 8.068 8.068 8.644 -0.576 17762 496 1 1 . 1 1 104 104 LYS N N 104 122.283 122.283 122.583 -0.300 17762 497 1 1 . 1 1 104 104 LYS HA H 104 4.795 4.795 4.595 0.200 17762 498 1 1 . 1 1 104 104 LYS CA C 104 51.979 51.979 53.923 -1.944 17762 499 1 1 . 1 1 104 104 LYS CB C 104 37.050 37.050 36.717 0.333 17762 500 1 1 . 1 1 104 104 LYS H H 104 8.336 8.336 8.318 0.018 17762 501 1 1 . 1 1 105 105 HIS N N 105 119.366 119.366 120.193 -0.827 17762 502 1 1 . 1 1 105 105 HIS HA H 105 4.407 4.407 4.835 -0.428 17762 503 1 1 . 1 1 105 105 HIS CA C 105 54.321 54.321 56.132 -1.811 17762 504 1 1 . 1 1 105 105 HIS CB C 105 25.341 25.341 29.216 -3.875 17762 505 1 1 . 1 1 105 105 HIS H H 105 9.202 9.202 8.696 0.506 17762 506 1 1 . 1 1 106 106 ILE N N 106 114.175 114.175 120.187 -6.012 17762 507 1 1 . 1 1 106 106 ILE HA H 106 4.997 4.997 4.332 0.665 17762 508 1 1 . 1 1 106 106 ILE CA C 106 57.541 57.541 62.599 -5.058 17762 509 1 1 . 1 1 106 106 ILE CB C 106 38.807 38.807 38.624 0.183 17762 510 1 1 . 1 1 106 106 ILE H H 106 8.447 8.447 8.696 -0.249 17762 511 1 1 . 1 1 107 107 ILE N N 107 122.400 122.400 125.985 -3.585 17762 512 1 1 . 1 1 107 107 ILE HA H 107 5.296 5.296 4.996 0.300 17762 513 1 1 . 1 1 107 107 ILE CA C 107 57.541 57.541 58.720 -1.179 17762 514 1 1 . 1 1 107 107 ILE CB C 107 36.758 36.758 36.610 0.148 17762 515 1 1 . 1 1 107 107 ILE H H 107 8.314 8.314 9.070 -0.756 17762 516 1 1 . 1 1 108 108 VAL N N 108 118.187 118.187 124.107 -5.920 17762 517 1 1 . 1 1 108 108 VAL HA H 108 4.888 4.888 4.911 -0.023 17762 518 1 1 . 1 1 108 108 VAL CA C 108 55.199 55.199 58.908 -3.709 17762 519 1 1 . 1 1 108 108 VAL CB C 108 32.074 32.074 34.829 -2.755 17762 520 1 1 . 1 1 108 108 VAL H H 108 8.907 8.907 9.252 -0.345 17762 521 1 1 . 1 1 109 109 ALA N N 109 122.660 122.660 122.761 -0.101 17762 522 1 1 . 1 1 109 109 ALA HA H 109 5.296 5.296 4.787 0.509 17762 523 1 1 . 1 1 109 109 ALA CA C 109 48.174 48.174 50.202 -2.028 17762 524 1 1 . 1 1 109 109 ALA CB C 109 19.194 19.194 20.013 -0.819 17762 525 1 1 . 1 1 109 109 ALA H H 109 8.706 8.706 8.500 0.206 17762 526 1 1 . 1 1 110 110 CYS N N 110 120.404 120.404 123.394 -2.990 17762 527 1 1 . 1 1 110 110 CYS HA H 110 5.680 5.680 5.287 0.393 17762 528 1 1 . 1 1 110 110 CYS CA C 110 53.443 53.443 57.751 -4.308 17762 529 1 1 . 1 1 110 110 CYS CB C 110 47.003 47.003 29.173 17.830 17762 530 1 1 . 1 1 110 110 CYS H H 110 8.797 8.797 9.433 -0.636 17762 531 1 1 . 1 1 111 111 GLY N N 111 111.123 111.123 111.432 -0.309 17762 532 1 1 . 1 1 111 111 GLY CA C 111 42.905 42.905 45.628 -2.723 17762 533 1 1 . 1 1 111 111 GLY H H 111 9.107 9.107 8.642 0.465 17762 534 1 1 . 1 1 112 112 GLY N N 112 107.554 107.554 106.855 0.699 17762 535 1 1 . 1 1 112 112 GLY CA C 112 40.856 40.856 45.065 -4.209 17762 536 1 1 . 1 1 112 112 GLY H H 112 8.206 8.206 8.118 0.088 17762 537 1 1 . 1 1 113 113 LYS N N 113 118.578 118.578 120.507 -1.929 17762 538 1 1 . 1 1 113 113 LYS HA H 113 4.384 4.384 4.269 0.115 17762 539 1 1 . 1 1 113 113 LYS CA C 113 51.100 51.100 55.498 -4.398 17762 540 1 1 . 1 1 113 113 LYS CB C 113 32.367 32.367 32.099 0.268 17762 541 1 1 . 1 1 113 113 LYS H H 113 7.774 7.774 8.068 -0.294 17762 542 1 1 . 1 1 114 114 PRO HA H 114 4.615 4.615 4.343 0.272 17762 543 1 1 . 1 1 114 114 PRO C C 114 3.597 3.597 175.954 -172.357 17762 544 1 1 . 1 1 114 114 PRO CA C 114 60.448 60.448 62.827 -2.379 17762 545 1 1 . 1 1 114 114 PRO CB C 114 31.781 31.781 32.307 -0.526 17762 546 1 1 . 1 1 115 115 SER N N 115 116.201 116.201 118.170 -1.969 17762 547 1 1 . 1 1 115 115 SER HA H 115 3.954 3.954 4.437 -0.483 17762 548 1 1 . 1 1 115 115 SER CA C 115 56.078 56.078 58.981 -2.903 17762 549 1 1 . 1 1 115 115 SER CB C 115 60.761 60.761 63.529 -2.768 17762 550 1 1 . 1 1 115 115 SER H H 115 8.201 8.201 8.341 -0.140 17762 551 1 1 . 1 1 116 116 VAL N N 116 120.540 120.540 121.394 -0.854 17762 552 1 1 . 1 1 116 116 VAL HA H 116 4.858 4.858 4.705 0.153 17762 553 1 1 . 1 1 116 116 VAL CA C 116 56.078 56.078 57.757 -1.679 17762 554 1 1 . 1 1 116 116 VAL CB C 116 31.196 31.196 33.644 -2.448 17762 555 1 1 . 1 1 116 116 VAL H H 116 8.511 8.511 8.932 -0.421 17762 556 1 1 . 1 1 117 117 PRO HA H 117 4.508 4.508 4.712 -0.204 17762 557 1 1 . 1 1 117 117 PRO CA C 117 60.468 60.468 62.900 -2.432 17762 558 1 1 . 1 1 117 117 PRO CB C 117 27.391 27.391 32.047 -4.655 17762 559 1 1 . 1 1 118 118 VAL N N 118 111.972 111.972 114.340 -2.368 17762 560 1 1 . 1 1 118 118 VAL HA H 118 4.532 4.532 4.255 0.277 17762 561 1 1 . 1 1 118 118 VAL CA C 118 58.419 58.419 61.594 -3.175 17762 562 1 1 . 1 1 118 118 VAL CB C 118 31.781 31.781 33.570 -1.789 17762 563 1 1 . 1 1 118 118 VAL H H 118 8.927 8.927 8.631 0.296 17762 564 1 1 . 1 1 119 119 HIS N N 119 121.264 121.264 117.518 3.746 17762 565 1 1 . 1 1 119 119 HIS HA H 119 5.324 5.324 4.388 0.936 17762 566 1 1 . 1 1 119 119 HIS CA C 119 53.443 53.443 54.642 -1.199 17762 567 1 1 . 1 1 119 119 HIS CB C 119 30.025 30.025 33.449 -3.424 17762 568 1 1 . 1 1 119 119 HIS H H 119 7.616 7.616 7.022 0.594 17762 569 1 1 . 1 1 120 120 PHE HA H 120 4.283 4.283 4.872 -0.589 17762 570 1 1 . 1 1 120 120 PHE CA C 120 55.785 55.785 55.897 -0.112 17762 571 1 1 . 1 1 120 120 PHE CB C 120 36.172 36.172 42.051 -5.879 17762 572 1 1 . 1 1 121 121 ASP N N 121 131.399 131.399 125.341 6.058 17762 573 1 1 . 1 1 121 121 ASP HA H 121 4.668 4.668 4.471 0.197 17762 574 1 1 . 1 1 121 121 ASP CA C 121 54.614 54.614 54.602 0.012 17762 575 1 1 . 1 1 121 121 ASP CB C 121 44.076 44.076 43.352 0.724 17762 576 1 1 . 1 1 121 121 ASP H H 121 8.644 8.644 8.769 -0.125 17762 577 1 1 . 1 1 122 122 ALA N N 122 116.961 116.961 117.269 -0.308 17762 578 1 1 . 1 1 122 122 ALA HA H 122 4.491 4.491 4.134 0.357 17762 579 1 1 . 1 1 122 122 ALA CA C 122 49.345 49.345 51.472 -2.127 17762 580 1 1 . 1 1 122 122 ALA CB C 122 19.194 19.194 20.459 -1.265 17762 581 1 1 . 1 1 122 122 ALA H H 122 7.419 7.419 6.587 0.832 17762 582 1 1 . 1 1 123 123 SER N N 123 112.579 112.579 115.732 -3.153 17762 583 1 1 . 1 1 123 123 SER HA H 123 5.325 5.325 5.672 -0.347 17762 584 1 1 . 1 1 123 123 SER CA C 123 54.321 54.321 57.478 -3.157 17762 585 1 1 . 1 1 123 123 SER CB C 123 63.981 63.981 65.679 -1.698 17762 586 1 1 . 1 1 123 123 SER H H 123 8.092 8.092 8.521 -0.429 17762 587 1 2 . 1 1 2 2 GLU N N 2 126.119 126.119 120.749 5.370 17762 588 1 2 . 1 1 2 2 GLU HA H 2 4.370 4.370 4.485 -0.115 17762 589 1 2 . 1 1 2 2 GLU CA C 2 53.440 53.440 55.574 -2.134 17762 590 1 2 . 1 1 2 2 GLU CB C 2 29.147 29.147 31.497 -2.350 17762 591 1 2 . 1 1 2 2 GLU H H 2 8.448 8.448 9.014 -0.566 17762 592 1 2 . 1 1 3 3 SER N N 3 124.530 124.530 114.791 9.739 17762 593 1 2 . 1 1 3 3 SER HA H 3 4.500 4.500 4.569 -0.069 17762 594 1 2 . 1 1 3 3 SER CA C 3 54.907 54.907 58.096 -3.189 17762 595 1 2 . 1 1 3 3 SER CB C 3 62.511 62.511 63.529 -1.018 17762 596 1 2 . 1 1 3 3 SER H H 3 8.755 8.755 8.356 0.399 17762 597 1 2 . 1 1 4 4 ALA N N 4 125.341 125.341 125.062 0.279 17762 598 1 2 . 1 1 4 4 ALA HA H 4 4.216 4.216 3.938 0.278 17762 599 1 2 . 1 1 4 4 ALA CA C 4 52.858 52.858 54.540 -1.682 17762 600 1 2 . 1 1 4 4 ALA CB C 4 15.389 15.389 17.383 -1.994 17762 601 1 2 . 1 1 4 4 ALA H H 4 8.961 8.961 8.502 0.459 17762 602 1 2 . 1 1 5 5 ALA N N 5 121.896 121.896 123.065 -1.169 17762 603 1 2 . 1 1 5 5 ALA HA H 5 4.375 4.375 4.262 0.113 17762 604 1 2 . 1 1 5 5 ALA CA C 5 52.565 52.565 55.362 -2.797 17762 605 1 2 . 1 1 5 5 ALA CB C 5 15.974 15.974 18.620 -2.646 17762 606 1 2 . 1 1 5 5 ALA H H 5 8.659 8.659 8.339 0.320 17762 607 1 2 . 1 1 6 6 ALA N N 6 123.734 123.734 120.308 3.426 17762 608 1 2 . 1 1 6 6 ALA HA H 6 4.216 4.216 4.014 0.202 17762 609 1 2 . 1 1 6 6 ALA CA C 6 52.272 52.272 55.119 -2.847 17762 610 1 2 . 1 1 6 6 ALA CB C 6 15.389 15.389 17.922 -2.533 17762 611 1 2 . 1 1 6 6 ALA H H 6 8.009 8.009 8.582 -0.573 17762 612 1 2 . 1 1 7 7 LYS N N 7 123.118 123.118 119.771 3.347 17762 613 1 2 . 1 1 7 7 LYS HA H 7 4.025 4.025 4.110 -0.085 17762 614 1 2 . 1 1 7 7 LYS CA C 7 57.834 57.834 59.087 -1.253 17762 615 1 2 . 1 1 7 7 LYS CB C 7 29.732 29.732 32.649 -2.917 17762 616 1 2 . 1 1 7 7 LYS H H 7 8.737 8.737 7.640 1.097 17762 617 1 2 . 1 1 8 8 PHE N N 8 120.604 120.604 120.931 -0.327 17762 618 1 2 . 1 1 8 8 PHE HA H 8 4.388 4.388 4.133 0.255 17762 619 1 2 . 1 1 8 8 PHE CA C 8 59.298 59.298 61.180 -1.882 17762 620 1 2 . 1 1 8 8 PHE CB C 8 36.465 36.465 38.544 -2.079 17762 621 1 2 . 1 1 8 8 PHE H H 8 8.058 8.058 8.788 -0.730 17762 622 1 2 . 1 1 9 9 GLU N N 9 119.978 119.978 120.390 -0.412 17762 623 1 2 . 1 1 9 9 GLU HA H 9 3.742 3.742 3.450 0.292 17762 624 1 2 . 1 1 9 9 GLU CA C 9 58.127 58.127 59.897 -1.770 17762 625 1 2 . 1 1 9 9 GLU CB C 9 35.001 35.001 29.371 5.630 17762 626 1 2 . 1 1 9 9 GLU H H 9 7.922 7.922 8.481 -0.559 17762 627 1 2 . 1 1 10 10 ARG N N 10 120.914 120.914 118.068 2.846 17762 628 1 2 . 1 1 10 10 ARG HA H 10 4.197 4.197 3.953 0.244 17762 629 1 2 . 1 1 10 10 ARG CA C 10 56.663 56.663 58.911 -2.248 17762 630 1 2 . 1 1 10 10 ARG CB C 10 27.683 27.683 29.753 -2.070 17762 631 1 2 . 1 1 10 10 ARG H H 10 8.323 8.323 8.275 0.048 17762 632 1 2 . 1 1 11 11 GLN N N 11 112.201 112.201 117.335 -5.134 17762 633 1 2 . 1 1 11 11 GLN HA H 11 3.787 3.787 4.025 -0.238 17762 634 1 2 . 1 1 11 11 GLN CA C 11 55.492 55.492 59.217 -3.725 17762 635 1 2 . 1 1 11 11 GLN CB C 11 26.805 26.805 29.050 -2.245 17762 636 1 2 . 1 1 11 11 GLN H H 11 8.425 8.425 8.483 -0.058 17762 637 1 2 . 1 1 12 12 HIS N N 12 106.607 106.607 114.329 -7.722 17762 638 1 2 . 1 1 12 12 HIS HA H 12 4.943 4.943 4.715 0.228 17762 639 1 2 . 1 1 12 12 HIS CA C 12 52.272 52.272 56.533 -4.261 17762 640 1 2 . 1 1 12 12 HIS CB C 12 27.680 27.680 31.470 -3.790 17762 641 1 2 . 1 1 12 12 HIS H H 12 7.708 7.708 8.167 -0.459 17762 642 1 2 . 1 1 13 13 MET N N 13 117.217 117.217 119.962 -2.745 17762 643 1 2 . 1 1 13 13 MET HA H 13 5.460 5.460 4.674 0.786 17762 644 1 2 . 1 1 13 13 MET CA C 13 50.516 50.516 53.797 -3.281 17762 645 1 2 . 1 1 13 13 MET CB C 13 27.098 27.098 33.584 -6.486 17762 646 1 2 . 1 1 13 13 MET H H 13 8.037 8.037 7.811 0.226 17762 647 1 2 . 1 1 14 14 ASP N N 14 123.910 123.910 124.654 -0.744 17762 648 1 2 . 1 1 14 14 ASP HA H 14 5.024 5.024 4.722 0.302 17762 649 1 2 . 1 1 14 14 ASP CA C 14 51.101 51.101 53.216 -2.115 17762 650 1 2 . 1 1 14 14 ASP CB C 14 37.636 37.636 44.160 -6.524 17762 651 1 2 . 1 1 14 14 ASP H H 14 8.805 8.805 8.755 0.050 17762 652 1 2 . 1 1 15 15 SER N N 15 121.832 121.832 120.378 1.454 17762 653 1 2 . 1 1 15 15 SER HA H 15 4.202 4.202 4.228 -0.026 17762 654 1 2 . 1 1 15 15 SER CA C 15 58.127 58.127 59.608 -1.481 17762 655 1 2 . 1 1 15 15 SER CB C 15 61.347 61.347 63.353 -2.006 17762 656 1 2 . 1 1 15 15 SER H H 15 8.943 8.943 8.531 0.412 17762 657 1 2 . 1 1 16 16 GLY N N 16 111.703 111.703 110.490 1.213 17762 658 1 2 . 1 1 16 16 GLY CA C 16 42.905 42.905 45.057 -2.152 17762 659 1 2 . 1 1 16 16 GLY H H 16 8.586 8.586 8.929 -0.343 17762 660 1 2 . 1 1 17 17 ASN N N 17 119.334 119.334 117.113 2.221 17762 661 1 2 . 1 1 17 17 ASN HA H 17 4.660 4.660 4.885 -0.225 17762 662 1 2 . 1 1 17 17 ASN CA C 17 50.223 50.223 52.777 -2.554 17762 663 1 2 . 1 1 17 17 ASN CB C 17 37.346 37.346 41.077 -3.731 17762 664 1 2 . 1 1 17 17 ASN H H 17 7.983 7.983 8.308 -0.325 17762 665 1 2 . 1 1 18 18 SER N N 18 117.557 117.557 115.169 2.388 17762 666 1 2 . 1 1 18 18 SER HA H 18 4.187 4.187 4.758 -0.571 17762 667 1 2 . 1 1 18 18 SER CA C 18 53.443 53.443 55.051 -1.608 17762 668 1 2 . 1 1 18 18 SER CB C 18 60.468 60.468 65.120 -4.652 17762 669 1 2 . 1 1 18 18 SER H H 18 8.291 8.291 8.360 -0.069 17762 670 1 2 . 1 1 19 19 PRO HA H 19 4.204 4.204 4.526 -0.322 17762 671 1 2 . 1 1 19 19 PRO CA C 19 60.468 60.468 62.605 -2.136 17762 672 1 2 . 1 1 19 19 PRO CB C 19 29.147 29.147 32.232 -3.085 17762 673 1 2 . 1 1 20 20 SER N N 20 115.589 115.589 114.135 1.454 17762 674 1 2 . 1 1 20 20 SER HA H 20 4.370 4.370 4.505 -0.135 17762 675 1 2 . 1 1 20 20 SER CA C 20 54.907 54.907 58.441 -3.534 17762 676 1 2 . 1 1 20 20 SER CB C 20 61.347 61.347 62.060 -0.713 17762 677 1 2 . 1 1 20 20 SER H H 20 8.118 8.118 8.441 -0.323 17762 678 1 2 . 1 1 21 21 SER N N 21 118.787 118.787 118.093 0.694 17762 679 1 2 . 1 1 21 21 SER HA H 21 4.398 4.398 4.758 -0.360 17762 680 1 2 . 1 1 21 21 SER CA C 21 56.370 56.370 55.959 0.411 17762 681 1 2 . 1 1 21 21 SER CB C 21 61.639 61.639 64.434 -2.795 17762 682 1 2 . 1 1 21 21 SER H H 21 8.406 8.406 8.336 0.070 17762 683 1 2 . 1 1 22 22 SER N N 22 116.967 116.967 119.664 -2.697 17762 684 1 2 . 1 1 22 22 SER HA H 22 4.579 4.579 4.619 -0.040 17762 685 1 2 . 1 1 22 22 SER CA C 22 56.076 56.076 60.040 -3.964 17762 686 1 2 . 1 1 22 22 SER CB C 22 61.054 61.054 63.612 -2.558 17762 687 1 2 . 1 1 22 22 SER H H 22 8.278 8.278 9.101 -0.823 17762 688 1 2 . 1 1 23 23 SER N N 23 119.166 119.166 118.056 1.110 17762 689 1 2 . 1 1 23 23 SER HA H 23 4.520 4.520 4.734 -0.214 17762 690 1 2 . 1 1 23 23 SER CA C 23 57.956 57.956 59.150 -1.194 17762 691 1 2 . 1 1 23 23 SER CB C 23 61.639 61.639 64.091 -2.452 17762 692 1 2 . 1 1 23 23 SER H H 23 8.376 8.376 8.299 0.077 17762 693 1 2 . 1 1 24 24 ASN N N 24 120.511 120.511 121.713 -1.202 17762 694 1 2 . 1 1 24 24 ASN HA H 24 4.940 4.940 4.274 0.666 17762 695 1 2 . 1 1 24 24 ASN CA C 24 50.516 50.516 55.967 -5.451 17762 696 1 2 . 1 1 24 24 ASN CB C 24 36.758 36.758 37.305 -0.547 17762 697 1 2 . 1 1 24 24 ASN H H 24 8.483 8.483 7.760 0.723 17762 698 1 2 . 1 1 25 25 TYR N N 25 121.549 121.549 116.663 4.886 17762 699 1 2 . 1 1 25 25 TYR HA H 25 3.941 3.941 4.205 -0.264 17762 700 1 2 . 1 1 25 25 TYR CA C 25 59.883 59.883 58.411 1.472 17762 701 1 2 . 1 1 25 25 TYR CB C 25 36.465 36.465 35.907 0.558 17762 702 1 2 . 1 1 25 25 TYR H H 25 7.765 7.765 7.982 -0.217 17762 703 1 2 . 1 1 26 26 CYS N N 26 115.301 115.301 120.558 -5.257 17762 704 1 2 . 1 1 26 26 CYS HA H 26 3.784 3.784 4.198 -0.414 17762 705 1 2 . 1 1 26 26 CYS CA C 26 59.005 59.005 63.317 -4.312 17762 706 1 2 . 1 1 26 26 CYS CB C 26 37.636 37.636 26.157 11.479 17762 707 1 2 . 1 1 26 26 CYS H H 26 7.800 7.800 8.200 -0.400 17762 708 1 2 . 1 1 27 27 ASN N N 27 120.386 120.386 117.926 2.460 17762 709 1 2 . 1 1 27 27 ASN HA H 27 4.376 4.376 4.522 -0.146 17762 710 1 2 . 1 1 27 27 ASN CA C 27 53.736 53.736 56.672 -2.936 17762 711 1 2 . 1 1 27 27 ASN CB C 27 34.416 34.416 38.514 -4.098 17762 712 1 2 . 1 1 27 27 ASN H H 27 7.774 7.774 8.231 -0.457 17762 713 1 2 . 1 1 28 28 LEU N N 28 120.114 120.114 122.531 -2.417 17762 714 1 2 . 1 1 28 28 LEU HA H 28 4.085 4.085 4.040 0.045 17762 715 1 2 . 1 1 28 28 LEU CA C 28 55.199 55.199 58.540 -3.341 17762 716 1 2 . 1 1 28 28 LEU CB C 28 39.978 39.978 41.322 -1.344 17762 717 1 2 . 1 1 28 28 LEU H H 28 7.434 7.434 8.908 -1.474 17762 718 1 2 . 1 1 29 29 MET N N 29 118.101 118.101 118.129 -0.028 17762 719 1 2 . 1 1 29 29 MET HA H 29 4.189 4.189 3.877 0.312 17762 720 1 2 . 1 1 29 29 MET CA C 29 53.443 53.443 59.234 -5.791 17762 721 1 2 . 1 1 29 29 MET CB C 29 28.269 28.269 32.215 -3.946 17762 722 1 2 . 1 1 29 29 MET H H 29 8.474 8.474 8.092 0.382 17762 723 1 2 . 1 1 30 30 MET N N 30 116.980 116.980 119.397 -2.417 17762 724 1 2 . 1 1 30 30 MET HA H 30 4.308 4.308 4.078 0.230 17762 725 1 2 . 1 1 30 30 MET CA C 30 54.614 54.614 59.948 -5.334 17762 726 1 2 . 1 1 30 30 MET CB C 30 27.098 27.098 32.262 -5.164 17762 727 1 2 . 1 1 30 30 MET H H 30 8.672 8.672 8.088 0.584 17762 728 1 2 . 1 1 31 31 CYS N N 31 116.217 116.217 119.996 -3.779 17762 729 1 2 . 1 1 31 31 CYS HA H 31 4.713 4.713 4.087 0.626 17762 730 1 2 . 1 1 31 31 CYS CA C 31 55.786 55.786 62.610 -6.824 17762 731 1 2 . 1 1 31 31 CYS CB C 31 39.392 39.392 27.799 11.593 17762 732 1 2 . 1 1 31 31 CYS H H 31 6.592 6.592 8.492 -1.900 17762 733 1 2 . 1 1 32 32 CYS N N 32 124.056 124.056 118.209 5.847 17762 734 1 2 . 1 1 32 32 CYS HA H 32 4.410 4.410 4.049 0.361 17762 735 1 2 . 1 1 32 32 CYS CA C 32 56.078 56.078 62.864 -6.786 17762 736 1 2 . 1 1 32 32 CYS CB C 32 37.343 37.343 27.794 9.549 17762 737 1 2 . 1 1 32 32 CYS H H 32 9.448 9.448 8.648 0.800 17762 738 1 2 . 1 1 33 33 ARG N N 33 116.829 116.829 119.116 -2.287 17762 739 1 2 . 1 1 33 33 ARG HA H 33 4.467 4.467 4.174 0.293 17762 740 1 2 . 1 1 33 33 ARG CA C 33 50.809 50.809 57.596 -6.787 17762 741 1 2 . 1 1 33 33 ARG CB C 33 26.220 26.220 30.671 -4.451 17762 742 1 2 . 1 1 33 33 ARG H H 33 8.099 8.099 8.230 -0.131 17762 743 1 2 . 1 1 34 34 LYS N N 34 111.068 111.068 117.774 -6.706 17762 744 1 2 . 1 1 34 34 LYS HA H 34 4.360 4.360 4.231 0.129 17762 745 1 2 . 1 1 34 34 LYS CA C 34 54.321 54.321 57.097 -2.776 17762 746 1 2 . 1 1 34 34 LYS CB C 34 25.634 25.634 29.968 -4.334 17762 747 1 2 . 1 1 34 34 LYS H H 34 7.690 7.690 8.090 -0.400 17762 748 1 2 . 1 1 35 35 MET N N 35 116.639 116.639 115.454 1.185 17762 749 1 2 . 1 1 35 35 MET HA H 35 4.749 4.749 4.360 0.389 17762 750 1 2 . 1 1 35 35 MET CA C 35 53.443 53.443 58.062 -4.619 17762 751 1 2 . 1 1 35 35 MET CB C 35 30.903 30.903 32.829 -1.926 17762 752 1 2 . 1 1 35 35 MET H H 35 8.195 8.195 8.455 -0.260 17762 753 1 2 . 1 1 36 36 THR N N 36 107.641 107.641 112.313 -4.672 17762 754 1 2 . 1 1 36 36 THR HA H 36 5.292 5.292 4.573 0.719 17762 755 1 2 . 1 1 36 36 THR CA C 36 58.127 58.127 62.191 -4.064 17762 756 1 2 . 1 1 36 36 THR CB C 36 66.030 66.030 67.258 -1.228 17762 757 1 2 . 1 1 36 36 THR H H 36 7.562 7.562 8.033 -0.471 17762 758 1 2 . 1 1 37 37 GLN N N 37 121.079 121.079 122.860 -1.781 17762 759 1 2 . 1 1 37 37 GLN HA H 37 4.554 4.554 4.394 0.160 17762 760 1 2 . 1 1 37 37 GLN CA C 37 52.858 52.858 56.797 -3.939 17762 761 1 2 . 1 1 37 37 GLN CB C 37 26.220 26.220 29.000 -2.780 17762 762 1 2 . 1 1 37 37 GLN H H 37 7.334 7.334 8.109 -0.775 17762 763 1 2 . 1 1 38 38 GLY N N 38 118.390 118.390 106.100 12.290 17762 764 1 2 . 1 1 38 38 GLY CA C 38 43.783 43.783 45.033 -1.250 17762 765 1 2 . 1 1 38 38 GLY H H 38 8.345 8.345 8.548 -0.203 17762 766 1 2 . 1 1 39 39 LYS N N 39 116.961 116.961 115.510 1.451 17762 767 1 2 . 1 1 39 39 LYS HA H 39 3.555 3.555 3.016 0.539 17762 768 1 2 . 1 1 39 39 LYS CA C 39 52.272 52.272 54.386 -2.114 17762 769 1 2 . 1 1 39 39 LYS CB C 39 31.196 31.196 33.798 -2.603 17762 770 1 2 . 1 1 39 39 LYS H H 39 7.222 7.222 7.208 0.014 17762 771 1 2 . 1 1 40 40 CYS N N 40 119.480 119.480 118.660 0.820 17762 772 1 2 . 1 1 40 40 CYS HA H 40 4.787 4.787 4.574 0.213 17762 773 1 2 . 1 1 40 40 CYS CA C 40 50.809 50.809 57.301 -6.492 17762 774 1 2 . 1 1 40 40 CYS CB C 40 34.101 34.101 28.851 5.250 17762 775 1 2 . 1 1 40 40 CYS H H 40 8.891 8.891 8.259 0.632 17762 776 1 2 . 1 1 41 41 LYS N N 41 130.320 130.320 125.879 4.441 17762 777 1 2 . 1 1 41 41 LYS HA H 41 4.550 4.550 4.655 -0.105 17762 778 1 2 . 1 1 41 41 LYS CA C 41 53.443 53.443 53.709 -0.266 17762 779 1 2 . 1 1 41 41 LYS CB C 41 31.489 31.489 32.801 -1.312 17762 780 1 2 . 1 1 41 41 LYS H H 41 7.902 7.902 8.504 -0.602 17762 781 1 2 . 1 1 42 42 PRO HA H 42 4.600 4.600 4.357 0.243 17762 782 1 2 . 1 1 42 42 PRO CA C 42 63.981 63.981 63.982 -0.001 17762 783 1 2 . 1 1 42 42 PRO CB C 42 29.732 29.732 32.511 -2.779 17762 784 1 2 . 1 1 43 43 VAL N N 43 111.738 111.738 111.244 0.494 17762 785 1 2 . 1 1 43 43 VAL HA H 43 5.302 5.302 4.937 0.365 17762 786 1 2 . 1 1 43 43 VAL CA C 43 56.663 56.663 59.254 -2.591 17762 787 1 2 . 1 1 43 43 VAL CB C 43 32.952 32.952 34.818 -1.866 17762 788 1 2 . 1 1 43 43 VAL H H 43 6.967 6.967 7.311 -0.344 17762 789 1 2 . 1 1 44 44 ASN N N 44 120.558 120.558 124.277 -3.719 17762 790 1 2 . 1 1 44 44 ASN HA H 44 4.770 4.770 5.103 -0.333 17762 791 1 2 . 1 1 44 44 ASN CA C 44 51.687 51.687 52.427 -0.740 17762 792 1 2 . 1 1 44 44 ASN CB C 44 41.734 41.734 42.646 -0.912 17762 793 1 2 . 1 1 44 44 ASN H H 44 8.741 8.741 9.141 -0.400 17762 794 1 2 . 1 1 45 45 THR N N 45 120.658 120.658 118.683 1.975 17762 795 1 2 . 1 1 45 45 THR HA H 45 5.142 5.142 4.389 0.753 17762 796 1 2 . 1 1 45 45 THR CA C 45 59.005 59.005 61.691 -2.686 17762 797 1 2 . 1 1 45 45 THR CB C 45 68.079 68.079 68.718 -0.639 17762 798 1 2 . 1 1 45 45 THR H H 45 6.938 6.938 8.179 -1.241 17762 799 1 2 . 1 1 46 46 PHE N N 46 125.168 125.168 127.205 -2.037 17762 800 1 2 . 1 1 46 46 PHE HA H 46 4.916 4.916 4.688 0.228 17762 801 1 2 . 1 1 46 46 PHE CA C 46 54.321 54.321 54.902 -0.581 17762 802 1 2 . 1 1 46 46 PHE CB C 46 26.692 26.692 37.948 -11.256 17762 803 1 2 . 1 1 46 46 PHE H H 46 9.318 9.318 9.099 0.219 17762 804 1 2 . 1 1 47 47 VAL N N 47 121.430 121.430 123.835 -2.405 17762 805 1 2 . 1 1 47 47 VAL HA H 47 4.212 4.212 3.852 0.360 17762 806 1 2 . 1 1 47 47 VAL CA C 47 59.280 59.280 62.990 -3.710 17762 807 1 2 . 1 1 47 47 VAL CB C 47 30.025 30.025 31.551 -1.526 17762 808 1 2 . 1 1 47 47 VAL H H 47 9.333 9.333 8.955 0.378 17762 809 1 2 . 1 1 48 48 HIS N N 48 125.243 125.243 126.918 -1.675 17762 810 1 2 . 1 1 48 48 HIS HA H 48 5.314 5.314 5.344 -0.030 17762 811 1 2 . 1 1 48 48 HIS CA C 48 51.979 51.979 54.440 -2.461 17762 812 1 2 . 1 1 48 48 HIS CB C 48 25.634 25.634 32.800 -7.166 17762 813 1 2 . 1 1 48 48 HIS H H 48 8.772 8.772 8.903 -0.131 17762 814 1 2 . 1 1 49 49 GLU N N 49 117.070 117.070 123.400 -6.330 17762 815 1 2 . 1 1 49 49 GLU HA H 49 4.763 4.763 4.044 0.719 17762 816 1 2 . 1 1 49 49 GLU CA C 49 51.101 51.101 55.927 -4.826 17762 817 1 2 . 1 1 49 49 GLU CB C 49 28.269 28.269 32.361 -4.092 17762 818 1 2 . 1 1 49 49 GLU H H 49 6.558 6.558 7.974 -1.416 17762 819 1 2 . 1 1 50 50 SER N N 50 117.468 117.468 118.592 -1.124 17762 820 1 2 . 1 1 50 50 SER HA H 50 4.240 4.240 4.362 -0.122 17762 821 1 2 . 1 1 50 50 SER CA C 50 55.199 55.199 58.501 -3.302 17762 822 1 2 . 1 1 50 50 SER CB C 50 61.932 61.932 63.365 -1.433 17762 823 1 2 . 1 1 50 50 SER H H 50 9.589 9.589 8.571 1.018 17762 824 1 2 . 1 1 51 51 LEU N N 51 124.046 124.046 130.363 -6.317 17762 825 1 2 . 1 1 51 51 LEU HA H 51 4.088 4.088 3.943 0.145 17762 826 1 2 . 1 1 51 51 LEU CA C 51 55.785 55.785 58.374 -2.589 17762 827 1 2 . 1 1 51 51 LEU CB C 51 38.514 38.514 41.752 -3.238 17762 828 1 2 . 1 1 51 51 LEU H H 51 8.783 8.783 8.853 -0.070 17762 829 1 2 . 1 1 52 52 ALA N N 52 120.494 120.494 118.359 2.135 17762 830 1 2 . 1 1 52 52 ALA HA H 52 3.959 3.959 3.939 0.020 17762 831 1 2 . 1 1 52 52 ALA CA C 52 52.858 52.858 54.888 -2.030 17762 832 1 2 . 1 1 52 52 ALA CB C 52 15.682 15.682 17.845 -2.163 17762 833 1 2 . 1 1 52 52 ALA H H 52 8.462 8.462 8.420 0.042 17762 834 1 2 . 1 1 53 53 ASP N N 53 120.265 120.265 119.860 0.405 17762 835 1 2 . 1 1 53 53 ASP HA H 53 4.372 4.372 4.444 -0.072 17762 836 1 2 . 1 1 53 53 ASP CA C 53 54.907 54.907 57.097 -2.190 17762 837 1 2 . 1 1 53 53 ASP CB C 53 37.050 37.050 40.796 -3.746 17762 838 1 2 . 1 1 53 53 ASP H H 53 7.835 7.835 7.786 0.049 17762 839 1 2 . 1 1 54 54 VAL N N 54 121.771 121.771 120.292 1.479 17762 840 1 2 . 1 1 54 54 VAL HA H 54 3.703 3.703 3.652 0.051 17762 841 1 2 . 1 1 54 54 VAL CA C 54 64.274 64.274 66.948 -2.674 17762 842 1 2 . 1 1 54 54 VAL CB C 54 29.147 29.147 31.407 -2.260 17762 843 1 2 . 1 1 54 54 VAL H H 54 7.879 7.879 7.561 0.318 17762 844 1 2 . 1 1 55 55 LYS N N 55 119.973 119.973 119.132 0.841 17762 845 1 2 . 1 1 55 55 LYS HA H 55 3.641 3.641 3.913 -0.272 17762 846 1 2 . 1 1 55 55 LYS CA C 55 57.839 57.839 59.428 -1.589 17762 847 1 2 . 1 1 55 55 LYS CB C 55 29.732 29.732 32.022 -2.290 17762 848 1 2 . 1 1 55 55 LYS H H 55 9.000 9.000 7.662 1.338 17762 849 1 2 . 1 1 56 56 ALA N N 56 120.213 120.213 121.290 -1.077 17762 850 1 2 . 1 1 56 56 ALA HA H 56 4.015 4.015 3.983 0.032 17762 851 1 2 . 1 1 56 56 ALA CA C 56 51.394 51.394 54.963 -3.569 17762 852 1 2 . 1 1 56 56 ALA CB C 56 14.803 14.803 18.383 -3.580 17762 853 1 2 . 1 1 56 56 ALA H H 56 7.534 7.534 7.740 -0.206 17762 854 1 2 . 1 1 57 57 VAL N N 57 121.006 121.006 119.324 1.682 17762 855 1 2 . 1 1 57 57 VAL HA H 57 3.203 3.203 3.608 -0.405 17762 856 1 2 . 1 1 57 57 VAL CA C 57 63.396 63.396 66.860 -3.464 17762 857 1 2 . 1 1 57 57 VAL CB C 57 28.561 28.561 30.784 -2.223 17762 858 1 2 . 1 1 57 57 VAL H H 57 7.575 7.575 8.455 -0.880 17762 859 1 2 . 1 1 58 58 CYS N N 58 113.037 113.037 115.722 -2.685 17762 860 1 2 . 1 1 58 58 CYS HA H 58 3.520 3.520 3.895 -0.375 17762 861 1 2 . 1 1 58 58 CYS CA C 58 51.979 51.979 60.289 -8.310 17762 862 1 2 . 1 1 58 58 CYS CB C 58 36.465 36.465 26.038 10.427 17762 863 1 2 . 1 1 58 58 CYS H H 58 6.809 6.809 7.632 -0.823 17762 864 1 2 . 1 1 59 59 SER N N 59 113.164 113.164 115.307 -2.143 17762 865 1 2 . 1 1 59 59 SER HA H 59 4.569 4.569 4.295 0.274 17762 866 1 2 . 1 1 59 59 SER CA C 59 55.785 55.785 58.821 -3.036 17762 867 1 2 . 1 1 59 59 SER CB C 59 61.054 61.054 62.473 -1.419 17762 868 1 2 . 1 1 59 59 SER H H 59 7.480 7.480 7.953 -0.473 17762 869 1 2 . 1 1 60 60 GLN N N 60 124.351 124.351 120.949 3.402 17762 870 1 2 . 1 1 60 60 GLN HA H 60 4.599 4.599 4.651 -0.052 17762 871 1 2 . 1 1 60 60 GLN CA C 60 52.565 52.565 55.590 -3.025 17762 872 1 2 . 1 1 60 60 GLN CB C 60 22.414 22.414 31.265 -8.851 17762 873 1 2 . 1 1 60 60 GLN H H 60 7.702 7.702 7.771 -0.069 17762 874 1 2 . 1 1 61 61 LYS N N 61 122.353 122.353 122.378 -0.025 17762 875 1 2 . 1 1 61 61 LYS HA H 61 4.261 4.261 4.479 -0.218 17762 876 1 2 . 1 1 61 61 LYS CA C 61 54.614 54.614 55.350 -0.736 17762 877 1 2 . 1 1 61 61 LYS CB C 61 31.489 31.489 32.889 -1.400 17762 878 1 2 . 1 1 61 61 LYS H H 61 7.540 7.540 8.239 -0.699 17762 879 1 2 . 1 1 62 62 LYS N N 62 129.878 129.878 127.043 2.835 17762 880 1 2 . 1 1 62 62 LYS HA H 62 4.050 4.050 3.297 0.753 17762 881 1 2 . 1 1 62 62 LYS CA C 62 54.907 54.907 56.573 -1.666 17762 882 1 2 . 1 1 62 62 LYS CB C 62 30.318 30.318 32.015 -1.697 17762 883 1 2 . 1 1 62 62 LYS H H 62 8.408 8.408 8.373 0.035 17762 884 1 2 . 1 1 63 63 VAL N N 63 121.631 121.631 123.175 -1.544 17762 885 1 2 . 1 1 63 63 VAL HA H 63 4.516 4.516 4.488 0.028 17762 886 1 2 . 1 1 63 63 VAL CA C 63 56.663 56.663 59.242 -2.579 17762 887 1 2 . 1 1 63 63 VAL CB C 63 33.538 33.538 34.495 -0.957 17762 888 1 2 . 1 1 63 63 VAL H H 63 8.317 8.317 8.334 -0.017 17762 889 1 2 . 1 1 64 64 THR N N 64 116.885 116.885 119.328 -2.443 17762 890 1 2 . 1 1 64 64 THR HA H 64 4.296 4.296 4.319 -0.023 17762 891 1 2 . 1 1 64 64 THR CA C 64 60.468 60.468 62.709 -2.241 17762 892 1 2 . 1 1 64 64 THR CB C 64 67.201 67.201 67.096 0.105 17762 893 1 2 . 1 1 64 64 THR H H 64 7.965 7.965 8.255 -0.290 17762 894 1 2 . 1 1 65 65 CYS N N 65 124.789 124.789 124.366 0.423 17762 895 1 2 . 1 1 65 65 CYS HA H 65 4.407 4.407 4.160 0.247 17762 896 1 2 . 1 1 65 65 CYS CA C 65 51.101 51.101 58.735 -7.634 17762 897 1 2 . 1 1 65 65 CYS CB C 65 36.465 36.465 27.682 8.783 17762 898 1 2 . 1 1 65 65 CYS H H 65 8.790 8.790 8.001 0.789 17762 899 1 2 . 1 1 66 66 LYS N N 66 128.070 128.070 126.271 1.799 17762 900 1 2 . 1 1 66 66 LYS HA H 66 3.993 3.993 4.084 -0.091 17762 901 1 2 . 1 1 66 66 LYS CA C 66 56.663 56.663 57.555 -0.892 17762 902 1 2 . 1 1 66 66 LYS CB C 66 28.854 28.854 30.078 -1.224 17762 903 1 2 . 1 1 66 66 LYS H H 66 10.959 10.959 8.877 2.082 17762 904 1 2 . 1 1 67 67 ASP N N 67 117.000 117.000 119.808 -2.808 17762 905 1 2 . 1 1 67 67 ASP HA H 67 4.459 4.459 4.512 -0.053 17762 906 1 2 . 1 1 67 67 ASP CA C 67 50.809 50.809 54.372 -3.563 17762 907 1 2 . 1 1 67 67 ASP CB C 67 37.636 37.636 41.342 -3.705 17762 908 1 2 . 1 1 67 67 ASP H H 67 8.021 8.021 8.543 -0.522 17762 909 1 2 . 1 1 68 68 GLY N N 68 108.831 108.831 110.837 -2.006 17762 910 1 2 . 1 1 68 68 GLY CA C 68 42.612 42.612 46.104 -3.492 17762 911 1 2 . 1 1 68 68 GLY H H 68 8.029 8.029 7.985 0.044 17762 912 1 2 . 1 1 69 69 GLN N N 69 120.061 120.061 118.628 1.433 17762 913 1 2 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.486 -0.129 17762 914 1 2 . 1 1 69 69 GLN CA C 69 54.264 54.264 55.556 -1.292 17762 915 1 2 . 1 1 69 69 GLN CB C 69 27.683 27.683 30.635 -2.952 17762 916 1 2 . 1 1 69 69 GLN H H 69 8.115 8.115 9.145 -1.030 17762 917 1 2 . 1 1 70 70 THR N N 70 112.531 112.531 116.069 -3.538 17762 918 1 2 . 1 1 70 70 THR HA H 70 4.475 4.475 4.225 0.250 17762 919 1 2 . 1 1 70 70 THR CA C 70 58.712 58.712 62.569 -3.857 17762 920 1 2 . 1 1 70 70 THR CB C 70 67.201 67.201 69.440 -2.239 17762 921 1 2 . 1 1 70 70 THR H H 70 8.553 8.553 8.832 -0.279 17762 922 1 2 . 1 1 71 71 ASN N N 71 119.619 119.619 123.403 -3.784 17762 923 1 2 . 1 1 71 71 ASN HA H 71 4.847 4.847 4.763 0.084 17762 924 1 2 . 1 1 71 71 ASN CA C 71 50.516 50.516 51.785 -1.269 17762 925 1 2 . 1 1 71 71 ASN CB C 71 35.587 35.587 37.527 -1.940 17762 926 1 2 . 1 1 71 71 ASN H H 71 8.219 8.219 8.693 -0.473 17762 927 1 2 . 1 1 72 72 CYS N N 72 118.100 118.100 119.209 -1.109 17762 928 1 2 . 1 1 72 72 CYS HA H 72 5.424 5.424 5.453 -0.029 17762 929 1 2 . 1 1 72 72 CYS CA C 72 56.956 56.956 56.105 0.851 17762 930 1 2 . 1 1 72 72 CYS CB C 72 43.198 43.198 28.798 14.400 17762 931 1 2 . 1 1 72 72 CYS H H 72 7.477 7.477 7.973 -0.496 17762 932 1 2 . 1 1 73 73 TYR N N 73 119.843 119.843 120.622 -0.779 17762 933 1 2 . 1 1 73 73 TYR HA H 73 5.121 5.121 5.076 0.045 17762 934 1 2 . 1 1 73 73 TYR CA C 73 55.199 55.199 56.841 -1.642 17762 935 1 2 . 1 1 73 73 TYR CB C 73 41.441 41.441 42.577 -1.136 17762 936 1 2 . 1 1 73 73 TYR H H 73 8.983 8.983 9.281 -0.298 17762 937 1 2 . 1 1 74 74 GLN N N 74 123.174 123.174 123.307 -0.133 17762 938 1 2 . 1 1 74 74 GLN HA H 74 5.408 5.408 4.899 0.509 17762 939 1 2 . 1 1 74 74 GLN CA C 74 49.930 49.930 54.394 -4.464 17762 940 1 2 . 1 1 74 74 GLN H H 74 9.477 9.477 9.155 0.322 17762 941 1 2 . 1 1 75 75 SER N N 75 122.742 122.742 124.158 -1.416 17762 942 1 2 . 1 1 75 75 SER HA H 75 4.679 4.679 4.485 0.194 17762 943 1 2 . 1 1 75 75 SER CA C 75 55.764 55.764 58.926 -3.162 17762 944 1 2 . 1 1 75 75 SER CB C 75 62.424 62.424 64.171 -1.747 17762 945 1 2 . 1 1 75 75 SER H H 75 9.286 9.286 8.873 0.413 17762 946 1 2 . 1 1 76 76 LYS N N 76 127.293 127.293 121.797 5.496 17762 947 1 2 . 1 1 76 76 LYS HA H 76 4.202 4.202 4.084 0.118 17762 948 1 2 . 1 1 76 76 LYS CA C 76 56.370 56.370 58.700 -2.330 17762 949 1 2 . 1 1 76 76 LYS CB C 76 30.318 30.318 32.547 -2.229 17762 950 1 2 . 1 1 76 76 LYS H H 76 8.938 8.938 8.591 0.347 17762 951 1 2 . 1 1 77 77 SER N N 77 114.297 114.297 112.708 1.589 17762 952 1 2 . 1 1 77 77 SER HA H 77 4.888 4.888 4.709 0.179 17762 953 1 2 . 1 1 77 77 SER CA C 77 53.736 53.736 56.833 -3.097 17762 954 1 2 . 1 1 77 77 SER CB C 77 62.810 62.810 65.053 -2.243 17762 955 1 2 . 1 1 77 77 SER H H 77 8.592 8.592 8.018 0.574 17762 956 1 2 . 1 1 78 78 THR N N 78 113.859 113.859 112.760 1.099 17762 957 1 2 . 1 1 78 78 THR HA H 78 3.254 3.254 4.303 -1.049 17762 958 1 2 . 1 1 78 78 THR CA C 78 59.883 59.883 61.815 -1.932 17762 959 1 2 . 1 1 78 78 THR CB C 78 66.908 66.908 69.380 -2.472 17762 960 1 2 . 1 1 78 78 THR H H 78 8.134 8.134 8.258 -0.124 17762 961 1 2 . 1 1 79 79 MET N N 79 121.299 121.299 121.179 0.120 17762 962 1 2 . 1 1 79 79 MET HA H 79 4.643 4.643 4.821 -0.178 17762 963 1 2 . 1 1 79 79 MET CA C 79 52.858 52.858 54.586 -1.728 17762 964 1 2 . 1 1 79 79 MET CB C 79 34.416 34.416 37.932 -3.516 17762 965 1 2 . 1 1 79 79 MET H H 79 8.508 8.508 9.039 -0.531 17762 966 1 2 . 1 1 80 80 ARG N N 80 122.767 122.767 123.539 -0.772 17762 967 1 2 . 1 1 80 80 ARG HA H 80 4.376 4.376 4.739 -0.363 17762 968 1 2 . 1 1 80 80 ARG CA C 80 54.907 54.907 56.218 -1.311 17762 969 1 2 . 1 1 80 80 ARG CB C 80 27.391 27.391 31.355 -3.964 17762 970 1 2 . 1 1 80 80 ARG H H 80 9.508 9.508 9.753 -0.245 17762 971 1 2 . 1 1 81 81 ILE N N 81 120.594 120.594 124.412 -3.818 17762 972 1 2 . 1 1 81 81 ILE HA H 81 5.284 5.284 4.879 0.405 17762 973 1 2 . 1 1 81 81 ILE CA C 81 56.663 56.663 58.893 -2.230 17762 974 1 2 . 1 1 81 81 ILE CB C 81 39.978 39.978 38.032 1.946 17762 975 1 2 . 1 1 81 81 ILE H H 81 8.645 8.645 9.244 -0.599 17762 976 1 2 . 1 1 82 82 THR N N 82 119.200 119.200 124.260 -5.060 17762 977 1 2 . 1 1 82 82 THR HA H 82 5.020 5.020 4.253 0.767 17762 978 1 2 . 1 1 82 82 THR CA C 82 60.176 60.176 63.532 -3.356 17762 979 1 2 . 1 1 82 82 THR CB C 82 68.372 68.372 67.774 0.598 17762 980 1 2 . 1 1 82 82 THR H H 82 9.256 9.256 8.976 0.280 17762 981 1 2 . 1 1 83 83 ASP N N 83 127.841 127.841 128.703 -0.862 17762 982 1 2 . 1 1 83 83 ASP HA H 83 5.029 5.029 4.468 0.561 17762 983 1 2 . 1 1 83 83 ASP CA C 83 51.101 51.101 55.283 -4.182 17762 984 1 2 . 1 1 83 83 ASP CB C 83 40.563 40.563 41.743 -1.180 17762 985 1 2 . 1 1 83 83 ASP H H 83 9.241 9.241 8.692 0.549 17762 986 1 2 . 1 1 84 84 CYS N N 84 122.123 122.123 127.608 -5.485 17762 987 1 2 . 1 1 84 84 CYS HA H 84 5.940 5.940 5.083 0.857 17762 988 1 2 . 1 1 84 84 CYS CA C 84 49.345 49.345 56.842 -7.497 17762 989 1 2 . 1 1 84 84 CYS CB C 84 36.465 36.465 27.092 9.373 17762 990 1 2 . 1 1 84 84 CYS H H 84 8.808 8.808 8.782 0.026 17762 991 1 2 . 1 1 85 85 ARG N N 85 122.200 122.200 127.779 -5.579 17762 992 1 2 . 1 1 85 85 ARG HA H 85 5.412 5.412 5.399 0.013 17762 993 1 2 . 1 1 85 85 ARG CA C 85 52.272 52.272 54.116 -1.844 17762 994 1 2 . 1 1 85 85 ARG CB C 85 30.903 30.903 35.181 -4.278 17762 995 1 2 . 1 1 85 85 ARG H H 85 8.204 8.204 9.068 -0.864 17762 996 1 2 . 1 1 86 86 GLU N N 86 128.674 128.674 121.539 7.135 17762 997 1 2 . 1 1 86 86 GLU HA H 86 4.288 4.288 4.784 -0.496 17762 998 1 2 . 1 1 86 86 GLU CA C 86 55.199 55.199 55.033 0.166 17762 999 1 2 . 1 1 86 86 GLU CB C 86 29.732 29.732 30.313 -0.581 17762 1000 1 2 . 1 1 86 86 GLU H H 86 8.762 8.762 8.500 0.262 17762 1001 1 2 . 1 1 87 87 THR N N 87 115.660 115.660 111.933 3.727 17762 1002 1 2 . 1 1 87 87 THR HA H 87 4.507 4.507 4.414 0.093 17762 1003 1 2 . 1 1 87 87 THR CA C 87 58.127 58.127 60.015 -1.888 17762 1004 1 2 . 1 1 87 87 THR CB C 87 68.665 68.665 69.556 -0.891 17762 1005 1 2 . 1 1 87 87 THR H H 87 8.118 8.118 8.760 -0.642 17762 1006 1 2 . 1 1 88 88 GLY N N 88 107.768 107.768 110.116 -2.348 17762 1007 1 2 . 1 1 88 88 GLY CA C 88 43.490 43.490 45.219 -1.729 17762 1008 1 2 . 1 1 88 88 GLY H H 88 8.774 8.774 8.769 0.005 17762 1009 1 2 . 1 1 89 89 SER N N 89 112.931 112.931 115.720 -2.789 17762 1010 1 2 . 1 1 89 89 SER HA H 89 4.503 4.503 4.384 0.119 17762 1011 1 2 . 1 1 89 89 SER CA C 89 55.199 55.199 57.559 -2.360 17762 1012 1 2 . 1 1 89 89 SER CB C 89 61.054 61.054 64.518 -3.464 17762 1013 1 2 . 1 1 89 89 SER H H 89 7.597 7.597 8.228 -0.631 17762 1014 1 2 . 1 1 90 90 SER N N 90 118.245 118.245 119.510 -1.265 17762 1015 1 2 . 1 1 90 90 SER HA H 90 3.943 3.943 4.172 -0.229 17762 1016 1 2 . 1 1 90 90 SER CA C 90 56.370 56.370 59.997 -3.627 17762 1017 1 2 . 1 1 90 90 SER CB C 90 60.468 60.468 63.345 -2.877 17762 1018 1 2 . 1 1 90 90 SER H H 90 6.989 6.989 7.990 -1.001 17762 1019 1 2 . 1 1 91 91 LYS N N 91 129.777 129.777 128.179 1.598 17762 1020 1 2 . 1 1 91 91 LYS HA H 91 4.431 4.431 4.591 -0.160 17762 1021 1 2 . 1 1 91 91 LYS CA C 91 53.443 53.443 54.317 -0.874 17762 1022 1 2 . 1 1 91 91 LYS CB C 91 31.489 31.489 33.217 -1.728 17762 1023 1 2 . 1 1 91 91 LYS H H 91 7.527 7.527 8.701 -1.174 17762 1024 1 2 . 1 1 92 92 TYR N N 92 131.912 131.912 124.775 7.137 17762 1025 1 2 . 1 1 92 92 TYR HA H 92 3.718 3.718 4.388 -0.670 17762 1026 1 2 . 1 1 92 92 TYR CA C 92 56.078 56.078 58.135 -2.057 17762 1027 1 2 . 1 1 92 92 TYR CB C 92 35.880 35.880 38.557 -2.678 17762 1028 1 2 . 1 1 92 92 TYR H H 92 9.290 9.290 8.603 0.687 17762 1029 1 2 . 1 1 93 93 PRO HA H 93 3.028 3.028 3.723 -0.695 17762 1030 1 2 . 1 1 93 93 PRO CA C 93 61.347 61.347 63.252 -1.905 17762 1031 1 2 . 1 1 93 93 PRO CB C 93 31.196 31.196 32.352 -1.156 17762 1032 1 2 . 1 1 94 94 ASN N N 94 130.934 130.934 119.921 11.013 17762 1033 1 2 . 1 1 94 94 ASN HA H 94 4.943 4.943 4.680 0.263 17762 1034 1 2 . 1 1 94 94 ASN CA C 94 49.630 49.630 52.884 -3.254 17762 1035 1 2 . 1 1 94 94 ASN CB C 94 35.001 35.001 37.519 -2.518 17762 1036 1 2 . 1 1 94 94 ASN H H 94 8.823 8.823 8.315 0.508 17762 1037 1 2 . 1 1 95 95 CYS N N 95 122.402 122.402 120.111 2.291 17762 1038 1 2 . 1 1 95 95 CYS HA H 95 4.840 4.840 4.433 0.407 17762 1039 1 2 . 1 1 95 95 CYS CA C 95 50.516 50.516 58.402 -7.886 17762 1040 1 2 . 1 1 95 95 CYS CB C 95 35.880 35.880 27.267 8.613 17762 1041 1 2 . 1 1 95 95 CYS H H 95 7.687 7.687 8.115 -0.428 17762 1042 1 2 . 1 1 96 96 ALA N N 96 129.346 129.346 132.486 -3.140 17762 1043 1 2 . 1 1 96 96 ALA HA H 96 4.746 4.746 4.743 0.003 17762 1044 1 2 . 1 1 96 96 ALA CA C 96 49.052 49.052 50.828 -1.776 17762 1045 1 2 . 1 1 96 96 ALA CB C 96 19.194 19.194 20.874 -1.680 17762 1046 1 2 . 1 1 96 96 ALA H H 96 8.634 8.634 8.631 0.003 17762 1047 1 2 . 1 1 97 97 TYR N N 97 118.353 118.353 123.542 -5.189 17762 1048 1 2 . 1 1 97 97 TYR HA H 97 4.904 4.904 5.292 -0.388 17762 1049 1 2 . 1 1 97 97 TYR CA C 97 55.785 55.785 57.843 -2.058 17762 1050 1 2 . 1 1 97 97 TYR CB C 97 41.441 41.441 40.959 0.482 17762 1051 1 2 . 1 1 97 97 TYR H H 97 9.368 9.368 8.259 1.109 17762 1052 1 2 . 1 1 98 98 LYS N N 98 125.559 125.559 122.340 3.219 17762 1053 1 2 . 1 1 98 98 LYS HA H 98 4.743 4.743 4.807 -0.064 17762 1054 1 2 . 1 1 98 98 LYS CA C 98 52.565 52.565 54.609 -2.044 17762 1055 1 2 . 1 1 98 98 LYS CB C 98 31.489 31.489 35.007 -3.518 17762 1056 1 2 . 1 1 98 98 LYS H H 98 9.427 9.427 9.315 0.112 17762 1057 1 2 . 1 1 99 99 THR N N 99 126.667 126.667 124.347 2.320 17762 1058 1 2 . 1 1 99 99 THR HA H 99 5.243 5.243 4.379 0.864 17762 1059 1 2 . 1 1 99 99 THR CA C 99 60.176 60.176 63.653 -3.477 17762 1060 1 2 . 1 1 99 99 THR CB C 99 68.665 68.665 69.481 -0.815 17762 1061 1 2 . 1 1 99 99 THR H H 99 9.055 9.055 8.964 0.091 17762 1062 1 2 . 1 1 100 100 THR N N 100 124.517 124.517 120.141 4.376 17762 1063 1 2 . 1 1 100 100 THR HA H 100 4.637 4.637 4.578 0.059 17762 1064 1 2 . 1 1 100 100 THR CA C 100 59.883 59.883 61.408 -1.525 17762 1065 1 2 . 1 1 100 100 THR CB C 100 68.372 68.372 69.617 -1.245 17762 1066 1 2 . 1 1 100 100 THR H H 100 8.855 8.855 8.687 0.168 17762 1067 1 2 . 1 1 101 101 GLN N N 101 128.586 128.586 127.297 1.289 17762 1068 1 2 . 1 1 101 101 GLN HA H 101 5.180 5.180 4.467 0.713 17762 1069 1 2 . 1 1 101 101 GLN CA C 101 53.150 53.150 56.662 -3.512 17762 1070 1 2 . 1 1 101 101 GLN CB C 101 27.098 27.098 28.840 -1.742 17762 1071 1 2 . 1 1 101 101 GLN H H 101 8.823 8.823 8.548 0.275 17762 1072 1 2 . 1 1 102 102 VAL N N 102 121.495 121.495 121.799 -0.304 17762 1073 1 2 . 1 1 102 102 VAL HA H 102 4.639 4.639 4.535 0.104 17762 1074 1 2 . 1 1 102 102 VAL CA C 102 57.834 57.834 59.451 -1.617 17762 1075 1 2 . 1 1 102 102 VAL CB C 102 34.123 34.123 35.235 -1.112 17762 1076 1 2 . 1 1 102 102 VAL H H 102 8.643 8.643 9.034 -0.391 17762 1077 1 2 . 1 1 103 103 GLU N N 103 122.031 122.031 124.234 -2.203 17762 1078 1 2 . 1 1 103 103 GLU HA H 103 5.400 5.400 4.917 0.483 17762 1079 1 2 . 1 1 103 103 GLU CA C 103 52.565 52.565 54.753 -2.188 17762 1080 1 2 . 1 1 103 103 GLU CB C 103 28.269 28.269 28.547 -0.278 17762 1081 1 2 . 1 1 103 103 GLU H H 103 8.068 8.068 8.656 -0.588 17762 1082 1 2 . 1 1 104 104 LYS N N 104 122.283 122.283 123.478 -1.195 17762 1083 1 2 . 1 1 104 104 LYS HA H 104 4.795 4.795 4.619 0.176 17762 1084 1 2 . 1 1 104 104 LYS CA C 104 51.979 51.979 53.757 -1.778 17762 1085 1 2 . 1 1 104 104 LYS CB C 104 37.050 37.050 36.467 0.583 17762 1086 1 2 . 1 1 104 104 LYS H H 104 8.336 8.336 8.073 0.263 17762 1087 1 2 . 1 1 105 105 HIS N N 105 119.366 119.366 118.548 0.818 17762 1088 1 2 . 1 1 105 105 HIS HA H 105 4.407 4.407 4.832 -0.425 17762 1089 1 2 . 1 1 105 105 HIS CA C 105 54.321 54.321 57.053 -2.732 17762 1090 1 2 . 1 1 105 105 HIS CB C 105 25.341 25.341 29.555 -4.214 17762 1091 1 2 . 1 1 105 105 HIS H H 105 9.202 9.202 8.450 0.752 17762 1092 1 2 . 1 1 106 106 ILE N N 106 114.175 114.175 118.732 -4.557 17762 1093 1 2 . 1 1 106 106 ILE HA H 106 4.997 4.997 4.485 0.512 17762 1094 1 2 . 1 1 106 106 ILE CA C 106 57.541 57.541 61.236 -3.695 17762 1095 1 2 . 1 1 106 106 ILE CB C 106 38.807 38.807 38.770 0.036 17762 1096 1 2 . 1 1 106 106 ILE H H 106 8.447 8.447 8.998 -0.551 17762 1097 1 2 . 1 1 107 107 ILE N N 107 122.400 122.400 126.364 -3.964 17762 1098 1 2 . 1 1 107 107 ILE HA H 107 5.296 5.296 5.015 0.281 17762 1099 1 2 . 1 1 107 107 ILE CA C 107 57.541 57.541 58.959 -1.418 17762 1100 1 2 . 1 1 107 107 ILE CB C 107 36.758 36.758 37.030 -0.272 17762 1101 1 2 . 1 1 107 107 ILE H H 107 8.314 8.314 9.011 -0.697 17762 1102 1 2 . 1 1 108 108 VAL N N 108 118.187 118.187 123.956 -5.769 17762 1103 1 2 . 1 1 108 108 VAL HA H 108 4.888 4.888 4.627 0.261 17762 1104 1 2 . 1 1 108 108 VAL CA C 108 55.199 55.199 58.932 -3.733 17762 1105 1 2 . 1 1 108 108 VAL CB C 108 32.074 32.074 35.476 -3.402 17762 1106 1 2 . 1 1 108 108 VAL H H 108 8.907 8.907 9.114 -0.207 17762 1107 1 2 . 1 1 109 109 ALA N N 109 122.660 122.660 126.918 -4.258 17762 1108 1 2 . 1 1 109 109 ALA HA H 109 5.296 5.296 4.492 0.804 17762 1109 1 2 . 1 1 109 109 ALA CA C 109 48.174 48.174 50.827 -2.653 17762 1110 1 2 . 1 1 109 109 ALA CB C 109 19.194 19.194 19.125 0.069 17762 1111 1 2 . 1 1 109 109 ALA H H 109 8.706 8.706 8.573 0.133 17762 1112 1 2 . 1 1 110 110 CYS N N 110 120.404 120.404 124.185 -3.781 17762 1113 1 2 . 1 1 110 110 CYS HA H 110 5.680 5.680 5.205 0.475 17762 1114 1 2 . 1 1 110 110 CYS CA C 110 53.443 53.443 57.516 -4.073 17762 1115 1 2 . 1 1 110 110 CYS CB C 110 47.003 47.003 28.649 18.354 17762 1116 1 2 . 1 1 110 110 CYS H H 110 8.797 8.797 8.612 0.185 17762 1117 1 2 . 1 1 111 111 GLY N N 111 111.123 111.123 112.637 -1.514 17762 1118 1 2 . 1 1 111 111 GLY CA C 111 42.905 42.905 45.654 -2.748 17762 1119 1 2 . 1 1 111 111 GLY H H 111 9.107 9.107 8.918 0.189 17762 1120 1 2 . 1 1 112 112 GLY N N 112 107.554 107.554 107.001 0.553 17762 1121 1 2 . 1 1 112 112 GLY CA C 112 40.856 40.856 45.211 -4.355 17762 1122 1 2 . 1 1 112 112 GLY H H 112 8.206 8.206 8.147 0.059 17762 1123 1 2 . 1 1 113 113 LYS N N 113 118.578 118.578 119.186 -0.608 17762 1124 1 2 . 1 1 113 113 LYS HA H 113 4.384 4.384 4.091 0.293 17762 1125 1 2 . 1 1 113 113 LYS CA C 113 51.100 51.100 55.826 -4.726 17762 1126 1 2 . 1 1 113 113 LYS CB C 113 32.367 32.367 31.788 0.579 17762 1127 1 2 . 1 1 113 113 LYS H H 113 7.774 7.774 8.112 -0.338 17762 1128 1 2 . 1 1 114 114 PRO HA H 114 4.615 4.615 4.461 0.154 17762 1129 1 2 . 1 1 114 114 PRO C C 114 3.597 3.597 175.967 -172.370 17762 1130 1 2 . 1 1 114 114 PRO CA C 114 60.448 60.448 61.825 -1.377 17762 1131 1 2 . 1 1 114 114 PRO CB C 114 31.781 31.781 32.721 -0.940 17762 1132 1 2 . 1 1 115 115 SER N N 115 116.201 116.201 115.663 0.538 17762 1133 1 2 . 1 1 115 115 SER HA H 115 3.954 3.954 4.212 -0.258 17762 1134 1 2 . 1 1 115 115 SER CA C 115 56.078 56.078 58.683 -2.605 17762 1135 1 2 . 1 1 115 115 SER CB C 115 60.761 60.761 62.291 -1.530 17762 1136 1 2 . 1 1 115 115 SER H H 115 8.201 8.201 8.348 -0.147 17762 1137 1 2 . 1 1 116 116 VAL N N 116 120.540 120.540 116.988 3.552 17762 1138 1 2 . 1 1 116 116 VAL HA H 116 4.858 4.858 4.761 0.097 17762 1139 1 2 . 1 1 116 116 VAL CA C 116 56.078 56.078 57.502 -1.423 17762 1140 1 2 . 1 1 116 116 VAL CB C 116 31.196 31.196 33.765 -2.569 17762 1141 1 2 . 1 1 116 116 VAL H H 116 8.511 8.511 8.774 -0.263 17762 1142 1 2 . 1 1 117 117 PRO HA H 117 4.508 4.508 4.813 -0.305 17762 1143 1 2 . 1 1 117 117 PRO CA C 117 60.468 60.468 62.709 -2.241 17762 1144 1 2 . 1 1 117 117 PRO CB C 117 27.391 27.391 32.556 -5.165 17762 1145 1 2 . 1 1 118 118 VAL N N 118 111.972 111.972 113.636 -1.664 17762 1146 1 2 . 1 1 118 118 VAL HA H 118 4.532 4.532 4.341 0.191 17762 1147 1 2 . 1 1 118 118 VAL CA C 118 58.419 58.419 61.110 -2.691 17762 1148 1 2 . 1 1 118 118 VAL CB C 118 31.781 31.781 33.529 -1.748 17762 1149 1 2 . 1 1 118 118 VAL H H 118 8.927 8.927 8.602 0.325 17762 1150 1 2 . 1 1 119 119 HIS N N 119 121.264 121.264 117.702 3.562 17762 1151 1 2 . 1 1 119 119 HIS HA H 119 5.324 5.324 4.072 1.252 17762 1152 1 2 . 1 1 119 119 HIS CA C 119 53.443 53.443 54.540 -1.097 17762 1153 1 2 . 1 1 119 119 HIS CB C 119 30.025 30.025 33.562 -3.537 17762 1154 1 2 . 1 1 119 119 HIS H H 119 7.616 7.616 6.815 0.801 17762 1155 1 2 . 1 1 120 120 PHE HA H 120 4.283 4.283 4.609 -0.326 17762 1156 1 2 . 1 1 120 120 PHE CA C 120 55.785 55.785 57.073 -1.288 17762 1157 1 2 . 1 1 120 120 PHE CB C 120 36.172 36.172 41.241 -5.069 17762 1158 1 2 . 1 1 121 121 ASP N N 121 131.399 131.399 126.364 5.035 17762 1159 1 2 . 1 1 121 121 ASP HA H 121 4.668 4.668 4.500 0.168 17762 1160 1 2 . 1 1 121 121 ASP CA C 121 54.614 54.614 53.710 0.904 17762 1161 1 2 . 1 1 121 121 ASP CB C 121 44.076 44.076 43.819 0.257 17762 1162 1 2 . 1 1 121 121 ASP H H 121 8.644 8.644 8.195 0.449 17762 1163 1 2 . 1 1 122 122 ALA N N 122 116.961 116.961 119.262 -2.301 17762 1164 1 2 . 1 1 122 122 ALA HA H 122 4.491 4.491 4.427 0.064 17762 1165 1 2 . 1 1 122 122 ALA CA C 122 49.345 49.345 51.673 -2.328 17762 1166 1 2 . 1 1 122 122 ALA CB C 122 19.194 19.194 20.933 -1.739 17762 1167 1 2 . 1 1 122 122 ALA H H 122 7.419 7.419 7.180 0.239 17762 1168 1 2 . 1 1 123 123 SER N N 123 112.579 112.579 114.925 -2.346 17762 1169 1 2 . 1 1 123 123 SER HA H 123 5.325 5.325 5.523 -0.198 17762 1170 1 2 . 1 1 123 123 SER CA C 123 54.321 54.321 57.501 -3.180 17762 1171 1 2 . 1 1 123 123 SER CB C 123 63.981 63.981 66.024 -2.043 17762 1172 1 2 . 1 1 123 123 SER H H 123 8.092 8.092 8.599 -0.507 17762 1173 1 3 . 1 1 2 2 GLU N N 2 126.119 126.119 120.951 5.168 17762 1174 1 3 . 1 1 2 2 GLU HA H 2 4.370 4.370 4.414 -0.044 17762 1175 1 3 . 1 1 2 2 GLU CA C 2 53.440 53.440 55.801 -2.361 17762 1176 1 3 . 1 1 2 2 GLU CB C 2 29.147 29.147 31.209 -2.062 17762 1177 1 3 . 1 1 2 2 GLU H H 2 8.448 8.448 9.007 -0.559 17762 1178 1 3 . 1 1 3 3 SER N N 3 124.530 124.530 115.055 9.475 17762 1179 1 3 . 1 1 3 3 SER HA H 3 4.500 4.500 4.550 -0.050 17762 1180 1 3 . 1 1 3 3 SER CA C 3 54.907 54.907 57.974 -3.067 17762 1181 1 3 . 1 1 3 3 SER CB C 3 62.511 62.511 63.621 -1.110 17762 1182 1 3 . 1 1 3 3 SER H H 3 8.755 8.755 8.326 0.429 17762 1183 1 3 . 1 1 4 4 ALA N N 4 125.341 125.341 124.344 0.997 17762 1184 1 3 . 1 1 4 4 ALA HA H 4 4.216 4.216 3.918 0.298 17762 1185 1 3 . 1 1 4 4 ALA CA C 4 52.858 52.858 54.590 -1.732 17762 1186 1 3 . 1 1 4 4 ALA CB C 4 15.389 15.389 17.319 -1.930 17762 1187 1 3 . 1 1 4 4 ALA H H 4 8.961 8.961 8.351 0.610 17762 1188 1 3 . 1 1 5 5 ALA N N 5 121.896 121.896 122.747 -0.851 17762 1189 1 3 . 1 1 5 5 ALA HA H 5 4.375 4.375 4.297 0.078 17762 1190 1 3 . 1 1 5 5 ALA CA C 5 52.565 52.565 55.547 -2.982 17762 1191 1 3 . 1 1 5 5 ALA CB C 5 15.974 15.974 18.766 -2.792 17762 1192 1 3 . 1 1 5 5 ALA H H 5 8.659 8.659 8.276 0.383 17762 1193 1 3 . 1 1 6 6 ALA N N 6 123.734 123.734 119.410 4.324 17762 1194 1 3 . 1 1 6 6 ALA HA H 6 4.216 4.216 4.258 -0.042 17762 1195 1 3 . 1 1 6 6 ALA CA C 6 52.272 52.272 54.897 -2.625 17762 1196 1 3 . 1 1 6 6 ALA CB C 6 15.389 15.389 18.369 -2.980 17762 1197 1 3 . 1 1 6 6 ALA H H 6 8.009 8.009 8.441 -0.432 17762 1198 1 3 . 1 1 7 7 LYS N N 7 123.118 123.118 119.617 3.501 17762 1199 1 3 . 1 1 7 7 LYS HA H 7 4.025 4.025 4.137 -0.112 17762 1200 1 3 . 1 1 7 7 LYS CA C 7 57.834 57.834 58.630 -0.796 17762 1201 1 3 . 1 1 7 7 LYS CB C 7 29.732 29.732 32.824 -3.092 17762 1202 1 3 . 1 1 7 7 LYS H H 7 8.737 8.737 7.655 1.082 17762 1203 1 3 . 1 1 8 8 PHE N N 8 120.604 120.604 121.258 -0.654 17762 1204 1 3 . 1 1 8 8 PHE HA H 8 4.388 4.388 4.110 0.278 17762 1205 1 3 . 1 1 8 8 PHE CA C 8 59.298 59.298 60.737 -1.439 17762 1206 1 3 . 1 1 8 8 PHE CB C 8 36.465 36.465 38.606 -2.141 17762 1207 1 3 . 1 1 8 8 PHE H H 8 8.058 8.058 8.727 -0.669 17762 1208 1 3 . 1 1 9 9 GLU N N 9 119.978 119.978 119.596 0.382 17762 1209 1 3 . 1 1 9 9 GLU HA H 9 3.742 3.742 3.458 0.284 17762 1210 1 3 . 1 1 9 9 GLU CA C 9 58.127 58.127 59.804 -1.677 17762 1211 1 3 . 1 1 9 9 GLU CB C 9 35.001 35.001 29.267 5.734 17762 1212 1 3 . 1 1 9 9 GLU H H 9 7.922 7.922 8.637 -0.715 17762 1213 1 3 . 1 1 10 10 ARG N N 10 120.914 120.914 115.916 4.998 17762 1214 1 3 . 1 1 10 10 ARG HA H 10 4.197 4.197 3.921 0.276 17762 1215 1 3 . 1 1 10 10 ARG CA C 10 56.663 56.663 57.379 -0.716 17762 1216 1 3 . 1 1 10 10 ARG CB C 10 27.683 27.683 29.794 -2.111 17762 1217 1 3 . 1 1 10 10 ARG H H 10 8.323 8.323 7.428 0.895 17762 1218 1 3 . 1 1 11 11 GLN N N 11 112.201 112.201 114.425 -2.224 17762 1219 1 3 . 1 1 11 11 GLN HA H 11 3.787 3.787 4.079 -0.292 17762 1220 1 3 . 1 1 11 11 GLN CA C 11 55.492 55.492 56.779 -1.288 17762 1221 1 3 . 1 1 11 11 GLN CB C 11 26.805 26.805 28.930 -2.125 17762 1222 1 3 . 1 1 11 11 GLN H H 11 8.425 8.425 7.884 0.541 17762 1223 1 3 . 1 1 12 12 HIS N N 12 106.607 106.607 112.997 -6.390 17762 1224 1 3 . 1 1 12 12 HIS HA H 12 4.943 4.943 4.462 0.481 17762 1225 1 3 . 1 1 12 12 HIS CA C 12 52.272 52.272 55.941 -3.669 17762 1226 1 3 . 1 1 12 12 HIS CB C 12 27.680 27.680 32.281 -4.601 17762 1227 1 3 . 1 1 12 12 HIS H H 12 7.708 7.708 7.745 -0.037 17762 1228 1 3 . 1 1 13 13 MET N N 13 117.217 117.217 120.592 -3.375 17762 1229 1 3 . 1 1 13 13 MET HA H 13 5.460 5.460 4.609 0.851 17762 1230 1 3 . 1 1 13 13 MET CA C 13 50.516 50.516 54.254 -3.738 17762 1231 1 3 . 1 1 13 13 MET CB C 13 27.098 27.098 31.695 -4.597 17762 1232 1 3 . 1 1 13 13 MET H H 13 8.037 8.037 7.594 0.443 17762 1233 1 3 . 1 1 14 14 ASP N N 14 123.910 123.910 123.783 0.127 17762 1234 1 3 . 1 1 14 14 ASP HA H 14 5.024 5.024 4.399 0.625 17762 1235 1 3 . 1 1 14 14 ASP CA C 14 51.101 51.101 52.425 -1.324 17762 1236 1 3 . 1 1 14 14 ASP CB C 14 37.636 37.636 38.531 -0.895 17762 1237 1 3 . 1 1 14 14 ASP H H 14 8.805 8.805 8.135 0.670 17762 1238 1 3 . 1 1 15 15 SER N N 15 121.832 121.832 117.014 4.818 17762 1239 1 3 . 1 1 15 15 SER HA H 15 4.202 4.202 3.674 0.528 17762 1240 1 3 . 1 1 15 15 SER CA C 15 58.127 58.127 58.230 -0.103 17762 1241 1 3 . 1 1 15 15 SER CB C 15 61.347 61.347 61.926 -0.579 17762 1242 1 3 . 1 1 15 15 SER H H 15 8.943 8.943 7.862 1.081 17762 1243 1 3 . 1 1 16 16 GLY N N 16 111.703 111.703 110.095 1.608 17762 1244 1 3 . 1 1 16 16 GLY CA C 16 42.905 42.905 44.378 -1.473 17762 1245 1 3 . 1 1 16 16 GLY H H 16 8.586 8.586 8.187 0.399 17762 1246 1 3 . 1 1 17 17 ASN N N 17 119.334 119.334 116.814 2.520 17762 1247 1 3 . 1 1 17 17 ASN HA H 17 4.660 4.660 5.041 -0.381 17762 1248 1 3 . 1 1 17 17 ASN CA C 17 50.223 50.223 52.767 -2.545 17762 1249 1 3 . 1 1 17 17 ASN CB C 17 37.346 37.346 39.076 -1.730 17762 1250 1 3 . 1 1 17 17 ASN H H 17 7.983 7.983 8.501 -0.518 17762 1251 1 3 . 1 1 18 18 SER N N 18 117.557 117.557 120.422 -2.865 17762 1252 1 3 . 1 1 18 18 SER HA H 18 4.187 4.187 5.049 -0.862 17762 1253 1 3 . 1 1 18 18 SER CA C 18 53.443 53.443 55.665 -2.222 17762 1254 1 3 . 1 1 18 18 SER CB C 18 60.468 60.468 64.504 -4.036 17762 1255 1 3 . 1 1 18 18 SER H H 18 8.291 8.291 8.604 -0.313 17762 1256 1 3 . 1 1 19 19 PRO HA H 19 4.204 4.204 4.573 -0.369 17762 1257 1 3 . 1 1 19 19 PRO CA C 19 60.468 60.468 62.612 -2.144 17762 1258 1 3 . 1 1 19 19 PRO CB C 19 29.147 29.147 32.109 -2.962 17762 1259 1 3 . 1 1 20 20 SER N N 20 115.589 115.589 114.157 1.432 17762 1260 1 3 . 1 1 20 20 SER HA H 20 4.370 4.370 4.405 -0.035 17762 1261 1 3 . 1 1 20 20 SER CA C 20 54.907 54.907 58.849 -3.942 17762 1262 1 3 . 1 1 20 20 SER CB C 20 61.347 61.347 63.618 -2.271 17762 1263 1 3 . 1 1 20 20 SER H H 20 8.118 8.118 8.297 -0.179 17762 1264 1 3 . 1 1 21 21 SER N N 21 118.787 118.787 119.041 -0.254 17762 1265 1 3 . 1 1 21 21 SER HA H 21 4.398 4.398 4.235 0.163 17762 1266 1 3 . 1 1 21 21 SER CA C 21 56.370 56.370 58.941 -2.571 17762 1267 1 3 . 1 1 21 21 SER CB C 21 61.639 61.639 62.636 -0.997 17762 1268 1 3 . 1 1 21 21 SER H H 21 8.406 8.406 8.434 -0.028 17762 1269 1 3 . 1 1 22 22 SER N N 22 116.967 116.967 116.882 0.085 17762 1270 1 3 . 1 1 22 22 SER HA H 22 4.579 4.579 4.139 0.440 17762 1271 1 3 . 1 1 22 22 SER CA C 22 56.076 56.076 61.169 -5.093 17762 1272 1 3 . 1 1 22 22 SER CB C 22 61.054 61.054 62.091 -1.037 17762 1273 1 3 . 1 1 22 22 SER H H 22 8.278 8.278 8.826 -0.548 17762 1274 1 3 . 1 1 23 23 SER N N 23 119.166 119.166 117.561 1.605 17762 1275 1 3 . 1 1 23 23 SER HA H 23 4.520 4.520 4.099 0.420 17762 1276 1 3 . 1 1 23 23 SER CA C 23 57.956 57.956 61.561 -3.605 17762 1277 1 3 . 1 1 23 23 SER CB C 23 61.639 61.639 62.938 -1.299 17762 1278 1 3 . 1 1 23 23 SER H H 23 8.376 8.376 8.275 0.101 17762 1279 1 3 . 1 1 24 24 ASN N N 24 120.511 120.511 120.843 -0.332 17762 1280 1 3 . 1 1 24 24 ASN HA H 24 4.940 4.940 4.373 0.567 17762 1281 1 3 . 1 1 24 24 ASN CA C 24 50.516 50.516 56.088 -5.572 17762 1282 1 3 . 1 1 24 24 ASN CB C 24 36.758 36.758 37.686 -0.928 17762 1283 1 3 . 1 1 24 24 ASN H H 24 8.483 8.483 8.056 0.427 17762 1284 1 3 . 1 1 25 25 TYR N N 25 121.549 121.549 118.666 2.883 17762 1285 1 3 . 1 1 25 25 TYR HA H 25 3.941 3.941 4.280 -0.339 17762 1286 1 3 . 1 1 25 25 TYR CA C 25 59.883 59.883 61.825 -1.942 17762 1287 1 3 . 1 1 25 25 TYR CB C 25 36.465 36.465 37.350 -0.885 17762 1288 1 3 . 1 1 25 25 TYR H H 25 7.765 7.765 7.617 0.148 17762 1289 1 3 . 1 1 26 26 CYS N N 26 115.301 115.301 118.200 -2.899 17762 1290 1 3 . 1 1 26 26 CYS HA H 26 3.784 3.784 3.496 0.288 17762 1291 1 3 . 1 1 26 26 CYS CA C 26 59.005 59.005 63.247 -4.242 17762 1292 1 3 . 1 1 26 26 CYS CB C 26 37.636 37.636 25.625 12.011 17762 1293 1 3 . 1 1 26 26 CYS H H 26 7.800 7.800 7.837 -0.037 17762 1294 1 3 . 1 1 27 27 ASN N N 27 120.386 120.386 117.919 2.467 17762 1295 1 3 . 1 1 27 27 ASN HA H 27 4.376 4.376 4.515 -0.139 17762 1296 1 3 . 1 1 27 27 ASN CA C 27 53.736 53.736 56.813 -3.077 17762 1297 1 3 . 1 1 27 27 ASN CB C 27 34.416 34.416 38.358 -3.942 17762 1298 1 3 . 1 1 27 27 ASN H H 27 7.774 7.774 8.147 -0.373 17762 1299 1 3 . 1 1 28 28 LEU N N 28 120.114 120.114 122.576 -2.462 17762 1300 1 3 . 1 1 28 28 LEU HA H 28 4.085 4.085 4.036 0.049 17762 1301 1 3 . 1 1 28 28 LEU CA C 28 55.199 55.199 58.453 -3.254 17762 1302 1 3 . 1 1 28 28 LEU CB C 28 39.978 39.978 41.390 -1.412 17762 1303 1 3 . 1 1 28 28 LEU H H 28 7.434 7.434 8.678 -1.244 17762 1304 1 3 . 1 1 29 29 MET N N 29 118.101 118.101 118.656 -0.555 17762 1305 1 3 . 1 1 29 29 MET HA H 29 4.189 4.189 3.910 0.279 17762 1306 1 3 . 1 1 29 29 MET CA C 29 53.443 53.443 59.523 -6.080 17762 1307 1 3 . 1 1 29 29 MET CB C 29 28.269 28.269 32.486 -4.217 17762 1308 1 3 . 1 1 29 29 MET H H 29 8.474 8.474 8.528 -0.054 17762 1309 1 3 . 1 1 30 30 MET N N 30 116.980 116.980 118.778 -1.798 17762 1310 1 3 . 1 1 30 30 MET HA H 30 4.308 4.308 4.058 0.250 17762 1311 1 3 . 1 1 30 30 MET CA C 30 54.614 54.614 59.745 -5.131 17762 1312 1 3 . 1 1 30 30 MET CB C 30 27.098 27.098 32.230 -5.132 17762 1313 1 3 . 1 1 30 30 MET H H 30 8.672 8.672 8.294 0.378 17762 1314 1 3 . 1 1 31 31 CYS N N 31 116.217 116.217 120.349 -4.132 17762 1315 1 3 . 1 1 31 31 CYS HA H 31 4.713 4.713 4.050 0.663 17762 1316 1 3 . 1 1 31 31 CYS CA C 31 55.786 55.786 62.858 -7.072 17762 1317 1 3 . 1 1 31 31 CYS CB C 31 39.392 39.392 27.579 11.813 17762 1318 1 3 . 1 1 31 31 CYS H H 31 6.592 6.592 8.681 -2.089 17762 1319 1 3 . 1 1 32 32 CYS N N 32 124.056 124.056 119.891 4.165 17762 1320 1 3 . 1 1 32 32 CYS HA H 32 4.410 4.410 4.051 0.359 17762 1321 1 3 . 1 1 32 32 CYS CA C 32 56.078 56.078 62.244 -6.166 17762 1322 1 3 . 1 1 32 32 CYS CB C 32 37.343 37.343 27.940 9.403 17762 1323 1 3 . 1 1 32 32 CYS H H 32 9.448 9.448 8.658 0.790 17762 1324 1 3 . 1 1 33 33 ARG N N 33 116.829 116.829 117.684 -0.855 17762 1325 1 3 . 1 1 33 33 ARG HA H 33 4.467 4.467 4.483 -0.016 17762 1326 1 3 . 1 1 33 33 ARG CA C 33 50.809 50.809 54.453 -3.644 17762 1327 1 3 . 1 1 33 33 ARG CB C 33 26.220 26.220 30.036 -3.816 17762 1328 1 3 . 1 1 33 33 ARG H H 33 8.099 8.099 8.181 -0.082 17762 1329 1 3 . 1 1 34 34 LYS N N 34 111.068 111.068 117.853 -6.785 17762 1330 1 3 . 1 1 34 34 LYS HA H 34 4.360 4.360 4.069 0.291 17762 1331 1 3 . 1 1 34 34 LYS CA C 34 54.321 54.321 57.500 -3.179 17762 1332 1 3 . 1 1 34 34 LYS CB C 34 25.634 25.634 30.315 -4.681 17762 1333 1 3 . 1 1 34 34 LYS H H 34 7.690 7.690 8.129 -0.439 17762 1334 1 3 . 1 1 35 35 MET N N 35 116.639 116.639 116.323 0.316 17762 1335 1 3 . 1 1 35 35 MET HA H 35 4.749 4.749 4.525 0.224 17762 1336 1 3 . 1 1 35 35 MET CA C 35 53.443 53.443 59.569 -6.126 17762 1337 1 3 . 1 1 35 35 MET CB C 35 30.903 30.903 33.301 -2.398 17762 1338 1 3 . 1 1 35 35 MET H H 35 8.195 8.195 8.609 -0.414 17762 1339 1 3 . 1 1 36 36 THR N N 36 107.641 107.641 113.075 -5.434 17762 1340 1 3 . 1 1 36 36 THR HA H 36 5.292 5.292 4.191 1.101 17762 1341 1 3 . 1 1 36 36 THR CA C 36 58.127 58.127 65.847 -7.720 17762 1342 1 3 . 1 1 36 36 THR CB C 36 66.030 66.030 68.154 -2.124 17762 1343 1 3 . 1 1 36 36 THR H H 36 7.562 7.562 8.249 -0.687 17762 1344 1 3 . 1 1 37 37 GLN N N 37 121.079 121.079 120.409 0.670 17762 1345 1 3 . 1 1 37 37 GLN HA H 37 4.554 4.554 4.204 0.350 17762 1346 1 3 . 1 1 37 37 GLN CA C 37 52.858 52.858 58.549 -5.691 17762 1347 1 3 . 1 1 37 37 GLN CB C 37 26.220 26.220 27.912 -1.692 17762 1348 1 3 . 1 1 37 37 GLN H H 37 7.334 7.334 8.548 -1.214 17762 1349 1 3 . 1 1 38 38 GLY N N 38 118.390 118.390 106.392 11.998 17762 1350 1 3 . 1 1 38 38 GLY CA C 38 43.783 43.783 45.306 -1.522 17762 1351 1 3 . 1 1 38 38 GLY H H 38 8.345 8.345 8.168 0.177 17762 1352 1 3 . 1 1 39 39 LYS N N 39 116.961 116.961 115.479 1.482 17762 1353 1 3 . 1 1 39 39 LYS HA H 39 3.555 3.555 4.387 -0.832 17762 1354 1 3 . 1 1 39 39 LYS CA C 39 52.272 52.272 55.081 -2.809 17762 1355 1 3 . 1 1 39 39 LYS CB C 39 31.196 31.196 33.879 -2.683 17762 1356 1 3 . 1 1 39 39 LYS H H 39 7.222 7.222 8.312 -1.090 17762 1357 1 3 . 1 1 40 40 CYS N N 40 119.480 119.480 123.216 -3.736 17762 1358 1 3 . 1 1 40 40 CYS HA H 40 4.787 4.787 4.505 0.282 17762 1359 1 3 . 1 1 40 40 CYS CA C 40 50.809 50.809 58.384 -7.575 17762 1360 1 3 . 1 1 40 40 CYS CB C 40 34.101 34.101 26.161 7.940 17762 1361 1 3 . 1 1 40 40 CYS H H 40 8.891 8.891 8.717 0.174 17762 1362 1 3 . 1 1 41 41 LYS N N 41 130.320 130.320 130.892 -0.572 17762 1363 1 3 . 1 1 41 41 LYS HA H 41 4.550 4.550 4.623 -0.073 17762 1364 1 3 . 1 1 41 41 LYS CA C 41 53.443 53.443 55.093 -1.650 17762 1365 1 3 . 1 1 41 41 LYS CB C 41 31.489 31.489 32.773 -1.284 17762 1366 1 3 . 1 1 41 41 LYS H H 41 7.902 7.902 8.834 -0.932 17762 1367 1 3 . 1 1 42 42 PRO HA H 42 4.600 4.600 4.531 0.069 17762 1368 1 3 . 1 1 42 42 PRO CA C 42 63.981 63.981 64.409 -0.428 17762 1369 1 3 . 1 1 42 42 PRO CB C 42 29.732 29.732 32.292 -2.560 17762 1370 1 3 . 1 1 43 43 VAL N N 43 111.738 111.738 112.183 -0.445 17762 1371 1 3 . 1 1 43 43 VAL HA H 43 5.302 5.302 5.022 0.280 17762 1372 1 3 . 1 1 43 43 VAL CA C 43 56.663 56.663 59.326 -2.663 17762 1373 1 3 . 1 1 43 43 VAL CB C 43 32.952 32.952 35.851 -2.899 17762 1374 1 3 . 1 1 43 43 VAL H H 43 6.967 6.967 7.378 -0.411 17762 1375 1 3 . 1 1 44 44 ASN N N 44 120.558 120.558 122.268 -1.710 17762 1376 1 3 . 1 1 44 44 ASN HA H 44 4.770 4.770 4.985 -0.215 17762 1377 1 3 . 1 1 44 44 ASN CA C 44 51.687 51.687 53.748 -2.061 17762 1378 1 3 . 1 1 44 44 ASN CB C 44 41.734 41.734 41.320 0.414 17762 1379 1 3 . 1 1 44 44 ASN H H 44 8.741 8.741 9.203 -0.462 17762 1380 1 3 . 1 1 45 45 THR N N 45 120.658 120.658 122.417 -1.759 17762 1381 1 3 . 1 1 45 45 THR HA H 45 5.142 5.142 4.471 0.671 17762 1382 1 3 . 1 1 45 45 THR CA C 45 59.005 59.005 63.360 -4.355 17762 1383 1 3 . 1 1 45 45 THR CB C 45 68.079 68.079 68.662 -0.583 17762 1384 1 3 . 1 1 45 45 THR H H 45 6.938 6.938 8.338 -1.400 17762 1385 1 3 . 1 1 46 46 PHE N N 46 125.168 125.168 126.642 -1.474 17762 1386 1 3 . 1 1 46 46 PHE HA H 46 4.916 4.916 4.750 0.166 17762 1387 1 3 . 1 1 46 46 PHE CA C 46 54.321 54.321 54.828 -0.506 17762 1388 1 3 . 1 1 46 46 PHE CB C 46 26.692 26.692 40.475 -13.783 17762 1389 1 3 . 1 1 46 46 PHE H H 46 9.318 9.318 8.778 0.540 17762 1390 1 3 . 1 1 47 47 VAL N N 47 121.430 121.430 120.488 0.942 17762 1391 1 3 . 1 1 47 47 VAL HA H 47 4.212 4.212 4.348 -0.136 17762 1392 1 3 . 1 1 47 47 VAL CA C 47 59.280 59.280 61.204 -1.924 17762 1393 1 3 . 1 1 47 47 VAL CB C 47 30.025 30.025 34.075 -4.050 17762 1394 1 3 . 1 1 47 47 VAL H H 47 9.333 9.333 8.623 0.710 17762 1395 1 3 . 1 1 48 48 HIS N N 48 125.243 125.243 125.595 -0.352 17762 1396 1 3 . 1 1 48 48 HIS HA H 48 5.314 5.314 4.817 0.497 17762 1397 1 3 . 1 1 48 48 HIS CA C 48 51.979 51.979 55.372 -3.393 17762 1398 1 3 . 1 1 48 48 HIS CB C 48 25.634 25.634 29.557 -3.923 17762 1399 1 3 . 1 1 48 48 HIS H H 48 8.772 8.772 8.872 -0.100 17762 1400 1 3 . 1 1 49 49 GLU N N 49 117.070 117.070 122.911 -5.841 17762 1401 1 3 . 1 1 49 49 GLU HA H 49 4.763 4.763 4.610 0.153 17762 1402 1 3 . 1 1 49 49 GLU CA C 49 51.101 51.101 55.583 -4.482 17762 1403 1 3 . 1 1 49 49 GLU CB C 49 28.269 28.269 31.554 -3.285 17762 1404 1 3 . 1 1 49 49 GLU H H 49 6.558 6.558 8.169 -1.611 17762 1405 1 3 . 1 1 50 50 SER N N 50 117.468 117.468 114.924 2.544 17762 1406 1 3 . 1 1 50 50 SER HA H 50 4.240 4.240 4.657 -0.417 17762 1407 1 3 . 1 1 50 50 SER CA C 50 55.199 55.199 57.515 -2.316 17762 1408 1 3 . 1 1 50 50 SER CB C 50 61.932 61.932 65.555 -3.623 17762 1409 1 3 . 1 1 50 50 SER H H 50 9.589 9.589 8.088 1.501 17762 1410 1 3 . 1 1 51 51 LEU N N 51 124.046 124.046 126.868 -2.822 17762 1411 1 3 . 1 1 51 51 LEU HA H 51 4.088 4.088 3.758 0.330 17762 1412 1 3 . 1 1 51 51 LEU CA C 51 55.785 55.785 59.072 -3.287 17762 1413 1 3 . 1 1 51 51 LEU CB C 51 38.514 38.514 41.963 -3.449 17762 1414 1 3 . 1 1 51 51 LEU H H 51 8.783 8.783 8.129 0.654 17762 1415 1 3 . 1 1 52 52 ALA N N 52 120.494 120.494 119.538 0.956 17762 1416 1 3 . 1 1 52 52 ALA HA H 52 3.959 3.959 3.895 0.064 17762 1417 1 3 . 1 1 52 52 ALA CA C 52 52.858 52.858 54.971 -2.113 17762 1418 1 3 . 1 1 52 52 ALA CB C 52 15.682 15.682 18.050 -2.368 17762 1419 1 3 . 1 1 52 52 ALA H H 52 8.462 8.462 8.177 0.285 17762 1420 1 3 . 1 1 53 53 ASP N N 53 120.265 120.265 118.299 1.966 17762 1421 1 3 . 1 1 53 53 ASP HA H 53 4.372 4.372 4.413 -0.041 17762 1422 1 3 . 1 1 53 53 ASP CA C 53 54.907 54.907 57.609 -2.702 17762 1423 1 3 . 1 1 53 53 ASP CB C 53 37.050 37.050 40.792 -3.742 17762 1424 1 3 . 1 1 53 53 ASP H H 53 7.835 7.835 8.304 -0.469 17762 1425 1 3 . 1 1 54 54 VAL N N 54 121.771 121.771 120.975 0.796 17762 1426 1 3 . 1 1 54 54 VAL HA H 54 3.703 3.703 3.752 -0.049 17762 1427 1 3 . 1 1 54 54 VAL CA C 54 64.274 64.274 66.375 -2.101 17762 1428 1 3 . 1 1 54 54 VAL CB C 54 29.147 29.147 31.591 -2.444 17762 1429 1 3 . 1 1 54 54 VAL H H 54 7.879 7.879 8.808 -0.929 17762 1430 1 3 . 1 1 55 55 LYS N N 55 119.973 119.973 119.368 0.605 17762 1431 1 3 . 1 1 55 55 LYS HA H 55 3.641 3.641 4.025 -0.384 17762 1432 1 3 . 1 1 55 55 LYS CA C 55 57.839 57.839 59.246 -1.407 17762 1433 1 3 . 1 1 55 55 LYS CB C 55 29.732 29.732 32.334 -2.602 17762 1434 1 3 . 1 1 55 55 LYS H H 55 9.000 9.000 8.339 0.661 17762 1435 1 3 . 1 1 56 56 ALA N N 56 120.213 120.213 122.106 -1.893 17762 1436 1 3 . 1 1 56 56 ALA HA H 56 4.015 4.015 4.180 -0.165 17762 1437 1 3 . 1 1 56 56 ALA CA C 56 51.394 51.394 54.616 -3.222 17762 1438 1 3 . 1 1 56 56 ALA CB C 56 14.803 14.803 18.627 -3.824 17762 1439 1 3 . 1 1 56 56 ALA H H 56 7.534 7.534 7.772 -0.238 17762 1440 1 3 . 1 1 57 57 VAL N N 57 121.006 121.006 119.850 1.156 17762 1441 1 3 . 1 1 57 57 VAL HA H 57 3.203 3.203 3.600 -0.397 17762 1442 1 3 . 1 1 57 57 VAL CA C 57 63.396 63.396 66.828 -3.432 17762 1443 1 3 . 1 1 57 57 VAL CB C 57 28.561 28.561 30.741 -2.180 17762 1444 1 3 . 1 1 57 57 VAL H H 57 7.575 7.575 8.648 -1.073 17762 1445 1 3 . 1 1 58 58 CYS N N 58 113.037 113.037 117.250 -4.213 17762 1446 1 3 . 1 1 58 58 CYS HA H 58 3.520 3.520 3.958 -0.438 17762 1447 1 3 . 1 1 58 58 CYS CA C 58 51.979 51.979 61.573 -9.594 17762 1448 1 3 . 1 1 58 58 CYS CB C 58 36.465 36.465 26.152 10.313 17762 1449 1 3 . 1 1 58 58 CYS H H 58 6.809 6.809 8.223 -1.414 17762 1450 1 3 . 1 1 59 59 SER N N 59 113.164 113.164 112.518 0.646 17762 1451 1 3 . 1 1 59 59 SER HA H 59 4.569 4.569 4.481 0.088 17762 1452 1 3 . 1 1 59 59 SER CA C 59 55.785 55.785 57.545 -1.760 17762 1453 1 3 . 1 1 59 59 SER CB C 59 61.054 61.054 63.330 -2.276 17762 1454 1 3 . 1 1 59 59 SER H H 59 7.480 7.480 8.007 -0.527 17762 1455 1 3 . 1 1 60 60 GLN N N 60 124.351 124.351 121.997 2.354 17762 1456 1 3 . 1 1 60 60 GLN HA H 60 4.599 4.599 4.370 0.229 17762 1457 1 3 . 1 1 60 60 GLN CA C 60 52.565 52.565 57.578 -5.013 17762 1458 1 3 . 1 1 60 60 GLN CB C 60 22.414 22.414 30.041 -7.627 17762 1459 1 3 . 1 1 60 60 GLN H H 60 7.702 7.702 8.188 -0.486 17762 1460 1 3 . 1 1 61 61 LYS N N 61 122.353 122.353 120.468 1.885 17762 1461 1 3 . 1 1 61 61 LYS HA H 61 4.261 4.261 4.527 -0.266 17762 1462 1 3 . 1 1 61 61 LYS CA C 61 54.614 54.614 54.628 -0.014 17762 1463 1 3 . 1 1 61 61 LYS CB C 61 31.489 31.489 33.391 -1.902 17762 1464 1 3 . 1 1 61 61 LYS H H 61 7.540 7.540 8.072 -0.532 17762 1465 1 3 . 1 1 62 62 LYS N N 62 129.878 129.878 127.324 2.554 17762 1466 1 3 . 1 1 62 62 LYS HA H 62 4.050 4.050 4.129 -0.079 17762 1467 1 3 . 1 1 62 62 LYS CA C 62 54.907 54.907 56.954 -2.047 17762 1468 1 3 . 1 1 62 62 LYS CB C 62 30.318 30.318 32.078 -1.760 17762 1469 1 3 . 1 1 62 62 LYS H H 62 8.408 8.408 8.780 -0.372 17762 1470 1 3 . 1 1 63 63 VAL N N 63 121.631 121.631 124.334 -2.703 17762 1471 1 3 . 1 1 63 63 VAL HA H 63 4.516 4.516 4.629 -0.113 17762 1472 1 3 . 1 1 63 63 VAL CA C 63 56.663 56.663 59.472 -2.809 17762 1473 1 3 . 1 1 63 63 VAL CB C 63 33.538 33.538 35.462 -1.924 17762 1474 1 3 . 1 1 63 63 VAL H H 63 8.317 8.317 8.707 -0.390 17762 1475 1 3 . 1 1 64 64 THR N N 64 116.885 116.885 116.793 0.092 17762 1476 1 3 . 1 1 64 64 THR HA H 64 4.296 4.296 4.481 -0.185 17762 1477 1 3 . 1 1 64 64 THR CA C 64 60.468 60.468 61.372 -0.904 17762 1478 1 3 . 1 1 64 64 THR CB C 64 67.201 67.201 69.250 -2.049 17762 1479 1 3 . 1 1 64 64 THR H H 64 7.965 7.965 8.077 -0.112 17762 1480 1 3 . 1 1 65 65 CYS N N 65 124.789 124.789 124.581 0.208 17762 1481 1 3 . 1 1 65 65 CYS HA H 65 4.407 4.407 4.267 0.140 17762 1482 1 3 . 1 1 65 65 CYS CA C 65 51.101 51.101 59.169 -8.068 17762 1483 1 3 . 1 1 65 65 CYS CB C 65 36.465 36.465 28.087 8.378 17762 1484 1 3 . 1 1 65 65 CYS H H 65 8.790 8.790 8.533 0.257 17762 1485 1 3 . 1 1 66 66 LYS N N 66 128.070 128.070 125.078 2.992 17762 1486 1 3 . 1 1 66 66 LYS HA H 66 3.993 3.993 4.099 -0.106 17762 1487 1 3 . 1 1 66 66 LYS CA C 66 56.663 56.663 57.683 -1.020 17762 1488 1 3 . 1 1 66 66 LYS CB C 66 28.854 28.854 30.717 -1.863 17762 1489 1 3 . 1 1 66 66 LYS H H 66 10.959 10.959 8.613 2.346 17762 1490 1 3 . 1 1 67 67 ASP N N 67 117.000 117.000 121.486 -4.486 17762 1491 1 3 . 1 1 67 67 ASP HA H 67 4.459 4.459 4.558 -0.099 17762 1492 1 3 . 1 1 67 67 ASP CA C 67 50.809 50.809 54.924 -4.115 17762 1493 1 3 . 1 1 67 67 ASP CB C 67 37.636 37.636 41.001 -3.365 17762 1494 1 3 . 1 1 67 67 ASP H H 67 8.021 8.021 8.544 -0.523 17762 1495 1 3 . 1 1 68 68 GLY N N 68 108.831 108.831 109.405 -0.574 17762 1496 1 3 . 1 1 68 68 GLY CA C 68 42.612 42.612 44.989 -2.377 17762 1497 1 3 . 1 1 68 68 GLY H H 68 8.029 8.029 8.361 -0.332 17762 1498 1 3 . 1 1 69 69 GLN N N 69 120.061 120.061 119.030 1.031 17762 1499 1 3 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.095 0.262 17762 1500 1 3 . 1 1 69 69 GLN CA C 69 54.264 54.264 57.531 -3.267 17762 1501 1 3 . 1 1 69 69 GLN CB C 69 27.683 27.683 29.450 -1.767 17762 1502 1 3 . 1 1 69 69 GLN H H 69 8.115 8.115 9.125 -1.010 17762 1503 1 3 . 1 1 70 70 THR N N 70 112.531 112.531 112.785 -0.254 17762 1504 1 3 . 1 1 70 70 THR HA H 70 4.475 4.475 4.469 0.006 17762 1505 1 3 . 1 1 70 70 THR CA C 70 58.712 58.712 60.026 -1.314 17762 1506 1 3 . 1 1 70 70 THR CB C 70 67.201 67.201 70.398 -3.197 17762 1507 1 3 . 1 1 70 70 THR H H 70 8.553 8.553 7.803 0.750 17762 1508 1 3 . 1 1 71 71 ASN N N 71 119.619 119.619 120.273 -0.654 17762 1509 1 3 . 1 1 71 71 ASN HA H 71 4.847 4.847 4.498 0.349 17762 1510 1 3 . 1 1 71 71 ASN CA C 71 50.516 50.516 52.654 -2.138 17762 1511 1 3 . 1 1 71 71 ASN CB C 71 35.587 35.587 38.828 -3.241 17762 1512 1 3 . 1 1 71 71 ASN H H 71 8.219 8.219 8.474 -0.255 17762 1513 1 3 . 1 1 72 72 CYS N N 72 118.100 118.100 124.429 -6.329 17762 1514 1 3 . 1 1 72 72 CYS HA H 72 5.424 5.424 4.914 0.510 17762 1515 1 3 . 1 1 72 72 CYS CA C 72 56.956 56.956 57.218 -0.262 17762 1516 1 3 . 1 1 72 72 CYS CB C 72 43.198 43.198 26.914 16.284 17762 1517 1 3 . 1 1 72 72 CYS H H 72 7.477 7.477 7.909 -0.432 17762 1518 1 3 . 1 1 73 73 TYR N N 73 119.843 119.843 123.108 -3.265 17762 1519 1 3 . 1 1 73 73 TYR HA H 73 5.121 5.121 4.952 0.169 17762 1520 1 3 . 1 1 73 73 TYR CA C 73 55.199 55.199 56.650 -1.451 17762 1521 1 3 . 1 1 73 73 TYR CB C 73 41.441 41.441 38.802 2.639 17762 1522 1 3 . 1 1 73 73 TYR H H 73 8.983 8.983 9.537 -0.554 17762 1523 1 3 . 1 1 74 74 GLN N N 74 123.174 123.174 126.119 -2.945 17762 1524 1 3 . 1 1 74 74 GLN HA H 74 5.408 5.408 4.714 0.694 17762 1525 1 3 . 1 1 74 74 GLN CA C 74 49.930 49.930 55.125 -5.195 17762 1526 1 3 . 1 1 74 74 GLN H H 74 9.477 9.477 9.209 0.268 17762 1527 1 3 . 1 1 75 75 SER N N 75 122.742 122.742 122.997 -0.255 17762 1528 1 3 . 1 1 75 75 SER HA H 75 4.679 4.679 4.432 0.247 17762 1529 1 3 . 1 1 75 75 SER CA C 75 55.764 55.764 59.199 -3.435 17762 1530 1 3 . 1 1 75 75 SER CB C 75 62.424 62.424 64.049 -1.625 17762 1531 1 3 . 1 1 75 75 SER H H 75 9.286 9.286 9.006 0.280 17762 1532 1 3 . 1 1 76 76 LYS N N 76 127.293 127.293 120.989 6.304 17762 1533 1 3 . 1 1 76 76 LYS HA H 76 4.202 4.202 3.926 0.276 17762 1534 1 3 . 1 1 76 76 LYS CA C 76 56.370 56.370 59.650 -3.280 17762 1535 1 3 . 1 1 76 76 LYS CB C 76 30.318 30.318 32.306 -1.988 17762 1536 1 3 . 1 1 76 76 LYS H H 76 8.938 8.938 8.964 -0.026 17762 1537 1 3 . 1 1 77 77 SER N N 77 114.297 114.297 110.464 3.833 17762 1538 1 3 . 1 1 77 77 SER HA H 77 4.888 4.888 4.777 0.111 17762 1539 1 3 . 1 1 77 77 SER CA C 77 53.736 53.736 56.121 -2.385 17762 1540 1 3 . 1 1 77 77 SER CB C 77 62.810 62.810 66.460 -3.650 17762 1541 1 3 . 1 1 77 77 SER H H 77 8.592 8.592 7.693 0.899 17762 1542 1 3 . 1 1 78 78 THR N N 78 113.859 113.859 113.566 0.293 17762 1543 1 3 . 1 1 78 78 THR HA H 78 3.254 3.254 4.126 -0.872 17762 1544 1 3 . 1 1 78 78 THR CA C 78 59.883 59.883 63.275 -3.392 17762 1545 1 3 . 1 1 78 78 THR CB C 78 66.908 66.908 69.067 -2.159 17762 1546 1 3 . 1 1 78 78 THR H H 78 8.134 8.134 8.328 -0.194 17762 1547 1 3 . 1 1 79 79 MET N N 79 121.299 121.299 122.544 -1.245 17762 1548 1 3 . 1 1 79 79 MET HA H 79 4.643 4.643 4.734 -0.091 17762 1549 1 3 . 1 1 79 79 MET CA C 79 52.858 52.858 54.405 -1.547 17762 1550 1 3 . 1 1 79 79 MET CB C 79 34.416 34.416 37.682 -3.266 17762 1551 1 3 . 1 1 79 79 MET H H 79 8.508 8.508 8.906 -0.398 17762 1552 1 3 . 1 1 80 80 ARG N N 80 122.767 122.767 122.812 -0.045 17762 1553 1 3 . 1 1 80 80 ARG HA H 80 4.376 4.376 4.686 -0.310 17762 1554 1 3 . 1 1 80 80 ARG CA C 80 54.907 54.907 56.575 -1.668 17762 1555 1 3 . 1 1 80 80 ARG CB C 80 27.391 27.391 30.465 -3.074 17762 1556 1 3 . 1 1 80 80 ARG H H 80 9.508 9.508 8.949 0.559 17762 1557 1 3 . 1 1 81 81 ILE N N 81 120.594 120.594 121.975 -1.381 17762 1558 1 3 . 1 1 81 81 ILE HA H 81 5.284 5.284 5.176 0.108 17762 1559 1 3 . 1 1 81 81 ILE CA C 81 56.663 56.663 58.426 -1.763 17762 1560 1 3 . 1 1 81 81 ILE CB C 81 39.978 39.978 42.376 -2.398 17762 1561 1 3 . 1 1 81 81 ILE H H 81 8.645 8.645 9.144 -0.499 17762 1562 1 3 . 1 1 82 82 THR N N 82 119.200 119.200 117.907 1.293 17762 1563 1 3 . 1 1 82 82 THR HA H 82 5.020 5.020 4.840 0.180 17762 1564 1 3 . 1 1 82 82 THR CA C 82 60.176 60.176 60.241 -0.065 17762 1565 1 3 . 1 1 82 82 THR CB C 82 68.372 68.372 67.900 0.472 17762 1566 1 3 . 1 1 82 82 THR H H 82 9.256 9.256 8.956 0.300 17762 1567 1 3 . 1 1 83 83 ASP N N 83 127.841 127.841 126.743 1.098 17762 1568 1 3 . 1 1 83 83 ASP HA H 83 5.029 5.029 4.638 0.391 17762 1569 1 3 . 1 1 83 83 ASP CA C 83 51.101 51.101 54.561 -3.460 17762 1570 1 3 . 1 1 83 83 ASP CB C 83 40.563 40.563 41.349 -0.786 17762 1571 1 3 . 1 1 83 83 ASP H H 83 9.241 9.241 8.756 0.485 17762 1572 1 3 . 1 1 84 84 CYS N N 84 122.123 122.123 127.110 -4.987 17762 1573 1 3 . 1 1 84 84 CYS HA H 84 5.940 5.940 4.845 1.095 17762 1574 1 3 . 1 1 84 84 CYS CA C 84 49.345 49.345 57.661 -8.316 17762 1575 1 3 . 1 1 84 84 CYS CB C 84 36.465 36.465 27.825 8.640 17762 1576 1 3 . 1 1 84 84 CYS H H 84 8.808 8.808 8.607 0.201 17762 1577 1 3 . 1 1 85 85 ARG N N 85 122.200 122.200 126.747 -4.547 17762 1578 1 3 . 1 1 85 85 ARG HA H 85 5.412 5.412 5.393 0.019 17762 1579 1 3 . 1 1 85 85 ARG CA C 85 52.272 52.272 54.116 -1.844 17762 1580 1 3 . 1 1 85 85 ARG CB C 85 30.903 30.903 35.601 -4.698 17762 1581 1 3 . 1 1 85 85 ARG H H 85 8.204 8.204 9.425 -1.221 17762 1582 1 3 . 1 1 86 86 GLU N N 86 128.674 128.674 122.549 6.125 17762 1583 1 3 . 1 1 86 86 GLU HA H 86 4.288 4.288 4.725 -0.437 17762 1584 1 3 . 1 1 86 86 GLU CA C 86 55.199 55.199 55.573 -0.374 17762 1585 1 3 . 1 1 86 86 GLU CB C 86 29.732 29.732 30.724 -0.992 17762 1586 1 3 . 1 1 86 86 GLU H H 86 8.762 8.762 8.524 0.238 17762 1587 1 3 . 1 1 87 87 THR N N 87 115.660 115.660 113.880 1.780 17762 1588 1 3 . 1 1 87 87 THR HA H 87 4.507 4.507 4.383 0.124 17762 1589 1 3 . 1 1 87 87 THR CA C 87 58.127 58.127 60.492 -2.365 17762 1590 1 3 . 1 1 87 87 THR CB C 87 68.665 68.665 69.383 -0.718 17762 1591 1 3 . 1 1 87 87 THR H H 87 8.118 8.118 8.996 -0.878 17762 1592 1 3 . 1 1 88 88 GLY N N 88 107.768 107.768 107.493 0.275 17762 1593 1 3 . 1 1 88 88 GLY CA C 88 43.490 43.490 45.292 -1.802 17762 1594 1 3 . 1 1 88 88 GLY H H 88 8.774 8.774 8.652 0.122 17762 1595 1 3 . 1 1 89 89 SER N N 89 112.931 112.931 115.112 -2.181 17762 1596 1 3 . 1 1 89 89 SER HA H 89 4.503 4.503 4.443 0.060 17762 1597 1 3 . 1 1 89 89 SER CA C 89 55.199 55.199 57.462 -2.263 17762 1598 1 3 . 1 1 89 89 SER CB C 89 61.054 61.054 64.409 -3.355 17762 1599 1 3 . 1 1 89 89 SER H H 89 7.597 7.597 7.831 -0.234 17762 1600 1 3 . 1 1 90 90 SER N N 90 118.245 118.245 119.344 -1.099 17762 1601 1 3 . 1 1 90 90 SER HA H 90 3.943 3.943 4.169 -0.226 17762 1602 1 3 . 1 1 90 90 SER CA C 90 56.370 56.370 59.533 -3.163 17762 1603 1 3 . 1 1 90 90 SER CB C 90 60.468 60.468 62.882 -2.414 17762 1604 1 3 . 1 1 90 90 SER H H 90 6.989 6.989 7.675 -0.686 17762 1605 1 3 . 1 1 91 91 LYS N N 91 129.777 129.777 128.878 0.899 17762 1606 1 3 . 1 1 91 91 LYS HA H 91 4.431 4.431 4.584 -0.153 17762 1607 1 3 . 1 1 91 91 LYS CA C 91 53.443 53.443 54.175 -0.732 17762 1608 1 3 . 1 1 91 91 LYS CB C 91 31.489 31.489 33.031 -1.542 17762 1609 1 3 . 1 1 91 91 LYS H H 91 7.527 7.527 8.439 -0.912 17762 1610 1 3 . 1 1 92 92 TYR N N 92 131.912 131.912 124.124 7.788 17762 1611 1 3 . 1 1 92 92 TYR HA H 92 3.718 3.718 4.265 -0.547 17762 1612 1 3 . 1 1 92 92 TYR CA C 92 56.078 56.078 58.136 -2.058 17762 1613 1 3 . 1 1 92 92 TYR CB C 92 35.880 35.880 38.406 -2.526 17762 1614 1 3 . 1 1 92 92 TYR H H 92 9.290 9.290 8.437 0.853 17762 1615 1 3 . 1 1 93 93 PRO HA H 93 3.028 3.028 3.804 -0.776 17762 1616 1 3 . 1 1 93 93 PRO CA C 93 61.347 61.347 62.936 -1.589 17762 1617 1 3 . 1 1 93 93 PRO CB C 93 31.196 31.196 32.243 -1.047 17762 1618 1 3 . 1 1 94 94 ASN N N 94 130.934 130.934 120.469 10.465 17762 1619 1 3 . 1 1 94 94 ASN HA H 94 4.943 4.943 4.602 0.341 17762 1620 1 3 . 1 1 94 94 ASN CA C 94 49.630 49.630 53.518 -3.888 17762 1621 1 3 . 1 1 94 94 ASN CB C 94 35.001 35.001 37.718 -2.716 17762 1622 1 3 . 1 1 94 94 ASN H H 94 8.823 8.823 8.370 0.453 17762 1623 1 3 . 1 1 95 95 CYS N N 95 122.402 122.402 122.116 0.286 17762 1624 1 3 . 1 1 95 95 CYS HA H 95 4.840 4.840 4.298 0.542 17762 1625 1 3 . 1 1 95 95 CYS CA C 95 50.516 50.516 57.433 -6.917 17762 1626 1 3 . 1 1 95 95 CYS CB C 95 35.880 35.880 25.128 10.752 17762 1627 1 3 . 1 1 95 95 CYS H H 95 7.687 7.687 8.363 -0.676 17762 1628 1 3 . 1 1 96 96 ALA N N 96 129.346 129.346 132.412 -3.066 17762 1629 1 3 . 1 1 96 96 ALA HA H 96 4.746 4.746 4.302 0.444 17762 1630 1 3 . 1 1 96 96 ALA CA C 96 49.052 49.052 51.271 -2.219 17762 1631 1 3 . 1 1 96 96 ALA CB C 96 19.194 19.194 17.835 1.359 17762 1632 1 3 . 1 1 96 96 ALA H H 96 8.634 8.634 8.199 0.435 17762 1633 1 3 . 1 1 97 97 TYR N N 97 118.353 118.353 122.896 -4.543 17762 1634 1 3 . 1 1 97 97 TYR HA H 97 4.904 4.904 5.248 -0.344 17762 1635 1 3 . 1 1 97 97 TYR CA C 97 55.785 55.785 58.412 -2.627 17762 1636 1 3 . 1 1 97 97 TYR CB C 97 41.441 41.441 40.192 1.249 17762 1637 1 3 . 1 1 97 97 TYR H H 97 9.368 9.368 8.256 1.112 17762 1638 1 3 . 1 1 98 98 LYS N N 98 125.559 125.559 119.273 6.286 17762 1639 1 3 . 1 1 98 98 LYS HA H 98 4.743 4.743 4.732 0.011 17762 1640 1 3 . 1 1 98 98 LYS CA C 98 52.565 52.565 54.507 -1.942 17762 1641 1 3 . 1 1 98 98 LYS CB C 98 31.489 31.489 37.112 -5.623 17762 1642 1 3 . 1 1 98 98 LYS H H 98 9.427 9.427 9.269 0.158 17762 1643 1 3 . 1 1 99 99 THR N N 99 126.667 126.667 117.062 9.605 17762 1644 1 3 . 1 1 99 99 THR HA H 99 5.243 5.243 5.146 0.097 17762 1645 1 3 . 1 1 99 99 THR CA C 99 60.176 60.176 60.678 -0.502 17762 1646 1 3 . 1 1 99 99 THR CB C 99 68.665 68.665 71.510 -2.845 17762 1647 1 3 . 1 1 99 99 THR H H 99 9.055 9.055 8.589 0.466 17762 1648 1 3 . 1 1 100 100 THR N N 100 124.517 124.517 122.239 2.278 17762 1649 1 3 . 1 1 100 100 THR HA H 100 4.637 4.637 4.596 0.041 17762 1650 1 3 . 1 1 100 100 THR CA C 100 59.883 59.883 61.839 -1.956 17762 1651 1 3 . 1 1 100 100 THR CB C 100 68.372 68.372 69.100 -0.728 17762 1652 1 3 . 1 1 100 100 THR H H 100 8.855 8.855 8.764 0.091 17762 1653 1 3 . 1 1 101 101 GLN N N 101 128.586 128.586 128.000 0.586 17762 1654 1 3 . 1 1 101 101 GLN HA H 101 5.180 5.180 4.381 0.799 17762 1655 1 3 . 1 1 101 101 GLN CA C 101 53.150 53.150 56.709 -3.559 17762 1656 1 3 . 1 1 101 101 GLN CB C 101 27.098 27.098 28.221 -1.123 17762 1657 1 3 . 1 1 101 101 GLN H H 101 8.823 8.823 8.829 -0.006 17762 1658 1 3 . 1 1 102 102 VAL N N 102 121.495 121.495 121.252 0.243 17762 1659 1 3 . 1 1 102 102 VAL HA H 102 4.639 4.639 4.705 -0.066 17762 1660 1 3 . 1 1 102 102 VAL CA C 102 57.834 57.834 59.639 -1.805 17762 1661 1 3 . 1 1 102 102 VAL CB C 102 34.123 34.123 35.928 -1.805 17762 1662 1 3 . 1 1 102 102 VAL H H 102 8.643 8.643 8.986 -0.343 17762 1663 1 3 . 1 1 103 103 GLU N N 103 122.031 122.031 118.995 3.036 17762 1664 1 3 . 1 1 103 103 GLU HA H 103 5.400 5.400 5.333 0.067 17762 1665 1 3 . 1 1 103 103 GLU CA C 103 52.565 52.565 54.289 -1.724 17762 1666 1 3 . 1 1 103 103 GLU CB C 103 28.269 28.269 31.248 -2.979 17762 1667 1 3 . 1 1 103 103 GLU H H 103 8.068 8.068 8.367 -0.299 17762 1668 1 3 . 1 1 104 104 LYS N N 104 122.283 122.283 122.532 -0.249 17762 1669 1 3 . 1 1 104 104 LYS HA H 104 4.795 4.795 4.633 0.162 17762 1670 1 3 . 1 1 104 104 LYS CA C 104 51.979 51.979 54.109 -2.130 17762 1671 1 3 . 1 1 104 104 LYS CB C 104 37.050 37.050 36.750 0.300 17762 1672 1 3 . 1 1 104 104 LYS H H 104 8.336 8.336 8.856 -0.520 17762 1673 1 3 . 1 1 105 105 HIS N N 105 119.366 119.366 119.407 -0.041 17762 1674 1 3 . 1 1 105 105 HIS HA H 105 4.407 4.407 4.762 -0.355 17762 1675 1 3 . 1 1 105 105 HIS CA C 105 54.321 54.321 57.301 -2.980 17762 1676 1 3 . 1 1 105 105 HIS CB C 105 25.341 25.341 29.461 -4.120 17762 1677 1 3 . 1 1 105 105 HIS H H 105 9.202 9.202 8.541 0.661 17762 1678 1 3 . 1 1 106 106 ILE N N 106 114.175 114.175 118.562 -4.387 17762 1679 1 3 . 1 1 106 106 ILE HA H 106 4.997 4.997 4.577 0.420 17762 1680 1 3 . 1 1 106 106 ILE CA C 106 57.541 57.541 60.994 -3.453 17762 1681 1 3 . 1 1 106 106 ILE CB C 106 38.807 38.807 39.281 -0.474 17762 1682 1 3 . 1 1 106 106 ILE H H 106 8.447 8.447 8.854 -0.407 17762 1683 1 3 . 1 1 107 107 ILE N N 107 122.400 122.400 125.947 -3.547 17762 1684 1 3 . 1 1 107 107 ILE HA H 107 5.296 5.296 4.925 0.371 17762 1685 1 3 . 1 1 107 107 ILE CA C 107 57.541 57.541 58.536 -0.995 17762 1686 1 3 . 1 1 107 107 ILE CB C 107 36.758 36.758 37.022 -0.264 17762 1687 1 3 . 1 1 107 107 ILE H H 107 8.314 8.314 8.977 -0.663 17762 1688 1 3 . 1 1 108 108 VAL N N 108 118.187 118.187 123.979 -5.792 17762 1689 1 3 . 1 1 108 108 VAL HA H 108 4.888 4.888 4.619 0.270 17762 1690 1 3 . 1 1 108 108 VAL CA C 108 55.199 55.199 58.918 -3.719 17762 1691 1 3 . 1 1 108 108 VAL CB C 108 32.074 32.074 34.796 -2.722 17762 1692 1 3 . 1 1 108 108 VAL H H 108 8.907 8.907 9.064 -0.157 17762 1693 1 3 . 1 1 109 109 ALA N N 109 122.660 122.660 122.462 0.198 17762 1694 1 3 . 1 1 109 109 ALA HA H 109 5.296 5.296 5.260 0.036 17762 1695 1 3 . 1 1 109 109 ALA CA C 109 48.174 48.174 49.946 -1.772 17762 1696 1 3 . 1 1 109 109 ALA CB C 109 19.194 19.194 19.812 -0.618 17762 1697 1 3 . 1 1 109 109 ALA H H 109 8.706 8.706 8.404 0.302 17762 1698 1 3 . 1 1 110 110 CYS N N 110 120.404 120.404 123.850 -3.446 17762 1699 1 3 . 1 1 110 110 CYS HA H 110 5.680 5.680 5.372 0.308 17762 1700 1 3 . 1 1 110 110 CYS CA C 110 53.443 53.443 57.168 -3.725 17762 1701 1 3 . 1 1 110 110 CYS CB C 110 47.003 47.003 28.913 18.090 17762 1702 1 3 . 1 1 110 110 CYS H H 110 8.797 8.797 9.350 -0.553 17762 1703 1 3 . 1 1 111 111 GLY N N 111 111.123 111.123 112.270 -1.147 17762 1704 1 3 . 1 1 111 111 GLY CA C 111 42.905 42.905 45.645 -2.740 17762 1705 1 3 . 1 1 111 111 GLY H H 111 9.107 9.107 8.947 0.160 17762 1706 1 3 . 1 1 112 112 GLY N N 112 107.554 107.554 108.220 -0.666 17762 1707 1 3 . 1 1 112 112 GLY CA C 112 40.856 40.856 45.030 -4.174 17762 1708 1 3 . 1 1 112 112 GLY H H 112 8.206 8.206 8.282 -0.076 17762 1709 1 3 . 1 1 113 113 LYS N N 113 118.578 118.578 119.277 -0.699 17762 1710 1 3 . 1 1 113 113 LYS HA H 113 4.384 4.384 4.104 0.280 17762 1711 1 3 . 1 1 113 113 LYS CA C 113 51.100 51.100 55.905 -4.805 17762 1712 1 3 . 1 1 113 113 LYS CB C 113 32.367 32.367 31.899 0.468 17762 1713 1 3 . 1 1 113 113 LYS H H 113 7.774 7.774 8.106 -0.332 17762 1714 1 3 . 1 1 114 114 PRO HA H 114 4.615 4.615 4.485 0.130 17762 1715 1 3 . 1 1 114 114 PRO C C 114 3.597 3.597 176.198 -172.601 17762 1716 1 3 . 1 1 114 114 PRO CA C 114 60.448 60.448 61.618 -1.170 17762 1717 1 3 . 1 1 114 114 PRO CB C 114 31.781 31.781 32.316 -0.535 17762 1718 1 3 . 1 1 115 115 SER N N 115 116.201 116.201 116.594 -0.393 17762 1719 1 3 . 1 1 115 115 SER HA H 115 3.954 3.954 4.280 -0.326 17762 1720 1 3 . 1 1 115 115 SER CA C 115 56.078 56.078 58.688 -2.610 17762 1721 1 3 . 1 1 115 115 SER CB C 115 60.761 60.761 61.860 -1.099 17762 1722 1 3 . 1 1 115 115 SER H H 115 8.201 8.201 8.367 -0.166 17762 1723 1 3 . 1 1 116 116 VAL N N 116 120.540 120.540 117.984 2.556 17762 1724 1 3 . 1 1 116 116 VAL HA H 116 4.858 4.858 4.752 0.106 17762 1725 1 3 . 1 1 116 116 VAL CA C 116 56.078 56.078 57.833 -1.754 17762 1726 1 3 . 1 1 116 116 VAL CB C 116 31.196 31.196 34.597 -3.401 17762 1727 1 3 . 1 1 116 116 VAL H H 116 8.511 8.511 8.113 0.398 17762 1728 1 3 . 1 1 117 117 PRO HA H 117 4.508 4.508 4.698 -0.190 17762 1729 1 3 . 1 1 117 117 PRO CA C 117 60.468 60.468 62.742 -2.274 17762 1730 1 3 . 1 1 117 117 PRO CB C 117 27.391 27.391 32.027 -4.636 17762 1731 1 3 . 1 1 118 118 VAL N N 118 111.972 111.972 114.857 -2.885 17762 1732 1 3 . 1 1 118 118 VAL HA H 118 4.532 4.532 4.286 0.246 17762 1733 1 3 . 1 1 118 118 VAL CA C 118 58.419 58.419 61.505 -3.086 17762 1734 1 3 . 1 1 118 118 VAL CB C 118 31.781 31.781 33.236 -1.455 17762 1735 1 3 . 1 1 118 118 VAL H H 118 8.927 8.927 8.639 0.288 17762 1736 1 3 . 1 1 119 119 HIS N N 119 121.264 121.264 116.847 4.417 17762 1737 1 3 . 1 1 119 119 HIS HA H 119 5.324 5.324 4.302 1.022 17762 1738 1 3 . 1 1 119 119 HIS CA C 119 53.443 53.443 54.467 -1.024 17762 1739 1 3 . 1 1 119 119 HIS CB C 119 30.025 30.025 34.008 -3.983 17762 1740 1 3 . 1 1 119 119 HIS H H 119 7.616 7.616 6.987 0.629 17762 1741 1 3 . 1 1 120 120 PHE HA H 120 4.283 4.283 4.643 -0.360 17762 1742 1 3 . 1 1 120 120 PHE CA C 120 55.785 55.785 56.796 -1.011 17762 1743 1 3 . 1 1 120 120 PHE CB C 120 36.172 36.172 41.401 -5.229 17762 1744 1 3 . 1 1 121 121 ASP N N 121 131.399 131.399 127.076 4.323 17762 1745 1 3 . 1 1 121 121 ASP HA H 121 4.668 4.668 4.453 0.215 17762 1746 1 3 . 1 1 121 121 ASP CA C 121 54.614 54.614 53.593 1.021 17762 1747 1 3 . 1 1 121 121 ASP CB C 121 44.076 44.076 43.080 0.996 17762 1748 1 3 . 1 1 121 121 ASP H H 121 8.644 8.644 8.323 0.321 17762 1749 1 3 . 1 1 122 122 ALA N N 122 116.961 116.961 118.441 -1.480 17762 1750 1 3 . 1 1 122 122 ALA HA H 122 4.491 4.491 4.503 -0.012 17762 1751 1 3 . 1 1 122 122 ALA CA C 122 49.345 49.345 51.206 -1.861 17762 1752 1 3 . 1 1 122 122 ALA CB C 122 19.194 19.194 21.212 -2.018 17762 1753 1 3 . 1 1 122 122 ALA H H 122 7.419 7.419 6.937 0.482 17762 1754 1 3 . 1 1 123 123 SER N N 123 112.579 112.579 115.455 -2.876 17762 1755 1 3 . 1 1 123 123 SER HA H 123 5.325 5.325 5.654 -0.329 17762 1756 1 3 . 1 1 123 123 SER CA C 123 54.321 54.321 57.663 -3.342 17762 1757 1 3 . 1 1 123 123 SER CB C 123 63.981 63.981 66.065 -2.084 17762 1758 1 3 . 1 1 123 123 SER H H 123 8.092 8.092 8.642 -0.550 17762 1759 1 4 . 1 1 2 2 GLU N N 2 126.119 126.119 123.330 2.789 17762 1760 1 4 . 1 1 2 2 GLU HA H 2 4.370 4.370 4.395 -0.025 17762 1761 1 4 . 1 1 2 2 GLU CA C 2 53.440 53.440 56.555 -3.115 17762 1762 1 4 . 1 1 2 2 GLU CB C 2 29.147 29.147 30.876 -1.729 17762 1763 1 4 . 1 1 2 2 GLU H H 2 8.448 8.448 8.703 -0.255 17762 1764 1 4 . 1 1 3 3 SER N N 3 124.530 124.530 116.088 8.442 17762 1765 1 4 . 1 1 3 3 SER HA H 3 4.500 4.500 4.491 0.009 17762 1766 1 4 . 1 1 3 3 SER CA C 3 54.907 54.907 58.004 -3.097 17762 1767 1 4 . 1 1 3 3 SER CB C 3 62.511 62.511 63.391 -0.880 17762 1768 1 4 . 1 1 3 3 SER H H 3 8.755 8.755 8.341 0.414 17762 1769 1 4 . 1 1 4 4 ALA N N 4 125.341 125.341 124.873 0.468 17762 1770 1 4 . 1 1 4 4 ALA HA H 4 4.216 4.216 3.918 0.298 17762 1771 1 4 . 1 1 4 4 ALA CA C 4 52.858 52.858 54.409 -1.551 17762 1772 1 4 . 1 1 4 4 ALA CB C 4 15.389 15.389 17.202 -1.813 17762 1773 1 4 . 1 1 4 4 ALA H H 4 8.961 8.961 8.232 0.729 17762 1774 1 4 . 1 1 5 5 ALA N N 5 121.896 121.896 122.953 -1.057 17762 1775 1 4 . 1 1 5 5 ALA HA H 5 4.375 4.375 4.230 0.145 17762 1776 1 4 . 1 1 5 5 ALA CA C 5 52.565 52.565 55.304 -2.740 17762 1777 1 4 . 1 1 5 5 ALA CB C 5 15.974 15.974 18.605 -2.631 17762 1778 1 4 . 1 1 5 5 ALA H H 5 8.659 8.659 8.358 0.301 17762 1779 1 4 . 1 1 6 6 ALA N N 6 123.734 123.734 120.537 3.197 17762 1780 1 4 . 1 1 6 6 ALA HA H 6 4.216 4.216 4.353 -0.137 17762 1781 1 4 . 1 1 6 6 ALA CA C 6 52.272 52.272 55.027 -2.755 17762 1782 1 4 . 1 1 6 6 ALA CB C 6 15.389 15.389 18.079 -2.690 17762 1783 1 4 . 1 1 6 6 ALA H H 6 8.009 8.009 8.644 -0.635 17762 1784 1 4 . 1 1 7 7 LYS N N 7 123.118 123.118 119.847 3.271 17762 1785 1 4 . 1 1 7 7 LYS HA H 7 4.025 4.025 4.144 -0.119 17762 1786 1 4 . 1 1 7 7 LYS CA C 7 57.834 57.834 58.577 -0.743 17762 1787 1 4 . 1 1 7 7 LYS CB C 7 29.732 29.732 32.514 -2.782 17762 1788 1 4 . 1 1 7 7 LYS H H 7 8.737 8.737 7.567 1.170 17762 1789 1 4 . 1 1 8 8 PHE N N 8 120.604 120.604 121.986 -1.382 17762 1790 1 4 . 1 1 8 8 PHE HA H 8 4.388 4.388 4.203 0.185 17762 1791 1 4 . 1 1 8 8 PHE CA C 8 59.298 59.298 61.318 -2.019 17762 1792 1 4 . 1 1 8 8 PHE CB C 8 36.465 36.465 38.646 -2.181 17762 1793 1 4 . 1 1 8 8 PHE H H 8 8.058 8.058 8.845 -0.787 17762 1794 1 4 . 1 1 9 9 GLU N N 9 119.978 119.978 119.453 0.525 17762 1795 1 4 . 1 1 9 9 GLU HA H 9 3.742 3.742 3.329 0.413 17762 1796 1 4 . 1 1 9 9 GLU CA C 9 58.127 58.127 59.699 -1.572 17762 1797 1 4 . 1 1 9 9 GLU CB C 9 35.001 35.001 29.458 5.543 17762 1798 1 4 . 1 1 9 9 GLU H H 9 7.922 7.922 8.680 -0.758 17762 1799 1 4 . 1 1 10 10 ARG N N 10 120.914 120.914 118.228 2.686 17762 1800 1 4 . 1 1 10 10 ARG HA H 10 4.197 4.197 3.950 0.247 17762 1801 1 4 . 1 1 10 10 ARG CA C 10 56.663 56.663 58.907 -2.244 17762 1802 1 4 . 1 1 10 10 ARG CB C 10 27.683 27.683 29.613 -1.931 17762 1803 1 4 . 1 1 10 10 ARG H H 10 8.323 8.323 8.230 0.093 17762 1804 1 4 . 1 1 11 11 GLN N N 11 112.201 112.201 117.227 -5.026 17762 1805 1 4 . 1 1 11 11 GLN HA H 11 3.787 3.787 4.001 -0.214 17762 1806 1 4 . 1 1 11 11 GLN CA C 11 55.492 55.492 59.184 -3.692 17762 1807 1 4 . 1 1 11 11 GLN CB C 11 26.805 26.805 29.022 -2.217 17762 1808 1 4 . 1 1 11 11 GLN H H 11 8.425 8.425 8.381 0.044 17762 1809 1 4 . 1 1 12 12 HIS N N 12 106.607 106.607 115.511 -8.904 17762 1810 1 4 . 1 1 12 12 HIS HA H 12 4.943 4.943 4.744 0.199 17762 1811 1 4 . 1 1 12 12 HIS CA C 12 52.272 52.272 55.579 -3.307 17762 1812 1 4 . 1 1 12 12 HIS CB C 12 27.680 27.680 32.458 -4.778 17762 1813 1 4 . 1 1 12 12 HIS H H 12 7.708 7.708 7.938 -0.230 17762 1814 1 4 . 1 1 13 13 MET N N 13 117.217 117.217 120.365 -3.148 17762 1815 1 4 . 1 1 13 13 MET HA H 13 5.460 5.460 4.338 1.122 17762 1816 1 4 . 1 1 13 13 MET CA C 13 50.516 50.516 56.337 -5.822 17762 1817 1 4 . 1 1 13 13 MET CB C 13 27.098 27.098 32.445 -5.347 17762 1818 1 4 . 1 1 13 13 MET H H 13 8.037 8.037 7.855 0.182 17762 1819 1 4 . 1 1 14 14 ASP N N 14 123.910 123.910 121.991 1.919 17762 1820 1 4 . 1 1 14 14 ASP HA H 14 5.024 5.024 4.661 0.363 17762 1821 1 4 . 1 1 14 14 ASP CA C 14 51.101 51.101 53.245 -2.144 17762 1822 1 4 . 1 1 14 14 ASP CB C 14 37.636 37.636 44.059 -6.423 17762 1823 1 4 . 1 1 14 14 ASP H H 14 8.805 8.805 7.959 0.846 17762 1824 1 4 . 1 1 15 15 SER N N 15 121.832 121.832 114.572 7.260 17762 1825 1 4 . 1 1 15 15 SER HA H 15 4.202 4.202 4.756 -0.554 17762 1826 1 4 . 1 1 15 15 SER CA C 15 58.127 58.127 57.062 1.065 17762 1827 1 4 . 1 1 15 15 SER CB C 15 61.347 61.347 63.873 -2.526 17762 1828 1 4 . 1 1 15 15 SER H H 15 8.943 8.943 8.263 0.680 17762 1829 1 4 . 1 1 16 16 GLY N N 16 111.703 111.703 112.319 -0.616 17762 1830 1 4 . 1 1 16 16 GLY CA C 16 42.905 42.905 45.674 -2.769 17762 1831 1 4 . 1 1 16 16 GLY H H 16 8.586 8.586 8.814 -0.228 17762 1832 1 4 . 1 1 17 17 ASN N N 17 119.334 119.334 121.553 -2.219 17762 1833 1 4 . 1 1 17 17 ASN HA H 17 4.660 4.660 4.676 -0.016 17762 1834 1 4 . 1 1 17 17 ASN CA C 17 50.223 50.223 52.937 -2.714 17762 1835 1 4 . 1 1 17 17 ASN CB C 17 37.346 37.346 38.037 -0.691 17762 1836 1 4 . 1 1 17 17 ASN H H 17 7.983 7.983 8.722 -0.739 17762 1837 1 4 . 1 1 18 18 SER N N 18 117.557 117.557 116.982 0.575 17762 1838 1 4 . 1 1 18 18 SER HA H 18 4.187 4.187 4.743 -0.556 17762 1839 1 4 . 1 1 18 18 SER CA C 18 53.443 53.443 57.126 -3.683 17762 1840 1 4 . 1 1 18 18 SER CB C 18 60.468 60.468 63.213 -2.745 17762 1841 1 4 . 1 1 18 18 SER H H 18 8.291 8.291 8.177 0.114 17762 1842 1 4 . 1 1 19 19 PRO HA H 19 4.204 4.204 4.426 -0.222 17762 1843 1 4 . 1 1 19 19 PRO CA C 19 60.468 60.468 62.631 -2.163 17762 1844 1 4 . 1 1 19 19 PRO CB C 19 29.147 29.147 31.977 -2.830 17762 1845 1 4 . 1 1 20 20 SER N N 20 115.589 115.589 114.082 1.507 17762 1846 1 4 . 1 1 20 20 SER HA H 20 4.370 4.370 4.196 0.174 17762 1847 1 4 . 1 1 20 20 SER CA C 20 54.907 54.907 58.443 -3.536 17762 1848 1 4 . 1 1 20 20 SER CB C 20 61.347 61.347 62.990 -1.643 17762 1849 1 4 . 1 1 20 20 SER H H 20 8.118 8.118 8.365 -0.247 17762 1850 1 4 . 1 1 21 21 SER N N 21 118.787 118.787 115.781 3.006 17762 1851 1 4 . 1 1 21 21 SER HA H 21 4.398 4.398 4.364 0.034 17762 1852 1 4 . 1 1 21 21 SER CA C 21 56.370 56.370 57.879 -1.509 17762 1853 1 4 . 1 1 21 21 SER CB C 21 61.639 61.639 63.885 -2.246 17762 1854 1 4 . 1 1 21 21 SER H H 21 8.406 8.406 8.401 0.005 17762 1855 1 4 . 1 1 22 22 SER N N 22 116.967 116.967 118.730 -1.763 17762 1856 1 4 . 1 1 22 22 SER HA H 22 4.579 4.579 4.755 -0.176 17762 1857 1 4 . 1 1 22 22 SER CA C 22 56.076 56.076 57.442 -1.366 17762 1858 1 4 . 1 1 22 22 SER CB C 22 61.054 61.054 64.695 -3.641 17762 1859 1 4 . 1 1 22 22 SER H H 22 8.278 8.278 8.168 0.110 17762 1860 1 4 . 1 1 23 23 SER N N 23 119.166 119.166 117.853 1.313 17762 1861 1 4 . 1 1 23 23 SER HA H 23 4.520 4.520 4.091 0.429 17762 1862 1 4 . 1 1 23 23 SER CA C 23 57.956 57.956 61.103 -3.147 17762 1863 1 4 . 1 1 23 23 SER CB C 23 61.639 61.639 62.703 -1.064 17762 1864 1 4 . 1 1 23 23 SER H H 23 8.376 8.376 8.865 -0.489 17762 1865 1 4 . 1 1 24 24 ASN N N 24 120.511 120.511 122.191 -1.680 17762 1866 1 4 . 1 1 24 24 ASN HA H 24 4.940 4.940 4.396 0.544 17762 1867 1 4 . 1 1 24 24 ASN CA C 24 50.516 50.516 56.799 -6.283 17762 1868 1 4 . 1 1 24 24 ASN CB C 24 36.758 36.758 38.141 -1.383 17762 1869 1 4 . 1 1 24 24 ASN H H 24 8.483 8.483 7.989 0.494 17762 1870 1 4 . 1 1 25 25 TYR N N 25 121.549 121.549 119.738 1.811 17762 1871 1 4 . 1 1 25 25 TYR HA H 25 3.941 3.941 4.212 -0.271 17762 1872 1 4 . 1 1 25 25 TYR CA C 25 59.883 59.883 61.406 -1.523 17762 1873 1 4 . 1 1 25 25 TYR CB C 25 36.465 36.465 37.812 -1.347 17762 1874 1 4 . 1 1 25 25 TYR H H 25 7.765 7.765 8.049 -0.284 17762 1875 1 4 . 1 1 26 26 CYS N N 26 115.301 115.301 118.789 -3.488 17762 1876 1 4 . 1 1 26 26 CYS HA H 26 3.784 3.784 4.192 -0.408 17762 1877 1 4 . 1 1 26 26 CYS CA C 26 59.005 59.005 63.394 -4.388 17762 1878 1 4 . 1 1 26 26 CYS CB C 26 37.636 37.636 25.923 11.713 17762 1879 1 4 . 1 1 26 26 CYS H H 26 7.800 7.800 7.884 -0.084 17762 1880 1 4 . 1 1 27 27 ASN N N 27 120.386 120.386 117.805 2.581 17762 1881 1 4 . 1 1 27 27 ASN HA H 27 4.376 4.376 4.415 -0.039 17762 1882 1 4 . 1 1 27 27 ASN CA C 27 53.736 53.736 56.733 -2.997 17762 1883 1 4 . 1 1 27 27 ASN CB C 27 34.416 34.416 38.341 -3.925 17762 1884 1 4 . 1 1 27 27 ASN H H 27 7.774 7.774 8.341 -0.567 17762 1885 1 4 . 1 1 28 28 LEU N N 28 120.114 120.114 122.327 -2.213 17762 1886 1 4 . 1 1 28 28 LEU HA H 28 4.085 4.085 4.034 0.051 17762 1887 1 4 . 1 1 28 28 LEU CA C 28 55.199 55.199 58.505 -3.306 17762 1888 1 4 . 1 1 28 28 LEU CB C 28 39.978 39.978 41.421 -1.443 17762 1889 1 4 . 1 1 28 28 LEU H H 28 7.434 7.434 8.623 -1.189 17762 1890 1 4 . 1 1 29 29 MET N N 29 118.101 118.101 118.359 -0.258 17762 1891 1 4 . 1 1 29 29 MET HA H 29 4.189 4.189 3.867 0.322 17762 1892 1 4 . 1 1 29 29 MET CA C 29 53.443 53.443 58.942 -5.499 17762 1893 1 4 . 1 1 29 29 MET CB C 29 28.269 28.269 32.073 -3.804 17762 1894 1 4 . 1 1 29 29 MET H H 29 8.474 8.474 8.074 0.400 17762 1895 1 4 . 1 1 30 30 MET N N 30 116.980 116.980 120.534 -3.554 17762 1896 1 4 . 1 1 30 30 MET HA H 30 4.308 4.308 4.019 0.289 17762 1897 1 4 . 1 1 30 30 MET CA C 30 54.614 54.614 58.573 -3.959 17762 1898 1 4 . 1 1 30 30 MET CB C 30 27.098 27.098 31.549 -4.451 17762 1899 1 4 . 1 1 30 30 MET H H 30 8.672 8.672 8.498 0.174 17762 1900 1 4 . 1 1 31 31 CYS N N 31 116.217 116.217 117.993 -1.776 17762 1901 1 4 . 1 1 31 31 CYS HA H 31 4.713 4.713 4.081 0.632 17762 1902 1 4 . 1 1 31 31 CYS CA C 31 55.786 55.786 62.356 -6.570 17762 1903 1 4 . 1 1 31 31 CYS CB C 31 39.392 39.392 27.479 11.913 17762 1904 1 4 . 1 1 31 31 CYS H H 31 6.592 6.592 8.376 -1.784 17762 1905 1 4 . 1 1 32 32 CYS N N 32 124.056 124.056 119.223 4.833 17762 1906 1 4 . 1 1 32 32 CYS HA H 32 4.410 4.410 4.106 0.304 17762 1907 1 4 . 1 1 32 32 CYS CA C 32 56.078 56.078 61.492 -5.414 17762 1908 1 4 . 1 1 32 32 CYS CB C 32 37.343 37.343 28.044 9.300 17762 1909 1 4 . 1 1 32 32 CYS H H 32 9.448 9.448 8.487 0.961 17762 1910 1 4 . 1 1 33 33 ARG N N 33 116.829 116.829 119.196 -2.367 17762 1911 1 4 . 1 1 33 33 ARG HA H 33 4.467 4.467 4.218 0.249 17762 1912 1 4 . 1 1 33 33 ARG CA C 33 50.809 50.809 57.108 -6.299 17762 1913 1 4 . 1 1 33 33 ARG CB C 33 26.220 26.220 30.727 -4.508 17762 1914 1 4 . 1 1 33 33 ARG H H 33 8.099 8.099 8.156 -0.057 17762 1915 1 4 . 1 1 34 34 LYS N N 34 111.068 111.068 117.671 -6.603 17762 1916 1 4 . 1 1 34 34 LYS HA H 34 4.360 4.360 4.080 0.280 17762 1917 1 4 . 1 1 34 34 LYS CA C 34 54.321 54.321 57.148 -2.827 17762 1918 1 4 . 1 1 34 34 LYS CB C 34 25.634 25.634 30.360 -4.726 17762 1919 1 4 . 1 1 34 34 LYS H H 34 7.690 7.690 8.272 -0.582 17762 1920 1 4 . 1 1 35 35 MET N N 35 116.639 116.639 116.404 0.235 17762 1921 1 4 . 1 1 35 35 MET HA H 35 4.749 4.749 4.548 0.201 17762 1922 1 4 . 1 1 35 35 MET CA C 35 53.443 53.443 55.350 -1.907 17762 1923 1 4 . 1 1 35 35 MET CB C 35 30.903 30.903 30.286 0.617 17762 1924 1 4 . 1 1 35 35 MET H H 35 8.195 8.195 8.004 0.191 17762 1925 1 4 . 1 1 36 36 THR N N 36 107.641 107.641 109.803 -2.162 17762 1926 1 4 . 1 1 36 36 THR HA H 36 5.292 5.292 4.837 0.455 17762 1927 1 4 . 1 1 36 36 THR CA C 36 58.127 58.127 61.139 -3.012 17762 1928 1 4 . 1 1 36 36 THR CB C 36 66.030 66.030 69.830 -3.800 17762 1929 1 4 . 1 1 36 36 THR H H 36 7.562 7.562 7.863 -0.301 17762 1930 1 4 . 1 1 37 37 GLN N N 37 121.079 121.079 121.106 -0.027 17762 1931 1 4 . 1 1 37 37 GLN HA H 37 4.554 4.554 4.153 0.401 17762 1932 1 4 . 1 1 37 37 GLN CA C 37 52.858 52.858 58.561 -5.703 17762 1933 1 4 . 1 1 37 37 GLN CB C 37 26.220 26.220 28.570 -2.350 17762 1934 1 4 . 1 1 37 37 GLN H H 37 7.334 7.334 8.643 -1.309 17762 1935 1 4 . 1 1 38 38 GLY N N 38 118.390 118.390 105.833 12.557 17762 1936 1 4 . 1 1 38 38 GLY CA C 38 43.783 43.783 45.185 -1.402 17762 1937 1 4 . 1 1 38 38 GLY H H 38 8.345 8.345 8.168 0.177 17762 1938 1 4 . 1 1 39 39 LYS N N 39 116.961 116.961 117.703 -0.742 17762 1939 1 4 . 1 1 39 39 LYS HA H 39 3.555 3.555 3.808 -0.253 17762 1940 1 4 . 1 1 39 39 LYS CA C 39 52.272 52.272 54.181 -1.909 17762 1941 1 4 . 1 1 39 39 LYS CB C 39 31.196 31.196 33.695 -2.499 17762 1942 1 4 . 1 1 39 39 LYS H H 39 7.222 7.222 7.463 -0.241 17762 1943 1 4 . 1 1 40 40 CYS N N 40 119.480 119.480 116.204 3.276 17762 1944 1 4 . 1 1 40 40 CYS HA H 40 4.787 4.787 4.838 -0.051 17762 1945 1 4 . 1 1 40 40 CYS CA C 40 50.809 50.809 56.146 -5.337 17762 1946 1 4 . 1 1 40 40 CYS CB C 40 34.101 34.101 28.692 5.409 17762 1947 1 4 . 1 1 40 40 CYS H H 40 8.891 8.891 8.608 0.283 17762 1948 1 4 . 1 1 41 41 LYS N N 41 130.320 130.320 123.879 6.441 17762 1949 1 4 . 1 1 41 41 LYS HA H 41 4.550 4.550 4.503 0.047 17762 1950 1 4 . 1 1 41 41 LYS CA C 41 53.443 53.443 55.140 -1.697 17762 1951 1 4 . 1 1 41 41 LYS CB C 41 31.489 31.489 32.185 -0.696 17762 1952 1 4 . 1 1 41 41 LYS H H 41 7.902 7.902 8.291 -0.389 17762 1953 1 4 . 1 1 42 42 PRO HA H 42 4.600 4.600 4.179 0.421 17762 1954 1 4 . 1 1 42 42 PRO CA C 42 63.981 63.981 64.545 -0.564 17762 1955 1 4 . 1 1 42 42 PRO CB C 42 29.732 29.732 32.139 -2.407 17762 1956 1 4 . 1 1 43 43 VAL N N 43 111.738 111.738 111.214 0.524 17762 1957 1 4 . 1 1 43 43 VAL HA H 43 5.302 5.302 4.809 0.493 17762 1958 1 4 . 1 1 43 43 VAL CA C 43 56.663 56.663 58.867 -2.204 17762 1959 1 4 . 1 1 43 43 VAL CB C 43 32.952 32.952 34.733 -1.781 17762 1960 1 4 . 1 1 43 43 VAL H H 43 6.967 6.967 7.298 -0.331 17762 1961 1 4 . 1 1 44 44 ASN N N 44 120.558 120.558 123.169 -2.611 17762 1962 1 4 . 1 1 44 44 ASN HA H 44 4.770 4.770 4.882 -0.112 17762 1963 1 4 . 1 1 44 44 ASN CA C 44 51.687 51.687 52.539 -0.852 17762 1964 1 4 . 1 1 44 44 ASN CB C 44 41.734 41.734 42.160 -0.426 17762 1965 1 4 . 1 1 44 44 ASN H H 44 8.741 8.741 9.162 -0.421 17762 1966 1 4 . 1 1 45 45 THR N N 45 120.658 120.658 115.342 5.316 17762 1967 1 4 . 1 1 45 45 THR HA H 45 5.142 5.142 4.527 0.615 17762 1968 1 4 . 1 1 45 45 THR CA C 45 59.005 59.005 61.090 -2.085 17762 1969 1 4 . 1 1 45 45 THR CB C 45 68.079 68.079 71.534 -3.455 17762 1970 1 4 . 1 1 45 45 THR H H 45 6.938 6.938 7.733 -0.795 17762 1971 1 4 . 1 1 46 46 PHE N N 46 125.168 125.168 119.790 5.378 17762 1972 1 4 . 1 1 46 46 PHE HA H 46 4.916 4.916 5.024 -0.108 17762 1973 1 4 . 1 1 46 46 PHE CA C 46 54.321 54.321 55.093 -0.772 17762 1974 1 4 . 1 1 46 46 PHE CB C 46 26.692 26.692 41.323 -14.631 17762 1975 1 4 . 1 1 46 46 PHE H H 46 9.318 9.318 8.726 0.592 17762 1976 1 4 . 1 1 47 47 VAL N N 47 121.430 121.430 118.227 3.203 17762 1977 1 4 . 1 1 47 47 VAL HA H 47 4.212 4.212 4.505 -0.293 17762 1978 1 4 . 1 1 47 47 VAL CA C 47 59.280 59.280 61.640 -2.360 17762 1979 1 4 . 1 1 47 47 VAL CB C 47 30.025 30.025 33.371 -3.346 17762 1980 1 4 . 1 1 47 47 VAL H H 47 9.333 9.333 8.380 0.953 17762 1981 1 4 . 1 1 48 48 HIS N N 48 125.243 125.243 119.997 5.246 17762 1982 1 4 . 1 1 48 48 HIS HA H 48 5.314 5.314 5.016 0.298 17762 1983 1 4 . 1 1 48 48 HIS CA C 48 51.979 51.979 55.163 -3.184 17762 1984 1 4 . 1 1 48 48 HIS CB C 48 25.634 25.634 29.866 -4.232 17762 1985 1 4 . 1 1 48 48 HIS H H 48 8.772 8.772 8.940 -0.168 17762 1986 1 4 . 1 1 49 49 GLU N N 49 117.070 117.070 121.366 -4.296 17762 1987 1 4 . 1 1 49 49 GLU HA H 49 4.763 4.763 4.678 0.085 17762 1988 1 4 . 1 1 49 49 GLU CA C 49 51.101 51.101 54.871 -3.770 17762 1989 1 4 . 1 1 49 49 GLU CB C 49 28.269 28.269 33.722 -5.453 17762 1990 1 4 . 1 1 49 49 GLU H H 49 6.558 6.558 8.119 -1.561 17762 1991 1 4 . 1 1 50 50 SER N N 50 117.468 117.468 117.611 -0.143 17762 1992 1 4 . 1 1 50 50 SER HA H 50 4.240 4.240 4.727 -0.487 17762 1993 1 4 . 1 1 50 50 SER CA C 50 55.199 55.199 57.568 -2.369 17762 1994 1 4 . 1 1 50 50 SER CB C 50 61.932 61.932 64.205 -2.273 17762 1995 1 4 . 1 1 50 50 SER H H 50 9.589 9.589 8.638 0.951 17762 1996 1 4 . 1 1 51 51 LEU N N 51 124.046 124.046 128.133 -4.087 17762 1997 1 4 . 1 1 51 51 LEU HA H 51 4.088 4.088 3.968 0.120 17762 1998 1 4 . 1 1 51 51 LEU CA C 51 55.785 55.785 58.709 -2.924 17762 1999 1 4 . 1 1 51 51 LEU CB C 51 38.514 38.514 41.946 -3.432 17762 2000 1 4 . 1 1 51 51 LEU H H 51 8.783 8.783 9.024 -0.241 17762 2001 1 4 . 1 1 52 52 ALA N N 52 120.494 120.494 118.654 1.840 17762 2002 1 4 . 1 1 52 52 ALA HA H 52 3.959 3.959 3.914 0.045 17762 2003 1 4 . 1 1 52 52 ALA CA C 52 52.858 52.858 54.983 -2.125 17762 2004 1 4 . 1 1 52 52 ALA CB C 52 15.682 15.682 17.911 -2.229 17762 2005 1 4 . 1 1 52 52 ALA H H 52 8.462 8.462 8.165 0.297 17762 2006 1 4 . 1 1 53 53 ASP N N 53 120.265 120.265 119.723 0.542 17762 2007 1 4 . 1 1 53 53 ASP HA H 53 4.372 4.372 4.516 -0.144 17762 2008 1 4 . 1 1 53 53 ASP CA C 53 54.907 54.907 56.815 -1.908 17762 2009 1 4 . 1 1 53 53 ASP CB C 53 37.050 37.050 40.840 -3.790 17762 2010 1 4 . 1 1 53 53 ASP H H 53 7.835 7.835 7.723 0.112 17762 2011 1 4 . 1 1 54 54 VAL N N 54 121.771 121.771 120.806 0.965 17762 2012 1 4 . 1 1 54 54 VAL HA H 54 3.703 3.703 3.616 0.087 17762 2013 1 4 . 1 1 54 54 VAL CA C 54 64.274 64.274 66.447 -2.173 17762 2014 1 4 . 1 1 54 54 VAL CB C 54 29.147 29.147 31.229 -2.082 17762 2015 1 4 . 1 1 54 54 VAL H H 54 7.879 7.879 8.274 -0.395 17762 2016 1 4 . 1 1 55 55 LYS N N 55 119.973 119.973 120.214 -0.241 17762 2017 1 4 . 1 1 55 55 LYS HA H 55 3.641 3.641 3.980 -0.339 17762 2018 1 4 . 1 1 55 55 LYS CA C 55 57.839 57.839 59.379 -1.540 17762 2019 1 4 . 1 1 55 55 LYS CB C 55 29.732 29.732 32.270 -2.538 17762 2020 1 4 . 1 1 55 55 LYS H H 55 9.000 9.000 8.318 0.682 17762 2021 1 4 . 1 1 56 56 ALA N N 56 120.213 120.213 122.853 -2.640 17762 2022 1 4 . 1 1 56 56 ALA HA H 56 4.015 4.015 3.958 0.057 17762 2023 1 4 . 1 1 56 56 ALA CA C 56 51.394 51.394 55.006 -3.612 17762 2024 1 4 . 1 1 56 56 ALA CB C 56 14.803 14.803 18.296 -3.493 17762 2025 1 4 . 1 1 56 56 ALA H H 56 7.534 7.534 8.164 -0.630 17762 2026 1 4 . 1 1 57 57 VAL N N 57 121.006 121.006 118.227 2.779 17762 2027 1 4 . 1 1 57 57 VAL HA H 57 3.203 3.203 3.640 -0.437 17762 2028 1 4 . 1 1 57 57 VAL CA C 57 63.396 63.396 66.827 -3.431 17762 2029 1 4 . 1 1 57 57 VAL CB C 57 28.561 28.561 30.690 -2.129 17762 2030 1 4 . 1 1 57 57 VAL H H 57 7.575 7.575 8.718 -1.143 17762 2031 1 4 . 1 1 58 58 CYS N N 58 113.037 113.037 115.402 -2.365 17762 2032 1 4 . 1 1 58 58 CYS HA H 58 3.520 3.520 4.047 -0.527 17762 2033 1 4 . 1 1 58 58 CYS CA C 58 51.979 51.979 60.227 -8.248 17762 2034 1 4 . 1 1 58 58 CYS CB C 58 36.465 36.465 26.014 10.451 17762 2035 1 4 . 1 1 58 58 CYS H H 58 6.809 6.809 7.688 -0.879 17762 2036 1 4 . 1 1 59 59 SER N N 59 113.164 113.164 114.260 -1.096 17762 2037 1 4 . 1 1 59 59 SER HA H 59 4.569 4.569 4.188 0.381 17762 2038 1 4 . 1 1 59 59 SER CA C 59 55.785 55.785 59.034 -3.249 17762 2039 1 4 . 1 1 59 59 SER CB C 59 61.054 61.054 62.839 -1.785 17762 2040 1 4 . 1 1 59 59 SER H H 59 7.480 7.480 7.928 -0.448 17762 2041 1 4 . 1 1 60 60 GLN N N 60 124.351 124.351 121.680 2.671 17762 2042 1 4 . 1 1 60 60 GLN HA H 60 4.599 4.599 4.525 0.074 17762 2043 1 4 . 1 1 60 60 GLN CA C 60 52.565 52.565 56.567 -4.002 17762 2044 1 4 . 1 1 60 60 GLN CB C 60 22.414 22.414 30.606 -8.192 17762 2045 1 4 . 1 1 60 60 GLN H H 60 7.702 7.702 7.732 -0.030 17762 2046 1 4 . 1 1 61 61 LYS N N 61 122.353 122.353 122.094 0.259 17762 2047 1 4 . 1 1 61 61 LYS HA H 61 4.261 4.261 4.465 -0.204 17762 2048 1 4 . 1 1 61 61 LYS CA C 61 54.614 54.614 54.897 -0.283 17762 2049 1 4 . 1 1 61 61 LYS CB C 61 31.489 31.489 33.064 -1.575 17762 2050 1 4 . 1 1 61 61 LYS H H 61 7.540 7.540 8.280 -0.740 17762 2051 1 4 . 1 1 62 62 LYS N N 62 129.878 129.878 128.207 1.671 17762 2052 1 4 . 1 1 62 62 LYS HA H 62 4.050 4.050 3.224 0.826 17762 2053 1 4 . 1 1 62 62 LYS CA C 62 54.907 54.907 56.516 -1.609 17762 2054 1 4 . 1 1 62 62 LYS CB C 62 30.318 30.318 31.621 -1.303 17762 2055 1 4 . 1 1 62 62 LYS H H 62 8.408 8.408 8.434 -0.026 17762 2056 1 4 . 1 1 63 63 VAL N N 63 121.631 121.631 123.816 -2.185 17762 2057 1 4 . 1 1 63 63 VAL HA H 63 4.516 4.516 4.461 0.055 17762 2058 1 4 . 1 1 63 63 VAL CA C 63 56.663 56.663 59.348 -2.685 17762 2059 1 4 . 1 1 63 63 VAL CB C 63 33.538 33.538 34.936 -1.398 17762 2060 1 4 . 1 1 63 63 VAL H H 63 8.317 8.317 8.389 -0.072 17762 2061 1 4 . 1 1 64 64 THR N N 64 116.885 116.885 118.892 -2.007 17762 2062 1 4 . 1 1 64 64 THR HA H 64 4.296 4.296 4.327 -0.031 17762 2063 1 4 . 1 1 64 64 THR CA C 64 60.468 60.468 62.580 -2.111 17762 2064 1 4 . 1 1 64 64 THR CB C 64 67.201 67.201 67.780 -0.579 17762 2065 1 4 . 1 1 64 64 THR H H 64 7.965 7.965 8.189 -0.224 17762 2066 1 4 . 1 1 65 65 CYS N N 65 124.789 124.789 126.258 -1.469 17762 2067 1 4 . 1 1 65 65 CYS HA H 65 4.407 4.407 4.259 0.148 17762 2068 1 4 . 1 1 65 65 CYS CA C 65 51.101 51.101 59.722 -8.621 17762 2069 1 4 . 1 1 65 65 CYS CB C 65 36.465 36.465 28.492 7.973 17762 2070 1 4 . 1 1 65 65 CYS H H 65 8.790 8.790 8.518 0.272 17762 2071 1 4 . 1 1 66 66 LYS N N 66 128.070 128.070 123.633 4.437 17762 2072 1 4 . 1 1 66 66 LYS HA H 66 3.993 3.993 3.969 0.024 17762 2073 1 4 . 1 1 66 66 LYS CA C 66 56.663 56.663 59.055 -2.392 17762 2074 1 4 . 1 1 66 66 LYS CB C 66 28.854 28.854 32.485 -3.631 17762 2075 1 4 . 1 1 66 66 LYS H H 66 10.959 10.959 8.920 2.039 17762 2076 1 4 . 1 1 67 67 ASP N N 67 117.000 117.000 115.906 1.094 17762 2077 1 4 . 1 1 67 67 ASP HA H 67 4.459 4.459 4.530 -0.071 17762 2078 1 4 . 1 1 67 67 ASP CA C 67 50.809 50.809 53.764 -2.954 17762 2079 1 4 . 1 1 67 67 ASP CB C 67 37.636 37.636 39.796 -2.160 17762 2080 1 4 . 1 1 67 67 ASP H H 67 8.021 8.021 8.048 -0.027 17762 2081 1 4 . 1 1 68 68 GLY N N 68 108.831 108.831 108.981 -0.150 17762 2082 1 4 . 1 1 68 68 GLY CA C 68 42.612 42.612 46.048 -3.436 17762 2083 1 4 . 1 1 68 68 GLY H H 68 8.029 8.029 8.243 -0.214 17762 2084 1 4 . 1 1 69 69 GLN N N 69 120.061 120.061 117.915 2.146 17762 2085 1 4 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.689 -0.332 17762 2086 1 4 . 1 1 69 69 GLN CA C 69 54.264 54.264 54.381 -0.117 17762 2087 1 4 . 1 1 69 69 GLN CB C 69 27.683 27.683 30.876 -3.193 17762 2088 1 4 . 1 1 69 69 GLN H H 69 8.115 8.115 8.645 -0.530 17762 2089 1 4 . 1 1 70 70 THR N N 70 112.531 112.531 115.547 -3.016 17762 2090 1 4 . 1 1 70 70 THR HA H 70 4.475 4.475 3.967 0.508 17762 2091 1 4 . 1 1 70 70 THR CA C 70 58.712 58.712 63.036 -4.324 17762 2092 1 4 . 1 1 70 70 THR CB C 70 67.201 67.201 68.169 -0.968 17762 2093 1 4 . 1 1 70 70 THR H H 70 8.553 8.553 8.534 0.019 17762 2094 1 4 . 1 1 71 71 ASN N N 71 119.619 119.619 113.793 5.826 17762 2095 1 4 . 1 1 71 71 ASN HA H 71 4.847 4.847 4.296 0.551 17762 2096 1 4 . 1 1 71 71 ASN CA C 71 50.516 50.516 54.123 -3.607 17762 2097 1 4 . 1 1 71 71 ASN CB C 71 35.587 35.587 36.301 -0.714 17762 2098 1 4 . 1 1 71 71 ASN H H 71 8.219 8.219 8.385 -0.166 17762 2099 1 4 . 1 1 72 72 CYS N N 72 118.100 118.100 117.278 0.822 17762 2100 1 4 . 1 1 72 72 CYS HA H 72 5.424 5.424 5.575 -0.151 17762 2101 1 4 . 1 1 72 72 CYS CA C 72 56.956 56.956 56.438 0.518 17762 2102 1 4 . 1 1 72 72 CYS CB C 72 43.198 43.198 30.736 12.462 17762 2103 1 4 . 1 1 72 72 CYS H H 72 7.477 7.477 8.033 -0.556 17762 2104 1 4 . 1 1 73 73 TYR N N 73 119.843 119.843 119.142 0.701 17762 2105 1 4 . 1 1 73 73 TYR HA H 73 5.121 5.121 5.058 0.063 17762 2106 1 4 . 1 1 73 73 TYR CA C 73 55.199 55.199 56.760 -1.561 17762 2107 1 4 . 1 1 73 73 TYR CB C 73 41.441 41.441 42.433 -0.992 17762 2108 1 4 . 1 1 73 73 TYR H H 73 8.983 8.983 9.318 -0.335 17762 2109 1 4 . 1 1 74 74 GLN N N 74 123.174 123.174 123.212 -0.038 17762 2110 1 4 . 1 1 74 74 GLN HA H 74 5.408 5.408 4.915 0.493 17762 2111 1 4 . 1 1 74 74 GLN CA C 74 49.930 49.930 54.184 -4.254 17762 2112 1 4 . 1 1 74 74 GLN H H 74 9.477 9.477 9.158 0.319 17762 2113 1 4 . 1 1 75 75 SER N N 75 122.742 122.742 123.985 -1.243 17762 2114 1 4 . 1 1 75 75 SER HA H 75 4.679 4.679 4.438 0.241 17762 2115 1 4 . 1 1 75 75 SER CA C 75 55.764 55.764 58.893 -3.129 17762 2116 1 4 . 1 1 75 75 SER CB C 75 62.424 62.424 64.059 -1.635 17762 2117 1 4 . 1 1 75 75 SER H H 75 9.286 9.286 8.887 0.399 17762 2118 1 4 . 1 1 76 76 LYS N N 76 127.293 127.293 122.763 4.530 17762 2119 1 4 . 1 1 76 76 LYS HA H 76 4.202 4.202 3.954 0.248 17762 2120 1 4 . 1 1 76 76 LYS CA C 76 56.370 56.370 58.537 -2.167 17762 2121 1 4 . 1 1 76 76 LYS CB C 76 30.318 30.318 32.505 -2.187 17762 2122 1 4 . 1 1 76 76 LYS H H 76 8.938 8.938 8.845 0.093 17762 2123 1 4 . 1 1 77 77 SER N N 77 114.297 114.297 113.235 1.062 17762 2124 1 4 . 1 1 77 77 SER HA H 77 4.888 4.888 4.670 0.218 17762 2125 1 4 . 1 1 77 77 SER CA C 77 53.736 53.736 57.076 -3.340 17762 2126 1 4 . 1 1 77 77 SER CB C 77 62.810 62.810 65.500 -2.690 17762 2127 1 4 . 1 1 77 77 SER H H 77 8.592 8.592 7.636 0.956 17762 2128 1 4 . 1 1 78 78 THR N N 78 113.859 113.859 113.852 0.007 17762 2129 1 4 . 1 1 78 78 THR HA H 78 3.254 3.254 4.029 -0.775 17762 2130 1 4 . 1 1 78 78 THR CA C 78 59.883 59.883 62.724 -2.841 17762 2131 1 4 . 1 1 78 78 THR CB C 78 66.908 66.908 69.233 -2.325 17762 2132 1 4 . 1 1 78 78 THR H H 78 8.134 8.134 8.048 0.086 17762 2133 1 4 . 1 1 79 79 MET N N 79 121.299 121.299 119.045 2.254 17762 2134 1 4 . 1 1 79 79 MET HA H 79 4.643 4.643 4.827 -0.184 17762 2135 1 4 . 1 1 79 79 MET CA C 79 52.858 52.858 53.290 -0.432 17762 2136 1 4 . 1 1 79 79 MET CB C 79 34.416 34.416 37.663 -3.247 17762 2137 1 4 . 1 1 79 79 MET H H 79 8.508 8.508 8.867 -0.359 17762 2138 1 4 . 1 1 80 80 ARG N N 80 122.767 122.767 121.148 1.619 17762 2139 1 4 . 1 1 80 80 ARG HA H 80 4.376 4.376 4.615 -0.239 17762 2140 1 4 . 1 1 80 80 ARG CA C 80 54.907 54.907 55.696 -0.789 17762 2141 1 4 . 1 1 80 80 ARG CB C 80 27.391 27.391 30.511 -3.120 17762 2142 1 4 . 1 1 80 80 ARG H H 80 9.508 9.508 9.662 -0.154 17762 2143 1 4 . 1 1 81 81 ILE N N 81 120.594 120.594 118.430 2.164 17762 2144 1 4 . 1 1 81 81 ILE HA H 81 5.284 5.284 5.248 0.036 17762 2145 1 4 . 1 1 81 81 ILE CA C 81 56.663 56.663 58.933 -2.270 17762 2146 1 4 . 1 1 81 81 ILE CB C 81 39.978 39.978 42.474 -2.496 17762 2147 1 4 . 1 1 81 81 ILE H H 81 8.645 8.645 9.346 -0.701 17762 2148 1 4 . 1 1 82 82 THR N N 82 119.200 119.200 119.753 -0.553 17762 2149 1 4 . 1 1 82 82 THR HA H 82 5.020 5.020 5.002 0.018 17762 2150 1 4 . 1 1 82 82 THR CA C 82 60.176 60.176 61.963 -1.787 17762 2151 1 4 . 1 1 82 82 THR CB C 82 68.372 68.372 69.632 -1.260 17762 2152 1 4 . 1 1 82 82 THR H H 82 9.256 9.256 9.042 0.214 17762 2153 1 4 . 1 1 83 83 ASP N N 83 127.841 127.841 128.824 -0.983 17762 2154 1 4 . 1 1 83 83 ASP HA H 83 5.029 5.029 4.403 0.626 17762 2155 1 4 . 1 1 83 83 ASP CA C 83 51.101 51.101 55.519 -4.418 17762 2156 1 4 . 1 1 83 83 ASP CB C 83 40.563 40.563 42.407 -1.845 17762 2157 1 4 . 1 1 83 83 ASP H H 83 9.241 9.241 9.149 0.092 17762 2158 1 4 . 1 1 84 84 CYS N N 84 122.123 122.123 125.195 -3.072 17762 2159 1 4 . 1 1 84 84 CYS HA H 84 5.940 5.940 5.080 0.860 17762 2160 1 4 . 1 1 84 84 CYS CA C 84 49.345 49.345 57.354 -8.009 17762 2161 1 4 . 1 1 84 84 CYS CB C 84 36.465 36.465 28.241 8.223 17762 2162 1 4 . 1 1 84 84 CYS H H 84 8.808 8.808 8.715 0.093 17762 2163 1 4 . 1 1 85 85 ARG N N 85 122.200 122.200 127.541 -5.341 17762 2164 1 4 . 1 1 85 85 ARG HA H 85 5.412 5.412 5.459 -0.047 17762 2165 1 4 . 1 1 85 85 ARG CA C 85 52.272 52.272 53.757 -1.485 17762 2166 1 4 . 1 1 85 85 ARG CB C 85 30.903 30.903 35.397 -4.494 17762 2167 1 4 . 1 1 85 85 ARG H H 85 8.204 8.204 9.385 -1.181 17762 2168 1 4 . 1 1 86 86 GLU N N 86 128.674 128.674 123.217 5.457 17762 2169 1 4 . 1 1 86 86 GLU HA H 86 4.288 4.288 4.731 -0.443 17762 2170 1 4 . 1 1 86 86 GLU CA C 86 55.199 55.199 55.653 -0.454 17762 2171 1 4 . 1 1 86 86 GLU CB C 86 29.732 29.732 30.244 -0.512 17762 2172 1 4 . 1 1 86 86 GLU H H 86 8.762 8.762 8.602 0.160 17762 2173 1 4 . 1 1 87 87 THR N N 87 115.660 115.660 115.118 0.542 17762 2174 1 4 . 1 1 87 87 THR HA H 87 4.507 4.507 4.364 0.143 17762 2175 1 4 . 1 1 87 87 THR CA C 87 58.127 58.127 60.396 -2.269 17762 2176 1 4 . 1 1 87 87 THR CB C 87 68.665 68.665 69.430 -0.765 17762 2177 1 4 . 1 1 87 87 THR H H 87 8.118 8.118 9.046 -0.928 17762 2178 1 4 . 1 1 88 88 GLY N N 88 107.768 107.768 108.141 -0.373 17762 2179 1 4 . 1 1 88 88 GLY CA C 88 43.490 43.490 45.451 -1.961 17762 2180 1 4 . 1 1 88 88 GLY H H 88 8.774 8.774 8.598 0.176 17762 2181 1 4 . 1 1 89 89 SER N N 89 112.931 112.931 115.405 -2.474 17762 2182 1 4 . 1 1 89 89 SER HA H 89 4.503 4.503 4.545 -0.042 17762 2183 1 4 . 1 1 89 89 SER CA C 89 55.199 55.199 58.026 -2.827 17762 2184 1 4 . 1 1 89 89 SER CB C 89 61.054 61.054 64.605 -3.551 17762 2185 1 4 . 1 1 89 89 SER H H 89 7.597 7.597 8.171 -0.574 17762 2186 1 4 . 1 1 90 90 SER N N 90 118.245 118.245 119.205 -0.960 17762 2187 1 4 . 1 1 90 90 SER HA H 90 3.943 3.943 4.286 -0.343 17762 2188 1 4 . 1 1 90 90 SER CA C 90 56.370 56.370 58.875 -2.505 17762 2189 1 4 . 1 1 90 90 SER CB C 90 60.468 60.468 62.301 -1.833 17762 2190 1 4 . 1 1 90 90 SER H H 90 6.989 6.989 7.830 -0.841 17762 2191 1 4 . 1 1 91 91 LYS N N 91 129.777 129.777 127.114 2.663 17762 2192 1 4 . 1 1 91 91 LYS HA H 91 4.431 4.431 4.582 -0.151 17762 2193 1 4 . 1 1 91 91 LYS CA C 91 53.443 53.443 54.495 -1.052 17762 2194 1 4 . 1 1 91 91 LYS CB C 91 31.489 31.489 33.164 -1.675 17762 2195 1 4 . 1 1 91 91 LYS H H 91 7.527 7.527 8.447 -0.920 17762 2196 1 4 . 1 1 92 92 TYR N N 92 131.912 131.912 125.989 5.923 17762 2197 1 4 . 1 1 92 92 TYR HA H 92 3.718 3.718 4.347 -0.629 17762 2198 1 4 . 1 1 92 92 TYR CA C 92 56.078 56.078 58.003 -1.925 17762 2199 1 4 . 1 1 92 92 TYR CB C 92 35.880 35.880 38.438 -2.558 17762 2200 1 4 . 1 1 92 92 TYR H H 92 9.290 9.290 8.743 0.547 17762 2201 1 4 . 1 1 93 93 PRO HA H 93 3.028 3.028 3.812 -0.784 17762 2202 1 4 . 1 1 93 93 PRO CA C 93 61.347 61.347 63.037 -1.690 17762 2203 1 4 . 1 1 93 93 PRO CB C 93 31.196 31.196 32.377 -1.181 17762 2204 1 4 . 1 1 94 94 ASN N N 94 130.934 130.934 120.555 10.379 17762 2205 1 4 . 1 1 94 94 ASN HA H 94 4.943 4.943 4.622 0.321 17762 2206 1 4 . 1 1 94 94 ASN CA C 94 49.630 49.630 53.493 -3.863 17762 2207 1 4 . 1 1 94 94 ASN CB C 94 35.001 35.001 37.894 -2.893 17762 2208 1 4 . 1 1 94 94 ASN H H 94 8.823 8.823 8.414 0.409 17762 2209 1 4 . 1 1 95 95 CYS N N 95 122.402 122.402 120.892 1.510 17762 2210 1 4 . 1 1 95 95 CYS HA H 95 4.840 4.840 4.407 0.433 17762 2211 1 4 . 1 1 95 95 CYS CA C 95 50.516 50.516 58.386 -7.870 17762 2212 1 4 . 1 1 95 95 CYS CB C 95 35.880 35.880 25.121 10.759 17762 2213 1 4 . 1 1 95 95 CYS H H 95 7.687 7.687 8.408 -0.721 17762 2214 1 4 . 1 1 96 96 ALA N N 96 129.346 129.346 129.955 -0.609 17762 2215 1 4 . 1 1 96 96 ALA HA H 96 4.746 4.746 4.397 0.349 17762 2216 1 4 . 1 1 96 96 ALA CA C 96 49.052 49.052 51.512 -2.460 17762 2217 1 4 . 1 1 96 96 ALA CB C 96 19.194 19.194 17.946 1.248 17762 2218 1 4 . 1 1 96 96 ALA H H 96 8.634 8.634 8.341 0.293 17762 2219 1 4 . 1 1 97 97 TYR N N 97 118.353 118.353 121.701 -3.348 17762 2220 1 4 . 1 1 97 97 TYR HA H 97 4.904 4.904 5.274 -0.370 17762 2221 1 4 . 1 1 97 97 TYR CA C 97 55.785 55.785 58.334 -2.549 17762 2222 1 4 . 1 1 97 97 TYR CB C 97 41.441 41.441 40.362 1.079 17762 2223 1 4 . 1 1 97 97 TYR H H 97 9.368 9.368 8.334 1.034 17762 2224 1 4 . 1 1 98 98 LYS N N 98 125.559 125.559 124.705 0.854 17762 2225 1 4 . 1 1 98 98 LYS HA H 98 4.743 4.743 4.713 0.030 17762 2226 1 4 . 1 1 98 98 LYS CA C 98 52.565 52.565 53.942 -1.377 17762 2227 1 4 . 1 1 98 98 LYS CB C 98 31.489 31.489 36.001 -4.512 17762 2228 1 4 . 1 1 98 98 LYS H H 98 9.427 9.427 9.279 0.148 17762 2229 1 4 . 1 1 99 99 THR N N 99 126.667 126.667 121.667 5.000 17762 2230 1 4 . 1 1 99 99 THR HA H 99 5.243 5.243 5.185 0.058 17762 2231 1 4 . 1 1 99 99 THR CA C 99 60.176 60.176 61.176 -1.000 17762 2232 1 4 . 1 1 99 99 THR CB C 99 68.665 68.665 70.871 -2.206 17762 2233 1 4 . 1 1 99 99 THR H H 99 9.055 9.055 8.576 0.479 17762 2234 1 4 . 1 1 100 100 THR N N 100 124.517 124.517 120.105 4.412 17762 2235 1 4 . 1 1 100 100 THR HA H 100 4.637 4.637 4.584 0.053 17762 2236 1 4 . 1 1 100 100 THR CA C 100 59.883 59.883 61.551 -1.668 17762 2237 1 4 . 1 1 100 100 THR CB C 100 68.372 68.372 71.372 -3.000 17762 2238 1 4 . 1 1 100 100 THR H H 100 8.855 8.855 8.876 -0.021 17762 2239 1 4 . 1 1 101 101 GLN N N 101 128.586 128.586 127.668 0.918 17762 2240 1 4 . 1 1 101 101 GLN HA H 101 5.180 5.180 5.027 0.153 17762 2241 1 4 . 1 1 101 101 GLN CA C 101 53.150 53.150 55.525 -2.375 17762 2242 1 4 . 1 1 101 101 GLN CB C 101 27.098 27.098 29.689 -2.591 17762 2243 1 4 . 1 1 101 101 GLN H H 101 8.823 8.823 8.653 0.170 17762 2244 1 4 . 1 1 102 102 VAL N N 102 121.495 121.495 121.283 0.212 17762 2245 1 4 . 1 1 102 102 VAL HA H 102 4.639 4.639 4.721 -0.083 17762 2246 1 4 . 1 1 102 102 VAL CA C 102 57.834 57.834 59.814 -1.980 17762 2247 1 4 . 1 1 102 102 VAL CB C 102 34.123 34.123 36.172 -2.049 17762 2248 1 4 . 1 1 102 102 VAL H H 102 8.643 8.643 9.091 -0.448 17762 2249 1 4 . 1 1 103 103 GLU N N 103 122.031 122.031 119.649 2.382 17762 2250 1 4 . 1 1 103 103 GLU HA H 103 5.400 5.400 5.285 0.115 17762 2251 1 4 . 1 1 103 103 GLU CA C 103 52.565 52.565 54.242 -1.677 17762 2252 1 4 . 1 1 103 103 GLU CB C 103 28.269 28.269 29.346 -1.077 17762 2253 1 4 . 1 1 103 103 GLU H H 103 8.068 8.068 8.493 -0.425 17762 2254 1 4 . 1 1 104 104 LYS N N 104 122.283 122.283 121.980 0.303 17762 2255 1 4 . 1 1 104 104 LYS HA H 104 4.795 4.795 4.605 0.190 17762 2256 1 4 . 1 1 104 104 LYS CA C 104 51.979 51.979 53.647 -1.668 17762 2257 1 4 . 1 1 104 104 LYS CB C 104 37.050 37.050 36.475 0.575 17762 2258 1 4 . 1 1 104 104 LYS H H 104 8.336 8.336 8.169 0.167 17762 2259 1 4 . 1 1 105 105 HIS N N 105 119.366 119.366 119.705 -0.339 17762 2260 1 4 . 1 1 105 105 HIS HA H 105 4.407 4.407 4.829 -0.422 17762 2261 1 4 . 1 1 105 105 HIS CA C 105 54.321 54.321 56.834 -2.513 17762 2262 1 4 . 1 1 105 105 HIS CB C 105 25.341 25.341 28.708 -3.367 17762 2263 1 4 . 1 1 105 105 HIS H H 105 9.202 9.202 8.595 0.607 17762 2264 1 4 . 1 1 106 106 ILE N N 106 114.175 114.175 120.308 -6.133 17762 2265 1 4 . 1 1 106 106 ILE HA H 106 4.997 4.997 4.145 0.852 17762 2266 1 4 . 1 1 106 106 ILE CA C 106 57.541 57.541 61.751 -4.210 17762 2267 1 4 . 1 1 106 106 ILE CB C 106 38.807 38.807 38.402 0.405 17762 2268 1 4 . 1 1 106 106 ILE H H 106 8.447 8.447 8.772 -0.325 17762 2269 1 4 . 1 1 107 107 ILE N N 107 122.400 122.400 125.834 -3.434 17762 2270 1 4 . 1 1 107 107 ILE HA H 107 5.296 5.296 4.901 0.395 17762 2271 1 4 . 1 1 107 107 ILE CA C 107 57.541 57.541 58.320 -0.779 17762 2272 1 4 . 1 1 107 107 ILE CB C 107 36.758 36.758 37.391 -0.633 17762 2273 1 4 . 1 1 107 107 ILE H H 107 8.314 8.314 8.672 -0.358 17762 2274 1 4 . 1 1 108 108 VAL N N 108 118.187 118.187 123.325 -5.138 17762 2275 1 4 . 1 1 108 108 VAL HA H 108 4.888 4.888 4.529 0.358 17762 2276 1 4 . 1 1 108 108 VAL CA C 108 55.199 55.199 58.534 -3.335 17762 2277 1 4 . 1 1 108 108 VAL CB C 108 32.074 32.074 34.988 -2.914 17762 2278 1 4 . 1 1 108 108 VAL H H 108 8.907 8.907 8.984 -0.077 17762 2279 1 4 . 1 1 109 109 ALA N N 109 122.660 122.660 126.130 -3.470 17762 2280 1 4 . 1 1 109 109 ALA HA H 109 5.296 5.296 4.917 0.379 17762 2281 1 4 . 1 1 109 109 ALA CA C 109 48.174 48.174 50.554 -2.381 17762 2282 1 4 . 1 1 109 109 ALA CB C 109 19.194 19.194 19.528 -0.334 17762 2283 1 4 . 1 1 109 109 ALA H H 109 8.706 8.706 8.543 0.163 17762 2284 1 4 . 1 1 110 110 CYS N N 110 120.404 120.404 123.306 -2.902 17762 2285 1 4 . 1 1 110 110 CYS HA H 110 5.680 5.680 4.902 0.778 17762 2286 1 4 . 1 1 110 110 CYS CA C 110 53.443 53.443 57.572 -4.129 17762 2287 1 4 . 1 1 110 110 CYS CB C 110 47.003 47.003 29.376 17.627 17762 2288 1 4 . 1 1 110 110 CYS H H 110 8.797 8.797 8.370 0.427 17762 2289 1 4 . 1 1 111 111 GLY N N 111 111.123 111.123 109.901 1.222 17762 2290 1 4 . 1 1 111 111 GLY CA C 111 42.905 42.905 45.353 -2.448 17762 2291 1 4 . 1 1 111 111 GLY H H 111 9.107 9.107 8.780 0.327 17762 2292 1 4 . 1 1 112 112 GLY N N 112 107.554 107.554 106.818 0.736 17762 2293 1 4 . 1 1 112 112 GLY CA C 112 40.856 40.856 45.339 -4.483 17762 2294 1 4 . 1 1 112 112 GLY H H 112 8.206 8.206 8.250 -0.044 17762 2295 1 4 . 1 1 113 113 LYS N N 113 118.578 118.578 121.519 -2.941 17762 2296 1 4 . 1 1 113 113 LYS HA H 113 4.384 4.384 4.204 0.180 17762 2297 1 4 . 1 1 113 113 LYS CA C 113 51.100 51.100 55.147 -4.047 17762 2298 1 4 . 1 1 113 113 LYS CB C 113 32.367 32.367 32.184 0.183 17762 2299 1 4 . 1 1 113 113 LYS H H 113 7.774 7.774 8.180 -0.406 17762 2300 1 4 . 1 1 114 114 PRO HA H 114 4.615 4.615 4.468 0.147 17762 2301 1 4 . 1 1 114 114 PRO C C 114 3.597 3.597 176.523 -172.926 17762 2302 1 4 . 1 1 114 114 PRO CA C 114 60.448 60.448 62.639 -2.191 17762 2303 1 4 . 1 1 114 114 PRO CB C 114 31.781 31.781 32.499 -0.719 17762 2304 1 4 . 1 1 115 115 SER N N 115 116.201 116.201 117.144 -0.943 17762 2305 1 4 . 1 1 115 115 SER HA H 115 3.954 3.954 4.372 -0.418 17762 2306 1 4 . 1 1 115 115 SER CA C 115 56.078 56.078 58.643 -2.565 17762 2307 1 4 . 1 1 115 115 SER CB C 115 60.761 60.761 62.986 -2.225 17762 2308 1 4 . 1 1 115 115 SER H H 115 8.201 8.201 8.383 -0.182 17762 2309 1 4 . 1 1 116 116 VAL N N 116 120.540 120.540 116.927 3.613 17762 2310 1 4 . 1 1 116 116 VAL HA H 116 4.858 4.858 4.731 0.127 17762 2311 1 4 . 1 1 116 116 VAL CA C 116 56.078 56.078 57.816 -1.738 17762 2312 1 4 . 1 1 116 116 VAL CB C 116 31.196 31.196 33.920 -2.724 17762 2313 1 4 . 1 1 116 116 VAL H H 116 8.511 8.511 8.810 -0.299 17762 2314 1 4 . 1 1 117 117 PRO HA H 117 4.508 4.508 4.873 -0.365 17762 2315 1 4 . 1 1 117 117 PRO CA C 117 60.468 60.468 62.409 -1.941 17762 2316 1 4 . 1 1 117 117 PRO CB C 117 27.391 27.391 32.920 -5.529 17762 2317 1 4 . 1 1 118 118 VAL N N 118 111.972 111.972 112.019 -0.047 17762 2318 1 4 . 1 1 118 118 VAL HA H 118 4.532 4.532 4.263 0.269 17762 2319 1 4 . 1 1 118 118 VAL CA C 118 58.419 58.419 61.225 -2.806 17762 2320 1 4 . 1 1 118 118 VAL CB C 118 31.781 31.781 33.795 -2.014 17762 2321 1 4 . 1 1 118 118 VAL H H 118 8.927 8.927 8.379 0.548 17762 2322 1 4 . 1 1 119 119 HIS N N 119 121.264 121.264 116.901 4.363 17762 2323 1 4 . 1 1 119 119 HIS HA H 119 5.324 5.324 4.440 0.884 17762 2324 1 4 . 1 1 119 119 HIS CA C 119 53.443 53.443 54.671 -1.228 17762 2325 1 4 . 1 1 119 119 HIS CB C 119 30.025 30.025 34.224 -4.199 17762 2326 1 4 . 1 1 119 119 HIS H H 119 7.616 7.616 6.791 0.825 17762 2327 1 4 . 1 1 120 120 PHE HA H 120 4.283 4.283 4.681 -0.398 17762 2328 1 4 . 1 1 120 120 PHE CA C 120 55.785 55.785 57.320 -1.535 17762 2329 1 4 . 1 1 120 120 PHE CB C 120 36.172 36.172 41.994 -5.822 17762 2330 1 4 . 1 1 121 121 ASP N N 121 131.399 131.399 127.225 4.174 17762 2331 1 4 . 1 1 121 121 ASP HA H 121 4.668 4.668 4.834 -0.166 17762 2332 1 4 . 1 1 121 121 ASP CA C 121 54.614 54.614 54.643 -0.029 17762 2333 1 4 . 1 1 121 121 ASP CB C 121 44.076 44.076 42.371 1.705 17762 2334 1 4 . 1 1 121 121 ASP H H 121 8.644 8.644 8.792 -0.148 17762 2335 1 4 . 1 1 122 122 ALA N N 122 116.961 116.961 119.082 -2.121 17762 2336 1 4 . 1 1 122 122 ALA HA H 122 4.491 4.491 4.841 -0.350 17762 2337 1 4 . 1 1 122 122 ALA CA C 122 49.345 49.345 52.391 -3.046 17762 2338 1 4 . 1 1 122 122 ALA CB C 122 19.194 19.194 20.770 -1.575 17762 2339 1 4 . 1 1 122 122 ALA H H 122 7.419 7.419 7.410 0.009 17762 2340 1 4 . 1 1 123 123 SER N N 123 112.579 112.579 115.209 -2.630 17762 2341 1 4 . 1 1 123 123 SER HA H 123 5.325 5.325 5.630 -0.305 17762 2342 1 4 . 1 1 123 123 SER CA C 123 54.321 54.321 57.511 -3.190 17762 2343 1 4 . 1 1 123 123 SER CB C 123 63.981 63.981 66.316 -2.335 17762 2344 1 4 . 1 1 123 123 SER H H 123 8.092 8.092 8.429 -0.337 17762 2345 1 5 . 1 1 2 2 GLU N N 2 126.119 126.119 123.826 2.293 17762 2346 1 5 . 1 1 2 2 GLU HA H 2 4.370 4.370 4.455 -0.085 17762 2347 1 5 . 1 1 2 2 GLU CA C 2 53.440 53.440 55.883 -2.443 17762 2348 1 5 . 1 1 2 2 GLU CB C 2 29.147 29.147 29.215 -0.068 17762 2349 1 5 . 1 1 2 2 GLU H H 2 8.448 8.448 8.767 -0.319 17762 2350 1 5 . 1 1 3 3 SER N N 3 124.530 124.530 124.147 0.383 17762 2351 1 5 . 1 1 3 3 SER HA H 3 4.500 4.500 4.427 0.073 17762 2352 1 5 . 1 1 3 3 SER CA C 3 54.907 54.907 57.605 -2.698 17762 2353 1 5 . 1 1 3 3 SER CB C 3 62.511 62.511 62.226 0.285 17762 2354 1 5 . 1 1 3 3 SER H H 3 8.755 8.755 8.661 0.094 17762 2355 1 5 . 1 1 4 4 ALA N N 4 125.341 125.341 124.295 1.046 17762 2356 1 5 . 1 1 4 4 ALA HA H 4 4.216 4.216 3.865 0.351 17762 2357 1 5 . 1 1 4 4 ALA CA C 4 52.858 52.858 54.602 -1.744 17762 2358 1 5 . 1 1 4 4 ALA CB C 4 15.389 15.389 17.152 -1.763 17762 2359 1 5 . 1 1 4 4 ALA H H 4 8.961 8.961 8.310 0.651 17762 2360 1 5 . 1 1 5 5 ALA N N 5 121.896 121.896 123.472 -1.576 17762 2361 1 5 . 1 1 5 5 ALA HA H 5 4.375 4.375 4.328 0.047 17762 2362 1 5 . 1 1 5 5 ALA CA C 5 52.565 52.565 55.271 -2.706 17762 2363 1 5 . 1 1 5 5 ALA CB C 5 15.974 15.974 18.717 -2.743 17762 2364 1 5 . 1 1 5 5 ALA H H 5 8.659 8.659 8.341 0.318 17762 2365 1 5 . 1 1 6 6 ALA N N 6 123.734 123.734 121.016 2.718 17762 2366 1 5 . 1 1 6 6 ALA HA H 6 4.216 4.216 4.025 0.191 17762 2367 1 5 . 1 1 6 6 ALA CA C 6 52.272 52.272 55.171 -2.899 17762 2368 1 5 . 1 1 6 6 ALA CB C 6 15.389 15.389 17.978 -2.589 17762 2369 1 5 . 1 1 6 6 ALA H H 6 8.009 8.009 8.348 -0.339 17762 2370 1 5 . 1 1 7 7 LYS N N 7 123.118 123.118 120.312 2.806 17762 2371 1 5 . 1 1 7 7 LYS HA H 7 4.025 4.025 4.028 -0.003 17762 2372 1 5 . 1 1 7 7 LYS CA C 7 57.834 57.834 58.881 -1.047 17762 2373 1 5 . 1 1 7 7 LYS CB C 7 29.732 29.732 31.925 -2.193 17762 2374 1 5 . 1 1 7 7 LYS H H 7 8.737 8.737 8.869 -0.132 17762 2375 1 5 . 1 1 8 8 PHE N N 8 120.604 120.604 120.411 0.193 17762 2376 1 5 . 1 1 8 8 PHE HA H 8 4.388 4.388 4.156 0.232 17762 2377 1 5 . 1 1 8 8 PHE CA C 8 59.298 59.298 61.082 -1.784 17762 2378 1 5 . 1 1 8 8 PHE CB C 8 36.465 36.465 38.650 -2.185 17762 2379 1 5 . 1 1 8 8 PHE H H 8 8.058 8.058 8.813 -0.755 17762 2380 1 5 . 1 1 9 9 GLU N N 9 119.978 119.978 121.037 -1.059 17762 2381 1 5 . 1 1 9 9 GLU HA H 9 3.742 3.742 3.509 0.233 17762 2382 1 5 . 1 1 9 9 GLU CA C 9 58.127 58.127 59.523 -1.395 17762 2383 1 5 . 1 1 9 9 GLU CB C 9 35.001 35.001 29.502 5.499 17762 2384 1 5 . 1 1 9 9 GLU H H 9 7.922 7.922 8.306 -0.384 17762 2385 1 5 . 1 1 10 10 ARG N N 10 120.914 120.914 116.202 4.712 17762 2386 1 5 . 1 1 10 10 ARG HA H 10 4.197 4.197 3.938 0.259 17762 2387 1 5 . 1 1 10 10 ARG CA C 10 56.663 56.663 57.805 -1.142 17762 2388 1 5 . 1 1 10 10 ARG CB C 10 27.683 27.683 29.469 -1.786 17762 2389 1 5 . 1 1 10 10 ARG H H 10 8.323 8.323 8.326 -0.003 17762 2390 1 5 . 1 1 11 11 GLN N N 11 112.201 112.201 114.151 -1.950 17762 2391 1 5 . 1 1 11 11 GLN HA H 11 3.787 3.787 4.079 -0.292 17762 2392 1 5 . 1 1 11 11 GLN CA C 11 55.492 55.492 57.445 -1.953 17762 2393 1 5 . 1 1 11 11 GLN CB C 11 26.805 26.805 29.424 -2.619 17762 2394 1 5 . 1 1 11 11 GLN H H 11 8.425 8.425 8.142 0.283 17762 2395 1 5 . 1 1 12 12 HIS N N 12 106.607 106.607 111.950 -5.343 17762 2396 1 5 . 1 1 12 12 HIS HA H 12 4.943 4.943 4.482 0.461 17762 2397 1 5 . 1 1 12 12 HIS CA C 12 52.272 52.272 55.132 -2.860 17762 2398 1 5 . 1 1 12 12 HIS CB C 12 27.680 27.680 32.604 -4.924 17762 2399 1 5 . 1 1 12 12 HIS H H 12 7.708 7.708 7.808 -0.100 17762 2400 1 5 . 1 1 13 13 MET N N 13 117.217 117.217 122.572 -5.355 17762 2401 1 5 . 1 1 13 13 MET HA H 13 5.460 5.460 4.657 0.803 17762 2402 1 5 . 1 1 13 13 MET CA C 13 50.516 50.516 53.201 -2.685 17762 2403 1 5 . 1 1 13 13 MET CB C 13 27.098 27.098 33.118 -6.020 17762 2404 1 5 . 1 1 13 13 MET H H 13 8.037 8.037 7.886 0.151 17762 2405 1 5 . 1 1 14 14 ASP N N 14 123.910 123.910 125.327 -1.417 17762 2406 1 5 . 1 1 14 14 ASP HA H 14 5.024 5.024 4.828 0.196 17762 2407 1 5 . 1 1 14 14 ASP CA C 14 51.101 51.101 52.169 -1.068 17762 2408 1 5 . 1 1 14 14 ASP CB C 14 37.636 37.636 43.162 -5.526 17762 2409 1 5 . 1 1 14 14 ASP H H 14 8.805 8.805 8.884 -0.079 17762 2410 1 5 . 1 1 15 15 SER N N 15 121.832 121.832 122.319 -0.487 17762 2411 1 5 . 1 1 15 15 SER HA H 15 4.202 4.202 4.599 -0.397 17762 2412 1 5 . 1 1 15 15 SER CA C 15 58.127 58.127 57.715 0.412 17762 2413 1 5 . 1 1 15 15 SER CB C 15 61.347 61.347 61.711 -0.364 17762 2414 1 5 . 1 1 15 15 SER H H 15 8.943 8.943 8.574 0.369 17762 2415 1 5 . 1 1 16 16 GLY N N 16 111.703 111.703 110.405 1.298 17762 2416 1 5 . 1 1 16 16 GLY CA C 16 42.905 42.905 44.913 -2.007 17762 2417 1 5 . 1 1 16 16 GLY H H 16 8.586 8.586 7.681 0.905 17762 2418 1 5 . 1 1 17 17 ASN N N 17 119.334 119.334 122.837 -3.503 17762 2419 1 5 . 1 1 17 17 ASN HA H 17 4.660 4.660 4.561 0.099 17762 2420 1 5 . 1 1 17 17 ASN CA C 17 50.223 50.223 54.081 -3.858 17762 2421 1 5 . 1 1 17 17 ASN CB C 17 37.346 37.346 38.741 -1.395 17762 2422 1 5 . 1 1 17 17 ASN H H 17 7.983 7.983 8.282 -0.299 17762 2423 1 5 . 1 1 18 18 SER N N 18 117.557 117.557 117.237 0.320 17762 2424 1 5 . 1 1 18 18 SER HA H 18 4.187 4.187 4.784 -0.597 17762 2425 1 5 . 1 1 18 18 SER CA C 18 53.443 53.443 56.314 -2.871 17762 2426 1 5 . 1 1 18 18 SER CB C 18 60.468 60.468 63.863 -3.395 17762 2427 1 5 . 1 1 18 18 SER H H 18 8.291 8.291 8.281 0.010 17762 2428 1 5 . 1 1 19 19 PRO HA H 19 4.204 4.204 4.566 -0.362 17762 2429 1 5 . 1 1 19 19 PRO CA C 19 60.468 60.468 63.054 -2.586 17762 2430 1 5 . 1 1 19 19 PRO CB C 19 29.147 29.147 32.136 -2.989 17762 2431 1 5 . 1 1 20 20 SER N N 20 115.589 115.589 116.502 -0.913 17762 2432 1 5 . 1 1 20 20 SER HA H 20 4.370 4.370 4.012 0.358 17762 2433 1 5 . 1 1 20 20 SER CA C 20 54.907 54.907 58.644 -3.737 17762 2434 1 5 . 1 1 20 20 SER CB C 20 61.347 61.347 62.148 -0.801 17762 2435 1 5 . 1 1 20 20 SER H H 20 8.118 8.118 8.698 -0.580 17762 2436 1 5 . 1 1 21 21 SER N N 21 118.787 118.787 116.699 2.088 17762 2437 1 5 . 1 1 21 21 SER HA H 21 4.398 4.398 4.065 0.333 17762 2438 1 5 . 1 1 21 21 SER CA C 21 56.370 56.370 58.715 -2.345 17762 2439 1 5 . 1 1 21 21 SER CB C 21 61.639 61.639 62.779 -1.140 17762 2440 1 5 . 1 1 21 21 SER H H 21 8.406 8.406 8.485 -0.079 17762 2441 1 5 . 1 1 22 22 SER N N 22 116.967 116.967 113.801 3.166 17762 2442 1 5 . 1 1 22 22 SER HA H 22 4.579 4.579 4.497 0.082 17762 2443 1 5 . 1 1 22 22 SER CA C 22 56.076 56.076 57.826 -1.750 17762 2444 1 5 . 1 1 22 22 SER CB C 22 61.054 61.054 63.358 -2.304 17762 2445 1 5 . 1 1 22 22 SER H H 22 8.278 8.278 8.053 0.225 17762 2446 1 5 . 1 1 23 23 SER N N 23 119.166 119.166 121.416 -2.250 17762 2447 1 5 . 1 1 23 23 SER HA H 23 4.520 4.520 4.114 0.406 17762 2448 1 5 . 1 1 23 23 SER CA C 23 57.956 57.956 60.396 -2.440 17762 2449 1 5 . 1 1 23 23 SER CB C 23 61.639 61.639 62.661 -1.022 17762 2450 1 5 . 1 1 23 23 SER H H 23 8.376 8.376 8.601 -0.225 17762 2451 1 5 . 1 1 24 24 ASN N N 24 120.511 120.511 122.387 -1.876 17762 2452 1 5 . 1 1 24 24 ASN HA H 24 4.940 4.940 4.263 0.677 17762 2453 1 5 . 1 1 24 24 ASN CA C 24 50.516 50.516 56.410 -5.894 17762 2454 1 5 . 1 1 24 24 ASN CB C 24 36.758 36.758 37.404 -0.646 17762 2455 1 5 . 1 1 24 24 ASN H H 24 8.483 8.483 8.193 0.290 17762 2456 1 5 . 1 1 25 25 TYR N N 25 121.549 121.549 118.991 2.558 17762 2457 1 5 . 1 1 25 25 TYR HA H 25 3.941 3.941 4.252 -0.311 17762 2458 1 5 . 1 1 25 25 TYR CA C 25 59.883 59.883 60.806 -0.923 17762 2459 1 5 . 1 1 25 25 TYR CB C 25 36.465 36.465 37.315 -0.850 17762 2460 1 5 . 1 1 25 25 TYR H H 25 7.765 7.765 7.457 0.308 17762 2461 1 5 . 1 1 26 26 CYS N N 26 115.301 115.301 118.351 -3.050 17762 2462 1 5 . 1 1 26 26 CYS HA H 26 3.784 3.784 3.540 0.244 17762 2463 1 5 . 1 1 26 26 CYS CA C 26 59.005 59.005 63.358 -4.353 17762 2464 1 5 . 1 1 26 26 CYS CB C 26 37.636 37.636 25.687 11.949 17762 2465 1 5 . 1 1 26 26 CYS H H 26 7.800 7.800 7.737 0.063 17762 2466 1 5 . 1 1 27 27 ASN N N 27 120.386 120.386 117.726 2.660 17762 2467 1 5 . 1 1 27 27 ASN HA H 27 4.376 4.376 4.521 -0.145 17762 2468 1 5 . 1 1 27 27 ASN CA C 27 53.736 53.736 56.768 -3.032 17762 2469 1 5 . 1 1 27 27 ASN CB C 27 34.416 34.416 38.428 -4.012 17762 2470 1 5 . 1 1 27 27 ASN H H 27 7.774 7.774 8.152 -0.378 17762 2471 1 5 . 1 1 28 28 LEU N N 28 120.114 120.114 122.614 -2.500 17762 2472 1 5 . 1 1 28 28 LEU HA H 28 4.085 4.085 4.083 0.002 17762 2473 1 5 . 1 1 28 28 LEU CA C 28 55.199 55.199 58.383 -3.184 17762 2474 1 5 . 1 1 28 28 LEU CB C 28 39.978 39.978 41.353 -1.375 17762 2475 1 5 . 1 1 28 28 LEU H H 28 7.434 7.434 8.694 -1.260 17762 2476 1 5 . 1 1 29 29 MET N N 29 118.101 118.101 118.532 -0.431 17762 2477 1 5 . 1 1 29 29 MET HA H 29 4.189 4.189 3.996 0.193 17762 2478 1 5 . 1 1 29 29 MET CA C 29 53.443 53.443 59.130 -5.687 17762 2479 1 5 . 1 1 29 29 MET CB C 29 28.269 28.269 32.376 -4.107 17762 2480 1 5 . 1 1 29 29 MET H H 29 8.474 8.474 8.585 -0.111 17762 2481 1 5 . 1 1 30 30 MET N N 30 116.980 116.980 118.944 -1.964 17762 2482 1 5 . 1 1 30 30 MET HA H 30 4.308 4.308 4.084 0.224 17762 2483 1 5 . 1 1 30 30 MET CA C 30 54.614 54.614 58.800 -4.186 17762 2484 1 5 . 1 1 30 30 MET CB C 30 27.098 27.098 31.301 -4.203 17762 2485 1 5 . 1 1 30 30 MET H H 30 8.672 8.672 7.931 0.741 17762 2486 1 5 . 1 1 31 31 CYS N N 31 116.217 116.217 118.463 -2.246 17762 2487 1 5 . 1 1 31 31 CYS HA H 31 4.713 4.713 4.127 0.586 17762 2488 1 5 . 1 1 31 31 CYS CA C 31 55.786 55.786 62.156 -6.370 17762 2489 1 5 . 1 1 31 31 CYS CB C 31 39.392 39.392 27.643 11.749 17762 2490 1 5 . 1 1 31 31 CYS H H 31 6.592 6.592 8.542 -1.950 17762 2491 1 5 . 1 1 32 32 CYS N N 32 124.056 124.056 118.386 5.670 17762 2492 1 5 . 1 1 32 32 CYS HA H 32 4.410 4.410 4.181 0.229 17762 2493 1 5 . 1 1 32 32 CYS CA C 32 56.078 56.078 61.211 -5.133 17762 2494 1 5 . 1 1 32 32 CYS CB C 32 37.343 37.343 28.265 9.078 17762 2495 1 5 . 1 1 32 32 CYS H H 32 9.448 9.448 8.281 1.167 17762 2496 1 5 . 1 1 33 33 ARG N N 33 116.829 116.829 118.208 -1.379 17762 2497 1 5 . 1 1 33 33 ARG HA H 33 4.467 4.467 4.331 0.136 17762 2498 1 5 . 1 1 33 33 ARG CA C 33 50.809 50.809 55.519 -4.710 17762 2499 1 5 . 1 1 33 33 ARG CB C 33 26.220 26.220 30.438 -4.218 17762 2500 1 5 . 1 1 33 33 ARG H H 33 8.099 8.099 8.257 -0.158 17762 2501 1 5 . 1 1 34 34 LYS N N 34 111.068 111.068 117.722 -6.654 17762 2502 1 5 . 1 1 34 34 LYS HA H 34 4.360 4.360 4.139 0.221 17762 2503 1 5 . 1 1 34 34 LYS CA C 34 54.321 54.321 57.010 -2.689 17762 2504 1 5 . 1 1 34 34 LYS CB C 34 25.634 25.634 30.223 -4.589 17762 2505 1 5 . 1 1 34 34 LYS H H 34 7.690 7.690 7.977 -0.287 17762 2506 1 5 . 1 1 35 35 MET N N 35 116.639 116.639 114.905 1.734 17762 2507 1 5 . 1 1 35 35 MET HA H 35 4.749 4.749 4.377 0.372 17762 2508 1 5 . 1 1 35 35 MET CA C 35 53.443 53.443 56.977 -3.534 17762 2509 1 5 . 1 1 35 35 MET CB C 35 30.903 30.903 32.771 -1.868 17762 2510 1 5 . 1 1 35 35 MET H H 35 8.195 8.195 8.281 -0.086 17762 2511 1 5 . 1 1 36 36 THR N N 36 107.641 107.641 112.407 -4.766 17762 2512 1 5 . 1 1 36 36 THR HA H 36 5.292 5.292 4.667 0.625 17762 2513 1 5 . 1 1 36 36 THR CA C 36 58.127 58.127 62.351 -4.224 17762 2514 1 5 . 1 1 36 36 THR CB C 36 66.030 66.030 67.224 -1.194 17762 2515 1 5 . 1 1 36 36 THR H H 36 7.562 7.562 8.046 -0.484 17762 2516 1 5 . 1 1 37 37 GLN N N 37 121.079 121.079 122.977 -1.898 17762 2517 1 5 . 1 1 37 37 GLN HA H 37 4.554 4.554 4.503 0.051 17762 2518 1 5 . 1 1 37 37 GLN CA C 37 52.858 52.858 57.545 -4.688 17762 2519 1 5 . 1 1 37 37 GLN CB C 37 26.220 26.220 29.283 -3.063 17762 2520 1 5 . 1 1 37 37 GLN H H 37 7.334 7.334 8.225 -0.891 17762 2521 1 5 . 1 1 38 38 GLY N N 38 118.390 118.390 106.475 11.915 17762 2522 1 5 . 1 1 38 38 GLY CA C 38 43.783 43.783 44.970 -1.187 17762 2523 1 5 . 1 1 38 38 GLY H H 38 8.345 8.345 8.600 -0.255 17762 2524 1 5 . 1 1 39 39 LYS N N 39 116.961 116.961 116.629 0.332 17762 2525 1 5 . 1 1 39 39 LYS HA H 39 3.555 3.555 4.383 -0.828 17762 2526 1 5 . 1 1 39 39 LYS CA C 39 52.272 52.272 55.141 -2.869 17762 2527 1 5 . 1 1 39 39 LYS CB C 39 31.196 31.196 33.593 -2.397 17762 2528 1 5 . 1 1 39 39 LYS H H 39 7.222 7.222 7.657 -0.435 17762 2529 1 5 . 1 1 40 40 CYS N N 40 119.480 119.480 118.860 0.620 17762 2530 1 5 . 1 1 40 40 CYS HA H 40 4.787 4.787 4.665 0.122 17762 2531 1 5 . 1 1 40 40 CYS CA C 40 50.809 50.809 57.586 -6.777 17762 2532 1 5 . 1 1 40 40 CYS CB C 40 34.101 34.101 29.311 4.790 17762 2533 1 5 . 1 1 40 40 CYS H H 40 8.891 8.891 8.615 0.276 17762 2534 1 5 . 1 1 41 41 LYS N N 41 130.320 130.320 126.928 3.392 17762 2535 1 5 . 1 1 41 41 LYS HA H 41 4.550 4.550 4.690 -0.140 17762 2536 1 5 . 1 1 41 41 LYS CA C 41 53.443 53.443 54.663 -1.220 17762 2537 1 5 . 1 1 41 41 LYS CB C 41 31.489 31.489 33.261 -1.772 17762 2538 1 5 . 1 1 41 41 LYS H H 41 7.902 7.902 8.543 -0.641 17762 2539 1 5 . 1 1 42 42 PRO HA H 42 4.600 4.600 4.331 0.269 17762 2540 1 5 . 1 1 42 42 PRO CA C 42 63.981 63.981 64.306 -0.325 17762 2541 1 5 . 1 1 42 42 PRO CB C 42 29.732 29.732 32.332 -2.600 17762 2542 1 5 . 1 1 43 43 VAL N N 43 111.738 111.738 112.566 -0.828 17762 2543 1 5 . 1 1 43 43 VAL HA H 43 5.302 5.302 4.995 0.307 17762 2544 1 5 . 1 1 43 43 VAL CA C 43 56.663 56.663 58.749 -2.087 17762 2545 1 5 . 1 1 43 43 VAL CB C 43 32.952 32.952 35.145 -2.192 17762 2546 1 5 . 1 1 43 43 VAL H H 43 6.967 6.967 7.368 -0.401 17762 2547 1 5 . 1 1 44 44 ASN N N 44 120.558 120.558 124.517 -3.959 17762 2548 1 5 . 1 1 44 44 ASN HA H 44 4.770 4.770 5.090 -0.320 17762 2549 1 5 . 1 1 44 44 ASN CA C 44 51.687 51.687 53.042 -1.355 17762 2550 1 5 . 1 1 44 44 ASN CB C 44 41.734 41.734 42.569 -0.835 17762 2551 1 5 . 1 1 44 44 ASN H H 44 8.741 8.741 9.421 -0.680 17762 2552 1 5 . 1 1 45 45 THR N N 45 120.658 120.658 119.559 1.099 17762 2553 1 5 . 1 1 45 45 THR HA H 45 5.142 5.142 4.706 0.436 17762 2554 1 5 . 1 1 45 45 THR CA C 45 59.005 59.005 62.008 -3.003 17762 2555 1 5 . 1 1 45 45 THR CB C 45 68.079 68.079 69.091 -1.012 17762 2556 1 5 . 1 1 45 45 THR H H 45 6.938 6.938 8.232 -1.294 17762 2557 1 5 . 1 1 46 46 PHE N N 46 125.168 125.168 127.596 -2.428 17762 2558 1 5 . 1 1 46 46 PHE HA H 46 4.916 4.916 4.611 0.305 17762 2559 1 5 . 1 1 46 46 PHE CA C 46 54.321 54.321 55.279 -0.958 17762 2560 1 5 . 1 1 46 46 PHE CB C 46 26.692 26.692 37.736 -11.044 17762 2561 1 5 . 1 1 46 46 PHE H H 46 9.318 9.318 9.370 -0.052 17762 2562 1 5 . 1 1 47 47 VAL N N 47 121.430 121.430 123.423 -1.993 17762 2563 1 5 . 1 1 47 47 VAL HA H 47 4.212 4.212 3.931 0.281 17762 2564 1 5 . 1 1 47 47 VAL CA C 47 59.280 59.280 63.337 -4.058 17762 2565 1 5 . 1 1 47 47 VAL CB C 47 30.025 30.025 32.420 -2.395 17762 2566 1 5 . 1 1 47 47 VAL H H 47 9.333 9.333 8.869 0.464 17762 2567 1 5 . 1 1 48 48 HIS N N 48 125.243 125.243 127.110 -1.867 17762 2568 1 5 . 1 1 48 48 HIS HA H 48 5.314 5.314 5.201 0.113 17762 2569 1 5 . 1 1 48 48 HIS CA C 48 51.979 51.979 54.831 -2.852 17762 2570 1 5 . 1 1 48 48 HIS CB C 48 25.634 25.634 31.571 -5.937 17762 2571 1 5 . 1 1 48 48 HIS H H 48 8.772 8.772 8.262 0.510 17762 2572 1 5 . 1 1 49 49 GLU N N 49 117.070 117.070 125.597 -8.527 17762 2573 1 5 . 1 1 49 49 GLU HA H 49 4.763 4.763 4.404 0.359 17762 2574 1 5 . 1 1 49 49 GLU CA C 49 51.101 51.101 55.180 -4.079 17762 2575 1 5 . 1 1 49 49 GLU CB C 49 28.269 28.269 33.089 -4.819 17762 2576 1 5 . 1 1 49 49 GLU H H 49 6.558 6.558 7.761 -1.203 17762 2577 1 5 . 1 1 50 50 SER N N 50 117.468 117.468 116.211 1.257 17762 2578 1 5 . 1 1 50 50 SER HA H 50 4.240 4.240 4.766 -0.526 17762 2579 1 5 . 1 1 50 50 SER CA C 50 55.199 55.199 55.817 -0.618 17762 2580 1 5 . 1 1 50 50 SER CB C 50 61.932 61.932 64.015 -2.083 17762 2581 1 5 . 1 1 50 50 SER H H 50 9.589 9.589 8.419 1.170 17762 2582 1 5 . 1 1 51 51 LEU N N 51 124.046 124.046 129.696 -5.650 17762 2583 1 5 . 1 1 51 51 LEU HA H 51 4.088 4.088 4.256 -0.168 17762 2584 1 5 . 1 1 51 51 LEU CA C 51 55.785 55.785 58.019 -2.234 17762 2585 1 5 . 1 1 51 51 LEU CB C 51 38.514 38.514 42.151 -3.637 17762 2586 1 5 . 1 1 51 51 LEU H H 51 8.783 8.783 9.015 -0.232 17762 2587 1 5 . 1 1 52 52 ALA N N 52 120.494 120.494 119.594 0.900 17762 2588 1 5 . 1 1 52 52 ALA HA H 52 3.959 3.959 3.890 0.069 17762 2589 1 5 . 1 1 52 52 ALA CA C 52 52.858 52.858 55.165 -2.307 17762 2590 1 5 . 1 1 52 52 ALA CB C 52 15.682 15.682 17.944 -2.262 17762 2591 1 5 . 1 1 52 52 ALA H H 52 8.462 8.462 8.273 0.189 17762 2592 1 5 . 1 1 53 53 ASP N N 53 120.265 120.265 118.932 1.333 17762 2593 1 5 . 1 1 53 53 ASP HA H 53 4.372 4.372 4.566 -0.194 17762 2594 1 5 . 1 1 53 53 ASP CA C 53 54.907 54.907 56.745 -1.838 17762 2595 1 5 . 1 1 53 53 ASP CB C 53 37.050 37.050 40.995 -3.945 17762 2596 1 5 . 1 1 53 53 ASP H H 53 7.835 7.835 7.658 0.177 17762 2597 1 5 . 1 1 54 54 VAL N N 54 121.771 121.771 120.717 1.054 17762 2598 1 5 . 1 1 54 54 VAL HA H 54 3.703 3.703 3.590 0.113 17762 2599 1 5 . 1 1 54 54 VAL CA C 54 64.274 64.274 67.056 -2.782 17762 2600 1 5 . 1 1 54 54 VAL CB C 54 29.147 29.147 31.521 -2.374 17762 2601 1 5 . 1 1 54 54 VAL H H 54 7.879 7.879 8.541 -0.662 17762 2602 1 5 . 1 1 55 55 LYS N N 55 119.973 119.973 119.472 0.501 17762 2603 1 5 . 1 1 55 55 LYS HA H 55 3.641 3.641 3.950 -0.309 17762 2604 1 5 . 1 1 55 55 LYS CA C 55 57.839 57.839 59.935 -2.096 17762 2605 1 5 . 1 1 55 55 LYS CB C 55 29.732 29.732 32.188 -2.456 17762 2606 1 5 . 1 1 55 55 LYS H H 55 9.000 9.000 8.287 0.713 17762 2607 1 5 . 1 1 56 56 ALA N N 56 120.213 120.213 122.389 -2.176 17762 2608 1 5 . 1 1 56 56 ALA HA H 56 4.015 4.015 4.043 -0.028 17762 2609 1 5 . 1 1 56 56 ALA CA C 56 51.394 51.394 54.882 -3.488 17762 2610 1 5 . 1 1 56 56 ALA CB C 56 14.803 14.803 18.469 -3.666 17762 2611 1 5 . 1 1 56 56 ALA H H 56 7.534 7.534 7.906 -0.372 17762 2612 1 5 . 1 1 57 57 VAL N N 57 121.006 121.006 117.196 3.810 17762 2613 1 5 . 1 1 57 57 VAL HA H 57 3.203 3.203 3.695 -0.492 17762 2614 1 5 . 1 1 57 57 VAL CA C 57 63.396 63.396 66.043 -2.647 17762 2615 1 5 . 1 1 57 57 VAL CB C 57 28.561 28.561 31.456 -2.895 17762 2616 1 5 . 1 1 57 57 VAL H H 57 7.575 7.575 8.117 -0.542 17762 2617 1 5 . 1 1 58 58 CYS N N 58 113.037 113.037 117.968 -4.931 17762 2618 1 5 . 1 1 58 58 CYS HA H 58 3.520 3.520 3.994 -0.474 17762 2619 1 5 . 1 1 58 58 CYS CA C 58 51.979 51.979 60.816 -8.837 17762 2620 1 5 . 1 1 58 58 CYS CB C 58 36.465 36.465 26.088 10.377 17762 2621 1 5 . 1 1 58 58 CYS H H 58 6.809 6.809 7.871 -1.062 17762 2622 1 5 . 1 1 59 59 SER N N 59 113.164 113.164 116.384 -3.220 17762 2623 1 5 . 1 1 59 59 SER HA H 59 4.569 4.569 4.183 0.386 17762 2624 1 5 . 1 1 59 59 SER CA C 59 55.785 55.785 59.264 -3.479 17762 2625 1 5 . 1 1 59 59 SER CB C 59 61.054 61.054 61.026 0.028 17762 2626 1 5 . 1 1 59 59 SER H H 59 7.480 7.480 7.947 -0.467 17762 2627 1 5 . 1 1 60 60 GLN N N 60 124.351 124.351 120.633 3.718 17762 2628 1 5 . 1 1 60 60 GLN HA H 60 4.599 4.599 4.622 -0.023 17762 2629 1 5 . 1 1 60 60 GLN CA C 60 52.565 52.565 55.882 -3.317 17762 2630 1 5 . 1 1 60 60 GLN CB C 60 22.414 22.414 31.391 -8.977 17762 2631 1 5 . 1 1 60 60 GLN H H 60 7.702 7.702 7.822 -0.120 17762 2632 1 5 . 1 1 61 61 LYS N N 61 122.353 122.353 122.132 0.221 17762 2633 1 5 . 1 1 61 61 LYS HA H 61 4.261 4.261 4.576 -0.315 17762 2634 1 5 . 1 1 61 61 LYS CA C 61 54.614 54.614 55.095 -0.481 17762 2635 1 5 . 1 1 61 61 LYS CB C 61 31.489 31.489 33.308 -1.819 17762 2636 1 5 . 1 1 61 61 LYS H H 61 7.540 7.540 8.458 -0.918 17762 2637 1 5 . 1 1 62 62 LYS N N 62 129.878 129.878 126.948 2.930 17762 2638 1 5 . 1 1 62 62 LYS HA H 62 4.050 4.050 3.224 0.826 17762 2639 1 5 . 1 1 62 62 LYS CA C 62 54.907 54.907 56.576 -1.669 17762 2640 1 5 . 1 1 62 62 LYS CB C 62 30.318 30.318 32.027 -1.709 17762 2641 1 5 . 1 1 62 62 LYS H H 62 8.408 8.408 8.403 0.005 17762 2642 1 5 . 1 1 63 63 VAL N N 63 121.631 121.631 123.677 -2.046 17762 2643 1 5 . 1 1 63 63 VAL HA H 63 4.516 4.516 4.464 0.052 17762 2644 1 5 . 1 1 63 63 VAL CA C 63 56.663 56.663 59.217 -2.554 17762 2645 1 5 . 1 1 63 63 VAL CB C 63 33.538 33.538 34.658 -1.120 17762 2646 1 5 . 1 1 63 63 VAL H H 63 8.317 8.317 8.432 -0.115 17762 2647 1 5 . 1 1 64 64 THR N N 64 116.885 116.885 118.039 -1.154 17762 2648 1 5 . 1 1 64 64 THR HA H 64 4.296 4.296 4.281 0.015 17762 2649 1 5 . 1 1 64 64 THR CA C 64 60.468 60.468 62.792 -2.324 17762 2650 1 5 . 1 1 64 64 THR CB C 64 67.201 67.201 68.817 -1.615 17762 2651 1 5 . 1 1 64 64 THR H H 64 7.965 7.965 8.070 -0.105 17762 2652 1 5 . 1 1 65 65 CYS N N 65 124.789 124.789 125.799 -1.010 17762 2653 1 5 . 1 1 65 65 CYS HA H 65 4.407 4.407 4.370 0.037 17762 2654 1 5 . 1 1 65 65 CYS CA C 65 51.101 51.101 58.482 -7.381 17762 2655 1 5 . 1 1 65 65 CYS CB C 65 36.465 36.465 28.135 8.330 17762 2656 1 5 . 1 1 65 65 CYS H H 65 8.790 8.790 8.726 0.064 17762 2657 1 5 . 1 1 66 66 LYS N N 66 128.070 128.070 123.484 4.586 17762 2658 1 5 . 1 1 66 66 LYS HA H 66 3.993 3.993 4.127 -0.134 17762 2659 1 5 . 1 1 66 66 LYS CA C 66 56.663 56.663 57.434 -0.771 17762 2660 1 5 . 1 1 66 66 LYS CB C 66 28.854 28.854 30.404 -1.550 17762 2661 1 5 . 1 1 66 66 LYS H H 66 10.959 10.959 8.736 2.223 17762 2662 1 5 . 1 1 67 67 ASP N N 67 117.000 117.000 119.302 -2.302 17762 2663 1 5 . 1 1 67 67 ASP HA H 67 4.459 4.459 4.575 -0.116 17762 2664 1 5 . 1 1 67 67 ASP CA C 67 50.809 50.809 54.913 -4.104 17762 2665 1 5 . 1 1 67 67 ASP CB C 67 37.636 37.636 40.980 -3.344 17762 2666 1 5 . 1 1 67 67 ASP H H 67 8.021 8.021 8.491 -0.470 17762 2667 1 5 . 1 1 68 68 GLY N N 68 108.831 108.831 108.616 0.215 17762 2668 1 5 . 1 1 68 68 GLY CA C 68 42.612 42.612 45.194 -2.582 17762 2669 1 5 . 1 1 68 68 GLY H H 68 8.029 8.029 8.160 -0.131 17762 2670 1 5 . 1 1 69 69 GLN N N 69 120.061 120.061 120.125 -0.064 17762 2671 1 5 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.255 0.102 17762 2672 1 5 . 1 1 69 69 GLN CA C 69 54.264 54.264 56.912 -2.648 17762 2673 1 5 . 1 1 69 69 GLN CB C 69 27.683 27.683 29.681 -1.998 17762 2674 1 5 . 1 1 69 69 GLN H H 69 8.115 8.115 9.212 -1.097 17762 2675 1 5 . 1 1 70 70 THR N N 70 112.531 112.531 114.887 -2.356 17762 2676 1 5 . 1 1 70 70 THR HA H 70 4.475 4.475 4.360 0.115 17762 2677 1 5 . 1 1 70 70 THR CA C 70 58.712 58.712 61.770 -3.058 17762 2678 1 5 . 1 1 70 70 THR CB C 70 67.201 67.201 69.460 -2.259 17762 2679 1 5 . 1 1 70 70 THR H H 70 8.553 8.553 7.824 0.729 17762 2680 1 5 . 1 1 71 71 ASN N N 71 119.619 119.619 121.817 -2.198 17762 2681 1 5 . 1 1 71 71 ASN HA H 71 4.847 4.847 4.818 0.029 17762 2682 1 5 . 1 1 71 71 ASN CA C 71 50.516 50.516 51.928 -1.412 17762 2683 1 5 . 1 1 71 71 ASN CB C 71 35.587 35.587 38.083 -2.495 17762 2684 1 5 . 1 1 71 71 ASN H H 71 8.219 8.219 8.628 -0.409 17762 2685 1 5 . 1 1 72 72 CYS N N 72 118.100 118.100 119.036 -0.936 17762 2686 1 5 . 1 1 72 72 CYS HA H 72 5.424 5.424 5.365 0.059 17762 2687 1 5 . 1 1 72 72 CYS CA C 72 56.956 56.956 55.997 0.959 17762 2688 1 5 . 1 1 72 72 CYS CB C 72 43.198 43.198 29.070 14.128 17762 2689 1 5 . 1 1 72 72 CYS H H 72 7.477 7.477 7.602 -0.125 17762 2690 1 5 . 1 1 73 73 TYR N N 73 119.843 119.843 118.642 1.201 17762 2691 1 5 . 1 1 73 73 TYR HA H 73 5.121 5.121 5.031 0.090 17762 2692 1 5 . 1 1 73 73 TYR CA C 73 55.199 55.199 57.115 -1.916 17762 2693 1 5 . 1 1 73 73 TYR CB C 73 41.441 41.441 42.498 -1.056 17762 2694 1 5 . 1 1 73 73 TYR H H 73 8.983 8.983 9.271 -0.288 17762 2695 1 5 . 1 1 74 74 GLN N N 74 123.174 123.174 123.326 -0.152 17762 2696 1 5 . 1 1 74 74 GLN HA H 74 5.408 5.408 5.003 0.405 17762 2697 1 5 . 1 1 74 74 GLN CA C 74 49.930 49.930 54.137 -4.207 17762 2698 1 5 . 1 1 74 74 GLN H H 74 9.477 9.477 9.125 0.352 17762 2699 1 5 . 1 1 75 75 SER N N 75 122.742 122.742 122.693 0.049 17762 2700 1 5 . 1 1 75 75 SER HA H 75 4.679 4.679 4.482 0.197 17762 2701 1 5 . 1 1 75 75 SER CA C 75 55.764 55.764 59.043 -3.279 17762 2702 1 5 . 1 1 75 75 SER CB C 75 62.424 62.424 64.108 -1.684 17762 2703 1 5 . 1 1 75 75 SER H H 75 9.286 9.286 8.778 0.508 17762 2704 1 5 . 1 1 76 76 LYS N N 76 127.293 127.293 121.832 5.461 17762 2705 1 5 . 1 1 76 76 LYS HA H 76 4.202 4.202 4.029 0.173 17762 2706 1 5 . 1 1 76 76 LYS CA C 76 56.370 56.370 58.444 -2.074 17762 2707 1 5 . 1 1 76 76 LYS CB C 76 30.318 30.318 32.471 -2.153 17762 2708 1 5 . 1 1 76 76 LYS H H 76 8.938 8.938 8.781 0.157 17762 2709 1 5 . 1 1 77 77 SER N N 77 114.297 114.297 110.512 3.785 17762 2710 1 5 . 1 1 77 77 SER HA H 77 4.888 4.888 4.771 0.117 17762 2711 1 5 . 1 1 77 77 SER CA C 77 53.736 53.736 56.535 -2.799 17762 2712 1 5 . 1 1 77 77 SER CB C 77 62.810 62.810 65.900 -3.090 17762 2713 1 5 . 1 1 77 77 SER H H 77 8.592 8.592 7.722 0.870 17762 2714 1 5 . 1 1 78 78 THR N N 78 113.859 113.859 113.846 0.013 17762 2715 1 5 . 1 1 78 78 THR HA H 78 3.254 3.254 4.137 -0.883 17762 2716 1 5 . 1 1 78 78 THR CA C 78 59.883 59.883 63.377 -3.494 17762 2717 1 5 . 1 1 78 78 THR CB C 78 66.908 66.908 68.992 -2.084 17762 2718 1 5 . 1 1 78 78 THR H H 78 8.134 8.134 8.341 -0.207 17762 2719 1 5 . 1 1 79 79 MET N N 79 121.299 121.299 123.200 -1.901 17762 2720 1 5 . 1 1 79 79 MET HA H 79 4.643 4.643 4.685 -0.042 17762 2721 1 5 . 1 1 79 79 MET CA C 79 52.858 52.858 54.531 -1.673 17762 2722 1 5 . 1 1 79 79 MET CB C 79 34.416 34.416 37.365 -2.950 17762 2723 1 5 . 1 1 79 79 MET H H 79 8.508 8.508 8.939 -0.431 17762 2724 1 5 . 1 1 80 80 ARG N N 80 122.767 122.767 122.395 0.372 17762 2725 1 5 . 1 1 80 80 ARG HA H 80 4.376 4.376 4.632 -0.256 17762 2726 1 5 . 1 1 80 80 ARG CA C 80 54.907 54.907 56.061 -1.154 17762 2727 1 5 . 1 1 80 80 ARG CB C 80 27.391 27.391 30.511 -3.120 17762 2728 1 5 . 1 1 80 80 ARG H H 80 9.508 9.508 8.783 0.725 17762 2729 1 5 . 1 1 81 81 ILE N N 81 120.594 120.594 121.490 -0.896 17762 2730 1 5 . 1 1 81 81 ILE HA H 81 5.284 5.284 4.881 0.403 17762 2731 1 5 . 1 1 81 81 ILE CA C 81 56.663 56.663 59.442 -2.779 17762 2732 1 5 . 1 1 81 81 ILE CB C 81 39.978 39.978 41.549 -1.571 17762 2733 1 5 . 1 1 81 81 ILE H H 81 8.645 8.645 9.053 -0.408 17762 2734 1 5 . 1 1 82 82 THR N N 82 119.200 119.200 121.294 -2.094 17762 2735 1 5 . 1 1 82 82 THR HA H 82 5.020 5.020 4.484 0.536 17762 2736 1 5 . 1 1 82 82 THR CA C 82 60.176 60.176 62.333 -2.156 17762 2737 1 5 . 1 1 82 82 THR CB C 82 68.372 68.372 68.212 0.160 17762 2738 1 5 . 1 1 82 82 THR H H 82 9.256 9.256 9.023 0.233 17762 2739 1 5 . 1 1 83 83 ASP N N 83 127.841 127.841 128.054 -0.213 17762 2740 1 5 . 1 1 83 83 ASP HA H 83 5.029 5.029 4.592 0.437 17762 2741 1 5 . 1 1 83 83 ASP CA C 83 51.101 51.101 55.873 -4.772 17762 2742 1 5 . 1 1 83 83 ASP CB C 83 40.563 40.563 42.496 -1.933 17762 2743 1 5 . 1 1 83 83 ASP H H 83 9.241 9.241 8.820 0.421 17762 2744 1 5 . 1 1 84 84 CYS N N 84 122.123 122.123 124.044 -1.921 17762 2745 1 5 . 1 1 84 84 CYS HA H 84 5.940 5.940 4.991 0.949 17762 2746 1 5 . 1 1 84 84 CYS CA C 84 49.345 49.345 57.250 -7.905 17762 2747 1 5 . 1 1 84 84 CYS CB C 84 36.465 36.465 29.461 7.004 17762 2748 1 5 . 1 1 84 84 CYS H H 84 8.808 8.808 9.024 -0.216 17762 2749 1 5 . 1 1 85 85 ARG N N 85 122.200 122.200 127.090 -4.890 17762 2750 1 5 . 1 1 85 85 ARG HA H 85 5.412 5.412 5.614 -0.202 17762 2751 1 5 . 1 1 85 85 ARG CA C 85 52.272 52.272 53.929 -1.657 17762 2752 1 5 . 1 1 85 85 ARG CB C 85 30.903 30.903 35.671 -4.768 17762 2753 1 5 . 1 1 85 85 ARG H H 85 8.204 8.204 9.289 -1.085 17762 2754 1 5 . 1 1 86 86 GLU N N 86 128.674 128.674 123.457 5.217 17762 2755 1 5 . 1 1 86 86 GLU HA H 86 4.288 4.288 4.670 -0.382 17762 2756 1 5 . 1 1 86 86 GLU CA C 86 55.199 55.199 56.395 -1.196 17762 2757 1 5 . 1 1 86 86 GLU CB C 86 29.732 29.732 30.410 -0.678 17762 2758 1 5 . 1 1 86 86 GLU H H 86 8.762 8.762 8.582 0.180 17762 2759 1 5 . 1 1 87 87 THR N N 87 115.660 115.660 116.254 -0.594 17762 2760 1 5 . 1 1 87 87 THR HA H 87 4.507 4.507 4.496 0.011 17762 2761 1 5 . 1 1 87 87 THR CA C 87 58.127 58.127 60.088 -1.961 17762 2762 1 5 . 1 1 87 87 THR CB C 87 68.665 68.665 70.640 -1.975 17762 2763 1 5 . 1 1 87 87 THR H H 87 8.118 8.118 8.862 -0.744 17762 2764 1 5 . 1 1 88 88 GLY N N 88 107.768 107.768 108.778 -1.010 17762 2765 1 5 . 1 1 88 88 GLY CA C 88 43.490 43.490 46.093 -2.603 17762 2766 1 5 . 1 1 88 88 GLY H H 88 8.774 8.774 8.223 0.551 17762 2767 1 5 . 1 1 89 89 SER N N 89 112.931 112.931 113.675 -0.744 17762 2768 1 5 . 1 1 89 89 SER HA H 89 4.503 4.503 4.187 0.316 17762 2769 1 5 . 1 1 89 89 SER CA C 89 55.199 55.199 58.116 -2.917 17762 2770 1 5 . 1 1 89 89 SER CB C 89 61.054 61.054 62.741 -1.687 17762 2771 1 5 . 1 1 89 89 SER H H 89 7.597 7.597 8.362 -0.765 17762 2772 1 5 . 1 1 90 90 SER N N 90 118.245 118.245 117.784 0.461 17762 2773 1 5 . 1 1 90 90 SER HA H 90 3.943 3.943 4.455 -0.512 17762 2774 1 5 . 1 1 90 90 SER CA C 90 56.370 56.370 57.932 -1.562 17762 2775 1 5 . 1 1 90 90 SER CB C 90 60.468 60.468 62.818 -2.350 17762 2776 1 5 . 1 1 90 90 SER H H 90 6.989 6.989 8.493 -1.504 17762 2777 1 5 . 1 1 91 91 LYS N N 91 129.777 129.777 123.511 6.266 17762 2778 1 5 . 1 1 91 91 LYS HA H 91 4.431 4.431 4.177 0.254 17762 2779 1 5 . 1 1 91 91 LYS CA C 91 53.443 53.443 57.129 -3.686 17762 2780 1 5 . 1 1 91 91 LYS CB C 91 31.489 31.489 33.247 -1.758 17762 2781 1 5 . 1 1 91 91 LYS H H 91 7.527 7.527 8.267 -0.740 17762 2782 1 5 . 1 1 92 92 TYR N N 92 131.912 131.912 120.648 11.264 17762 2783 1 5 . 1 1 92 92 TYR HA H 92 3.718 3.718 4.790 -1.072 17762 2784 1 5 . 1 1 92 92 TYR CA C 92 56.078 56.078 54.886 1.192 17762 2785 1 5 . 1 1 92 92 TYR CB C 92 35.880 35.880 39.716 -3.836 17762 2786 1 5 . 1 1 92 92 TYR H H 92 9.290 9.290 8.232 1.058 17762 2787 1 5 . 1 1 93 93 PRO HA H 93 3.028 3.028 4.067 -1.039 17762 2788 1 5 . 1 1 93 93 PRO CA C 93 61.347 61.347 62.864 -1.517 17762 2789 1 5 . 1 1 93 93 PRO CB C 93 31.196 31.196 32.067 -0.871 17762 2790 1 5 . 1 1 94 94 ASN N N 94 130.934 130.934 119.069 11.865 17762 2791 1 5 . 1 1 94 94 ASN HA H 94 4.943 4.943 4.629 0.314 17762 2792 1 5 . 1 1 94 94 ASN CA C 94 49.630 49.630 53.641 -4.011 17762 2793 1 5 . 1 1 94 94 ASN CB C 94 35.001 35.001 37.058 -2.057 17762 2794 1 5 . 1 1 94 94 ASN H H 94 8.823 8.823 8.283 0.540 17762 2795 1 5 . 1 1 95 95 CYS N N 95 122.402 122.402 121.458 0.944 17762 2796 1 5 . 1 1 95 95 CYS HA H 95 4.840 4.840 4.554 0.286 17762 2797 1 5 . 1 1 95 95 CYS CA C 95 50.516 50.516 58.466 -7.950 17762 2798 1 5 . 1 1 95 95 CYS CB C 95 35.880 35.880 26.223 9.657 17762 2799 1 5 . 1 1 95 95 CYS H H 95 7.687 7.687 8.206 -0.519 17762 2800 1 5 . 1 1 96 96 ALA N N 96 129.346 129.346 132.677 -3.331 17762 2801 1 5 . 1 1 96 96 ALA HA H 96 4.746 4.746 4.340 0.406 17762 2802 1 5 . 1 1 96 96 ALA CA C 96 49.052 49.052 51.334 -2.282 17762 2803 1 5 . 1 1 96 96 ALA CB C 96 19.194 19.194 17.738 1.456 17762 2804 1 5 . 1 1 96 96 ALA H H 96 8.634 8.634 8.612 0.022 17762 2805 1 5 . 1 1 97 97 TYR N N 97 118.353 118.353 122.201 -3.848 17762 2806 1 5 . 1 1 97 97 TYR HA H 97 4.904 4.904 5.274 -0.370 17762 2807 1 5 . 1 1 97 97 TYR CA C 97 55.785 55.785 58.260 -2.475 17762 2808 1 5 . 1 1 97 97 TYR CB C 97 41.441 41.441 40.428 1.013 17762 2809 1 5 . 1 1 97 97 TYR H H 97 9.368 9.368 8.216 1.152 17762 2810 1 5 . 1 1 98 98 LYS N N 98 125.559 125.559 123.016 2.543 17762 2811 1 5 . 1 1 98 98 LYS HA H 98 4.743 4.743 4.634 0.109 17762 2812 1 5 . 1 1 98 98 LYS CA C 98 52.565 52.565 54.239 -1.674 17762 2813 1 5 . 1 1 98 98 LYS CB C 98 31.489 31.489 36.124 -4.635 17762 2814 1 5 . 1 1 98 98 LYS H H 98 9.427 9.427 9.275 0.152 17762 2815 1 5 . 1 1 99 99 THR N N 99 126.667 126.667 123.051 3.616 17762 2816 1 5 . 1 1 99 99 THR HA H 99 5.243 5.243 4.786 0.457 17762 2817 1 5 . 1 1 99 99 THR CA C 99 60.176 60.176 62.778 -2.602 17762 2818 1 5 . 1 1 99 99 THR CB C 99 68.665 68.665 69.859 -1.194 17762 2819 1 5 . 1 1 99 99 THR H H 99 9.055 9.055 8.465 0.590 17762 2820 1 5 . 1 1 100 100 THR N N 100 124.517 124.517 123.378 1.139 17762 2821 1 5 . 1 1 100 100 THR HA H 100 4.637 4.637 4.492 0.145 17762 2822 1 5 . 1 1 100 100 THR CA C 100 59.883 59.883 61.490 -1.607 17762 2823 1 5 . 1 1 100 100 THR CB C 100 68.372 68.372 69.540 -1.168 17762 2824 1 5 . 1 1 100 100 THR H H 100 8.855 8.855 8.900 -0.045 17762 2825 1 5 . 1 1 101 101 GLN N N 101 128.586 128.586 128.870 -0.284 17762 2826 1 5 . 1 1 101 101 GLN HA H 101 5.180 5.180 4.861 0.319 17762 2827 1 5 . 1 1 101 101 GLN CA C 101 53.150 53.150 55.637 -2.487 17762 2828 1 5 . 1 1 101 101 GLN CB C 101 27.098 27.098 29.012 -1.915 17762 2829 1 5 . 1 1 101 101 GLN H H 101 8.823 8.823 8.781 0.042 17762 2830 1 5 . 1 1 102 102 VAL N N 102 121.495 121.495 122.343 -0.848 17762 2831 1 5 . 1 1 102 102 VAL HA H 102 4.639 4.639 4.614 0.025 17762 2832 1 5 . 1 1 102 102 VAL CA C 102 57.834 57.834 59.903 -2.069 17762 2833 1 5 . 1 1 102 102 VAL CB C 102 34.123 34.123 35.990 -1.867 17762 2834 1 5 . 1 1 102 102 VAL H H 102 8.643 8.643 9.030 -0.387 17762 2835 1 5 . 1 1 103 103 GLU N N 103 122.031 122.031 122.206 -0.175 17762 2836 1 5 . 1 1 103 103 GLU HA H 103 5.400 5.400 4.976 0.424 17762 2837 1 5 . 1 1 103 103 GLU CA C 103 52.565 52.565 54.861 -2.296 17762 2838 1 5 . 1 1 103 103 GLU CB C 103 28.269 28.269 28.531 -0.262 17762 2839 1 5 . 1 1 103 103 GLU H H 103 8.068 8.068 8.554 -0.486 17762 2840 1 5 . 1 1 104 104 LYS N N 104 122.283 122.283 123.994 -1.711 17762 2841 1 5 . 1 1 104 104 LYS HA H 104 4.795 4.795 4.686 0.109 17762 2842 1 5 . 1 1 104 104 LYS CA C 104 51.979 51.979 53.980 -2.001 17762 2843 1 5 . 1 1 104 104 LYS CB C 104 37.050 37.050 37.069 -0.019 17762 2844 1 5 . 1 1 104 104 LYS H H 104 8.336 8.336 8.851 -0.515 17762 2845 1 5 . 1 1 105 105 HIS N N 105 119.366 119.366 119.761 -0.395 17762 2846 1 5 . 1 1 105 105 HIS HA H 105 4.407 4.407 4.842 -0.435 17762 2847 1 5 . 1 1 105 105 HIS CA C 105 54.321 54.321 57.490 -3.169 17762 2848 1 5 . 1 1 105 105 HIS CB C 105 25.341 25.341 29.858 -4.517 17762 2849 1 5 . 1 1 105 105 HIS H H 105 9.202 9.202 8.567 0.635 17762 2850 1 5 . 1 1 106 106 ILE N N 106 114.175 114.175 117.868 -3.693 17762 2851 1 5 . 1 1 106 106 ILE HA H 106 4.997 4.997 4.569 0.428 17762 2852 1 5 . 1 1 106 106 ILE CA C 106 57.541 57.541 60.818 -3.277 17762 2853 1 5 . 1 1 106 106 ILE CB C 106 38.807 38.807 39.545 -0.738 17762 2854 1 5 . 1 1 106 106 ILE H H 106 8.447 8.447 8.942 -0.495 17762 2855 1 5 . 1 1 107 107 ILE N N 107 122.400 122.400 125.045 -2.645 17762 2856 1 5 . 1 1 107 107 ILE HA H 107 5.296 5.296 5.183 0.113 17762 2857 1 5 . 1 1 107 107 ILE CA C 107 57.541 57.541 58.448 -0.907 17762 2858 1 5 . 1 1 107 107 ILE CB C 107 36.758 36.758 38.056 -1.298 17762 2859 1 5 . 1 1 107 107 ILE H H 107 8.314 8.314 9.001 -0.687 17762 2860 1 5 . 1 1 108 108 VAL N N 108 118.187 118.187 122.627 -4.440 17762 2861 1 5 . 1 1 108 108 VAL HA H 108 4.888 4.888 4.648 0.240 17762 2862 1 5 . 1 1 108 108 VAL CA C 108 55.199 55.199 58.929 -3.731 17762 2863 1 5 . 1 1 108 108 VAL CB C 108 32.074 32.074 35.273 -3.199 17762 2864 1 5 . 1 1 108 108 VAL H H 108 8.907 8.907 9.165 -0.258 17762 2865 1 5 . 1 1 109 109 ALA N N 109 122.660 122.660 125.480 -2.820 17762 2866 1 5 . 1 1 109 109 ALA HA H 109 5.296 5.296 4.465 0.831 17762 2867 1 5 . 1 1 109 109 ALA CA C 109 48.174 48.174 50.938 -2.764 17762 2868 1 5 . 1 1 109 109 ALA CB C 109 19.194 19.194 18.901 0.293 17762 2869 1 5 . 1 1 109 109 ALA H H 109 8.706 8.706 8.605 0.101 17762 2870 1 5 . 1 1 110 110 CYS N N 110 120.404 120.404 124.539 -4.135 17762 2871 1 5 . 1 1 110 110 CYS HA H 110 5.680 5.680 5.200 0.480 17762 2872 1 5 . 1 1 110 110 CYS CA C 110 53.443 53.443 57.721 -4.278 17762 2873 1 5 . 1 1 110 110 CYS CB C 110 47.003 47.003 28.246 18.757 17762 2874 1 5 . 1 1 110 110 CYS H H 110 8.797 8.797 7.988 0.809 17762 2875 1 5 . 1 1 111 111 GLY N N 111 111.123 111.123 112.821 -1.698 17762 2876 1 5 . 1 1 111 111 GLY CA C 111 42.905 42.905 45.561 -2.656 17762 2877 1 5 . 1 1 111 111 GLY H H 111 9.107 9.107 8.737 0.370 17762 2878 1 5 . 1 1 112 112 GLY N N 112 107.554 107.554 106.694 0.860 17762 2879 1 5 . 1 1 112 112 GLY CA C 112 40.856 40.856 45.192 -4.336 17762 2880 1 5 . 1 1 112 112 GLY H H 112 8.206 8.206 8.157 0.049 17762 2881 1 5 . 1 1 113 113 LYS N N 113 118.578 118.578 119.579 -1.001 17762 2882 1 5 . 1 1 113 113 LYS HA H 113 4.384 4.384 4.102 0.282 17762 2883 1 5 . 1 1 113 113 LYS CA C 113 51.100 51.100 55.848 -4.748 17762 2884 1 5 . 1 1 113 113 LYS CB C 113 32.367 32.367 31.851 0.516 17762 2885 1 5 . 1 1 113 113 LYS H H 113 7.774 7.774 8.076 -0.302 17762 2886 1 5 . 1 1 114 114 PRO HA H 114 4.615 4.615 4.443 0.172 17762 2887 1 5 . 1 1 114 114 PRO C C 114 3.597 3.597 175.988 -172.391 17762 2888 1 5 . 1 1 114 114 PRO CA C 114 60.448 60.448 61.953 -1.505 17762 2889 1 5 . 1 1 114 114 PRO CB C 114 31.781 31.781 32.846 -1.065 17762 2890 1 5 . 1 1 115 115 SER N N 115 116.201 116.201 115.581 0.620 17762 2891 1 5 . 1 1 115 115 SER HA H 115 3.954 3.954 4.385 -0.431 17762 2892 1 5 . 1 1 115 115 SER CA C 115 56.078 56.078 58.479 -2.401 17762 2893 1 5 . 1 1 115 115 SER CB C 115 60.761 60.761 62.267 -1.506 17762 2894 1 5 . 1 1 115 115 SER H H 115 8.201 8.201 8.386 -0.185 17762 2895 1 5 . 1 1 116 116 VAL N N 116 120.540 120.540 117.227 3.313 17762 2896 1 5 . 1 1 116 116 VAL HA H 116 4.858 4.858 4.746 0.112 17762 2897 1 5 . 1 1 116 116 VAL CA C 116 56.078 56.078 57.588 -1.510 17762 2898 1 5 . 1 1 116 116 VAL CB C 116 31.196 31.196 33.744 -2.548 17762 2899 1 5 . 1 1 116 116 VAL H H 116 8.511 8.511 8.739 -0.228 17762 2900 1 5 . 1 1 117 117 PRO HA H 117 4.508 4.508 4.849 -0.341 17762 2901 1 5 . 1 1 117 117 PRO CA C 117 60.468 60.468 62.549 -2.081 17762 2902 1 5 . 1 1 117 117 PRO CB C 117 27.391 27.391 32.400 -5.009 17762 2903 1 5 . 1 1 118 118 VAL N N 118 111.972 111.972 114.235 -2.263 17762 2904 1 5 . 1 1 118 118 VAL HA H 118 4.532 4.532 4.245 0.287 17762 2905 1 5 . 1 1 118 118 VAL CA C 118 58.419 58.419 61.329 -2.910 17762 2906 1 5 . 1 1 118 118 VAL CB C 118 31.781 31.781 33.245 -1.464 17762 2907 1 5 . 1 1 118 118 VAL H H 118 8.927 8.927 8.552 0.375 17762 2908 1 5 . 1 1 119 119 HIS N N 119 121.264 121.264 116.880 4.384 17762 2909 1 5 . 1 1 119 119 HIS HA H 119 5.324 5.324 4.277 1.047 17762 2910 1 5 . 1 1 119 119 HIS CA C 119 53.443 53.443 54.327 -0.884 17762 2911 1 5 . 1 1 119 119 HIS CB C 119 30.025 30.025 33.961 -3.936 17762 2912 1 5 . 1 1 119 119 HIS H H 119 7.616 7.616 6.755 0.861 17762 2913 1 5 . 1 1 120 120 PHE HA H 120 4.283 4.283 4.603 -0.320 17762 2914 1 5 . 1 1 120 120 PHE CA C 120 55.785 55.785 57.277 -1.492 17762 2915 1 5 . 1 1 120 120 PHE CB C 120 36.172 36.172 40.703 -4.532 17762 2916 1 5 . 1 1 121 121 ASP N N 121 131.399 131.399 126.550 4.849 17762 2917 1 5 . 1 1 121 121 ASP HA H 121 4.668 4.668 4.503 0.165 17762 2918 1 5 . 1 1 121 121 ASP CA C 121 54.614 54.614 54.344 0.270 17762 2919 1 5 . 1 1 121 121 ASP CB C 121 44.076 44.076 43.739 0.337 17762 2920 1 5 . 1 1 121 121 ASP H H 121 8.644 8.644 8.100 0.544 17762 2921 1 5 . 1 1 122 122 ALA N N 122 116.961 116.961 118.035 -1.074 17762 2922 1 5 . 1 1 122 122 ALA HA H 122 4.491 4.491 4.332 0.159 17762 2923 1 5 . 1 1 122 122 ALA CA C 122 49.345 49.345 51.666 -2.321 17762 2924 1 5 . 1 1 122 122 ALA CB C 122 19.194 19.194 21.120 -1.926 17762 2925 1 5 . 1 1 122 122 ALA H H 122 7.419 7.419 7.021 0.398 17762 2926 1 5 . 1 1 123 123 SER N N 123 112.579 112.579 115.477 -2.898 17762 2927 1 5 . 1 1 123 123 SER HA H 123 5.325 5.325 5.587 -0.262 17762 2928 1 5 . 1 1 123 123 SER CA C 123 54.321 54.321 57.545 -3.224 17762 2929 1 5 . 1 1 123 123 SER CB C 123 63.981 63.981 66.136 -2.155 17762 2930 1 5 . 1 1 123 123 SER H H 123 8.092 8.092 8.603 -0.511 17762 2931 1 6 . 1 1 2 2 GLU N N 2 126.119 126.119 125.595 0.524 17762 2932 1 6 . 1 1 2 2 GLU HA H 2 4.370 4.370 4.406 -0.036 17762 2933 1 6 . 1 1 2 2 GLU CA C 2 53.440 53.440 56.008 -2.568 17762 2934 1 6 . 1 1 2 2 GLU CB C 2 29.147 29.147 29.623 -0.476 17762 2935 1 6 . 1 1 2 2 GLU H H 2 8.448 8.448 8.790 -0.342 17762 2936 1 6 . 1 1 3 3 SER N N 3 124.530 124.530 121.908 2.622 17762 2937 1 6 . 1 1 3 3 SER HA H 3 4.500 4.500 4.390 0.110 17762 2938 1 6 . 1 1 3 3 SER CA C 3 54.907 54.907 58.249 -3.342 17762 2939 1 6 . 1 1 3 3 SER CB C 3 62.511 62.511 61.462 1.049 17762 2940 1 6 . 1 1 3 3 SER H H 3 8.755 8.755 8.504 0.251 17762 2941 1 6 . 1 1 4 4 ALA N N 4 125.341 125.341 125.533 -0.192 17762 2942 1 6 . 1 1 4 4 ALA HA H 4 4.216 4.216 3.836 0.380 17762 2943 1 6 . 1 1 4 4 ALA CA C 4 52.858 52.858 54.731 -1.873 17762 2944 1 6 . 1 1 4 4 ALA CB C 4 15.389 15.389 17.107 -1.718 17762 2945 1 6 . 1 1 4 4 ALA H H 4 8.961 8.961 8.359 0.602 17762 2946 1 6 . 1 1 5 5 ALA N N 5 121.896 121.896 123.026 -1.130 17762 2947 1 6 . 1 1 5 5 ALA HA H 5 4.375 4.375 4.225 0.150 17762 2948 1 6 . 1 1 5 5 ALA CA C 5 52.565 52.565 55.524 -2.959 17762 2949 1 6 . 1 1 5 5 ALA CB C 5 15.974 15.974 18.670 -2.696 17762 2950 1 6 . 1 1 5 5 ALA H H 5 8.659 8.659 8.290 0.369 17762 2951 1 6 . 1 1 6 6 ALA N N 6 123.734 123.734 120.095 3.639 17762 2952 1 6 . 1 1 6 6 ALA HA H 6 4.216 4.216 4.259 -0.043 17762 2953 1 6 . 1 1 6 6 ALA CA C 6 52.272 52.272 55.078 -2.806 17762 2954 1 6 . 1 1 6 6 ALA CB C 6 15.389 15.389 18.252 -2.863 17762 2955 1 6 . 1 1 6 6 ALA H H 6 8.009 8.009 8.478 -0.469 17762 2956 1 6 . 1 1 7 7 LYS N N 7 123.118 123.118 119.476 3.642 17762 2957 1 6 . 1 1 7 7 LYS HA H 7 4.025 4.025 4.122 -0.097 17762 2958 1 6 . 1 1 7 7 LYS CA C 7 57.834 57.834 58.790 -0.956 17762 2959 1 6 . 1 1 7 7 LYS CB C 7 29.732 29.732 32.639 -2.908 17762 2960 1 6 . 1 1 7 7 LYS H H 7 8.737 8.737 7.768 0.969 17762 2961 1 6 . 1 1 8 8 PHE N N 8 120.604 120.604 121.368 -0.764 17762 2962 1 6 . 1 1 8 8 PHE HA H 8 4.388 4.388 4.109 0.279 17762 2963 1 6 . 1 1 8 8 PHE CA C 8 59.298 59.298 61.234 -1.936 17762 2964 1 6 . 1 1 8 8 PHE CB C 8 36.465 36.465 38.659 -2.194 17762 2965 1 6 . 1 1 8 8 PHE H H 8 8.058 8.058 8.672 -0.614 17762 2966 1 6 . 1 1 9 9 GLU N N 9 119.978 119.978 120.085 -0.107 17762 2967 1 6 . 1 1 9 9 GLU HA H 9 3.742 3.742 3.461 0.281 17762 2968 1 6 . 1 1 9 9 GLU CA C 9 58.127 58.127 59.760 -1.633 17762 2969 1 6 . 1 1 9 9 GLU CB C 9 35.001 35.001 29.375 5.626 17762 2970 1 6 . 1 1 9 9 GLU H H 9 7.922 7.922 8.564 -0.642 17762 2971 1 6 . 1 1 10 10 ARG N N 10 120.914 120.914 116.166 4.748 17762 2972 1 6 . 1 1 10 10 ARG HA H 10 4.197 4.197 3.940 0.257 17762 2973 1 6 . 1 1 10 10 ARG CA C 10 56.663 56.663 57.986 -1.323 17762 2974 1 6 . 1 1 10 10 ARG CB C 10 27.683 27.683 29.893 -2.210 17762 2975 1 6 . 1 1 10 10 ARG H H 10 8.323 8.323 8.118 0.205 17762 2976 1 6 . 1 1 11 11 GLN N N 11 112.201 112.201 114.031 -1.830 17762 2977 1 6 . 1 1 11 11 GLN HA H 11 3.787 3.787 4.014 -0.227 17762 2978 1 6 . 1 1 11 11 GLN CA C 11 55.492 55.492 57.877 -2.385 17762 2979 1 6 . 1 1 11 11 GLN CB C 11 26.805 26.805 29.631 -2.826 17762 2980 1 6 . 1 1 11 11 GLN H H 11 8.425 8.425 7.836 0.589 17762 2981 1 6 . 1 1 12 12 HIS N N 12 106.607 106.607 113.036 -6.429 17762 2982 1 6 . 1 1 12 12 HIS HA H 12 4.943 4.943 4.490 0.453 17762 2983 1 6 . 1 1 12 12 HIS CA C 12 52.272 52.272 55.425 -3.153 17762 2984 1 6 . 1 1 12 12 HIS CB C 12 27.680 27.680 31.957 -4.277 17762 2985 1 6 . 1 1 12 12 HIS H H 12 7.708 7.708 7.765 -0.057 17762 2986 1 6 . 1 1 13 13 MET N N 13 117.217 117.217 121.479 -4.262 17762 2987 1 6 . 1 1 13 13 MET HA H 13 5.460 5.460 3.852 1.608 17762 2988 1 6 . 1 1 13 13 MET CA C 13 50.516 50.516 53.779 -3.263 17762 2989 1 6 . 1 1 13 13 MET CB C 13 27.098 27.098 29.441 -2.343 17762 2990 1 6 . 1 1 13 13 MET H H 13 8.037 8.037 7.496 0.541 17762 2991 1 6 . 1 1 14 14 ASP N N 14 123.910 123.910 124.006 -0.096 17762 2992 1 6 . 1 1 14 14 ASP HA H 14 5.024 5.024 4.187 0.837 17762 2993 1 6 . 1 1 14 14 ASP CA C 14 51.101 51.101 56.106 -5.005 17762 2994 1 6 . 1 1 14 14 ASP CB C 14 37.636 37.636 41.638 -4.002 17762 2995 1 6 . 1 1 14 14 ASP H H 14 8.805 8.805 8.187 0.618 17762 2996 1 6 . 1 1 15 15 SER N N 15 121.832 121.832 110.554 11.278 17762 2997 1 6 . 1 1 15 15 SER HA H 15 4.202 4.202 3.903 0.299 17762 2998 1 6 . 1 1 15 15 SER CA C 15 58.127 58.127 58.728 -0.601 17762 2999 1 6 . 1 1 15 15 SER CB C 15 61.347 61.347 63.001 -1.653 17762 3000 1 6 . 1 1 15 15 SER H H 15 8.943 8.943 7.958 0.985 17762 3001 1 6 . 1 1 16 16 GLY N N 16 111.703 111.703 107.952 3.751 17762 3002 1 6 . 1 1 16 16 GLY CA C 16 42.905 42.905 44.351 -1.446 17762 3003 1 6 . 1 1 16 16 GLY H H 16 8.586 8.586 8.175 0.411 17762 3004 1 6 . 1 1 17 17 ASN N N 17 119.334 119.334 118.669 0.665 17762 3005 1 6 . 1 1 17 17 ASN HA H 17 4.660 4.660 4.693 -0.033 17762 3006 1 6 . 1 1 17 17 ASN CA C 17 50.223 50.223 53.535 -3.312 17762 3007 1 6 . 1 1 17 17 ASN CB C 17 37.346 37.346 39.702 -2.356 17762 3008 1 6 . 1 1 17 17 ASN H H 17 7.983 7.983 8.477 -0.494 17762 3009 1 6 . 1 1 18 18 SER N N 18 117.557 117.557 116.755 0.802 17762 3010 1 6 . 1 1 18 18 SER HA H 18 4.187 4.187 4.292 -0.105 17762 3011 1 6 . 1 1 18 18 SER CA C 18 53.443 53.443 58.396 -4.953 17762 3012 1 6 . 1 1 18 18 SER CB C 18 60.468 60.468 62.738 -2.270 17762 3013 1 6 . 1 1 18 18 SER H H 18 8.291 8.291 8.709 -0.418 17762 3014 1 6 . 1 1 19 19 PRO HA H 19 4.204 4.204 4.350 -0.146 17762 3015 1 6 . 1 1 19 19 PRO CA C 19 60.468 60.468 61.966 -1.498 17762 3016 1 6 . 1 1 19 19 PRO CB C 19 29.147 29.147 31.864 -2.717 17762 3017 1 6 . 1 1 20 20 SER N N 20 115.589 115.589 117.255 -1.666 17762 3018 1 6 . 1 1 20 20 SER HA H 20 4.370 4.370 4.346 0.024 17762 3019 1 6 . 1 1 20 20 SER CA C 20 54.907 54.907 59.190 -4.283 17762 3020 1 6 . 1 1 20 20 SER CB C 20 61.347 61.347 63.276 -1.929 17762 3021 1 6 . 1 1 20 20 SER H H 20 8.118 8.118 8.507 -0.389 17762 3022 1 6 . 1 1 21 21 SER N N 21 118.787 118.787 118.257 0.530 17762 3023 1 6 . 1 1 21 21 SER HA H 21 4.398 4.398 4.516 -0.118 17762 3024 1 6 . 1 1 21 21 SER CA C 21 56.370 56.370 59.109 -2.739 17762 3025 1 6 . 1 1 21 21 SER CB C 21 61.639 61.639 64.408 -2.769 17762 3026 1 6 . 1 1 21 21 SER H H 21 8.406 8.406 8.993 -0.587 17762 3027 1 6 . 1 1 22 22 SER N N 22 116.967 116.967 114.221 2.746 17762 3028 1 6 . 1 1 22 22 SER HA H 22 4.579 4.579 4.552 0.027 17762 3029 1 6 . 1 1 22 22 SER CA C 22 56.076 56.076 58.687 -2.611 17762 3030 1 6 . 1 1 22 22 SER CB C 22 61.054 61.054 63.084 -2.030 17762 3031 1 6 . 1 1 22 22 SER H H 22 8.278 8.278 8.318 -0.040 17762 3032 1 6 . 1 1 23 23 SER N N 23 119.166 119.166 121.388 -2.222 17762 3033 1 6 . 1 1 23 23 SER HA H 23 4.520 4.520 4.116 0.404 17762 3034 1 6 . 1 1 23 23 SER CA C 23 57.956 57.956 60.960 -3.004 17762 3035 1 6 . 1 1 23 23 SER CB C 23 61.639 61.639 62.532 -0.893 17762 3036 1 6 . 1 1 23 23 SER H H 23 8.376 8.376 8.571 -0.195 17762 3037 1 6 . 1 1 24 24 ASN N N 24 120.511 120.511 121.685 -1.174 17762 3038 1 6 . 1 1 24 24 ASN HA H 24 4.940 4.940 4.199 0.741 17762 3039 1 6 . 1 1 24 24 ASN CA C 24 50.516 50.516 56.048 -5.532 17762 3040 1 6 . 1 1 24 24 ASN CB C 24 36.758 36.758 37.535 -0.777 17762 3041 1 6 . 1 1 24 24 ASN H H 24 8.483 8.483 8.272 0.211 17762 3042 1 6 . 1 1 25 25 TYR N N 25 121.549 121.549 118.742 2.807 17762 3043 1 6 . 1 1 25 25 TYR HA H 25 3.941 3.941 4.365 -0.424 17762 3044 1 6 . 1 1 25 25 TYR CA C 25 59.883 59.883 60.512 -0.629 17762 3045 1 6 . 1 1 25 25 TYR CB C 25 36.465 36.465 36.720 -0.255 17762 3046 1 6 . 1 1 25 25 TYR H H 25 7.765 7.765 6.414 1.351 17762 3047 1 6 . 1 1 26 26 CYS N N 26 115.301 115.301 119.215 -3.914 17762 3048 1 6 . 1 1 26 26 CYS HA H 26 3.784 3.784 3.742 0.042 17762 3049 1 6 . 1 1 26 26 CYS CA C 26 59.005 59.005 62.725 -3.720 17762 3050 1 6 . 1 1 26 26 CYS CB C 26 37.636 37.636 25.725 11.911 17762 3051 1 6 . 1 1 26 26 CYS H H 26 7.800 7.800 7.770 0.030 17762 3052 1 6 . 1 1 27 27 ASN N N 27 120.386 120.386 117.913 2.473 17762 3053 1 6 . 1 1 27 27 ASN HA H 27 4.376 4.376 4.535 -0.159 17762 3054 1 6 . 1 1 27 27 ASN CA C 27 53.736 53.736 56.435 -2.699 17762 3055 1 6 . 1 1 27 27 ASN CB C 27 34.416 34.416 38.504 -4.088 17762 3056 1 6 . 1 1 27 27 ASN H H 27 7.774 7.774 8.371 -0.597 17762 3057 1 6 . 1 1 28 28 LEU N N 28 120.114 120.114 122.962 -2.848 17762 3058 1 6 . 1 1 28 28 LEU HA H 28 4.085 4.085 4.026 0.059 17762 3059 1 6 . 1 1 28 28 LEU CA C 28 55.199 55.199 58.400 -3.200 17762 3060 1 6 . 1 1 28 28 LEU CB C 28 39.978 39.978 41.784 -1.806 17762 3061 1 6 . 1 1 28 28 LEU H H 28 7.434 7.434 8.597 -1.163 17762 3062 1 6 . 1 1 29 29 MET N N 29 118.101 118.101 118.338 -0.237 17762 3063 1 6 . 1 1 29 29 MET HA H 29 4.189 4.189 3.899 0.290 17762 3064 1 6 . 1 1 29 29 MET CA C 29 53.443 53.443 59.395 -5.952 17762 3065 1 6 . 1 1 29 29 MET CB C 29 28.269 28.269 32.470 -4.201 17762 3066 1 6 . 1 1 29 29 MET H H 29 8.474 8.474 8.618 -0.144 17762 3067 1 6 . 1 1 30 30 MET N N 30 116.980 116.980 118.178 -1.198 17762 3068 1 6 . 1 1 30 30 MET HA H 30 4.308 4.308 4.022 0.286 17762 3069 1 6 . 1 1 30 30 MET CA C 30 54.614 54.614 58.389 -3.775 17762 3070 1 6 . 1 1 30 30 MET CB C 30 27.098 27.098 31.010 -3.912 17762 3071 1 6 . 1 1 30 30 MET H H 30 8.672 8.672 7.830 0.842 17762 3072 1 6 . 1 1 31 31 CYS N N 31 116.217 116.217 119.743 -3.526 17762 3073 1 6 . 1 1 31 31 CYS HA H 31 4.713 4.713 4.107 0.606 17762 3074 1 6 . 1 1 31 31 CYS CA C 31 55.786 55.786 62.842 -7.056 17762 3075 1 6 . 1 1 31 31 CYS CB C 31 39.392 39.392 27.667 11.725 17762 3076 1 6 . 1 1 31 31 CYS H H 31 6.592 6.592 8.754 -2.162 17762 3077 1 6 . 1 1 32 32 CYS N N 32 124.056 124.056 120.117 3.939 17762 3078 1 6 . 1 1 32 32 CYS HA H 32 4.410 4.410 4.049 0.361 17762 3079 1 6 . 1 1 32 32 CYS CA C 32 56.078 56.078 62.285 -6.207 17762 3080 1 6 . 1 1 32 32 CYS CB C 32 37.343 37.343 27.997 9.347 17762 3081 1 6 . 1 1 32 32 CYS H H 32 9.448 9.448 8.693 0.755 17762 3082 1 6 . 1 1 33 33 ARG N N 33 116.829 116.829 117.863 -1.034 17762 3083 1 6 . 1 1 33 33 ARG HA H 33 4.467 4.467 4.466 0.001 17762 3084 1 6 . 1 1 33 33 ARG CA C 33 50.809 50.809 54.280 -3.471 17762 3085 1 6 . 1 1 33 33 ARG CB C 33 26.220 26.220 29.850 -3.630 17762 3086 1 6 . 1 1 33 33 ARG H H 33 8.099 8.099 8.168 -0.069 17762 3087 1 6 . 1 1 34 34 LYS N N 34 111.068 111.068 119.533 -8.465 17762 3088 1 6 . 1 1 34 34 LYS HA H 34 4.360 4.360 4.128 0.233 17762 3089 1 6 . 1 1 34 34 LYS CA C 34 54.321 54.321 57.218 -2.897 17762 3090 1 6 . 1 1 34 34 LYS CB C 34 25.634 25.634 30.241 -4.607 17762 3091 1 6 . 1 1 34 34 LYS H H 34 7.690 7.690 7.944 -0.254 17762 3092 1 6 . 1 1 35 35 MET N N 35 116.639 116.639 115.754 0.885 17762 3093 1 6 . 1 1 35 35 MET HA H 35 4.749 4.749 4.351 0.398 17762 3094 1 6 . 1 1 35 35 MET CA C 35 53.443 53.443 58.307 -4.864 17762 3095 1 6 . 1 1 35 35 MET CB C 35 30.903 30.903 32.875 -1.972 17762 3096 1 6 . 1 1 35 35 MET H H 35 8.195 8.195 8.354 -0.159 17762 3097 1 6 . 1 1 36 36 THR N N 36 107.641 107.641 112.240 -4.599 17762 3098 1 6 . 1 1 36 36 THR HA H 36 5.292 5.292 4.529 0.763 17762 3099 1 6 . 1 1 36 36 THR CA C 36 58.127 58.127 61.244 -3.117 17762 3100 1 6 . 1 1 36 36 THR CB C 36 66.030 66.030 67.170 -1.140 17762 3101 1 6 . 1 1 36 36 THR H H 36 7.562 7.562 8.190 -0.628 17762 3102 1 6 . 1 1 37 37 GLN N N 37 121.079 121.079 121.742 -0.663 17762 3103 1 6 . 1 1 37 37 GLN HA H 37 4.554 4.554 4.241 0.313 17762 3104 1 6 . 1 1 37 37 GLN CA C 37 52.858 52.858 56.407 -3.549 17762 3105 1 6 . 1 1 37 37 GLN CB C 37 26.220 26.220 27.659 -1.439 17762 3106 1 6 . 1 1 37 37 GLN H H 37 7.334 7.334 8.029 -0.695 17762 3107 1 6 . 1 1 38 38 GLY N N 38 118.390 118.390 114.352 4.038 17762 3108 1 6 . 1 1 38 38 GLY CA C 38 43.783 43.783 46.066 -2.283 17762 3109 1 6 . 1 1 38 38 GLY H H 38 8.345 8.345 8.696 -0.351 17762 3110 1 6 . 1 1 39 39 LYS N N 39 116.961 116.961 116.864 0.097 17762 3111 1 6 . 1 1 39 39 LYS HA H 39 3.555 3.555 3.572 -0.017 17762 3112 1 6 . 1 1 39 39 LYS CA C 39 52.272 52.272 54.722 -2.450 17762 3113 1 6 . 1 1 39 39 LYS CB C 39 31.196 31.196 34.451 -3.255 17762 3114 1 6 . 1 1 39 39 LYS H H 39 7.222 7.222 7.826 -0.604 17762 3115 1 6 . 1 1 40 40 CYS N N 40 119.480 119.480 120.279 -0.799 17762 3116 1 6 . 1 1 40 40 CYS HA H 40 4.787 4.787 4.581 0.206 17762 3117 1 6 . 1 1 40 40 CYS CA C 40 50.809 50.809 58.509 -7.700 17762 3118 1 6 . 1 1 40 40 CYS CB C 40 34.101 34.101 28.449 5.652 17762 3119 1 6 . 1 1 40 40 CYS H H 40 8.891 8.891 8.505 0.386 17762 3120 1 6 . 1 1 41 41 LYS N N 41 130.320 130.320 123.365 6.955 17762 3121 1 6 . 1 1 41 41 LYS HA H 41 4.550 4.550 4.777 -0.227 17762 3122 1 6 . 1 1 41 41 LYS CA C 41 53.443 53.443 53.398 0.045 17762 3123 1 6 . 1 1 41 41 LYS CB C 41 31.489 31.489 33.559 -2.070 17762 3124 1 6 . 1 1 41 41 LYS H H 41 7.902 7.902 8.323 -0.421 17762 3125 1 6 . 1 1 42 42 PRO HA H 42 4.600 4.600 4.349 0.251 17762 3126 1 6 . 1 1 42 42 PRO CA C 42 63.981 63.981 64.617 -0.636 17762 3127 1 6 . 1 1 42 42 PRO CB C 42 29.732 29.732 32.071 -2.339 17762 3128 1 6 . 1 1 43 43 VAL N N 43 111.738 111.738 112.324 -0.586 17762 3129 1 6 . 1 1 43 43 VAL HA H 43 5.302 5.302 5.084 0.218 17762 3130 1 6 . 1 1 43 43 VAL CA C 43 56.663 56.663 59.258 -2.595 17762 3131 1 6 . 1 1 43 43 VAL CB C 43 32.952 32.952 36.010 -3.058 17762 3132 1 6 . 1 1 43 43 VAL H H 43 6.967 6.967 7.501 -0.534 17762 3133 1 6 . 1 1 44 44 ASN N N 44 120.558 120.558 121.662 -1.104 17762 3134 1 6 . 1 1 44 44 ASN HA H 44 4.770 4.770 4.964 -0.194 17762 3135 1 6 . 1 1 44 44 ASN CA C 44 51.687 51.687 53.524 -1.837 17762 3136 1 6 . 1 1 44 44 ASN CB C 44 41.734 41.734 41.873 -0.139 17762 3137 1 6 . 1 1 44 44 ASN H H 44 8.741 8.741 9.103 -0.362 17762 3138 1 6 . 1 1 45 45 THR N N 45 120.658 120.658 122.658 -2.000 17762 3139 1 6 . 1 1 45 45 THR HA H 45 5.142 5.142 4.400 0.742 17762 3140 1 6 . 1 1 45 45 THR CA C 45 59.005 59.005 62.849 -3.844 17762 3141 1 6 . 1 1 45 45 THR CB C 45 68.079 68.079 68.198 -0.119 17762 3142 1 6 . 1 1 45 45 THR H H 45 6.938 6.938 8.274 -1.336 17762 3143 1 6 . 1 1 46 46 PHE N N 46 125.168 125.168 126.977 -1.809 17762 3144 1 6 . 1 1 46 46 PHE HA H 46 4.916 4.916 4.633 0.283 17762 3145 1 6 . 1 1 46 46 PHE CA C 46 54.321 54.321 55.383 -1.062 17762 3146 1 6 . 1 1 46 46 PHE CB C 46 26.692 26.692 39.799 -13.107 17762 3147 1 6 . 1 1 46 46 PHE H H 46 9.318 9.318 8.867 0.451 17762 3148 1 6 . 1 1 47 47 VAL N N 47 121.430 121.430 120.872 0.558 17762 3149 1 6 . 1 1 47 47 VAL HA H 47 4.212 4.212 4.227 -0.015 17762 3150 1 6 . 1 1 47 47 VAL CA C 47 59.280 59.280 62.070 -2.790 17762 3151 1 6 . 1 1 47 47 VAL CB C 47 30.025 30.025 32.933 -2.908 17762 3152 1 6 . 1 1 47 47 VAL H H 47 9.333 9.333 8.758 0.575 17762 3153 1 6 . 1 1 48 48 HIS N N 48 125.243 125.243 126.051 -0.808 17762 3154 1 6 . 1 1 48 48 HIS HA H 48 5.314 5.314 4.770 0.544 17762 3155 1 6 . 1 1 48 48 HIS CA C 48 51.979 51.979 55.451 -3.472 17762 3156 1 6 . 1 1 48 48 HIS CB C 48 25.634 25.634 30.692 -5.058 17762 3157 1 6 . 1 1 48 48 HIS H H 48 8.772 8.772 9.013 -0.241 17762 3158 1 6 . 1 1 49 49 GLU N N 49 117.070 117.070 122.096 -5.026 17762 3159 1 6 . 1 1 49 49 GLU HA H 49 4.763 4.763 4.538 0.225 17762 3160 1 6 . 1 1 49 49 GLU CA C 49 51.101 51.101 55.412 -4.311 17762 3161 1 6 . 1 1 49 49 GLU CB C 49 28.269 28.269 33.665 -5.396 17762 3162 1 6 . 1 1 49 49 GLU H H 49 6.558 6.558 7.820 -1.262 17762 3163 1 6 . 1 1 50 50 SER N N 50 117.468 117.468 117.507 -0.039 17762 3164 1 6 . 1 1 50 50 SER HA H 50 4.240 4.240 4.639 -0.399 17762 3165 1 6 . 1 1 50 50 SER CA C 50 55.199 55.199 58.011 -2.812 17762 3166 1 6 . 1 1 50 50 SER CB C 50 61.932 61.932 63.628 -1.696 17762 3167 1 6 . 1 1 50 50 SER H H 50 9.589 9.589 8.675 0.914 17762 3168 1 6 . 1 1 51 51 LEU N N 51 124.046 124.046 126.587 -2.541 17762 3169 1 6 . 1 1 51 51 LEU HA H 51 4.088 4.088 3.870 0.218 17762 3170 1 6 . 1 1 51 51 LEU CA C 51 55.785 55.785 58.449 -2.664 17762 3171 1 6 . 1 1 51 51 LEU CB C 51 38.514 38.514 41.843 -3.329 17762 3172 1 6 . 1 1 51 51 LEU H H 51 8.783 8.783 8.846 -0.063 17762 3173 1 6 . 1 1 52 52 ALA N N 52 120.494 120.494 118.625 1.869 17762 3174 1 6 . 1 1 52 52 ALA HA H 52 3.959 3.959 3.934 0.025 17762 3175 1 6 . 1 1 52 52 ALA CA C 52 52.858 52.858 54.865 -2.007 17762 3176 1 6 . 1 1 52 52 ALA CB C 52 15.682 15.682 17.955 -2.273 17762 3177 1 6 . 1 1 52 52 ALA H H 52 8.462 8.462 8.202 0.260 17762 3178 1 6 . 1 1 53 53 ASP N N 53 120.265 120.265 119.721 0.544 17762 3179 1 6 . 1 1 53 53 ASP HA H 53 4.372 4.372 4.391 -0.019 17762 3180 1 6 . 1 1 53 53 ASP CA C 53 54.907 54.907 57.840 -2.933 17762 3181 1 6 . 1 1 53 53 ASP CB C 53 37.050 37.050 40.728 -3.678 17762 3182 1 6 . 1 1 53 53 ASP H H 53 7.835 7.835 7.686 0.149 17762 3183 1 6 . 1 1 54 54 VAL N N 54 121.771 121.771 120.596 1.175 17762 3184 1 6 . 1 1 54 54 VAL HA H 54 3.703 3.703 3.649 0.054 17762 3185 1 6 . 1 1 54 54 VAL CA C 54 64.274 64.274 66.807 -2.533 17762 3186 1 6 . 1 1 54 54 VAL CB C 54 29.147 29.147 31.312 -2.165 17762 3187 1 6 . 1 1 54 54 VAL H H 54 7.879 7.879 7.855 0.024 17762 3188 1 6 . 1 1 55 55 LYS N N 55 119.973 119.973 119.450 0.523 17762 3189 1 6 . 1 1 55 55 LYS HA H 55 3.641 3.641 3.951 -0.310 17762 3190 1 6 . 1 1 55 55 LYS CA C 55 57.839 57.839 59.570 -1.731 17762 3191 1 6 . 1 1 55 55 LYS CB C 55 29.732 29.732 32.378 -2.646 17762 3192 1 6 . 1 1 55 55 LYS H H 55 9.000 9.000 8.233 0.767 17762 3193 1 6 . 1 1 56 56 ALA N N 56 120.213 120.213 121.764 -1.551 17762 3194 1 6 . 1 1 56 56 ALA HA H 56 4.015 4.015 4.059 -0.044 17762 3195 1 6 . 1 1 56 56 ALA CA C 56 51.394 51.394 54.770 -3.376 17762 3196 1 6 . 1 1 56 56 ALA CB C 56 14.803 14.803 18.548 -3.745 17762 3197 1 6 . 1 1 56 56 ALA H H 56 7.534 7.534 7.971 -0.437 17762 3198 1 6 . 1 1 57 57 VAL N N 57 121.006 121.006 119.939 1.067 17762 3199 1 6 . 1 1 57 57 VAL HA H 57 3.203 3.203 3.655 -0.452 17762 3200 1 6 . 1 1 57 57 VAL CA C 57 63.396 63.396 66.982 -3.586 17762 3201 1 6 . 1 1 57 57 VAL CB C 57 28.561 28.561 30.877 -2.316 17762 3202 1 6 . 1 1 57 57 VAL H H 57 7.575 7.575 8.632 -1.057 17762 3203 1 6 . 1 1 58 58 CYS N N 58 113.037 113.037 115.584 -2.547 17762 3204 1 6 . 1 1 58 58 CYS HA H 58 3.520 3.520 3.696 -0.176 17762 3205 1 6 . 1 1 58 58 CYS CA C 58 51.979 51.979 60.473 -8.494 17762 3206 1 6 . 1 1 58 58 CYS CB C 58 36.465 36.465 25.496 10.969 17762 3207 1 6 . 1 1 58 58 CYS H H 58 6.809 6.809 7.712 -0.903 17762 3208 1 6 . 1 1 59 59 SER N N 59 113.164 113.164 114.635 -1.471 17762 3209 1 6 . 1 1 59 59 SER HA H 59 4.569 4.569 4.441 0.128 17762 3210 1 6 . 1 1 59 59 SER CA C 59 55.785 55.785 58.807 -3.022 17762 3211 1 6 . 1 1 59 59 SER CB C 59 61.054 61.054 62.584 -1.530 17762 3212 1 6 . 1 1 59 59 SER H H 59 7.480 7.480 7.831 -0.351 17762 3213 1 6 . 1 1 60 60 GLN N N 60 124.351 124.351 121.343 3.008 17762 3214 1 6 . 1 1 60 60 GLN HA H 60 4.599 4.599 4.615 -0.016 17762 3215 1 6 . 1 1 60 60 GLN CA C 60 52.565 52.565 56.214 -3.649 17762 3216 1 6 . 1 1 60 60 GLN CB C 60 22.414 22.414 30.958 -8.544 17762 3217 1 6 . 1 1 60 60 GLN H H 60 7.702 7.702 7.924 -0.222 17762 3218 1 6 . 1 1 61 61 LYS N N 61 122.353 122.353 121.325 1.028 17762 3219 1 6 . 1 1 61 61 LYS HA H 61 4.261 4.261 4.475 -0.214 17762 3220 1 6 . 1 1 61 61 LYS CA C 61 54.614 54.614 54.801 -0.187 17762 3221 1 6 . 1 1 61 61 LYS CB C 61 31.489 31.489 33.135 -1.646 17762 3222 1 6 . 1 1 61 61 LYS H H 61 7.540 7.540 8.254 -0.714 17762 3223 1 6 . 1 1 62 62 LYS N N 62 129.878 129.878 127.111 2.767 17762 3224 1 6 . 1 1 62 62 LYS HA H 62 4.050 4.050 3.298 0.752 17762 3225 1 6 . 1 1 62 62 LYS CA C 62 54.907 54.907 56.342 -1.435 17762 3226 1 6 . 1 1 62 62 LYS CB C 62 30.318 30.318 31.597 -1.279 17762 3227 1 6 . 1 1 62 62 LYS H H 62 8.408 8.408 8.332 0.076 17762 3228 1 6 . 1 1 63 63 VAL N N 63 121.631 121.631 124.219 -2.588 17762 3229 1 6 . 1 1 63 63 VAL HA H 63 4.516 4.516 4.542 -0.026 17762 3230 1 6 . 1 1 63 63 VAL CA C 63 56.663 56.663 59.080 -2.417 17762 3231 1 6 . 1 1 63 63 VAL CB C 63 33.538 33.538 34.434 -0.896 17762 3232 1 6 . 1 1 63 63 VAL H H 63 8.317 8.317 8.493 -0.176 17762 3233 1 6 . 1 1 64 64 THR N N 64 116.885 116.885 116.407 0.478 17762 3234 1 6 . 1 1 64 64 THR HA H 64 4.296 4.296 4.375 -0.079 17762 3235 1 6 . 1 1 64 64 THR CA C 64 60.468 60.468 62.277 -1.809 17762 3236 1 6 . 1 1 64 64 THR CB C 64 67.201 67.201 69.217 -2.016 17762 3237 1 6 . 1 1 64 64 THR H H 64 7.965 7.965 7.990 -0.025 17762 3238 1 6 . 1 1 65 65 CYS N N 65 124.789 124.789 125.176 -0.387 17762 3239 1 6 . 1 1 65 65 CYS HA H 65 4.407 4.407 4.299 0.108 17762 3240 1 6 . 1 1 65 65 CYS CA C 65 51.101 51.101 59.106 -8.005 17762 3241 1 6 . 1 1 65 65 CYS CB C 65 36.465 36.465 27.925 8.540 17762 3242 1 6 . 1 1 65 65 CYS H H 65 8.790 8.790 8.949 -0.159 17762 3243 1 6 . 1 1 66 66 LYS N N 66 128.070 128.070 122.219 5.851 17762 3244 1 6 . 1 1 66 66 LYS HA H 66 3.993 3.993 4.109 -0.116 17762 3245 1 6 . 1 1 66 66 LYS CA C 66 56.663 56.663 57.821 -1.157 17762 3246 1 6 . 1 1 66 66 LYS CB C 66 28.854 28.854 30.553 -1.699 17762 3247 1 6 . 1 1 66 66 LYS H H 66 10.959 10.959 8.737 2.222 17762 3248 1 6 . 1 1 67 67 ASP N N 67 117.000 117.000 117.905 -0.905 17762 3249 1 6 . 1 1 67 67 ASP HA H 67 4.459 4.459 4.582 -0.123 17762 3250 1 6 . 1 1 67 67 ASP CA C 67 50.809 50.809 54.918 -4.109 17762 3251 1 6 . 1 1 67 67 ASP CB C 67 37.636 37.636 41.172 -3.536 17762 3252 1 6 . 1 1 67 67 ASP H H 67 8.021 8.021 8.326 -0.305 17762 3253 1 6 . 1 1 68 68 GLY N N 68 108.831 108.831 108.507 0.324 17762 3254 1 6 . 1 1 68 68 GLY CA C 68 42.612 42.612 44.948 -2.336 17762 3255 1 6 . 1 1 68 68 GLY H H 68 8.029 8.029 8.383 -0.354 17762 3256 1 6 . 1 1 69 69 GLN N N 69 120.061 120.061 119.962 0.099 17762 3257 1 6 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.364 -0.007 17762 3258 1 6 . 1 1 69 69 GLN CA C 69 54.264 54.264 57.016 -2.752 17762 3259 1 6 . 1 1 69 69 GLN CB C 69 27.683 27.683 29.743 -2.060 17762 3260 1 6 . 1 1 69 69 GLN H H 69 8.115 8.115 9.054 -0.939 17762 3261 1 6 . 1 1 70 70 THR N N 70 112.531 112.531 114.963 -2.432 17762 3262 1 6 . 1 1 70 70 THR HA H 70 4.475 4.475 4.311 0.164 17762 3263 1 6 . 1 1 70 70 THR CA C 70 58.712 58.712 61.556 -2.844 17762 3264 1 6 . 1 1 70 70 THR CB C 70 67.201 67.201 69.356 -2.155 17762 3265 1 6 . 1 1 70 70 THR H H 70 8.553 8.553 7.964 0.589 17762 3266 1 6 . 1 1 71 71 ASN N N 71 119.619 119.619 120.602 -0.983 17762 3267 1 6 . 1 1 71 71 ASN HA H 71 4.847 4.847 4.773 0.074 17762 3268 1 6 . 1 1 71 71 ASN CA C 71 50.516 50.516 52.073 -1.557 17762 3269 1 6 . 1 1 71 71 ASN CB C 71 35.587 35.587 37.560 -1.973 17762 3270 1 6 . 1 1 71 71 ASN H H 71 8.219 8.219 8.708 -0.489 17762 3271 1 6 . 1 1 72 72 CYS N N 72 118.100 118.100 121.413 -3.313 17762 3272 1 6 . 1 1 72 72 CYS HA H 72 5.424 5.424 4.785 0.639 17762 3273 1 6 . 1 1 72 72 CYS CA C 72 56.956 56.956 60.083 -3.127 17762 3274 1 6 . 1 1 72 72 CYS CB C 72 43.198 43.198 26.732 16.466 17762 3275 1 6 . 1 1 72 72 CYS H H 72 7.477 7.477 7.965 -0.488 17762 3276 1 6 . 1 1 73 73 TYR N N 73 119.843 119.843 122.950 -3.107 17762 3277 1 6 . 1 1 73 73 TYR HA H 73 5.121 5.121 5.082 0.039 17762 3278 1 6 . 1 1 73 73 TYR CA C 73 55.199 55.199 57.145 -1.946 17762 3279 1 6 . 1 1 73 73 TYR CB C 73 41.441 41.441 42.044 -0.603 17762 3280 1 6 . 1 1 73 73 TYR H H 73 8.983 8.983 9.426 -0.443 17762 3281 1 6 . 1 1 74 74 GLN N N 74 123.174 123.174 124.478 -1.304 17762 3282 1 6 . 1 1 74 74 GLN HA H 74 5.408 5.408 5.002 0.406 17762 3283 1 6 . 1 1 74 74 GLN CA C 74 49.930 49.930 54.177 -4.247 17762 3284 1 6 . 1 1 74 74 GLN H H 74 9.477 9.477 9.157 0.320 17762 3285 1 6 . 1 1 75 75 SER N N 75 122.742 122.742 123.152 -0.410 17762 3286 1 6 . 1 1 75 75 SER HA H 75 4.679 4.679 4.355 0.324 17762 3287 1 6 . 1 1 75 75 SER CA C 75 55.764 55.764 59.666 -3.902 17762 3288 1 6 . 1 1 75 75 SER CB C 75 62.424 62.424 64.358 -1.934 17762 3289 1 6 . 1 1 75 75 SER H H 75 9.286 9.286 8.759 0.527 17762 3290 1 6 . 1 1 76 76 LYS N N 76 127.293 127.293 123.767 3.526 17762 3291 1 6 . 1 1 76 76 LYS HA H 76 4.202 4.202 4.055 0.147 17762 3292 1 6 . 1 1 76 76 LYS CA C 76 56.370 56.370 58.887 -2.517 17762 3293 1 6 . 1 1 76 76 LYS CB C 76 30.318 30.318 32.312 -1.994 17762 3294 1 6 . 1 1 76 76 LYS H H 76 8.938 8.938 8.931 0.007 17762 3295 1 6 . 1 1 77 77 SER N N 77 114.297 114.297 114.558 -0.261 17762 3296 1 6 . 1 1 77 77 SER HA H 77 4.888 4.888 4.728 0.160 17762 3297 1 6 . 1 1 77 77 SER CA C 77 53.736 53.736 57.090 -3.354 17762 3298 1 6 . 1 1 77 77 SER CB C 77 62.810 62.810 64.988 -2.178 17762 3299 1 6 . 1 1 77 77 SER H H 77 8.592 8.592 7.771 0.821 17762 3300 1 6 . 1 1 78 78 THR N N 78 113.859 113.859 112.287 1.572 17762 3301 1 6 . 1 1 78 78 THR HA H 78 3.254 3.254 4.014 -0.760 17762 3302 1 6 . 1 1 78 78 THR CA C 78 59.883 59.883 62.640 -2.757 17762 3303 1 6 . 1 1 78 78 THR CB C 78 66.908 66.908 69.067 -2.159 17762 3304 1 6 . 1 1 78 78 THR H H 78 8.134 8.134 8.243 -0.109 17762 3305 1 6 . 1 1 79 79 MET N N 79 121.299 121.299 119.213 2.086 17762 3306 1 6 . 1 1 79 79 MET HA H 79 4.643 4.643 4.837 -0.194 17762 3307 1 6 . 1 1 79 79 MET CA C 79 52.858 52.858 53.213 -0.355 17762 3308 1 6 . 1 1 79 79 MET CB C 79 34.416 34.416 37.380 -2.964 17762 3309 1 6 . 1 1 79 79 MET H H 79 8.508 8.508 8.719 -0.211 17762 3310 1 6 . 1 1 80 80 ARG N N 80 122.767 122.767 121.696 1.071 17762 3311 1 6 . 1 1 80 80 ARG HA H 80 4.376 4.376 4.775 -0.399 17762 3312 1 6 . 1 1 80 80 ARG CA C 80 54.907 54.907 55.845 -0.938 17762 3313 1 6 . 1 1 80 80 ARG CB C 80 27.391 27.391 30.724 -3.333 17762 3314 1 6 . 1 1 80 80 ARG H H 80 9.508 9.508 9.716 -0.208 17762 3315 1 6 . 1 1 81 81 ILE N N 81 120.594 120.594 118.640 1.954 17762 3316 1 6 . 1 1 81 81 ILE HA H 81 5.284 5.284 5.262 0.022 17762 3317 1 6 . 1 1 81 81 ILE CA C 81 56.663 56.663 58.666 -2.003 17762 3318 1 6 . 1 1 81 81 ILE CB C 81 39.978 39.978 42.306 -2.328 17762 3319 1 6 . 1 1 81 81 ILE H H 81 8.645 8.645 9.275 -0.630 17762 3320 1 6 . 1 1 82 82 THR N N 82 119.200 119.200 115.777 3.423 17762 3321 1 6 . 1 1 82 82 THR HA H 82 5.020 5.020 4.758 0.262 17762 3322 1 6 . 1 1 82 82 THR CA C 82 60.176 60.176 60.253 -0.077 17762 3323 1 6 . 1 1 82 82 THR CB C 82 68.372 68.372 68.744 -0.372 17762 3324 1 6 . 1 1 82 82 THR H H 82 9.256 9.256 8.973 0.283 17762 3325 1 6 . 1 1 83 83 ASP N N 83 127.841 127.841 127.016 0.825 17762 3326 1 6 . 1 1 83 83 ASP HA H 83 5.029 5.029 4.619 0.410 17762 3327 1 6 . 1 1 83 83 ASP CA C 83 51.101 51.101 54.443 -3.342 17762 3328 1 6 . 1 1 83 83 ASP CB C 83 40.563 40.563 41.377 -0.814 17762 3329 1 6 . 1 1 83 83 ASP H H 83 9.241 9.241 8.811 0.430 17762 3330 1 6 . 1 1 84 84 CYS N N 84 122.123 122.123 127.877 -5.754 17762 3331 1 6 . 1 1 84 84 CYS HA H 84 5.940 5.940 4.607 1.333 17762 3332 1 6 . 1 1 84 84 CYS CA C 84 49.345 49.345 57.419 -8.074 17762 3333 1 6 . 1 1 84 84 CYS CB C 84 36.465 36.465 26.921 9.544 17762 3334 1 6 . 1 1 84 84 CYS H H 84 8.808 8.808 8.626 0.182 17762 3335 1 6 . 1 1 85 85 ARG N N 85 122.200 122.200 128.457 -6.257 17762 3336 1 6 . 1 1 85 85 ARG HA H 85 5.412 5.412 5.276 0.136 17762 3337 1 6 . 1 1 85 85 ARG CA C 85 52.272 52.272 54.256 -1.984 17762 3338 1 6 . 1 1 85 85 ARG CB C 85 30.903 30.903 34.633 -3.730 17762 3339 1 6 . 1 1 85 85 ARG H H 85 8.204 8.204 8.144 0.060 17762 3340 1 6 . 1 1 86 86 GLU N N 86 128.674 128.674 125.913 2.761 17762 3341 1 6 . 1 1 86 86 GLU HA H 86 4.288 4.288 4.590 -0.302 17762 3342 1 6 . 1 1 86 86 GLU CA C 86 55.199 55.199 56.555 -1.356 17762 3343 1 6 . 1 1 86 86 GLU CB C 86 29.732 29.732 30.713 -0.981 17762 3344 1 6 . 1 1 86 86 GLU H H 86 8.762 8.762 8.412 0.350 17762 3345 1 6 . 1 1 87 87 THR N N 87 115.660 115.660 116.391 -0.731 17762 3346 1 6 . 1 1 87 87 THR HA H 87 4.507 4.507 4.630 -0.123 17762 3347 1 6 . 1 1 87 87 THR CA C 87 58.127 58.127 60.434 -2.307 17762 3348 1 6 . 1 1 87 87 THR CB C 87 68.665 68.665 69.944 -1.279 17762 3349 1 6 . 1 1 87 87 THR H H 87 8.118 8.118 8.955 -0.837 17762 3350 1 6 . 1 1 88 88 GLY N N 88 107.768 107.768 108.737 -0.969 17762 3351 1 6 . 1 1 88 88 GLY CA C 88 43.490 43.490 45.372 -1.882 17762 3352 1 6 . 1 1 88 88 GLY H H 88 8.774 8.774 8.693 0.081 17762 3353 1 6 . 1 1 89 89 SER N N 89 112.931 112.931 116.946 -4.015 17762 3354 1 6 . 1 1 89 89 SER HA H 89 4.503 4.503 4.342 0.161 17762 3355 1 6 . 1 1 89 89 SER CA C 89 55.199 55.199 57.860 -2.661 17762 3356 1 6 . 1 1 89 89 SER CB C 89 61.054 61.054 63.503 -2.449 17762 3357 1 6 . 1 1 89 89 SER H H 89 7.597 7.597 8.194 -0.597 17762 3358 1 6 . 1 1 90 90 SER N N 90 118.245 118.245 119.382 -1.137 17762 3359 1 6 . 1 1 90 90 SER HA H 90 3.943 3.943 4.246 -0.303 17762 3360 1 6 . 1 1 90 90 SER CA C 90 56.370 56.370 59.976 -3.606 17762 3361 1 6 . 1 1 90 90 SER CB C 90 60.468 60.468 63.440 -2.972 17762 3362 1 6 . 1 1 90 90 SER H H 90 6.989 6.989 7.985 -0.996 17762 3363 1 6 . 1 1 91 91 LYS N N 91 129.777 129.777 128.943 0.834 17762 3364 1 6 . 1 1 91 91 LYS HA H 91 4.431 4.431 4.578 -0.147 17762 3365 1 6 . 1 1 91 91 LYS CA C 91 53.443 53.443 54.410 -0.967 17762 3366 1 6 . 1 1 91 91 LYS CB C 91 31.489 31.489 33.036 -1.547 17762 3367 1 6 . 1 1 91 91 LYS H H 91 7.527 7.527 8.490 -0.963 17762 3368 1 6 . 1 1 92 92 TYR N N 92 131.912 131.912 124.419 7.493 17762 3369 1 6 . 1 1 92 92 TYR HA H 92 3.718 3.718 4.402 -0.684 17762 3370 1 6 . 1 1 92 92 TYR CA C 92 56.078 56.078 58.088 -2.010 17762 3371 1 6 . 1 1 92 92 TYR CB C 92 35.880 35.880 38.610 -2.730 17762 3372 1 6 . 1 1 92 92 TYR H H 92 9.290 9.290 8.508 0.782 17762 3373 1 6 . 1 1 93 93 PRO HA H 93 3.028 3.028 3.337 -0.309 17762 3374 1 6 . 1 1 93 93 PRO CA C 93 61.347 61.347 63.126 -1.778 17762 3375 1 6 . 1 1 93 93 PRO CB C 93 31.196 31.196 32.263 -1.067 17762 3376 1 6 . 1 1 94 94 ASN N N 94 130.934 130.934 120.388 10.546 17762 3377 1 6 . 1 1 94 94 ASN HA H 94 4.943 4.943 4.741 0.202 17762 3378 1 6 . 1 1 94 94 ASN CA C 94 49.630 49.630 52.753 -3.123 17762 3379 1 6 . 1 1 94 94 ASN CB C 94 35.001 35.001 37.773 -2.772 17762 3380 1 6 . 1 1 94 94 ASN H H 94 8.823 8.823 8.284 0.539 17762 3381 1 6 . 1 1 95 95 CYS N N 95 122.402 122.402 116.951 5.451 17762 3382 1 6 . 1 1 95 95 CYS HA H 95 4.840 4.840 4.813 0.027 17762 3383 1 6 . 1 1 95 95 CYS CA C 95 50.516 50.516 56.518 -6.002 17762 3384 1 6 . 1 1 95 95 CYS CB C 95 35.880 35.880 27.438 8.442 17762 3385 1 6 . 1 1 95 95 CYS H H 95 7.687 7.687 8.073 -0.386 17762 3386 1 6 . 1 1 96 96 ALA N N 96 129.346 129.346 127.718 1.628 17762 3387 1 6 . 1 1 96 96 ALA HA H 96 4.746 4.746 4.714 0.032 17762 3388 1 6 . 1 1 96 96 ALA CA C 96 49.052 49.052 50.653 -1.601 17762 3389 1 6 . 1 1 96 96 ALA CB C 96 19.194 19.194 20.430 -1.236 17762 3390 1 6 . 1 1 96 96 ALA H H 96 8.634 8.634 8.581 0.053 17762 3391 1 6 . 1 1 97 97 TYR N N 97 118.353 118.353 124.336 -5.983 17762 3392 1 6 . 1 1 97 97 TYR HA H 97 4.904 4.904 5.204 -0.300 17762 3393 1 6 . 1 1 97 97 TYR CA C 97 55.785 55.785 58.003 -2.218 17762 3394 1 6 . 1 1 97 97 TYR CB C 97 41.441 41.441 40.927 0.514 17762 3395 1 6 . 1 1 97 97 TYR H H 97 9.368 9.368 8.601 0.767 17762 3396 1 6 . 1 1 98 98 LYS N N 98 125.559 125.559 122.559 3.000 17762 3397 1 6 . 1 1 98 98 LYS HA H 98 4.743 4.743 4.631 0.112 17762 3398 1 6 . 1 1 98 98 LYS CA C 98 52.565 52.565 54.619 -2.054 17762 3399 1 6 . 1 1 98 98 LYS CB C 98 31.489 31.489 35.508 -4.019 17762 3400 1 6 . 1 1 98 98 LYS H H 98 9.427 9.427 9.115 0.312 17762 3401 1 6 . 1 1 99 99 THR N N 99 126.667 126.667 122.016 4.651 17762 3402 1 6 . 1 1 99 99 THR HA H 99 5.243 5.243 4.432 0.811 17762 3403 1 6 . 1 1 99 99 THR CA C 99 60.176 60.176 62.335 -2.159 17762 3404 1 6 . 1 1 99 99 THR CB C 99 68.665 68.665 69.558 -0.893 17762 3405 1 6 . 1 1 99 99 THR H H 99 9.055 9.055 8.388 0.667 17762 3406 1 6 . 1 1 100 100 THR N N 100 124.517 124.517 122.118 2.399 17762 3407 1 6 . 1 1 100 100 THR HA H 100 4.637 4.637 4.530 0.107 17762 3408 1 6 . 1 1 100 100 THR CA C 100 59.883 59.883 61.521 -1.638 17762 3409 1 6 . 1 1 100 100 THR CB C 100 68.372 68.372 70.259 -1.887 17762 3410 1 6 . 1 1 100 100 THR H H 100 8.855 8.855 8.686 0.169 17762 3411 1 6 . 1 1 101 101 GLN N N 101 128.586 128.586 128.909 -0.323 17762 3412 1 6 . 1 1 101 101 GLN HA H 101 5.180 5.180 4.645 0.535 17762 3413 1 6 . 1 1 101 101 GLN CA C 101 53.150 53.150 56.013 -2.863 17762 3414 1 6 . 1 1 101 101 GLN CB C 101 27.098 27.098 28.720 -1.622 17762 3415 1 6 . 1 1 101 101 GLN H H 101 8.823 8.823 8.756 0.067 17762 3416 1 6 . 1 1 102 102 VAL N N 102 121.495 121.495 122.080 -0.585 17762 3417 1 6 . 1 1 102 102 VAL HA H 102 4.639 4.639 4.807 -0.168 17762 3418 1 6 . 1 1 102 102 VAL CA C 102 57.834 57.834 59.846 -2.012 17762 3419 1 6 . 1 1 102 102 VAL CB C 102 34.123 34.123 35.976 -1.853 17762 3420 1 6 . 1 1 102 102 VAL H H 102 8.643 8.643 8.793 -0.150 17762 3421 1 6 . 1 1 103 103 GLU N N 103 122.031 122.031 119.461 2.570 17762 3422 1 6 . 1 1 103 103 GLU HA H 103 5.400 5.400 5.302 0.098 17762 3423 1 6 . 1 1 103 103 GLU CA C 103 52.565 52.565 54.775 -2.210 17762 3424 1 6 . 1 1 103 103 GLU CB C 103 28.269 28.269 32.612 -4.343 17762 3425 1 6 . 1 1 103 103 GLU H H 103 8.068 8.068 8.436 -0.368 17762 3426 1 6 . 1 1 104 104 LYS N N 104 122.283 122.283 121.450 0.833 17762 3427 1 6 . 1 1 104 104 LYS HA H 104 4.795 4.795 4.565 0.230 17762 3428 1 6 . 1 1 104 104 LYS CA C 104 51.979 51.979 55.213 -3.234 17762 3429 1 6 . 1 1 104 104 LYS CB C 104 37.050 37.050 36.793 0.257 17762 3430 1 6 . 1 1 104 104 LYS H H 104 8.336 8.336 8.691 -0.355 17762 3431 1 6 . 1 1 105 105 HIS N N 105 119.366 119.366 119.876 -0.510 17762 3432 1 6 . 1 1 105 105 HIS HA H 105 4.407 4.407 4.764 -0.357 17762 3433 1 6 . 1 1 105 105 HIS CA C 105 54.321 54.321 56.329 -2.008 17762 3434 1 6 . 1 1 105 105 HIS CB C 105 25.341 25.341 28.576 -3.235 17762 3435 1 6 . 1 1 105 105 HIS H H 105 9.202 9.202 8.609 0.593 17762 3436 1 6 . 1 1 106 106 ILE N N 106 114.175 114.175 119.880 -5.705 17762 3437 1 6 . 1 1 106 106 ILE HA H 106 4.997 4.997 4.091 0.906 17762 3438 1 6 . 1 1 106 106 ILE CA C 106 57.541 57.541 62.546 -5.005 17762 3439 1 6 . 1 1 106 106 ILE CB C 106 38.807 38.807 38.070 0.737 17762 3440 1 6 . 1 1 106 106 ILE H H 106 8.447 8.447 8.220 0.227 17762 3441 1 6 . 1 1 107 107 ILE N N 107 122.400 122.400 126.717 -4.317 17762 3442 1 6 . 1 1 107 107 ILE HA H 107 5.296 5.296 5.026 0.270 17762 3443 1 6 . 1 1 107 107 ILE CA C 107 57.541 57.541 58.501 -0.960 17762 3444 1 6 . 1 1 107 107 ILE CB C 107 36.758 36.758 37.004 -0.246 17762 3445 1 6 . 1 1 107 107 ILE H H 107 8.314 8.314 8.920 -0.606 17762 3446 1 6 . 1 1 108 108 VAL N N 108 118.187 118.187 123.597 -5.410 17762 3447 1 6 . 1 1 108 108 VAL HA H 108 4.888 4.888 4.645 0.243 17762 3448 1 6 . 1 1 108 108 VAL CA C 108 55.199 55.199 58.823 -3.624 17762 3449 1 6 . 1 1 108 108 VAL CB C 108 32.074 32.074 34.524 -2.450 17762 3450 1 6 . 1 1 108 108 VAL H H 108 8.907 8.907 8.998 -0.091 17762 3451 1 6 . 1 1 109 109 ALA N N 109 122.660 122.660 127.565 -4.905 17762 3452 1 6 . 1 1 109 109 ALA HA H 109 5.296 5.296 4.498 0.798 17762 3453 1 6 . 1 1 109 109 ALA CA C 109 48.174 48.174 51.093 -2.919 17762 3454 1 6 . 1 1 109 109 ALA CB C 109 19.194 19.194 18.837 0.357 17762 3455 1 6 . 1 1 109 109 ALA H H 109 8.706 8.706 8.662 0.044 17762 3456 1 6 . 1 1 110 110 CYS N N 110 120.404 120.404 124.081 -3.677 17762 3457 1 6 . 1 1 110 110 CYS HA H 110 5.680 5.680 5.098 0.582 17762 3458 1 6 . 1 1 110 110 CYS CA C 110 53.443 53.443 57.437 -3.994 17762 3459 1 6 . 1 1 110 110 CYS CB C 110 47.003 47.003 29.300 17.703 17762 3460 1 6 . 1 1 110 110 CYS H H 110 8.797 8.797 8.655 0.142 17762 3461 1 6 . 1 1 111 111 GLY N N 111 111.123 111.123 111.849 -0.726 17762 3462 1 6 . 1 1 111 111 GLY CA C 111 42.905 42.905 45.650 -2.745 17762 3463 1 6 . 1 1 111 111 GLY H H 111 9.107 9.107 8.835 0.272 17762 3464 1 6 . 1 1 112 112 GLY N N 112 107.554 107.554 107.131 0.423 17762 3465 1 6 . 1 1 112 112 GLY CA C 112 40.856 40.856 45.257 -4.401 17762 3466 1 6 . 1 1 112 112 GLY H H 112 8.206 8.206 8.118 0.088 17762 3467 1 6 . 1 1 113 113 LYS N N 113 118.578 118.578 118.950 -0.372 17762 3468 1 6 . 1 1 113 113 LYS HA H 113 4.384 4.384 4.064 0.320 17762 3469 1 6 . 1 1 113 113 LYS CA C 113 51.100 51.100 55.888 -4.788 17762 3470 1 6 . 1 1 113 113 LYS CB C 113 32.367 32.367 31.712 0.655 17762 3471 1 6 . 1 1 113 113 LYS H H 113 7.774 7.774 8.157 -0.383 17762 3472 1 6 . 1 1 114 114 PRO HA H 114 4.615 4.615 4.437 0.178 17762 3473 1 6 . 1 1 114 114 PRO C C 114 3.597 3.597 176.351 -172.754 17762 3474 1 6 . 1 1 114 114 PRO CA C 114 60.448 60.448 61.632 -1.184 17762 3475 1 6 . 1 1 114 114 PRO CB C 114 31.781 31.781 32.698 -0.917 17762 3476 1 6 . 1 1 115 115 SER N N 115 116.201 116.201 116.334 -0.133 17762 3477 1 6 . 1 1 115 115 SER HA H 115 3.954 3.954 4.197 -0.243 17762 3478 1 6 . 1 1 115 115 SER CA C 115 56.078 56.078 58.566 -2.488 17762 3479 1 6 . 1 1 115 115 SER CB C 115 60.761 60.761 61.610 -0.849 17762 3480 1 6 . 1 1 115 115 SER H H 115 8.201 8.201 8.547 -0.346 17762 3481 1 6 . 1 1 116 116 VAL N N 116 120.540 120.540 118.073 2.467 17762 3482 1 6 . 1 1 116 116 VAL HA H 116 4.858 4.858 4.749 0.109 17762 3483 1 6 . 1 1 116 116 VAL CA C 116 56.078 56.078 58.019 -1.941 17762 3484 1 6 . 1 1 116 116 VAL CB C 116 31.196 31.196 34.172 -2.975 17762 3485 1 6 . 1 1 116 116 VAL H H 116 8.511 8.511 8.572 -0.061 17762 3486 1 6 . 1 1 117 117 PRO HA H 117 4.508 4.508 4.784 -0.276 17762 3487 1 6 . 1 1 117 117 PRO CA C 117 60.468 60.468 62.688 -2.220 17762 3488 1 6 . 1 1 117 117 PRO CB C 117 27.391 27.391 32.791 -5.399 17762 3489 1 6 . 1 1 118 118 VAL N N 118 111.972 111.972 113.526 -1.554 17762 3490 1 6 . 1 1 118 118 VAL HA H 118 4.532 4.532 4.250 0.282 17762 3491 1 6 . 1 1 118 118 VAL CA C 118 58.419 58.419 61.360 -2.941 17762 3492 1 6 . 1 1 118 118 VAL CB C 118 31.781 31.781 33.612 -1.831 17762 3493 1 6 . 1 1 118 118 VAL H H 118 8.927 8.927 8.506 0.421 17762 3494 1 6 . 1 1 119 119 HIS N N 119 121.264 121.264 117.102 4.162 17762 3495 1 6 . 1 1 119 119 HIS HA H 119 5.324 5.324 4.050 1.274 17762 3496 1 6 . 1 1 119 119 HIS CA C 119 53.443 53.443 54.579 -1.136 17762 3497 1 6 . 1 1 119 119 HIS CB C 119 30.025 30.025 32.980 -2.955 17762 3498 1 6 . 1 1 119 119 HIS H H 119 7.616 7.616 6.933 0.683 17762 3499 1 6 . 1 1 120 120 PHE HA H 120 4.283 4.283 4.566 -0.283 17762 3500 1 6 . 1 1 120 120 PHE CA C 120 55.785 55.785 57.173 -1.388 17762 3501 1 6 . 1 1 120 120 PHE CB C 120 36.172 36.172 41.283 -5.111 17762 3502 1 6 . 1 1 121 121 ASP N N 121 131.399 131.399 124.137 7.262 17762 3503 1 6 . 1 1 121 121 ASP HA H 121 4.668 4.668 4.568 0.100 17762 3504 1 6 . 1 1 121 121 ASP CA C 121 54.614 54.614 54.409 0.205 17762 3505 1 6 . 1 1 121 121 ASP CB C 121 44.076 44.076 44.033 0.043 17762 3506 1 6 . 1 1 121 121 ASP H H 121 8.644 8.644 8.493 0.151 17762 3507 1 6 . 1 1 122 122 ALA N N 122 116.961 116.961 118.572 -1.611 17762 3508 1 6 . 1 1 122 122 ALA HA H 122 4.491 4.491 4.653 -0.162 17762 3509 1 6 . 1 1 122 122 ALA CA C 122 49.345 49.345 51.840 -2.495 17762 3510 1 6 . 1 1 122 122 ALA CB C 122 19.194 19.194 21.126 -1.932 17762 3511 1 6 . 1 1 122 122 ALA H H 122 7.419 7.419 7.038 0.381 17762 3512 1 6 . 1 1 123 123 SER N N 123 112.579 112.579 115.978 -3.399 17762 3513 1 6 . 1 1 123 123 SER HA H 123 5.325 5.325 5.507 -0.182 17762 3514 1 6 . 1 1 123 123 SER CA C 123 54.321 54.321 57.514 -3.193 17762 3515 1 6 . 1 1 123 123 SER CB C 123 63.981 63.981 65.330 -1.349 17762 3516 1 6 . 1 1 123 123 SER H H 123 8.092 8.092 8.550 -0.458 17762 3517 1 7 . 1 1 2 2 GLU N N 2 126.119 126.119 121.518 4.601 17762 3518 1 7 . 1 1 2 2 GLU HA H 2 4.370 4.370 4.365 0.005 17762 3519 1 7 . 1 1 2 2 GLU CA C 2 53.440 53.440 56.178 -2.738 17762 3520 1 7 . 1 1 2 2 GLU CB C 2 29.147 29.147 28.918 0.229 17762 3521 1 7 . 1 1 2 2 GLU H H 2 8.448 8.448 8.750 -0.302 17762 3522 1 7 . 1 1 3 3 SER N N 3 124.530 124.530 121.552 2.978 17762 3523 1 7 . 1 1 3 3 SER HA H 3 4.500 4.500 4.416 0.084 17762 3524 1 7 . 1 1 3 3 SER CA C 3 54.907 54.907 57.357 -2.450 17762 3525 1 7 . 1 1 3 3 SER CB C 3 62.511 62.511 61.967 0.544 17762 3526 1 7 . 1 1 3 3 SER H H 3 8.755 8.755 8.482 0.273 17762 3527 1 7 . 1 1 4 4 ALA N N 4 125.341 125.341 125.910 -0.569 17762 3528 1 7 . 1 1 4 4 ALA HA H 4 4.216 4.216 3.857 0.359 17762 3529 1 7 . 1 1 4 4 ALA CA C 4 52.858 52.858 54.764 -1.906 17762 3530 1 7 . 1 1 4 4 ALA CB C 4 15.389 15.389 17.031 -1.642 17762 3531 1 7 . 1 1 4 4 ALA H H 4 8.961 8.961 8.605 0.356 17762 3532 1 7 . 1 1 5 5 ALA N N 5 121.896 121.896 123.460 -1.564 17762 3533 1 7 . 1 1 5 5 ALA HA H 5 4.375 4.375 4.180 0.195 17762 3534 1 7 . 1 1 5 5 ALA CA C 5 52.565 52.565 55.432 -2.867 17762 3535 1 7 . 1 1 5 5 ALA CB C 5 15.974 15.974 18.560 -2.586 17762 3536 1 7 . 1 1 5 5 ALA H H 5 8.659 8.659 8.226 0.433 17762 3537 1 7 . 1 1 6 6 ALA N N 6 123.734 123.734 120.137 3.597 17762 3538 1 7 . 1 1 6 6 ALA HA H 6 4.216 4.216 4.128 0.088 17762 3539 1 7 . 1 1 6 6 ALA CA C 6 52.272 52.272 55.201 -2.929 17762 3540 1 7 . 1 1 6 6 ALA CB C 6 15.389 15.389 18.096 -2.707 17762 3541 1 7 . 1 1 6 6 ALA H H 6 8.009 8.009 8.584 -0.575 17762 3542 1 7 . 1 1 7 7 LYS N N 7 123.118 123.118 119.971 3.147 17762 3543 1 7 . 1 1 7 7 LYS HA H 7 4.025 4.025 4.059 -0.034 17762 3544 1 7 . 1 1 7 7 LYS CA C 7 57.834 57.834 58.778 -0.944 17762 3545 1 7 . 1 1 7 7 LYS CB C 7 29.732 29.732 32.423 -2.691 17762 3546 1 7 . 1 1 7 7 LYS H H 7 8.737 8.737 7.584 1.153 17762 3547 1 7 . 1 1 8 8 PHE N N 8 120.604 120.604 120.200 0.404 17762 3548 1 7 . 1 1 8 8 PHE HA H 8 4.388 4.388 4.031 0.357 17762 3549 1 7 . 1 1 8 8 PHE CA C 8 59.298 59.298 60.795 -1.497 17762 3550 1 7 . 1 1 8 8 PHE CB C 8 36.465 36.465 38.630 -2.165 17762 3551 1 7 . 1 1 8 8 PHE H H 8 8.058 8.058 8.676 -0.618 17762 3552 1 7 . 1 1 9 9 GLU N N 9 119.978 119.978 119.915 0.063 17762 3553 1 7 . 1 1 9 9 GLU HA H 9 3.742 3.742 3.173 0.569 17762 3554 1 7 . 1 1 9 9 GLU CA C 9 58.127 58.127 59.055 -0.928 17762 3555 1 7 . 1 1 9 9 GLU CB C 9 35.001 35.001 29.300 5.701 17762 3556 1 7 . 1 1 9 9 GLU H H 9 7.922 7.922 8.463 -0.540 17762 3557 1 7 . 1 1 10 10 ARG N N 10 120.914 120.914 114.569 6.345 17762 3558 1 7 . 1 1 10 10 ARG HA H 10 4.197 4.197 4.037 0.160 17762 3559 1 7 . 1 1 10 10 ARG CA C 10 56.663 56.663 56.939 -0.276 17762 3560 1 7 . 1 1 10 10 ARG CB C 10 27.683 27.683 29.493 -1.810 17762 3561 1 7 . 1 1 10 10 ARG H H 10 8.323 8.323 8.041 0.282 17762 3562 1 7 . 1 1 11 11 GLN N N 11 112.201 112.201 114.389 -2.188 17762 3563 1 7 . 1 1 11 11 GLN HA H 11 3.787 3.787 4.304 -0.517 17762 3564 1 7 . 1 1 11 11 GLN CA C 11 55.492 55.492 56.312 -0.820 17762 3565 1 7 . 1 1 11 11 GLN CB C 11 26.805 26.805 28.910 -2.105 17762 3566 1 7 . 1 1 11 11 GLN H H 11 8.425 8.425 7.564 0.861 17762 3567 1 7 . 1 1 12 12 HIS N N 12 106.607 106.607 116.605 -9.998 17762 3568 1 7 . 1 1 12 12 HIS HA H 12 4.943 4.943 4.569 0.374 17762 3569 1 7 . 1 1 12 12 HIS CA C 12 52.272 52.272 56.298 -4.026 17762 3570 1 7 . 1 1 12 12 HIS CB C 12 27.680 27.680 33.023 -5.343 17762 3571 1 7 . 1 1 12 12 HIS H H 12 7.708 7.708 8.199 -0.491 17762 3572 1 7 . 1 1 13 13 MET N N 13 117.217 117.217 121.527 -4.310 17762 3573 1 7 . 1 1 13 13 MET HA H 13 5.460 5.460 4.409 1.051 17762 3574 1 7 . 1 1 13 13 MET CA C 13 50.516 50.516 54.160 -3.644 17762 3575 1 7 . 1 1 13 13 MET CB C 13 27.098 27.098 31.193 -4.095 17762 3576 1 7 . 1 1 13 13 MET H H 13 8.037 8.037 7.922 0.115 17762 3577 1 7 . 1 1 14 14 ASP N N 14 123.910 123.910 128.399 -4.489 17762 3578 1 7 . 1 1 14 14 ASP HA H 14 5.024 5.024 4.644 0.380 17762 3579 1 7 . 1 1 14 14 ASP CA C 14 51.101 51.101 51.818 -0.716 17762 3580 1 7 . 1 1 14 14 ASP CB C 14 37.636 37.636 40.865 -3.229 17762 3581 1 7 . 1 1 14 14 ASP H H 14 8.805 8.805 8.552 0.253 17762 3582 1 7 . 1 1 15 15 SER N N 15 121.832 121.832 119.007 2.825 17762 3583 1 7 . 1 1 15 15 SER HA H 15 4.202 4.202 4.365 -0.163 17762 3584 1 7 . 1 1 15 15 SER CA C 15 58.127 58.127 58.057 0.070 17762 3585 1 7 . 1 1 15 15 SER CB C 15 61.347 61.347 62.022 -0.675 17762 3586 1 7 . 1 1 15 15 SER H H 15 8.943 8.943 7.940 1.003 17762 3587 1 7 . 1 1 16 16 GLY N N 16 111.703 111.703 110.272 1.431 17762 3588 1 7 . 1 1 16 16 GLY CA C 16 42.905 42.905 43.746 -0.841 17762 3589 1 7 . 1 1 16 16 GLY H H 16 8.586 8.586 7.489 1.097 17762 3590 1 7 . 1 1 17 17 ASN N N 17 119.334 119.334 116.553 2.781 17762 3591 1 7 . 1 1 17 17 ASN HA H 17 4.660 4.660 4.588 0.072 17762 3592 1 7 . 1 1 17 17 ASN CA C 17 50.223 50.223 53.466 -3.243 17762 3593 1 7 . 1 1 17 17 ASN CB C 17 37.346 37.346 39.710 -2.364 17762 3594 1 7 . 1 1 17 17 ASN H H 17 7.983 7.983 8.438 -0.455 17762 3595 1 7 . 1 1 18 18 SER N N 18 117.557 117.557 116.815 0.742 17762 3596 1 7 . 1 1 18 18 SER HA H 18 4.187 4.187 4.671 -0.484 17762 3597 1 7 . 1 1 18 18 SER CA C 18 53.443 53.443 55.316 -1.873 17762 3598 1 7 . 1 1 18 18 SER CB C 18 60.468 60.468 64.025 -3.557 17762 3599 1 7 . 1 1 18 18 SER H H 18 8.291 8.291 8.639 -0.348 17762 3600 1 7 . 1 1 19 19 PRO HA H 19 4.204 4.204 4.482 -0.278 17762 3601 1 7 . 1 1 19 19 PRO CA C 19 60.468 60.468 63.864 -3.396 17762 3602 1 7 . 1 1 19 19 PRO CB C 19 29.147 29.147 32.372 -3.225 17762 3603 1 7 . 1 1 20 20 SER N N 20 115.589 115.589 112.362 3.227 17762 3604 1 7 . 1 1 20 20 SER HA H 20 4.370 4.370 4.613 -0.243 17762 3605 1 7 . 1 1 20 20 SER CA C 20 54.907 54.907 58.128 -3.221 17762 3606 1 7 . 1 1 20 20 SER CB C 20 61.347 61.347 63.197 -1.850 17762 3607 1 7 . 1 1 20 20 SER H H 20 8.118 8.118 8.457 -0.339 17762 3608 1 7 . 1 1 21 21 SER N N 21 118.787 118.787 117.976 0.811 17762 3609 1 7 . 1 1 21 21 SER HA H 21 4.398 4.398 4.559 -0.161 17762 3610 1 7 . 1 1 21 21 SER CA C 21 56.370 56.370 56.952 -0.582 17762 3611 1 7 . 1 1 21 21 SER CB C 21 61.639 61.639 63.409 -1.770 17762 3612 1 7 . 1 1 21 21 SER H H 21 8.406 8.406 7.883 0.523 17762 3613 1 7 . 1 1 22 22 SER N N 22 116.967 116.967 114.048 2.919 17762 3614 1 7 . 1 1 22 22 SER HA H 22 4.579 4.579 4.377 0.202 17762 3615 1 7 . 1 1 22 22 SER CA C 22 56.076 56.076 58.291 -2.215 17762 3616 1 7 . 1 1 22 22 SER CB C 22 61.054 61.054 63.136 -2.082 17762 3617 1 7 . 1 1 22 22 SER H H 22 8.278 8.278 7.914 0.364 17762 3618 1 7 . 1 1 23 23 SER N N 23 119.166 119.166 121.755 -2.589 17762 3619 1 7 . 1 1 23 23 SER HA H 23 4.520 4.520 4.146 0.374 17762 3620 1 7 . 1 1 23 23 SER CA C 23 57.956 57.956 61.099 -3.143 17762 3621 1 7 . 1 1 23 23 SER CB C 23 61.639 61.639 62.412 -0.773 17762 3622 1 7 . 1 1 23 23 SER H H 23 8.376 8.376 8.541 -0.165 17762 3623 1 7 . 1 1 24 24 ASN N N 24 120.511 120.511 120.417 0.094 17762 3624 1 7 . 1 1 24 24 ASN HA H 24 4.940 4.940 4.379 0.561 17762 3625 1 7 . 1 1 24 24 ASN CA C 24 50.516 50.516 56.266 -5.750 17762 3626 1 7 . 1 1 24 24 ASN CB C 24 36.758 36.758 37.965 -1.207 17762 3627 1 7 . 1 1 24 24 ASN H H 24 8.483 8.483 8.315 0.168 17762 3628 1 7 . 1 1 25 25 TYR N N 25 121.549 121.549 119.796 1.753 17762 3629 1 7 . 1 1 25 25 TYR HA H 25 3.941 3.941 4.294 -0.353 17762 3630 1 7 . 1 1 25 25 TYR CA C 25 59.883 59.883 59.789 0.093 17762 3631 1 7 . 1 1 25 25 TYR CB C 25 36.465 36.465 37.224 -0.759 17762 3632 1 7 . 1 1 25 25 TYR H H 25 7.765 7.765 7.607 0.158 17762 3633 1 7 . 1 1 26 26 CYS N N 26 115.301 115.301 118.677 -3.376 17762 3634 1 7 . 1 1 26 26 CYS HA H 26 3.784 3.784 3.754 0.030 17762 3635 1 7 . 1 1 26 26 CYS CA C 26 59.005 59.005 63.093 -4.088 17762 3636 1 7 . 1 1 26 26 CYS CB C 26 37.636 37.636 25.599 12.037 17762 3637 1 7 . 1 1 26 26 CYS H H 26 7.800 7.800 8.606 -0.806 17762 3638 1 7 . 1 1 27 27 ASN N N 27 120.386 120.386 117.721 2.665 17762 3639 1 7 . 1 1 27 27 ASN HA H 27 4.376 4.376 4.353 0.023 17762 3640 1 7 . 1 1 27 27 ASN CA C 27 53.736 53.736 56.767 -3.031 17762 3641 1 7 . 1 1 27 27 ASN CB C 27 34.416 34.416 38.328 -3.912 17762 3642 1 7 . 1 1 27 27 ASN H H 27 7.774 7.774 8.253 -0.479 17762 3643 1 7 . 1 1 28 28 LEU N N 28 120.114 120.114 122.258 -2.144 17762 3644 1 7 . 1 1 28 28 LEU HA H 28 4.085 4.085 4.022 0.063 17762 3645 1 7 . 1 1 28 28 LEU CA C 28 55.199 55.199 58.415 -3.216 17762 3646 1 7 . 1 1 28 28 LEU CB C 28 39.978 39.978 41.368 -1.390 17762 3647 1 7 . 1 1 28 28 LEU H H 28 7.434 7.434 8.665 -1.231 17762 3648 1 7 . 1 1 29 29 MET N N 29 118.101 118.101 118.183 -0.082 17762 3649 1 7 . 1 1 29 29 MET HA H 29 4.189 4.189 3.882 0.307 17762 3650 1 7 . 1 1 29 29 MET CA C 29 53.443 53.443 59.372 -5.929 17762 3651 1 7 . 1 1 29 29 MET CB C 29 28.269 28.269 32.571 -4.302 17762 3652 1 7 . 1 1 29 29 MET H H 29 8.474 8.474 8.638 -0.164 17762 3653 1 7 . 1 1 30 30 MET N N 30 116.980 116.980 117.862 -0.882 17762 3654 1 7 . 1 1 30 30 MET HA H 30 4.308 4.308 4.051 0.257 17762 3655 1 7 . 1 1 30 30 MET CA C 30 54.614 54.614 58.937 -4.323 17762 3656 1 7 . 1 1 30 30 MET CB C 30 27.098 27.098 31.462 -4.364 17762 3657 1 7 . 1 1 30 30 MET H H 30 8.672 8.672 7.948 0.724 17762 3658 1 7 . 1 1 31 31 CYS N N 31 116.217 116.217 119.911 -3.694 17762 3659 1 7 . 1 1 31 31 CYS HA H 31 4.713 4.713 4.086 0.627 17762 3660 1 7 . 1 1 31 31 CYS CA C 31 55.786 55.786 62.681 -6.895 17762 3661 1 7 . 1 1 31 31 CYS CB C 31 39.392 39.392 27.770 11.621 17762 3662 1 7 . 1 1 31 31 CYS H H 31 6.592 6.592 8.612 -2.020 17762 3663 1 7 . 1 1 32 32 CYS N N 32 124.056 124.056 118.124 5.932 17762 3664 1 7 . 1 1 32 32 CYS HA H 32 4.410 4.410 4.017 0.393 17762 3665 1 7 . 1 1 32 32 CYS CA C 32 56.078 56.078 62.027 -5.949 17762 3666 1 7 . 1 1 32 32 CYS CB C 32 37.343 37.343 27.888 9.455 17762 3667 1 7 . 1 1 32 32 CYS H H 32 9.448 9.448 8.423 1.025 17762 3668 1 7 . 1 1 33 33 ARG N N 33 116.829 116.829 119.165 -2.336 17762 3669 1 7 . 1 1 33 33 ARG HA H 33 4.467 4.467 4.338 0.129 17762 3670 1 7 . 1 1 33 33 ARG CA C 33 50.809 50.809 57.517 -6.708 17762 3671 1 7 . 1 1 33 33 ARG CB C 33 26.220 26.220 31.000 -4.780 17762 3672 1 7 . 1 1 33 33 ARG H H 33 8.099 8.099 8.186 -0.087 17762 3673 1 7 . 1 1 34 34 LYS N N 34 111.068 111.068 114.837 -3.769 17762 3674 1 7 . 1 1 34 34 LYS HA H 34 4.360 4.360 4.338 0.022 17762 3675 1 7 . 1 1 34 34 LYS CA C 34 54.321 54.321 57.046 -2.725 17762 3676 1 7 . 1 1 34 34 LYS CB C 34 25.634 25.634 32.553 -6.919 17762 3677 1 7 . 1 1 34 34 LYS H H 34 7.690 7.690 8.572 -0.882 17762 3678 1 7 . 1 1 35 35 MET N N 35 116.639 116.639 119.150 -2.511 17762 3679 1 7 . 1 1 35 35 MET HA H 35 4.749 4.749 4.133 0.616 17762 3680 1 7 . 1 1 35 35 MET CA C 35 53.443 53.443 59.567 -6.124 17762 3681 1 7 . 1 1 35 35 MET CB C 35 30.903 30.903 31.965 -1.062 17762 3682 1 7 . 1 1 35 35 MET H H 35 8.195 8.195 8.693 -0.498 17762 3683 1 7 . 1 1 36 36 THR N N 36 107.641 107.641 110.366 -2.725 17762 3684 1 7 . 1 1 36 36 THR HA H 36 5.292 5.292 4.162 1.130 17762 3685 1 7 . 1 1 36 36 THR CA C 36 58.127 58.127 65.332 -7.205 17762 3686 1 7 . 1 1 36 36 THR CB C 36 66.030 66.030 68.076 -2.046 17762 3687 1 7 . 1 1 36 36 THR H H 36 7.562 7.562 8.192 -0.630 17762 3688 1 7 . 1 1 37 37 GLN N N 37 121.079 121.079 120.090 0.989 17762 3689 1 7 . 1 1 37 37 GLN HA H 37 4.554 4.554 4.138 0.416 17762 3690 1 7 . 1 1 37 37 GLN CA C 37 52.858 52.858 58.485 -5.627 17762 3691 1 7 . 1 1 37 37 GLN CB C 37 26.220 26.220 29.120 -2.900 17762 3692 1 7 . 1 1 37 37 GLN H H 37 7.334 7.334 8.220 -0.886 17762 3693 1 7 . 1 1 38 38 GLY N N 38 118.390 118.390 104.426 13.964 17762 3694 1 7 . 1 1 38 38 GLY CA C 38 43.783 43.783 45.082 -1.299 17762 3695 1 7 . 1 1 38 38 GLY H H 38 8.345 8.345 8.239 0.106 17762 3696 1 7 . 1 1 39 39 LYS N N 39 116.961 116.961 119.120 -2.159 17762 3697 1 7 . 1 1 39 39 LYS HA H 39 3.555 3.555 3.882 -0.327 17762 3698 1 7 . 1 1 39 39 LYS CA C 39 52.272 52.272 54.933 -2.661 17762 3699 1 7 . 1 1 39 39 LYS CB C 39 31.196 31.196 33.301 -2.105 17762 3700 1 7 . 1 1 39 39 LYS H H 39 7.222 7.222 8.275 -1.053 17762 3701 1 7 . 1 1 40 40 CYS N N 40 119.480 119.480 119.118 0.362 17762 3702 1 7 . 1 1 40 40 CYS HA H 40 4.787 4.787 4.767 0.020 17762 3703 1 7 . 1 1 40 40 CYS CA C 40 50.809 50.809 57.078 -6.269 17762 3704 1 7 . 1 1 40 40 CYS CB C 40 34.101 34.101 28.442 5.659 17762 3705 1 7 . 1 1 40 40 CYS H H 40 8.891 8.891 8.677 0.214 17762 3706 1 7 . 1 1 41 41 LYS N N 41 130.320 130.320 123.066 7.254 17762 3707 1 7 . 1 1 41 41 LYS HA H 41 4.550 4.550 4.795 -0.245 17762 3708 1 7 . 1 1 41 41 LYS CA C 41 53.443 53.443 52.860 0.583 17762 3709 1 7 . 1 1 41 41 LYS CB C 41 31.489 31.489 33.274 -1.785 17762 3710 1 7 . 1 1 41 41 LYS H H 41 7.902 7.902 8.554 -0.652 17762 3711 1 7 . 1 1 42 42 PRO HA H 42 4.600 4.600 4.297 0.303 17762 3712 1 7 . 1 1 42 42 PRO CA C 42 63.981 63.981 64.279 -0.298 17762 3713 1 7 . 1 1 42 42 PRO CB C 42 29.732 29.732 32.254 -2.522 17762 3714 1 7 . 1 1 43 43 VAL N N 43 111.738 111.738 111.629 0.109 17762 3715 1 7 . 1 1 43 43 VAL HA H 43 5.302 5.302 5.138 0.164 17762 3716 1 7 . 1 1 43 43 VAL CA C 43 56.663 56.663 59.560 -2.897 17762 3717 1 7 . 1 1 43 43 VAL CB C 43 32.952 32.952 36.324 -3.372 17762 3718 1 7 . 1 1 43 43 VAL H H 43 6.967 6.967 7.523 -0.556 17762 3719 1 7 . 1 1 44 44 ASN N N 44 120.558 120.558 119.964 0.594 17762 3720 1 7 . 1 1 44 44 ASN HA H 44 4.770 4.770 5.029 -0.259 17762 3721 1 7 . 1 1 44 44 ASN CA C 44 51.687 51.687 53.359 -1.672 17762 3722 1 7 . 1 1 44 44 ASN CB C 44 41.734 41.734 41.301 0.433 17762 3723 1 7 . 1 1 44 44 ASN H H 44 8.741 8.741 9.337 -0.596 17762 3724 1 7 . 1 1 45 45 THR N N 45 120.658 120.658 123.691 -3.033 17762 3725 1 7 . 1 1 45 45 THR HA H 45 5.142 5.142 4.481 0.661 17762 3726 1 7 . 1 1 45 45 THR CA C 45 59.005 59.005 62.797 -3.792 17762 3727 1 7 . 1 1 45 45 THR CB C 45 68.079 68.079 68.058 0.021 17762 3728 1 7 . 1 1 45 45 THR H H 45 6.938 6.938 8.563 -1.625 17762 3729 1 7 . 1 1 46 46 PHE N N 46 125.168 125.168 127.688 -2.520 17762 3730 1 7 . 1 1 46 46 PHE HA H 46 4.916 4.916 4.479 0.437 17762 3731 1 7 . 1 1 46 46 PHE CA C 46 54.321 54.321 55.080 -0.759 17762 3732 1 7 . 1 1 46 46 PHE CB C 46 26.692 26.692 38.486 -11.794 17762 3733 1 7 . 1 1 46 46 PHE H H 46 9.318 9.318 8.789 0.529 17762 3734 1 7 . 1 1 47 47 VAL N N 47 121.430 121.430 122.784 -1.354 17762 3735 1 7 . 1 1 47 47 VAL HA H 47 4.212 4.212 4.172 0.040 17762 3736 1 7 . 1 1 47 47 VAL CA C 47 59.280 59.280 62.479 -3.199 17762 3737 1 7 . 1 1 47 47 VAL CB C 47 30.025 30.025 31.736 -1.711 17762 3738 1 7 . 1 1 47 47 VAL H H 47 9.333 9.333 8.731 0.602 17762 3739 1 7 . 1 1 48 48 HIS N N 48 125.243 125.243 127.264 -2.021 17762 3740 1 7 . 1 1 48 48 HIS HA H 48 5.314 5.314 5.152 0.162 17762 3741 1 7 . 1 1 48 48 HIS CA C 48 51.979 51.979 54.878 -2.899 17762 3742 1 7 . 1 1 48 48 HIS CB C 48 25.634 25.634 30.047 -4.413 17762 3743 1 7 . 1 1 48 48 HIS H H 48 8.772 8.772 9.138 -0.366 17762 3744 1 7 . 1 1 49 49 GLU N N 49 117.070 117.070 120.447 -3.377 17762 3745 1 7 . 1 1 49 49 GLU HA H 49 4.763 4.763 4.519 0.244 17762 3746 1 7 . 1 1 49 49 GLU CA C 49 51.101 51.101 54.713 -3.612 17762 3747 1 7 . 1 1 49 49 GLU CB C 49 28.269 28.269 33.301 -5.032 17762 3748 1 7 . 1 1 49 49 GLU H H 49 6.558 6.558 8.033 -1.475 17762 3749 1 7 . 1 1 50 50 SER N N 50 117.468 117.468 116.965 0.503 17762 3750 1 7 . 1 1 50 50 SER HA H 50 4.240 4.240 4.492 -0.252 17762 3751 1 7 . 1 1 50 50 SER CA C 50 55.199 55.199 58.307 -3.108 17762 3752 1 7 . 1 1 50 50 SER CB C 50 61.932 61.932 63.196 -1.264 17762 3753 1 7 . 1 1 50 50 SER H H 50 9.589 9.589 8.551 1.038 17762 3754 1 7 . 1 1 51 51 LEU N N 51 124.046 124.046 129.291 -5.245 17762 3755 1 7 . 1 1 51 51 LEU HA H 51 4.088 4.088 3.924 0.164 17762 3756 1 7 . 1 1 51 51 LEU CA C 51 55.785 55.785 58.384 -2.599 17762 3757 1 7 . 1 1 51 51 LEU CB C 51 38.514 38.514 41.998 -3.484 17762 3758 1 7 . 1 1 51 51 LEU H H 51 8.783 8.783 8.771 0.012 17762 3759 1 7 . 1 1 52 52 ALA N N 52 120.494 120.494 118.985 1.509 17762 3760 1 7 . 1 1 52 52 ALA HA H 52 3.959 3.959 3.952 0.007 17762 3761 1 7 . 1 1 52 52 ALA CA C 52 52.858 52.858 54.879 -2.021 17762 3762 1 7 . 1 1 52 52 ALA CB C 52 15.682 15.682 17.775 -2.093 17762 3763 1 7 . 1 1 52 52 ALA H H 52 8.462 8.462 8.009 0.453 17762 3764 1 7 . 1 1 53 53 ASP N N 53 120.265 120.265 119.344 0.921 17762 3765 1 7 . 1 1 53 53 ASP HA H 53 4.372 4.372 4.447 -0.075 17762 3766 1 7 . 1 1 53 53 ASP CA C 53 54.907 54.907 57.367 -2.460 17762 3767 1 7 . 1 1 53 53 ASP CB C 53 37.050 37.050 41.043 -3.993 17762 3768 1 7 . 1 1 53 53 ASP H H 53 7.835 7.835 7.879 -0.044 17762 3769 1 7 . 1 1 54 54 VAL N N 54 121.771 121.771 120.007 1.764 17762 3770 1 7 . 1 1 54 54 VAL HA H 54 3.703 3.703 3.682 0.021 17762 3771 1 7 . 1 1 54 54 VAL CA C 54 64.274 64.274 66.850 -2.576 17762 3772 1 7 . 1 1 54 54 VAL CB C 54 29.147 29.147 31.406 -2.259 17762 3773 1 7 . 1 1 54 54 VAL H H 54 7.879 7.879 7.905 -0.026 17762 3774 1 7 . 1 1 55 55 LYS N N 55 119.973 119.973 119.278 0.695 17762 3775 1 7 . 1 1 55 55 LYS HA H 55 3.641 3.641 3.979 -0.338 17762 3776 1 7 . 1 1 55 55 LYS CA C 55 57.839 57.839 59.131 -1.292 17762 3777 1 7 . 1 1 55 55 LYS CB C 55 29.732 29.732 31.937 -2.205 17762 3778 1 7 . 1 1 55 55 LYS H H 55 9.000 9.000 7.682 1.318 17762 3779 1 7 . 1 1 56 56 ALA N N 56 120.213 120.213 124.010 -3.797 17762 3780 1 7 . 1 1 56 56 ALA HA H 56 4.015 4.015 4.020 -0.005 17762 3781 1 7 . 1 1 56 56 ALA CA C 56 51.394 51.394 55.026 -3.632 17762 3782 1 7 . 1 1 56 56 ALA CB C 56 14.803 14.803 18.191 -3.388 17762 3783 1 7 . 1 1 56 56 ALA H H 56 7.534 7.534 8.140 -0.606 17762 3784 1 7 . 1 1 57 57 VAL N N 57 121.006 121.006 118.322 2.684 17762 3785 1 7 . 1 1 57 57 VAL HA H 57 3.203 3.203 3.736 -0.533 17762 3786 1 7 . 1 1 57 57 VAL CA C 57 63.396 63.396 66.024 -2.628 17762 3787 1 7 . 1 1 57 57 VAL CB C 57 28.561 28.561 30.827 -2.266 17762 3788 1 7 . 1 1 57 57 VAL H H 57 7.575 7.575 8.482 -0.907 17762 3789 1 7 . 1 1 58 58 CYS N N 58 113.037 113.037 116.902 -3.865 17762 3790 1 7 . 1 1 58 58 CYS HA H 58 3.520 3.520 3.823 -0.303 17762 3791 1 7 . 1 1 58 58 CYS CA C 58 51.979 51.979 60.272 -8.293 17762 3792 1 7 . 1 1 58 58 CYS CB C 58 36.465 36.465 25.991 10.474 17762 3793 1 7 . 1 1 58 58 CYS H H 58 6.809 6.809 7.837 -1.028 17762 3794 1 7 . 1 1 59 59 SER N N 59 113.164 113.164 115.634 -2.470 17762 3795 1 7 . 1 1 59 59 SER HA H 59 4.569 4.569 4.321 0.248 17762 3796 1 7 . 1 1 59 59 SER CA C 59 55.785 55.785 59.169 -3.384 17762 3797 1 7 . 1 1 59 59 SER CB C 59 61.054 61.054 62.840 -1.786 17762 3798 1 7 . 1 1 59 59 SER H H 59 7.480 7.480 7.941 -0.461 17762 3799 1 7 . 1 1 60 60 GLN N N 60 124.351 124.351 121.098 3.253 17762 3800 1 7 . 1 1 60 60 GLN HA H 60 4.599 4.599 4.538 0.061 17762 3801 1 7 . 1 1 60 60 GLN CA C 60 52.565 52.565 56.229 -3.664 17762 3802 1 7 . 1 1 60 60 GLN CB C 60 22.414 22.414 31.033 -8.619 17762 3803 1 7 . 1 1 60 60 GLN H H 60 7.702 7.702 7.961 -0.259 17762 3804 1 7 . 1 1 61 61 LYS N N 61 122.353 122.353 122.204 0.149 17762 3805 1 7 . 1 1 61 61 LYS HA H 61 4.261 4.261 4.466 -0.205 17762 3806 1 7 . 1 1 61 61 LYS CA C 61 54.614 54.614 54.915 -0.301 17762 3807 1 7 . 1 1 61 61 LYS CB C 61 31.489 31.489 32.046 -0.557 17762 3808 1 7 . 1 1 61 61 LYS H H 61 7.540 7.540 8.565 -1.025 17762 3809 1 7 . 1 1 62 62 LYS N N 62 129.878 129.878 125.639 4.239 17762 3810 1 7 . 1 1 62 62 LYS HA H 62 4.050 4.050 3.401 0.649 17762 3811 1 7 . 1 1 62 62 LYS CA C 62 54.907 54.907 55.957 -1.050 17762 3812 1 7 . 1 1 62 62 LYS CB C 62 30.318 30.318 31.404 -1.086 17762 3813 1 7 . 1 1 62 62 LYS H H 62 8.408 8.408 7.847 0.561 17762 3814 1 7 . 1 1 63 63 VAL N N 63 121.631 121.631 122.982 -1.351 17762 3815 1 7 . 1 1 63 63 VAL HA H 63 4.516 4.516 4.348 0.168 17762 3816 1 7 . 1 1 63 63 VAL CA C 63 56.663 56.663 59.136 -2.473 17762 3817 1 7 . 1 1 63 63 VAL CB C 63 33.538 33.538 33.748 -0.210 17762 3818 1 7 . 1 1 63 63 VAL H H 63 8.317 8.317 8.357 -0.040 17762 3819 1 7 . 1 1 64 64 THR N N 64 116.885 116.885 118.100 -1.215 17762 3820 1 7 . 1 1 64 64 THR HA H 64 4.296 4.296 4.253 0.043 17762 3821 1 7 . 1 1 64 64 THR CA C 64 60.468 60.468 63.024 -2.556 17762 3822 1 7 . 1 1 64 64 THR CB C 64 67.201 67.201 68.291 -1.090 17762 3823 1 7 . 1 1 64 64 THR H H 64 7.965 7.965 8.145 -0.180 17762 3824 1 7 . 1 1 65 65 CYS N N 65 124.789 124.789 124.835 -0.046 17762 3825 1 7 . 1 1 65 65 CYS HA H 65 4.407 4.407 4.354 0.053 17762 3826 1 7 . 1 1 65 65 CYS CA C 65 51.101 51.101 57.880 -6.779 17762 3827 1 7 . 1 1 65 65 CYS CB C 65 36.465 36.465 28.413 8.052 17762 3828 1 7 . 1 1 65 65 CYS H H 65 8.790 8.790 8.430 0.360 17762 3829 1 7 . 1 1 66 66 LYS N N 66 128.070 128.070 123.305 4.765 17762 3830 1 7 . 1 1 66 66 LYS HA H 66 3.993 3.993 4.160 -0.167 17762 3831 1 7 . 1 1 66 66 LYS CA C 66 56.663 56.663 57.505 -0.842 17762 3832 1 7 . 1 1 66 66 LYS CB C 66 28.854 28.854 30.571 -1.717 17762 3833 1 7 . 1 1 66 66 LYS H H 66 10.959 10.959 8.765 2.194 17762 3834 1 7 . 1 1 67 67 ASP N N 67 117.000 117.000 118.856 -1.856 17762 3835 1 7 . 1 1 67 67 ASP HA H 67 4.459 4.459 4.565 -0.106 17762 3836 1 7 . 1 1 67 67 ASP CA C 67 50.809 50.809 55.190 -4.380 17762 3837 1 7 . 1 1 67 67 ASP CB C 67 37.636 37.636 40.461 -2.825 17762 3838 1 7 . 1 1 67 67 ASP H H 67 8.021 8.021 8.474 -0.453 17762 3839 1 7 . 1 1 68 68 GLY N N 68 108.831 108.831 108.574 0.257 17762 3840 1 7 . 1 1 68 68 GLY CA C 68 42.612 42.612 45.177 -2.565 17762 3841 1 7 . 1 1 68 68 GLY H H 68 8.029 8.029 8.076 -0.047 17762 3842 1 7 . 1 1 69 69 GLN N N 69 120.061 120.061 119.531 0.530 17762 3843 1 7 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.160 0.197 17762 3844 1 7 . 1 1 69 69 GLN CA C 69 54.264 54.264 57.388 -3.124 17762 3845 1 7 . 1 1 69 69 GLN CB C 69 27.683 27.683 29.529 -1.846 17762 3846 1 7 . 1 1 69 69 GLN H H 69 8.115 8.115 9.002 -0.887 17762 3847 1 7 . 1 1 70 70 THR N N 70 112.531 112.531 113.809 -1.278 17762 3848 1 7 . 1 1 70 70 THR HA H 70 4.475 4.475 4.489 -0.014 17762 3849 1 7 . 1 1 70 70 THR CA C 70 58.712 58.712 60.216 -1.504 17762 3850 1 7 . 1 1 70 70 THR CB C 70 67.201 67.201 70.046 -2.845 17762 3851 1 7 . 1 1 70 70 THR H H 70 8.553 8.553 7.887 0.666 17762 3852 1 7 . 1 1 71 71 ASN N N 71 119.619 119.619 123.643 -4.024 17762 3853 1 7 . 1 1 71 71 ASN HA H 71 4.847 4.847 4.710 0.137 17762 3854 1 7 . 1 1 71 71 ASN CA C 71 50.516 50.516 51.829 -1.313 17762 3855 1 7 . 1 1 71 71 ASN CB C 71 35.587 35.587 36.444 -0.857 17762 3856 1 7 . 1 1 71 71 ASN H H 71 8.219 8.219 8.705 -0.486 17762 3857 1 7 . 1 1 72 72 CYS N N 72 118.100 118.100 117.339 0.761 17762 3858 1 7 . 1 1 72 72 CYS HA H 72 5.424 5.424 5.310 0.114 17762 3859 1 7 . 1 1 72 72 CYS CA C 72 56.956 56.956 56.987 -0.031 17762 3860 1 7 . 1 1 72 72 CYS CB C 72 43.198 43.198 28.393 14.805 17762 3861 1 7 . 1 1 72 72 CYS H H 72 7.477 7.477 7.838 -0.361 17762 3862 1 7 . 1 1 73 73 TYR N N 73 119.843 119.843 119.838 0.005 17762 3863 1 7 . 1 1 73 73 TYR HA H 73 5.121 5.121 5.081 0.040 17762 3864 1 7 . 1 1 73 73 TYR CA C 73 55.199 55.199 56.851 -1.652 17762 3865 1 7 . 1 1 73 73 TYR CB C 73 41.441 41.441 41.935 -0.494 17762 3866 1 7 . 1 1 73 73 TYR H H 73 8.983 8.983 9.364 -0.381 17762 3867 1 7 . 1 1 74 74 GLN N N 74 123.174 123.174 124.003 -0.829 17762 3868 1 7 . 1 1 74 74 GLN HA H 74 5.408 5.408 4.882 0.526 17762 3869 1 7 . 1 1 74 74 GLN CA C 74 49.930 49.930 54.414 -4.484 17762 3870 1 7 . 1 1 74 74 GLN H H 74 9.477 9.477 8.883 0.594 17762 3871 1 7 . 1 1 75 75 SER N N 75 122.742 122.742 123.943 -1.201 17762 3872 1 7 . 1 1 75 75 SER HA H 75 4.679 4.679 4.503 0.176 17762 3873 1 7 . 1 1 75 75 SER CA C 75 55.764 55.764 58.955 -3.191 17762 3874 1 7 . 1 1 75 75 SER CB C 75 62.424 62.424 64.154 -1.730 17762 3875 1 7 . 1 1 75 75 SER H H 75 9.286 9.286 8.979 0.307 17762 3876 1 7 . 1 1 76 76 LYS N N 76 127.293 127.293 122.607 4.686 17762 3877 1 7 . 1 1 76 76 LYS HA H 76 4.202 4.202 4.078 0.124 17762 3878 1 7 . 1 1 76 76 LYS CA C 76 56.370 56.370 59.010 -2.640 17762 3879 1 7 . 1 1 76 76 LYS CB C 76 30.318 30.318 32.520 -2.203 17762 3880 1 7 . 1 1 76 76 LYS H H 76 8.938 8.938 8.870 0.068 17762 3881 1 7 . 1 1 77 77 SER N N 77 114.297 114.297 113.469 0.828 17762 3882 1 7 . 1 1 77 77 SER HA H 77 4.888 4.888 4.566 0.322 17762 3883 1 7 . 1 1 77 77 SER CA C 77 53.736 53.736 57.359 -3.623 17762 3884 1 7 . 1 1 77 77 SER CB C 77 62.810 62.810 64.334 -1.524 17762 3885 1 7 . 1 1 77 77 SER H H 77 8.592 8.592 8.046 0.546 17762 3886 1 7 . 1 1 78 78 THR N N 78 113.859 113.859 112.743 1.116 17762 3887 1 7 . 1 1 78 78 THR HA H 78 3.254 3.254 4.204 -0.950 17762 3888 1 7 . 1 1 78 78 THR CA C 78 59.883 59.883 62.391 -2.508 17762 3889 1 7 . 1 1 78 78 THR CB C 78 66.908 66.908 69.143 -2.235 17762 3890 1 7 . 1 1 78 78 THR H H 78 8.134 8.134 8.213 -0.079 17762 3891 1 7 . 1 1 79 79 MET N N 79 121.299 121.299 121.277 0.022 17762 3892 1 7 . 1 1 79 79 MET HA H 79 4.643 4.643 4.767 -0.124 17762 3893 1 7 . 1 1 79 79 MET CA C 79 52.858 52.858 53.889 -1.031 17762 3894 1 7 . 1 1 79 79 MET CB C 79 34.416 34.416 37.313 -2.897 17762 3895 1 7 . 1 1 79 79 MET H H 79 8.508 8.508 8.937 -0.429 17762 3896 1 7 . 1 1 80 80 ARG N N 80 122.767 122.767 123.725 -0.958 17762 3897 1 7 . 1 1 80 80 ARG HA H 80 4.376 4.376 4.437 -0.061 17762 3898 1 7 . 1 1 80 80 ARG CA C 80 54.907 54.907 57.254 -2.346 17762 3899 1 7 . 1 1 80 80 ARG CB C 80 27.391 27.391 29.538 -2.147 17762 3900 1 7 . 1 1 80 80 ARG H H 80 9.508 9.508 8.887 0.621 17762 3901 1 7 . 1 1 81 81 ILE N N 81 120.594 120.594 122.263 -1.669 17762 3902 1 7 . 1 1 81 81 ILE HA H 81 5.284 5.284 5.323 -0.039 17762 3903 1 7 . 1 1 81 81 ILE CA C 81 56.663 56.663 58.578 -1.915 17762 3904 1 7 . 1 1 81 81 ILE CB C 81 39.978 39.978 40.419 -0.441 17762 3905 1 7 . 1 1 81 81 ILE H H 81 8.645 8.645 9.265 -0.620 17762 3906 1 7 . 1 1 82 82 THR N N 82 119.200 119.200 120.036 -0.836 17762 3907 1 7 . 1 1 82 82 THR HA H 82 5.020 5.020 4.554 0.466 17762 3908 1 7 . 1 1 82 82 THR CA C 82 60.176 60.176 60.541 -0.365 17762 3909 1 7 . 1 1 82 82 THR CB C 82 68.372 68.372 67.431 0.941 17762 3910 1 7 . 1 1 82 82 THR H H 82 9.256 9.256 9.076 0.180 17762 3911 1 7 . 1 1 83 83 ASP N N 83 127.841 127.841 127.047 0.794 17762 3912 1 7 . 1 1 83 83 ASP HA H 83 5.029 5.029 4.547 0.482 17762 3913 1 7 . 1 1 83 83 ASP CA C 83 51.101 51.101 54.654 -3.553 17762 3914 1 7 . 1 1 83 83 ASP CB C 83 40.563 40.563 41.291 -0.728 17762 3915 1 7 . 1 1 83 83 ASP H H 83 9.241 9.241 8.701 0.540 17762 3916 1 7 . 1 1 84 84 CYS N N 84 122.123 122.123 127.306 -5.183 17762 3917 1 7 . 1 1 84 84 CYS HA H 84 5.940 5.940 4.651 1.290 17762 3918 1 7 . 1 1 84 84 CYS CA C 84 49.345 49.345 57.533 -8.188 17762 3919 1 7 . 1 1 84 84 CYS CB C 84 36.465 36.465 27.293 9.172 17762 3920 1 7 . 1 1 84 84 CYS H H 84 8.808 8.808 8.683 0.125 17762 3921 1 7 . 1 1 85 85 ARG N N 85 122.200 122.200 127.930 -5.730 17762 3922 1 7 . 1 1 85 85 ARG HA H 85 5.412 5.412 5.239 0.173 17762 3923 1 7 . 1 1 85 85 ARG CA C 85 52.272 52.272 54.563 -2.291 17762 3924 1 7 . 1 1 85 85 ARG CB C 85 30.903 30.903 35.105 -4.202 17762 3925 1 7 . 1 1 85 85 ARG H H 85 8.204 8.204 9.169 -0.965 17762 3926 1 7 . 1 1 86 86 GLU N N 86 128.674 128.674 126.468 2.206 17762 3927 1 7 . 1 1 86 86 GLU HA H 86 4.288 4.288 4.696 -0.408 17762 3928 1 7 . 1 1 86 86 GLU CA C 86 55.199 55.199 56.494 -1.295 17762 3929 1 7 . 1 1 86 86 GLU CB C 86 29.732 29.732 30.569 -0.837 17762 3930 1 7 . 1 1 86 86 GLU H H 86 8.762 8.762 8.522 0.240 17762 3931 1 7 . 1 1 87 87 THR N N 87 115.660 115.660 116.210 -0.550 17762 3932 1 7 . 1 1 87 87 THR HA H 87 4.507 4.507 4.334 0.173 17762 3933 1 7 . 1 1 87 87 THR CA C 87 58.127 58.127 61.487 -3.360 17762 3934 1 7 . 1 1 87 87 THR CB C 87 68.665 68.665 69.553 -0.888 17762 3935 1 7 . 1 1 87 87 THR H H 87 8.118 8.118 8.937 -0.819 17762 3936 1 7 . 1 1 88 88 GLY N N 88 107.768 107.768 108.424 -0.656 17762 3937 1 7 . 1 1 88 88 GLY CA C 88 43.490 43.490 45.080 -1.590 17762 3938 1 7 . 1 1 88 88 GLY H H 88 8.774 8.774 8.673 0.101 17762 3939 1 7 . 1 1 89 89 SER N N 89 112.931 112.931 114.241 -1.310 17762 3940 1 7 . 1 1 89 89 SER HA H 89 4.503 4.503 4.442 0.061 17762 3941 1 7 . 1 1 89 89 SER CA C 89 55.199 55.199 57.853 -2.654 17762 3942 1 7 . 1 1 89 89 SER CB C 89 61.054 61.054 64.095 -3.041 17762 3943 1 7 . 1 1 89 89 SER H H 89 7.597 7.597 8.300 -0.703 17762 3944 1 7 . 1 1 90 90 SER N N 90 118.245 118.245 118.779 -0.534 17762 3945 1 7 . 1 1 90 90 SER HA H 90 3.943 3.943 4.399 -0.456 17762 3946 1 7 . 1 1 90 90 SER CA C 90 56.370 56.370 58.727 -2.357 17762 3947 1 7 . 1 1 90 90 SER CB C 90 60.468 60.468 63.855 -3.388 17762 3948 1 7 . 1 1 90 90 SER H H 90 6.989 6.989 7.576 -0.587 17762 3949 1 7 . 1 1 91 91 LYS N N 91 129.777 129.777 124.900 4.877 17762 3950 1 7 . 1 1 91 91 LYS HA H 91 4.431 4.431 4.497 -0.066 17762 3951 1 7 . 1 1 91 91 LYS CA C 91 53.443 53.443 55.733 -2.290 17762 3952 1 7 . 1 1 91 91 LYS CB C 91 31.489 31.489 33.639 -2.150 17762 3953 1 7 . 1 1 91 91 LYS H H 91 7.527 7.527 8.786 -1.259 17762 3954 1 7 . 1 1 92 92 TYR N N 92 131.912 131.912 124.455 7.457 17762 3955 1 7 . 1 1 92 92 TYR HA H 92 3.718 3.718 4.357 -0.639 17762 3956 1 7 . 1 1 92 92 TYR CA C 92 56.078 56.078 57.523 -1.445 17762 3957 1 7 . 1 1 92 92 TYR CB C 92 35.880 35.880 38.537 -2.657 17762 3958 1 7 . 1 1 92 92 TYR H H 92 9.290 9.290 8.508 0.782 17762 3959 1 7 . 1 1 93 93 PRO HA H 93 3.028 3.028 3.442 -0.414 17762 3960 1 7 . 1 1 93 93 PRO CA C 93 61.347 61.347 63.153 -1.806 17762 3961 1 7 . 1 1 93 93 PRO CB C 93 31.196 31.196 32.452 -1.256 17762 3962 1 7 . 1 1 94 94 ASN N N 94 130.934 130.934 119.994 10.940 17762 3963 1 7 . 1 1 94 94 ASN HA H 94 4.943 4.943 4.660 0.283 17762 3964 1 7 . 1 1 94 94 ASN CA C 94 49.630 49.630 53.341 -3.711 17762 3965 1 7 . 1 1 94 94 ASN CB C 94 35.001 35.001 37.962 -2.961 17762 3966 1 7 . 1 1 94 94 ASN H H 94 8.823 8.823 8.277 0.546 17762 3967 1 7 . 1 1 95 95 CYS N N 95 122.402 122.402 119.697 2.705 17762 3968 1 7 . 1 1 95 95 CYS HA H 95 4.840 4.840 4.453 0.387 17762 3969 1 7 . 1 1 95 95 CYS CA C 95 50.516 50.516 59.375 -8.859 17762 3970 1 7 . 1 1 95 95 CYS CB C 95 35.880 35.880 27.423 8.457 17762 3971 1 7 . 1 1 95 95 CYS H H 95 7.687 7.687 8.362 -0.675 17762 3972 1 7 . 1 1 96 96 ALA N N 96 129.346 129.346 129.865 -0.519 17762 3973 1 7 . 1 1 96 96 ALA HA H 96 4.746 4.746 4.588 0.158 17762 3974 1 7 . 1 1 96 96 ALA CA C 96 49.052 49.052 51.161 -2.109 17762 3975 1 7 . 1 1 96 96 ALA CB C 96 19.194 19.194 18.337 0.857 17762 3976 1 7 . 1 1 96 96 ALA H H 96 8.634 8.634 8.564 0.070 17762 3977 1 7 . 1 1 97 97 TYR N N 97 118.353 118.353 122.261 -3.908 17762 3978 1 7 . 1 1 97 97 TYR HA H 97 4.904 4.904 5.179 -0.275 17762 3979 1 7 . 1 1 97 97 TYR CA C 97 55.785 55.785 58.359 -2.574 17762 3980 1 7 . 1 1 97 97 TYR CB C 97 41.441 41.441 40.659 0.782 17762 3981 1 7 . 1 1 97 97 TYR H H 97 9.368 9.368 7.943 1.425 17762 3982 1 7 . 1 1 98 98 LYS N N 98 125.559 125.559 121.181 4.378 17762 3983 1 7 . 1 1 98 98 LYS HA H 98 4.743 4.743 4.647 0.096 17762 3984 1 7 . 1 1 98 98 LYS CA C 98 52.565 52.565 54.772 -2.207 17762 3985 1 7 . 1 1 98 98 LYS CB C 98 31.489 31.489 35.486 -3.998 17762 3986 1 7 . 1 1 98 98 LYS H H 98 9.427 9.427 9.274 0.153 17762 3987 1 7 . 1 1 99 99 THR N N 99 126.667 126.667 121.917 4.750 17762 3988 1 7 . 1 1 99 99 THR HA H 99 5.243 5.243 4.757 0.486 17762 3989 1 7 . 1 1 99 99 THR CA C 99 60.176 60.176 61.777 -1.601 17762 3990 1 7 . 1 1 99 99 THR CB C 99 68.665 68.665 69.889 -1.224 17762 3991 1 7 . 1 1 99 99 THR H H 99 9.055 9.055 8.396 0.659 17762 3992 1 7 . 1 1 100 100 THR N N 100 124.517 124.517 122.586 1.931 17762 3993 1 7 . 1 1 100 100 THR HA H 100 4.637 4.637 4.442 0.195 17762 3994 1 7 . 1 1 100 100 THR CA C 100 59.883 59.883 61.217 -1.334 17762 3995 1 7 . 1 1 100 100 THR CB C 100 68.372 68.372 69.685 -1.313 17762 3996 1 7 . 1 1 100 100 THR H H 100 8.855 8.855 8.608 0.247 17762 3997 1 7 . 1 1 101 101 GLN N N 101 128.586 128.586 129.059 -0.473 17762 3998 1 7 . 1 1 101 101 GLN HA H 101 5.180 5.180 4.495 0.685 17762 3999 1 7 . 1 1 101 101 GLN CA C 101 53.150 53.150 56.164 -3.014 17762 4000 1 7 . 1 1 101 101 GLN CB C 101 27.098 27.098 28.451 -1.353 17762 4001 1 7 . 1 1 101 101 GLN H H 101 8.823 8.823 8.706 0.117 17762 4002 1 7 . 1 1 102 102 VAL N N 102 121.495 121.495 122.560 -1.065 17762 4003 1 7 . 1 1 102 102 VAL HA H 102 4.639 4.639 4.653 -0.014 17762 4004 1 7 . 1 1 102 102 VAL CA C 102 57.834 57.834 59.480 -1.645 17762 4005 1 7 . 1 1 102 102 VAL CB C 102 34.123 34.123 35.291 -1.168 17762 4006 1 7 . 1 1 102 102 VAL H H 102 8.643 8.643 8.981 -0.338 17762 4007 1 7 . 1 1 103 103 GLU N N 103 122.031 122.031 119.378 2.653 17762 4008 1 7 . 1 1 103 103 GLU HA H 103 5.400 5.400 5.239 0.161 17762 4009 1 7 . 1 1 103 103 GLU CA C 103 52.565 52.565 54.216 -1.651 17762 4010 1 7 . 1 1 103 103 GLU CB C 103 28.269 28.269 29.627 -1.358 17762 4011 1 7 . 1 1 103 103 GLU H H 103 8.068 8.068 8.450 -0.382 17762 4012 1 7 . 1 1 104 104 LYS N N 104 122.283 122.283 122.835 -0.552 17762 4013 1 7 . 1 1 104 104 LYS HA H 104 4.795 4.795 4.626 0.169 17762 4014 1 7 . 1 1 104 104 LYS CA C 104 51.979 51.979 53.994 -2.015 17762 4015 1 7 . 1 1 104 104 LYS CB C 104 37.050 37.050 36.504 0.546 17762 4016 1 7 . 1 1 104 104 LYS H H 104 8.336 8.336 8.175 0.161 17762 4017 1 7 . 1 1 105 105 HIS N N 105 119.366 119.366 118.966 0.400 17762 4018 1 7 . 1 1 105 105 HIS HA H 105 4.407 4.407 4.826 -0.419 17762 4019 1 7 . 1 1 105 105 HIS CA C 105 54.321 54.321 57.444 -3.123 17762 4020 1 7 . 1 1 105 105 HIS CB C 105 25.341 25.341 29.737 -4.396 17762 4021 1 7 . 1 1 105 105 HIS H H 105 9.202 9.202 8.498 0.704 17762 4022 1 7 . 1 1 106 106 ILE N N 106 114.175 114.175 118.149 -3.974 17762 4023 1 7 . 1 1 106 106 ILE HA H 106 4.997 4.997 4.506 0.491 17762 4024 1 7 . 1 1 106 106 ILE CA C 106 57.541 57.541 61.055 -3.514 17762 4025 1 7 . 1 1 106 106 ILE CB C 106 38.807 38.807 38.773 0.034 17762 4026 1 7 . 1 1 106 106 ILE H H 106 8.447 8.447 8.978 -0.531 17762 4027 1 7 . 1 1 107 107 ILE N N 107 122.400 122.400 126.500 -4.100 17762 4028 1 7 . 1 1 107 107 ILE HA H 107 5.296 5.296 5.120 0.176 17762 4029 1 7 . 1 1 107 107 ILE CA C 107 57.541 57.541 58.557 -1.016 17762 4030 1 7 . 1 1 107 107 ILE CB C 107 36.758 36.758 36.829 -0.071 17762 4031 1 7 . 1 1 107 107 ILE H H 107 8.314 8.314 9.114 -0.800 17762 4032 1 7 . 1 1 108 108 VAL N N 108 118.187 118.187 123.298 -5.111 17762 4033 1 7 . 1 1 108 108 VAL HA H 108 4.888 4.888 4.788 0.100 17762 4034 1 7 . 1 1 108 108 VAL CA C 108 55.199 55.199 59.000 -3.801 17762 4035 1 7 . 1 1 108 108 VAL CB C 108 32.074 32.074 35.185 -3.111 17762 4036 1 7 . 1 1 108 108 VAL H H 108 8.907 8.907 9.109 -0.202 17762 4037 1 7 . 1 1 109 109 ALA N N 109 122.660 122.660 123.648 -0.988 17762 4038 1 7 . 1 1 109 109 ALA HA H 109 5.296 5.296 4.667 0.629 17762 4039 1 7 . 1 1 109 109 ALA CA C 109 48.174 48.174 50.118 -1.944 17762 4040 1 7 . 1 1 109 109 ALA CB C 109 19.194 19.194 19.538 -0.344 17762 4041 1 7 . 1 1 109 109 ALA H H 109 8.706 8.706 8.700 0.006 17762 4042 1 7 . 1 1 110 110 CYS N N 110 120.404 120.404 124.178 -3.774 17762 4043 1 7 . 1 1 110 110 CYS HA H 110 5.680 5.680 4.872 0.808 17762 4044 1 7 . 1 1 110 110 CYS CA C 110 53.443 53.443 58.166 -4.723 17762 4045 1 7 . 1 1 110 110 CYS CB C 110 47.003 47.003 28.381 18.622 17762 4046 1 7 . 1 1 110 110 CYS H H 110 8.797 8.797 8.078 0.719 17762 4047 1 7 . 1 1 111 111 GLY N N 111 111.123 111.123 111.825 -0.702 17762 4048 1 7 . 1 1 111 111 GLY CA C 111 42.905 42.905 45.487 -2.582 17762 4049 1 7 . 1 1 111 111 GLY H H 111 9.107 9.107 8.763 0.344 17762 4050 1 7 . 1 1 112 112 GLY N N 112 107.554 107.554 107.341 0.213 17762 4051 1 7 . 1 1 112 112 GLY CA C 112 40.856 40.856 45.152 -4.296 17762 4052 1 7 . 1 1 112 112 GLY H H 112 8.206 8.206 8.269 -0.063 17762 4053 1 7 . 1 1 113 113 LYS N N 113 118.578 118.578 120.574 -1.996 17762 4054 1 7 . 1 1 113 113 LYS HA H 113 4.384 4.384 4.076 0.308 17762 4055 1 7 . 1 1 113 113 LYS CA C 113 51.100 51.100 55.943 -4.843 17762 4056 1 7 . 1 1 113 113 LYS CB C 113 32.367 32.367 31.844 0.523 17762 4057 1 7 . 1 1 113 113 LYS H H 113 7.774 7.774 8.101 -0.327 17762 4058 1 7 . 1 1 114 114 PRO HA H 114 4.615 4.615 4.370 0.245 17762 4059 1 7 . 1 1 114 114 PRO C C 114 3.597 3.597 176.528 -172.931 17762 4060 1 7 . 1 1 114 114 PRO CA C 114 60.448 60.448 62.176 -1.728 17762 4061 1 7 . 1 1 114 114 PRO CB C 114 31.781 31.781 32.568 -0.787 17762 4062 1 7 . 1 1 115 115 SER N N 115 116.201 116.201 116.334 -0.133 17762 4063 1 7 . 1 1 115 115 SER HA H 115 3.954 3.954 4.244 -0.290 17762 4064 1 7 . 1 1 115 115 SER CA C 115 56.078 56.078 58.973 -2.895 17762 4065 1 7 . 1 1 115 115 SER CB C 115 60.761 60.761 62.983 -2.222 17762 4066 1 7 . 1 1 115 115 SER H H 115 8.201 8.201 8.307 -0.106 17762 4067 1 7 . 1 1 116 116 VAL N N 116 120.540 120.540 121.128 -0.588 17762 4068 1 7 . 1 1 116 116 VAL HA H 116 4.858 4.858 4.723 0.135 17762 4069 1 7 . 1 1 116 116 VAL CA C 116 56.078 56.078 57.853 -1.775 17762 4070 1 7 . 1 1 116 116 VAL CB C 116 31.196 31.196 33.898 -2.702 17762 4071 1 7 . 1 1 116 116 VAL H H 116 8.511 8.511 8.811 -0.300 17762 4072 1 7 . 1 1 117 117 PRO HA H 117 4.508 4.508 4.877 -0.369 17762 4073 1 7 . 1 1 117 117 PRO CA C 117 60.468 60.468 62.724 -2.256 17762 4074 1 7 . 1 1 117 117 PRO CB C 117 27.391 27.391 32.129 -4.738 17762 4075 1 7 . 1 1 118 118 VAL N N 118 111.972 111.972 115.596 -3.624 17762 4076 1 7 . 1 1 118 118 VAL HA H 118 4.532 4.532 4.327 0.205 17762 4077 1 7 . 1 1 118 118 VAL CA C 118 58.419 58.419 61.634 -3.215 17762 4078 1 7 . 1 1 118 118 VAL CB C 118 31.781 31.781 33.145 -1.364 17762 4079 1 7 . 1 1 118 118 VAL H H 118 8.927 8.927 8.740 0.187 17762 4080 1 7 . 1 1 119 119 HIS N N 119 121.264 121.264 116.813 4.451 17762 4081 1 7 . 1 1 119 119 HIS HA H 119 5.324 5.324 3.554 1.770 17762 4082 1 7 . 1 1 119 119 HIS CA C 119 53.443 53.443 54.525 -1.082 17762 4083 1 7 . 1 1 119 119 HIS CB C 119 30.025 30.025 33.718 -3.693 17762 4084 1 7 . 1 1 119 119 HIS H H 119 7.616 7.616 7.167 0.450 17762 4085 1 7 . 1 1 120 120 PHE HA H 120 4.283 4.283 4.567 -0.284 17762 4086 1 7 . 1 1 120 120 PHE CA C 120 55.785 55.785 57.136 -1.351 17762 4087 1 7 . 1 1 120 120 PHE CB C 120 36.172 36.172 40.395 -4.223 17762 4088 1 7 . 1 1 121 121 ASP N N 121 131.399 131.399 125.761 5.638 17762 4089 1 7 . 1 1 121 121 ASP HA H 121 4.668 4.668 4.579 0.089 17762 4090 1 7 . 1 1 121 121 ASP CA C 121 54.614 54.614 54.416 0.198 17762 4091 1 7 . 1 1 121 121 ASP CB C 121 44.076 44.076 44.026 0.050 17762 4092 1 7 . 1 1 121 121 ASP H H 121 8.644 8.644 8.449 0.195 17762 4093 1 7 . 1 1 122 122 ALA N N 122 116.961 116.961 118.368 -1.407 17762 4094 1 7 . 1 1 122 122 ALA HA H 122 4.491 4.491 4.025 0.466 17762 4095 1 7 . 1 1 122 122 ALA CA C 122 49.345 49.345 51.646 -2.301 17762 4096 1 7 . 1 1 122 122 ALA CB C 122 19.194 19.194 20.828 -1.634 17762 4097 1 7 . 1 1 122 122 ALA H H 122 7.419 7.419 7.290 0.129 17762 4098 1 7 . 1 1 123 123 SER N N 123 112.579 112.579 115.388 -2.809 17762 4099 1 7 . 1 1 123 123 SER HA H 123 5.325 5.325 5.568 -0.243 17762 4100 1 7 . 1 1 123 123 SER CA C 123 54.321 54.321 57.502 -3.181 17762 4101 1 7 . 1 1 123 123 SER CB C 123 63.981 63.981 66.312 -2.331 17762 4102 1 7 . 1 1 123 123 SER H H 123 8.092 8.092 8.425 -0.333 17762 4103 1 8 . 1 1 2 2 GLU N N 2 126.119 126.119 119.090 7.029 17762 4104 1 8 . 1 1 2 2 GLU HA H 2 4.370 4.370 4.596 -0.226 17762 4105 1 8 . 1 1 2 2 GLU CA C 2 53.440 53.440 55.529 -2.089 17762 4106 1 8 . 1 1 2 2 GLU CB C 2 29.147 29.147 30.619 -1.472 17762 4107 1 8 . 1 1 2 2 GLU H H 2 8.448 8.448 8.290 0.158 17762 4108 1 8 . 1 1 3 3 SER N N 3 124.530 124.530 116.058 8.472 17762 4109 1 8 . 1 1 3 3 SER HA H 3 4.500 4.500 4.647 -0.147 17762 4110 1 8 . 1 1 3 3 SER CA C 3 54.907 54.907 58.303 -3.396 17762 4111 1 8 . 1 1 3 3 SER CB C 3 62.511 62.511 63.289 -0.778 17762 4112 1 8 . 1 1 3 3 SER H H 3 8.755 8.755 8.302 0.453 17762 4113 1 8 . 1 1 4 4 ALA N N 4 125.341 125.341 125.827 -0.486 17762 4114 1 8 . 1 1 4 4 ALA HA H 4 4.216 4.216 3.933 0.283 17762 4115 1 8 . 1 1 4 4 ALA CA C 4 52.858 52.858 54.505 -1.647 17762 4116 1 8 . 1 1 4 4 ALA CB C 4 15.389 15.389 17.225 -1.836 17762 4117 1 8 . 1 1 4 4 ALA H H 4 8.961 8.961 8.327 0.634 17762 4118 1 8 . 1 1 5 5 ALA N N 5 121.896 121.896 122.722 -0.826 17762 4119 1 8 . 1 1 5 5 ALA HA H 5 4.375 4.375 4.264 0.111 17762 4120 1 8 . 1 1 5 5 ALA CA C 5 52.565 52.565 55.542 -2.977 17762 4121 1 8 . 1 1 5 5 ALA CB C 5 15.974 15.974 18.728 -2.754 17762 4122 1 8 . 1 1 5 5 ALA H H 5 8.659 8.659 8.263 0.396 17762 4123 1 8 . 1 1 6 6 ALA N N 6 123.734 123.734 120.025 3.709 17762 4124 1 8 . 1 1 6 6 ALA HA H 6 4.216 4.216 4.203 0.013 17762 4125 1 8 . 1 1 6 6 ALA CA C 6 52.272 52.272 55.121 -2.849 17762 4126 1 8 . 1 1 6 6 ALA CB C 6 15.389 15.389 18.337 -2.949 17762 4127 1 8 . 1 1 6 6 ALA H H 6 8.009 8.009 8.468 -0.459 17762 4128 1 8 . 1 1 7 7 LYS N N 7 123.118 123.118 119.655 3.463 17762 4129 1 8 . 1 1 7 7 LYS HA H 7 4.025 4.025 4.070 -0.045 17762 4130 1 8 . 1 1 7 7 LYS CA C 7 57.834 57.834 59.187 -1.353 17762 4131 1 8 . 1 1 7 7 LYS CB C 7 29.732 29.732 32.652 -2.920 17762 4132 1 8 . 1 1 7 7 LYS H H 7 8.737 8.737 7.612 1.125 17762 4133 1 8 . 1 1 8 8 PHE N N 8 120.604 120.604 120.962 -0.358 17762 4134 1 8 . 1 1 8 8 PHE HA H 8 4.388 4.388 4.083 0.305 17762 4135 1 8 . 1 1 8 8 PHE CA C 8 59.298 59.298 60.920 -1.622 17762 4136 1 8 . 1 1 8 8 PHE CB C 8 36.465 36.465 38.553 -2.088 17762 4137 1 8 . 1 1 8 8 PHE H H 8 8.058 8.058 8.562 -0.504 17762 4138 1 8 . 1 1 9 9 GLU N N 9 119.978 119.978 119.782 0.196 17762 4139 1 8 . 1 1 9 9 GLU HA H 9 3.742 3.742 3.391 0.351 17762 4140 1 8 . 1 1 9 9 GLU CA C 9 58.127 58.127 59.752 -1.625 17762 4141 1 8 . 1 1 9 9 GLU CB C 9 35.001 35.001 29.257 5.744 17762 4142 1 8 . 1 1 9 9 GLU H H 9 7.922 7.922 8.490 -0.568 17762 4143 1 8 . 1 1 10 10 ARG N N 10 120.914 120.914 116.995 3.919 17762 4144 1 8 . 1 1 10 10 ARG HA H 10 4.197 4.197 4.090 0.107 17762 4145 1 8 . 1 1 10 10 ARG CA C 10 56.663 56.663 58.054 -1.391 17762 4146 1 8 . 1 1 10 10 ARG CB C 10 27.683 27.683 30.152 -2.469 17762 4147 1 8 . 1 1 10 10 ARG H H 10 8.323 8.323 7.942 0.381 17762 4148 1 8 . 1 1 11 11 GLN N N 11 112.201 112.201 114.715 -2.514 17762 4149 1 8 . 1 1 11 11 GLN HA H 11 3.787 3.787 4.003 -0.216 17762 4150 1 8 . 1 1 11 11 GLN CA C 11 55.492 55.492 57.816 -2.324 17762 4151 1 8 . 1 1 11 11 GLN CB C 11 26.805 26.805 29.256 -2.451 17762 4152 1 8 . 1 1 11 11 GLN H H 11 8.425 8.425 7.885 0.540 17762 4153 1 8 . 1 1 12 12 HIS N N 12 106.607 106.607 114.660 -8.053 17762 4154 1 8 . 1 1 12 12 HIS HA H 12 4.943 4.943 4.527 0.416 17762 4155 1 8 . 1 1 12 12 HIS CA C 12 52.272 52.272 55.947 -3.675 17762 4156 1 8 . 1 1 12 12 HIS CB C 12 27.680 27.680 32.131 -4.451 17762 4157 1 8 . 1 1 12 12 HIS H H 12 7.708 7.708 7.965 -0.257 17762 4158 1 8 . 1 1 13 13 MET N N 13 117.217 117.217 123.917 -6.700 17762 4159 1 8 . 1 1 13 13 MET HA H 13 5.460 5.460 4.318 1.142 17762 4160 1 8 . 1 1 13 13 MET CA C 13 50.516 50.516 54.281 -3.764 17762 4161 1 8 . 1 1 13 13 MET CB C 13 27.098 27.098 31.935 -4.837 17762 4162 1 8 . 1 1 13 13 MET H H 13 8.037 8.037 7.352 0.685 17762 4163 1 8 . 1 1 14 14 ASP N N 14 123.910 123.910 126.898 -2.988 17762 4164 1 8 . 1 1 14 14 ASP HA H 14 5.024 5.024 4.618 0.406 17762 4165 1 8 . 1 1 14 14 ASP CA C 14 51.101 51.101 53.815 -2.714 17762 4166 1 8 . 1 1 14 14 ASP CB C 14 37.636 37.636 44.472 -6.836 17762 4167 1 8 . 1 1 14 14 ASP H H 14 8.805 8.805 8.571 0.234 17762 4168 1 8 . 1 1 15 15 SER N N 15 121.832 121.832 118.263 3.569 17762 4169 1 8 . 1 1 15 15 SER HA H 15 4.202 4.202 3.974 0.228 17762 4170 1 8 . 1 1 15 15 SER CA C 15 58.127 58.127 57.266 0.861 17762 4171 1 8 . 1 1 15 15 SER CB C 15 61.347 61.347 63.701 -2.354 17762 4172 1 8 . 1 1 15 15 SER H H 15 8.943 8.943 8.273 0.670 17762 4173 1 8 . 1 1 16 16 GLY N N 16 111.703 111.703 111.071 0.632 17762 4174 1 8 . 1 1 16 16 GLY CA C 16 42.905 42.905 44.951 -2.046 17762 4175 1 8 . 1 1 16 16 GLY H H 16 8.586 8.586 7.169 1.417 17762 4176 1 8 . 1 1 17 17 ASN N N 17 119.334 119.334 118.611 0.723 17762 4177 1 8 . 1 1 17 17 ASN HA H 17 4.660 4.660 5.197 -0.537 17762 4178 1 8 . 1 1 17 17 ASN CA C 17 50.223 50.223 52.986 -2.763 17762 4179 1 8 . 1 1 17 17 ASN CB C 17 37.346 37.346 40.516 -3.170 17762 4180 1 8 . 1 1 17 17 ASN H H 17 7.983 7.983 8.566 -0.584 17762 4181 1 8 . 1 1 18 18 SER N N 18 117.557 117.557 120.241 -2.684 17762 4182 1 8 . 1 1 18 18 SER HA H 18 4.187 4.187 4.946 -0.759 17762 4183 1 8 . 1 1 18 18 SER CA C 18 53.443 53.443 56.676 -3.233 17762 4184 1 8 . 1 1 18 18 SER CB C 18 60.468 60.468 64.197 -3.729 17762 4185 1 8 . 1 1 18 18 SER H H 18 8.291 8.291 8.566 -0.275 17762 4186 1 8 . 1 1 19 19 PRO HA H 19 4.204 4.204 4.719 -0.515 17762 4187 1 8 . 1 1 19 19 PRO CA C 19 60.468 60.468 63.552 -3.084 17762 4188 1 8 . 1 1 19 19 PRO CB C 19 29.147 29.147 32.255 -3.108 17762 4189 1 8 . 1 1 20 20 SER N N 20 115.589 115.589 114.289 1.300 17762 4190 1 8 . 1 1 20 20 SER HA H 20 4.370 4.370 4.069 0.301 17762 4191 1 8 . 1 1 20 20 SER CA C 20 54.907 54.907 59.071 -4.164 17762 4192 1 8 . 1 1 20 20 SER CB C 20 61.347 61.347 62.757 -1.410 17762 4193 1 8 . 1 1 20 20 SER H H 20 8.118 8.118 8.660 -0.542 17762 4194 1 8 . 1 1 21 21 SER N N 21 118.787 118.787 116.210 2.577 17762 4195 1 8 . 1 1 21 21 SER HA H 21 4.398 4.398 4.314 0.084 17762 4196 1 8 . 1 1 21 21 SER CA C 21 56.370 56.370 58.910 -2.539 17762 4197 1 8 . 1 1 21 21 SER CB C 21 61.639 61.639 63.265 -1.626 17762 4198 1 8 . 1 1 21 21 SER H H 21 8.406 8.406 7.628 0.778 17762 4199 1 8 . 1 1 22 22 SER N N 22 116.967 116.967 121.166 -4.199 17762 4200 1 8 . 1 1 22 22 SER HA H 22 4.579 4.579 4.730 -0.151 17762 4201 1 8 . 1 1 22 22 SER CA C 22 56.076 56.076 58.860 -2.784 17762 4202 1 8 . 1 1 22 22 SER CB C 22 61.054 61.054 64.513 -3.459 17762 4203 1 8 . 1 1 22 22 SER H H 22 8.278 8.278 8.626 -0.348 17762 4204 1 8 . 1 1 23 23 SER N N 23 119.166 119.166 119.362 -0.196 17762 4205 1 8 . 1 1 23 23 SER HA H 23 4.520 4.520 4.096 0.424 17762 4206 1 8 . 1 1 23 23 SER CA C 23 57.956 57.956 61.169 -3.212 17762 4207 1 8 . 1 1 23 23 SER CB C 23 61.639 61.639 62.873 -1.234 17762 4208 1 8 . 1 1 23 23 SER H H 23 8.376 8.376 8.803 -0.427 17762 4209 1 8 . 1 1 24 24 ASN N N 24 120.511 120.511 122.464 -1.953 17762 4210 1 8 . 1 1 24 24 ASN HA H 24 4.940 4.940 4.288 0.652 17762 4211 1 8 . 1 1 24 24 ASN CA C 24 50.516 50.516 55.949 -5.433 17762 4212 1 8 . 1 1 24 24 ASN CB C 24 36.758 36.758 37.504 -0.746 17762 4213 1 8 . 1 1 24 24 ASN H H 24 8.483 8.483 8.069 0.414 17762 4214 1 8 . 1 1 25 25 TYR N N 25 121.549 121.549 119.252 2.297 17762 4215 1 8 . 1 1 25 25 TYR HA H 25 3.941 3.941 4.314 -0.373 17762 4216 1 8 . 1 1 25 25 TYR CA C 25 59.883 59.883 61.518 -1.635 17762 4217 1 8 . 1 1 25 25 TYR CB C 25 36.465 36.465 37.594 -1.129 17762 4218 1 8 . 1 1 25 25 TYR H H 25 7.765 7.765 7.933 -0.168 17762 4219 1 8 . 1 1 26 26 CYS N N 26 115.301 115.301 119.063 -3.762 17762 4220 1 8 . 1 1 26 26 CYS HA H 26 3.784 3.784 3.938 -0.154 17762 4221 1 8 . 1 1 26 26 CYS CA C 26 59.005 59.005 63.791 -4.786 17762 4222 1 8 . 1 1 26 26 CYS CB C 26 37.636 37.636 26.111 11.525 17762 4223 1 8 . 1 1 26 26 CYS H H 26 7.800 7.800 7.835 -0.035 17762 4224 1 8 . 1 1 27 27 ASN N N 27 120.386 120.386 117.960 2.426 17762 4225 1 8 . 1 1 27 27 ASN HA H 27 4.376 4.376 4.446 -0.070 17762 4226 1 8 . 1 1 27 27 ASN CA C 27 53.736 53.736 56.573 -2.837 17762 4227 1 8 . 1 1 27 27 ASN CB C 27 34.416 34.416 38.449 -4.033 17762 4228 1 8 . 1 1 27 27 ASN H H 27 7.774 7.774 8.168 -0.394 17762 4229 1 8 . 1 1 28 28 LEU N N 28 120.114 120.114 123.213 -3.099 17762 4230 1 8 . 1 1 28 28 LEU HA H 28 4.085 4.085 4.010 0.075 17762 4231 1 8 . 1 1 28 28 LEU CA C 28 55.199 55.199 58.464 -3.265 17762 4232 1 8 . 1 1 28 28 LEU CB C 28 39.978 39.978 41.886 -1.908 17762 4233 1 8 . 1 1 28 28 LEU H H 28 7.434 7.434 8.793 -1.359 17762 4234 1 8 . 1 1 29 29 MET N N 29 118.101 118.101 118.221 -0.120 17762 4235 1 8 . 1 1 29 29 MET HA H 29 4.189 4.189 3.944 0.245 17762 4236 1 8 . 1 1 29 29 MET CA C 29 53.443 53.443 59.096 -5.653 17762 4237 1 8 . 1 1 29 29 MET CB C 29 28.269 28.269 32.486 -4.217 17762 4238 1 8 . 1 1 29 29 MET H H 29 8.474 8.474 8.392 0.082 17762 4239 1 8 . 1 1 30 30 MET N N 30 116.980 116.980 118.908 -1.928 17762 4240 1 8 . 1 1 30 30 MET HA H 30 4.308 4.308 3.978 0.330 17762 4241 1 8 . 1 1 30 30 MET CA C 30 54.614 54.614 58.516 -3.902 17762 4242 1 8 . 1 1 30 30 MET CB C 30 27.098 27.098 30.953 -3.855 17762 4243 1 8 . 1 1 30 30 MET H H 30 8.672 8.672 8.352 0.320 17762 4244 1 8 . 1 1 31 31 CYS N N 31 116.217 116.217 119.207 -2.990 17762 4245 1 8 . 1 1 31 31 CYS HA H 31 4.713 4.713 4.108 0.605 17762 4246 1 8 . 1 1 31 31 CYS CA C 31 55.786 55.786 62.385 -6.599 17762 4247 1 8 . 1 1 31 31 CYS CB C 31 39.392 39.392 27.826 11.566 17762 4248 1 8 . 1 1 31 31 CYS H H 31 6.592 6.592 8.305 -1.713 17762 4249 1 8 . 1 1 32 32 CYS N N 32 124.056 124.056 117.574 6.482 17762 4250 1 8 . 1 1 32 32 CYS HA H 32 4.410 4.410 4.083 0.327 17762 4251 1 8 . 1 1 32 32 CYS CA C 32 56.078 56.078 62.174 -6.096 17762 4252 1 8 . 1 1 32 32 CYS CB C 32 37.343 37.343 27.926 9.417 17762 4253 1 8 . 1 1 32 32 CYS H H 32 9.448 9.448 8.458 0.990 17762 4254 1 8 . 1 1 33 33 ARG N N 33 116.829 116.829 119.752 -2.923 17762 4255 1 8 . 1 1 33 33 ARG HA H 33 4.467 4.467 4.162 0.305 17762 4256 1 8 . 1 1 33 33 ARG CA C 33 50.809 50.809 57.364 -6.555 17762 4257 1 8 . 1 1 33 33 ARG CB C 33 26.220 26.220 30.543 -4.323 17762 4258 1 8 . 1 1 33 33 ARG H H 33 8.099 8.099 8.161 -0.062 17762 4259 1 8 . 1 1 34 34 LYS N N 34 111.068 111.068 117.287 -6.219 17762 4260 1 8 . 1 1 34 34 LYS HA H 34 4.360 4.360 4.158 0.202 17762 4261 1 8 . 1 1 34 34 LYS CA C 34 54.321 54.321 57.343 -3.022 17762 4262 1 8 . 1 1 34 34 LYS CB C 34 25.634 25.634 29.820 -4.186 17762 4263 1 8 . 1 1 34 34 LYS H H 34 7.690 7.690 8.054 -0.364 17762 4264 1 8 . 1 1 35 35 MET N N 35 116.639 116.639 116.528 0.111 17762 4265 1 8 . 1 1 35 35 MET HA H 35 4.749 4.749 4.285 0.464 17762 4266 1 8 . 1 1 35 35 MET CA C 35 53.443 53.443 58.706 -5.263 17762 4267 1 8 . 1 1 35 35 MET CB C 35 30.903 30.903 32.958 -2.055 17762 4268 1 8 . 1 1 35 35 MET H H 35 8.195 8.195 7.963 0.232 17762 4269 1 8 . 1 1 36 36 THR N N 36 107.641 107.641 112.401 -4.760 17762 4270 1 8 . 1 1 36 36 THR HA H 36 5.292 5.292 4.472 0.820 17762 4271 1 8 . 1 1 36 36 THR CA C 36 58.127 58.127 62.519 -4.392 17762 4272 1 8 . 1 1 36 36 THR CB C 36 66.030 66.030 67.058 -1.028 17762 4273 1 8 . 1 1 36 36 THR H H 36 7.562 7.562 8.089 -0.527 17762 4274 1 8 . 1 1 37 37 GLN N N 37 121.079 121.079 122.499 -1.420 17762 4275 1 8 . 1 1 37 37 GLN HA H 37 4.554 4.554 4.475 0.079 17762 4276 1 8 . 1 1 37 37 GLN CA C 37 52.858 52.858 56.509 -3.651 17762 4277 1 8 . 1 1 37 37 GLN CB C 37 26.220 26.220 29.112 -2.892 17762 4278 1 8 . 1 1 37 37 GLN H H 37 7.334 7.334 8.136 -0.802 17762 4279 1 8 . 1 1 38 38 GLY N N 38 118.390 118.390 107.031 11.359 17762 4280 1 8 . 1 1 38 38 GLY CA C 38 43.783 43.783 45.605 -1.822 17762 4281 1 8 . 1 1 38 38 GLY H H 38 8.345 8.345 8.508 -0.163 17762 4282 1 8 . 1 1 39 39 LYS N N 39 116.961 116.961 116.405 0.556 17762 4283 1 8 . 1 1 39 39 LYS HA H 39 3.555 3.555 3.884 -0.329 17762 4284 1 8 . 1 1 39 39 LYS CA C 39 52.272 52.272 54.020 -1.748 17762 4285 1 8 . 1 1 39 39 LYS CB C 39 31.196 31.196 33.441 -2.245 17762 4286 1 8 . 1 1 39 39 LYS H H 39 7.222 7.222 7.427 -0.205 17762 4287 1 8 . 1 1 40 40 CYS N N 40 119.480 119.480 118.142 1.338 17762 4288 1 8 . 1 1 40 40 CYS HA H 40 4.787 4.787 4.804 -0.017 17762 4289 1 8 . 1 1 40 40 CYS CA C 40 50.809 50.809 56.973 -6.164 17762 4290 1 8 . 1 1 40 40 CYS CB C 40 34.101 34.101 29.349 4.752 17762 4291 1 8 . 1 1 40 40 CYS H H 40 8.891 8.891 8.741 0.150 17762 4292 1 8 . 1 1 41 41 LYS N N 41 130.320 130.320 122.730 7.590 17762 4293 1 8 . 1 1 41 41 LYS HA H 41 4.550 4.550 4.875 -0.325 17762 4294 1 8 . 1 1 41 41 LYS CA C 41 53.443 53.443 53.760 -0.317 17762 4295 1 8 . 1 1 41 41 LYS CB C 41 31.489 31.489 33.612 -2.123 17762 4296 1 8 . 1 1 41 41 LYS H H 41 7.902 7.902 8.802 -0.900 17762 4297 1 8 . 1 1 42 42 PRO HA H 42 4.600 4.600 4.307 0.293 17762 4298 1 8 . 1 1 42 42 PRO CA C 42 63.981 63.981 64.119 -0.138 17762 4299 1 8 . 1 1 42 42 PRO CB C 42 29.732 29.732 32.354 -2.622 17762 4300 1 8 . 1 1 43 43 VAL N N 43 111.738 111.738 112.033 -0.295 17762 4301 1 8 . 1 1 43 43 VAL HA H 43 5.302 5.302 5.028 0.274 17762 4302 1 8 . 1 1 43 43 VAL CA C 43 56.663 56.663 59.161 -2.498 17762 4303 1 8 . 1 1 43 43 VAL CB C 43 32.952 32.952 34.290 -1.338 17762 4304 1 8 . 1 1 43 43 VAL H H 43 6.967 6.967 7.344 -0.377 17762 4305 1 8 . 1 1 44 44 ASN N N 44 120.558 120.558 125.578 -5.020 17762 4306 1 8 . 1 1 44 44 ASN HA H 44 4.770 4.770 5.088 -0.318 17762 4307 1 8 . 1 1 44 44 ASN CA C 44 51.687 51.687 51.936 -0.249 17762 4308 1 8 . 1 1 44 44 ASN CB C 44 41.734 41.734 41.199 0.535 17762 4309 1 8 . 1 1 44 44 ASN H H 44 8.741 8.741 9.133 -0.392 17762 4310 1 8 . 1 1 45 45 THR N N 45 120.658 120.658 123.418 -2.760 17762 4311 1 8 . 1 1 45 45 THR HA H 45 5.142 5.142 4.351 0.791 17762 4312 1 8 . 1 1 45 45 THR CA C 45 59.005 59.005 63.014 -4.009 17762 4313 1 8 . 1 1 45 45 THR CB C 45 68.079 68.079 68.121 -0.041 17762 4314 1 8 . 1 1 45 45 THR H H 45 6.938 6.938 8.275 -1.337 17762 4315 1 8 . 1 1 46 46 PHE N N 46 125.168 125.168 126.411 -1.243 17762 4316 1 8 . 1 1 46 46 PHE HA H 46 4.916 4.916 4.591 0.325 17762 4317 1 8 . 1 1 46 46 PHE CA C 46 54.321 54.321 54.630 -0.309 17762 4318 1 8 . 1 1 46 46 PHE CB C 46 26.692 26.692 40.057 -13.365 17762 4319 1 8 . 1 1 46 46 PHE H H 46 9.318 9.318 8.593 0.725 17762 4320 1 8 . 1 1 47 47 VAL N N 47 121.430 121.430 120.582 0.848 17762 4321 1 8 . 1 1 47 47 VAL HA H 47 4.212 4.212 4.359 -0.147 17762 4322 1 8 . 1 1 47 47 VAL CA C 47 59.280 59.280 61.694 -2.414 17762 4323 1 8 . 1 1 47 47 VAL CB C 47 30.025 30.025 33.459 -3.434 17762 4324 1 8 . 1 1 47 47 VAL H H 47 9.333 9.333 8.985 0.348 17762 4325 1 8 . 1 1 48 48 HIS N N 48 125.243 125.243 128.268 -3.025 17762 4326 1 8 . 1 1 48 48 HIS HA H 48 5.314 5.314 5.226 0.088 17762 4327 1 8 . 1 1 48 48 HIS CA C 48 51.979 51.979 54.830 -2.851 17762 4328 1 8 . 1 1 48 48 HIS CB C 48 25.634 25.634 28.774 -3.140 17762 4329 1 8 . 1 1 48 48 HIS H H 48 8.772 8.772 8.761 0.011 17762 4330 1 8 . 1 1 49 49 GLU N N 49 117.070 117.070 121.669 -4.599 17762 4331 1 8 . 1 1 49 49 GLU HA H 49 4.763 4.763 4.602 0.161 17762 4332 1 8 . 1 1 49 49 GLU CA C 49 51.101 51.101 54.705 -3.604 17762 4333 1 8 . 1 1 49 49 GLU CB C 49 28.269 28.269 33.617 -5.348 17762 4334 1 8 . 1 1 49 49 GLU H H 49 6.558 6.558 7.762 -1.204 17762 4335 1 8 . 1 1 50 50 SER N N 50 117.468 117.468 115.273 2.195 17762 4336 1 8 . 1 1 50 50 SER HA H 50 4.240 4.240 4.705 -0.465 17762 4337 1 8 . 1 1 50 50 SER CA C 50 55.199 55.199 57.675 -2.476 17762 4338 1 8 . 1 1 50 50 SER CB C 50 61.932 61.932 64.327 -2.395 17762 4339 1 8 . 1 1 50 50 SER H H 50 9.589 9.589 8.592 0.997 17762 4340 1 8 . 1 1 51 51 LEU N N 51 124.046 124.046 126.918 -2.872 17762 4341 1 8 . 1 1 51 51 LEU HA H 51 4.088 4.088 3.872 0.216 17762 4342 1 8 . 1 1 51 51 LEU CA C 51 55.785 55.785 59.329 -3.544 17762 4343 1 8 . 1 1 51 51 LEU CB C 51 38.514 38.514 42.061 -3.547 17762 4344 1 8 . 1 1 51 51 LEU H H 51 8.783 8.783 8.880 -0.097 17762 4345 1 8 . 1 1 52 52 ALA N N 52 120.494 120.494 118.694 1.800 17762 4346 1 8 . 1 1 52 52 ALA HA H 52 3.959 3.959 3.897 0.062 17762 4347 1 8 . 1 1 52 52 ALA CA C 52 52.858 52.858 54.890 -2.032 17762 4348 1 8 . 1 1 52 52 ALA CB C 52 15.682 15.682 17.899 -2.217 17762 4349 1 8 . 1 1 52 52 ALA H H 52 8.462 8.462 8.078 0.384 17762 4350 1 8 . 1 1 53 53 ASP N N 53 120.265 120.265 119.709 0.556 17762 4351 1 8 . 1 1 53 53 ASP HA H 53 4.372 4.372 4.492 -0.120 17762 4352 1 8 . 1 1 53 53 ASP CA C 53 54.907 54.907 56.749 -1.842 17762 4353 1 8 . 1 1 53 53 ASP CB C 53 37.050 37.050 40.749 -3.699 17762 4354 1 8 . 1 1 53 53 ASP H H 53 7.835 7.835 7.835 0.000 17762 4355 1 8 . 1 1 54 54 VAL N N 54 121.771 121.771 120.876 0.895 17762 4356 1 8 . 1 1 54 54 VAL HA H 54 3.703 3.703 3.599 0.104 17762 4357 1 8 . 1 1 54 54 VAL CA C 54 64.274 64.274 67.041 -2.767 17762 4358 1 8 . 1 1 54 54 VAL CB C 54 29.147 29.147 31.414 -2.267 17762 4359 1 8 . 1 1 54 54 VAL H H 54 7.879 7.879 8.033 -0.154 17762 4360 1 8 . 1 1 55 55 LYS N N 55 119.973 119.973 119.725 0.248 17762 4361 1 8 . 1 1 55 55 LYS HA H 55 3.641 3.641 3.969 -0.328 17762 4362 1 8 . 1 1 55 55 LYS CA C 55 57.839 57.839 59.683 -1.844 17762 4363 1 8 . 1 1 55 55 LYS CB C 55 29.732 29.732 32.349 -2.617 17762 4364 1 8 . 1 1 55 55 LYS H H 55 9.000 9.000 8.378 0.622 17762 4365 1 8 . 1 1 56 56 ALA N N 56 120.213 120.213 122.403 -2.190 17762 4366 1 8 . 1 1 56 56 ALA HA H 56 4.015 4.015 3.979 0.036 17762 4367 1 8 . 1 1 56 56 ALA CA C 56 51.394 51.394 55.027 -3.633 17762 4368 1 8 . 1 1 56 56 ALA CB C 56 14.803 14.803 18.358 -3.555 17762 4369 1 8 . 1 1 56 56 ALA H H 56 7.534 7.534 7.967 -0.433 17762 4370 1 8 . 1 1 57 57 VAL N N 57 121.006 121.006 119.224 1.782 17762 4371 1 8 . 1 1 57 57 VAL HA H 57 3.203 3.203 3.642 -0.439 17762 4372 1 8 . 1 1 57 57 VAL CA C 57 63.396 63.396 66.874 -3.478 17762 4373 1 8 . 1 1 57 57 VAL CB C 57 28.561 28.561 30.869 -2.308 17762 4374 1 8 . 1 1 57 57 VAL H H 57 7.575 7.575 8.526 -0.951 17762 4375 1 8 . 1 1 58 58 CYS N N 58 113.037 113.037 116.161 -3.124 17762 4376 1 8 . 1 1 58 58 CYS HA H 58 3.520 3.520 4.060 -0.540 17762 4377 1 8 . 1 1 58 58 CYS CA C 58 51.979 51.979 60.704 -8.725 17762 4378 1 8 . 1 1 58 58 CYS CB C 58 36.465 36.465 26.042 10.423 17762 4379 1 8 . 1 1 58 58 CYS H H 58 6.809 6.809 8.074 -1.265 17762 4380 1 8 . 1 1 59 59 SER N N 59 113.164 113.164 114.714 -1.550 17762 4381 1 8 . 1 1 59 59 SER HA H 59 4.569 4.569 4.219 0.350 17762 4382 1 8 . 1 1 59 59 SER CA C 59 55.785 55.785 58.951 -3.166 17762 4383 1 8 . 1 1 59 59 SER CB C 59 61.054 61.054 62.708 -1.654 17762 4384 1 8 . 1 1 59 59 SER H H 59 7.480 7.480 7.905 -0.425 17762 4385 1 8 . 1 1 60 60 GLN N N 60 124.351 124.351 121.691 2.660 17762 4386 1 8 . 1 1 60 60 GLN HA H 60 4.599 4.599 4.568 0.031 17762 4387 1 8 . 1 1 60 60 GLN CA C 60 52.565 52.565 56.835 -4.270 17762 4388 1 8 . 1 1 60 60 GLN CB C 60 22.414 22.414 30.821 -8.407 17762 4389 1 8 . 1 1 60 60 GLN H H 60 7.702 7.702 7.880 -0.177 17762 4390 1 8 . 1 1 61 61 LYS N N 61 122.353 122.353 121.049 1.304 17762 4391 1 8 . 1 1 61 61 LYS HA H 61 4.261 4.261 4.543 -0.282 17762 4392 1 8 . 1 1 61 61 LYS CA C 61 54.614 54.614 54.930 -0.316 17762 4393 1 8 . 1 1 61 61 LYS CB C 61 31.489 31.489 33.619 -2.130 17762 4394 1 8 . 1 1 61 61 LYS H H 61 7.540 7.540 8.471 -0.931 17762 4395 1 8 . 1 1 62 62 LYS N N 62 129.878 129.878 127.132 2.746 17762 4396 1 8 . 1 1 62 62 LYS HA H 62 4.050 4.050 3.260 0.790 17762 4397 1 8 . 1 1 62 62 LYS CA C 62 54.907 54.907 56.740 -1.833 17762 4398 1 8 . 1 1 62 62 LYS CB C 62 30.318 30.318 32.098 -1.780 17762 4399 1 8 . 1 1 62 62 LYS H H 62 8.408 8.408 8.308 0.100 17762 4400 1 8 . 1 1 63 63 VAL N N 63 121.631 121.631 122.758 -1.127 17762 4401 1 8 . 1 1 63 63 VAL HA H 63 4.516 4.516 4.434 0.082 17762 4402 1 8 . 1 1 63 63 VAL CA C 63 56.663 56.663 59.212 -2.549 17762 4403 1 8 . 1 1 63 63 VAL CB C 63 33.538 33.538 35.571 -2.033 17762 4404 1 8 . 1 1 63 63 VAL H H 63 8.317 8.317 8.604 -0.287 17762 4405 1 8 . 1 1 64 64 THR N N 64 116.885 116.885 117.496 -0.611 17762 4406 1 8 . 1 1 64 64 THR HA H 64 4.296 4.296 4.432 -0.136 17762 4407 1 8 . 1 1 64 64 THR CA C 64 60.468 60.468 62.460 -1.992 17762 4408 1 8 . 1 1 64 64 THR CB C 64 67.201 67.201 69.190 -1.989 17762 4409 1 8 . 1 1 64 64 THR H H 64 7.965 7.965 8.140 -0.175 17762 4410 1 8 . 1 1 65 65 CYS N N 65 124.789 124.789 123.956 0.833 17762 4411 1 8 . 1 1 65 65 CYS HA H 65 4.407 4.407 4.334 0.073 17762 4412 1 8 . 1 1 65 65 CYS CA C 65 51.101 51.101 58.047 -6.946 17762 4413 1 8 . 1 1 65 65 CYS CB C 65 36.465 36.465 28.233 8.232 17762 4414 1 8 . 1 1 65 65 CYS H H 65 8.790 8.790 8.600 0.190 17762 4415 1 8 . 1 1 66 66 LYS N N 66 128.070 128.070 123.065 5.005 17762 4416 1 8 . 1 1 66 66 LYS HA H 66 3.993 3.993 4.116 -0.123 17762 4417 1 8 . 1 1 66 66 LYS CA C 66 56.663 56.663 57.426 -0.763 17762 4418 1 8 . 1 1 66 66 LYS CB C 66 28.854 28.854 30.406 -1.552 17762 4419 1 8 . 1 1 66 66 LYS H H 66 10.959 10.959 8.678 2.281 17762 4420 1 8 . 1 1 67 67 ASP N N 67 117.000 117.000 121.275 -4.275 17762 4421 1 8 . 1 1 67 67 ASP HA H 67 4.459 4.459 4.579 -0.120 17762 4422 1 8 . 1 1 67 67 ASP CA C 67 50.809 50.809 55.214 -4.405 17762 4423 1 8 . 1 1 67 67 ASP CB C 67 37.636 37.636 41.061 -3.425 17762 4424 1 8 . 1 1 67 67 ASP H H 67 8.021 8.021 8.635 -0.614 17762 4425 1 8 . 1 1 68 68 GLY N N 68 108.831 108.831 108.950 -0.119 17762 4426 1 8 . 1 1 68 68 GLY CA C 68 42.612 42.612 44.853 -2.241 17762 4427 1 8 . 1 1 68 68 GLY H H 68 8.029 8.029 8.283 -0.254 17762 4428 1 8 . 1 1 69 69 GLN N N 69 120.061 120.061 119.955 0.106 17762 4429 1 8 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.653 -0.296 17762 4430 1 8 . 1 1 69 69 GLN CA C 69 54.264 54.264 55.286 -1.022 17762 4431 1 8 . 1 1 69 69 GLN CB C 69 27.683 27.683 30.300 -2.618 17762 4432 1 8 . 1 1 69 69 GLN H H 69 8.115 8.115 8.000 0.115 17762 4433 1 8 . 1 1 70 70 THR N N 70 112.531 112.531 115.161 -2.630 17762 4434 1 8 . 1 1 70 70 THR HA H 70 4.475 4.475 3.962 0.513 17762 4435 1 8 . 1 1 70 70 THR CA C 70 58.712 58.712 63.466 -4.754 17762 4436 1 8 . 1 1 70 70 THR CB C 70 67.201 67.201 67.581 -0.380 17762 4437 1 8 . 1 1 70 70 THR H H 70 8.553 8.553 8.553 0.000 17762 4438 1 8 . 1 1 71 71 ASN N N 71 119.619 119.619 122.460 -2.841 17762 4439 1 8 . 1 1 71 71 ASN HA H 71 4.847 4.847 4.943 -0.096 17762 4440 1 8 . 1 1 71 71 ASN CA C 71 50.516 50.516 52.977 -2.461 17762 4441 1 8 . 1 1 71 71 ASN CB C 71 35.587 35.587 40.223 -4.636 17762 4442 1 8 . 1 1 71 71 ASN H H 71 8.219 8.219 8.443 -0.224 17762 4443 1 8 . 1 1 72 72 CYS N N 72 118.100 118.100 120.794 -2.694 17762 4444 1 8 . 1 1 72 72 CYS HA H 72 5.424 5.424 5.484 -0.060 17762 4445 1 8 . 1 1 72 72 CYS CA C 72 56.956 56.956 55.609 1.347 17762 4446 1 8 . 1 1 72 72 CYS CB C 72 43.198 43.198 28.085 15.113 17762 4447 1 8 . 1 1 72 72 CYS H H 72 7.477 7.477 8.680 -1.203 17762 4448 1 8 . 1 1 73 73 TYR N N 73 119.843 119.843 121.684 -1.841 17762 4449 1 8 . 1 1 73 73 TYR HA H 73 5.121 5.121 5.066 0.055 17762 4450 1 8 . 1 1 73 73 TYR CA C 73 55.199 55.199 57.002 -1.803 17762 4451 1 8 . 1 1 73 73 TYR CB C 73 41.441 41.441 41.986 -0.545 17762 4452 1 8 . 1 1 73 73 TYR H H 73 8.983 8.983 9.362 -0.379 17762 4453 1 8 . 1 1 74 74 GLN N N 74 123.174 123.174 124.636 -1.462 17762 4454 1 8 . 1 1 74 74 GLN HA H 74 5.408 5.408 4.931 0.477 17762 4455 1 8 . 1 1 74 74 GLN CA C 74 49.930 49.930 54.527 -4.597 17762 4456 1 8 . 1 1 74 74 GLN H H 74 9.477 9.477 8.941 0.536 17762 4457 1 8 . 1 1 75 75 SER N N 75 122.742 122.742 122.249 0.493 17762 4458 1 8 . 1 1 75 75 SER HA H 75 4.679 4.679 4.457 0.222 17762 4459 1 8 . 1 1 75 75 SER CA C 75 55.764 55.764 58.920 -3.156 17762 4460 1 8 . 1 1 75 75 SER CB C 75 62.424 62.424 63.904 -1.480 17762 4461 1 8 . 1 1 75 75 SER H H 75 9.286 9.286 8.962 0.324 17762 4462 1 8 . 1 1 76 76 LYS N N 76 127.293 127.293 124.479 2.814 17762 4463 1 8 . 1 1 76 76 LYS HA H 76 4.202 4.202 4.046 0.156 17762 4464 1 8 . 1 1 76 76 LYS CA C 76 56.370 56.370 58.274 -1.904 17762 4465 1 8 . 1 1 76 76 LYS CB C 76 30.318 30.318 32.282 -1.964 17762 4466 1 8 . 1 1 76 76 LYS H H 76 8.938 8.938 8.918 0.021 17762 4467 1 8 . 1 1 77 77 SER N N 77 114.297 114.297 112.719 1.578 17762 4468 1 8 . 1 1 77 77 SER HA H 77 4.888 4.888 4.729 0.159 17762 4469 1 8 . 1 1 77 77 SER CA C 77 53.736 53.736 56.690 -2.954 17762 4470 1 8 . 1 1 77 77 SER CB C 77 62.810 62.810 65.837 -3.027 17762 4471 1 8 . 1 1 77 77 SER H H 77 8.592 8.592 7.935 0.657 17762 4472 1 8 . 1 1 78 78 THR N N 78 113.859 113.859 113.123 0.736 17762 4473 1 8 . 1 1 78 78 THR HA H 78 3.254 3.254 4.154 -0.900 17762 4474 1 8 . 1 1 78 78 THR CA C 78 59.883 59.883 62.806 -2.923 17762 4475 1 8 . 1 1 78 78 THR CB C 78 66.908 66.908 69.041 -2.133 17762 4476 1 8 . 1 1 78 78 THR H H 78 8.134 8.134 8.276 -0.142 17762 4477 1 8 . 1 1 79 79 MET N N 79 121.299 121.299 115.303 5.996 17762 4478 1 8 . 1 1 79 79 MET HA H 79 4.643 4.643 4.820 -0.177 17762 4479 1 8 . 1 1 79 79 MET CA C 79 52.858 52.858 55.397 -2.539 17762 4480 1 8 . 1 1 79 79 MET CB C 79 34.416 34.416 36.112 -1.696 17762 4481 1 8 . 1 1 79 79 MET H H 79 8.508 8.508 8.793 -0.285 17762 4482 1 8 . 1 1 80 80 ARG N N 80 122.767 122.767 121.623 1.144 17762 4483 1 8 . 1 1 80 80 ARG HA H 80 4.376 4.376 4.493 -0.117 17762 4484 1 8 . 1 1 80 80 ARG CA C 80 54.907 54.907 56.674 -1.767 17762 4485 1 8 . 1 1 80 80 ARG CB C 80 27.391 27.391 29.743 -2.352 17762 4486 1 8 . 1 1 80 80 ARG H H 80 9.508 9.508 8.961 0.547 17762 4487 1 8 . 1 1 81 81 ILE N N 81 120.594 120.594 125.441 -4.847 17762 4488 1 8 . 1 1 81 81 ILE HA H 81 5.284 5.284 4.757 0.527 17762 4489 1 8 . 1 1 81 81 ILE CA C 81 56.663 56.663 58.353 -1.690 17762 4490 1 8 . 1 1 81 81 ILE CB C 81 39.978 39.978 39.157 0.821 17762 4491 1 8 . 1 1 81 81 ILE H H 81 8.645 8.645 9.106 -0.461 17762 4492 1 8 . 1 1 82 82 THR N N 82 119.200 119.200 117.607 1.593 17762 4493 1 8 . 1 1 82 82 THR HA H 82 5.020 5.020 4.693 0.327 17762 4494 1 8 . 1 1 82 82 THR CA C 82 60.176 60.176 60.224 -0.048 17762 4495 1 8 . 1 1 82 82 THR CB C 82 68.372 68.372 68.108 0.264 17762 4496 1 8 . 1 1 82 82 THR H H 82 9.256 9.256 8.971 0.285 17762 4497 1 8 . 1 1 83 83 ASP N N 83 127.841 127.841 125.774 2.067 17762 4498 1 8 . 1 1 83 83 ASP HA H 83 5.029 5.029 4.555 0.474 17762 4499 1 8 . 1 1 83 83 ASP CA C 83 51.101 51.101 54.383 -3.282 17762 4500 1 8 . 1 1 83 83 ASP CB C 83 40.563 40.563 41.559 -0.996 17762 4501 1 8 . 1 1 83 83 ASP H H 83 9.241 9.241 8.709 0.532 17762 4502 1 8 . 1 1 84 84 CYS N N 84 122.123 122.123 127.610 -5.487 17762 4503 1 8 . 1 1 84 84 CYS HA H 84 5.940 5.940 4.858 1.082 17762 4504 1 8 . 1 1 84 84 CYS CA C 84 49.345 49.345 57.374 -8.029 17762 4505 1 8 . 1 1 84 84 CYS CB C 84 36.465 36.465 26.836 9.629 17762 4506 1 8 . 1 1 84 84 CYS H H 84 8.808 8.808 8.388 0.420 17762 4507 1 8 . 1 1 85 85 ARG N N 85 122.200 122.200 128.487 -6.287 17762 4508 1 8 . 1 1 85 85 ARG HA H 85 5.412 5.412 5.498 -0.086 17762 4509 1 8 . 1 1 85 85 ARG CA C 85 52.272 52.272 53.753 -1.481 17762 4510 1 8 . 1 1 85 85 ARG CB C 85 30.903 30.903 35.300 -4.397 17762 4511 1 8 . 1 1 85 85 ARG H H 85 8.204 8.204 9.201 -0.997 17762 4512 1 8 . 1 1 86 86 GLU N N 86 128.674 128.674 125.028 3.646 17762 4513 1 8 . 1 1 86 86 GLU HA H 86 4.288 4.288 4.724 -0.436 17762 4514 1 8 . 1 1 86 86 GLU CA C 86 55.199 55.199 55.892 -0.693 17762 4515 1 8 . 1 1 86 86 GLU CB C 86 29.732 29.732 30.153 -0.421 17762 4516 1 8 . 1 1 86 86 GLU H H 86 8.762 8.762 8.517 0.245 17762 4517 1 8 . 1 1 87 87 THR N N 87 115.660 115.660 116.717 -1.057 17762 4518 1 8 . 1 1 87 87 THR HA H 87 4.507 4.507 4.539 -0.032 17762 4519 1 8 . 1 1 87 87 THR CA C 87 58.127 58.127 60.385 -2.258 17762 4520 1 8 . 1 1 87 87 THR CB C 87 68.665 68.665 71.593 -2.928 17762 4521 1 8 . 1 1 87 87 THR H H 87 8.118 8.118 8.714 -0.596 17762 4522 1 8 . 1 1 88 88 GLY N N 88 107.768 107.768 110.355 -2.587 17762 4523 1 8 . 1 1 88 88 GLY CA C 88 43.490 43.490 45.958 -2.467 17762 4524 1 8 . 1 1 88 88 GLY H H 88 8.774 8.774 8.740 0.034 17762 4525 1 8 . 1 1 89 89 SER N N 89 112.931 112.931 116.178 -3.247 17762 4526 1 8 . 1 1 89 89 SER HA H 89 4.503 4.503 4.483 0.020 17762 4527 1 8 . 1 1 89 89 SER CA C 89 55.199 55.199 58.079 -2.880 17762 4528 1 8 . 1 1 89 89 SER CB C 89 61.054 61.054 63.714 -2.660 17762 4529 1 8 . 1 1 89 89 SER H H 89 7.597 7.597 8.374 -0.777 17762 4530 1 8 . 1 1 90 90 SER N N 90 118.245 118.245 117.604 0.641 17762 4531 1 8 . 1 1 90 90 SER HA H 90 3.943 3.943 4.465 -0.522 17762 4532 1 8 . 1 1 90 90 SER CA C 90 56.370 56.370 57.593 -1.223 17762 4533 1 8 . 1 1 90 90 SER CB C 90 60.468 60.468 62.053 -1.585 17762 4534 1 8 . 1 1 90 90 SER H H 90 6.989 6.989 8.425 -1.436 17762 4535 1 8 . 1 1 91 91 LYS N N 91 129.777 129.777 124.672 5.105 17762 4536 1 8 . 1 1 91 91 LYS HA H 91 4.431 4.431 4.379 0.052 17762 4537 1 8 . 1 1 91 91 LYS CA C 91 53.443 53.443 55.273 -1.830 17762 4538 1 8 . 1 1 91 91 LYS CB C 91 31.489 31.489 31.093 0.396 17762 4539 1 8 . 1 1 91 91 LYS H H 91 7.527 7.527 8.421 -0.894 17762 4540 1 8 . 1 1 92 92 TYR N N 92 131.912 131.912 126.258 5.654 17762 4541 1 8 . 1 1 92 92 TYR HA H 92 3.718 3.718 4.293 -0.575 17762 4542 1 8 . 1 1 92 92 TYR CA C 92 56.078 56.078 58.224 -2.146 17762 4543 1 8 . 1 1 92 92 TYR CB C 92 35.880 35.880 38.234 -2.354 17762 4544 1 8 . 1 1 92 92 TYR H H 92 9.290 9.290 7.922 1.368 17762 4545 1 8 . 1 1 93 93 PRO HA H 93 3.028 3.028 3.621 -0.593 17762 4546 1 8 . 1 1 93 93 PRO CA C 93 61.347 61.347 63.222 -1.875 17762 4547 1 8 . 1 1 93 93 PRO CB C 93 31.196 31.196 32.374 -1.178 17762 4548 1 8 . 1 1 94 94 ASN N N 94 130.934 130.934 119.628 11.306 17762 4549 1 8 . 1 1 94 94 ASN HA H 94 4.943 4.943 4.662 0.281 17762 4550 1 8 . 1 1 94 94 ASN CA C 94 49.630 49.630 53.209 -3.579 17762 4551 1 8 . 1 1 94 94 ASN CB C 94 35.001 35.001 37.694 -2.693 17762 4552 1 8 . 1 1 94 94 ASN H H 94 8.823 8.823 8.180 0.643 17762 4553 1 8 . 1 1 95 95 CYS N N 95 122.402 122.402 118.560 3.842 17762 4554 1 8 . 1 1 95 95 CYS HA H 95 4.840 4.840 4.185 0.655 17762 4555 1 8 . 1 1 95 95 CYS CA C 95 50.516 50.516 60.543 -10.027 17762 4556 1 8 . 1 1 95 95 CYS CB C 95 35.880 35.880 28.011 7.869 17762 4557 1 8 . 1 1 95 95 CYS H H 95 7.687 7.687 8.038 -0.351 17762 4558 1 8 . 1 1 96 96 ALA N N 96 129.346 129.346 125.913 3.433 17762 4559 1 8 . 1 1 96 96 ALA HA H 96 4.746 4.746 4.682 0.064 17762 4560 1 8 . 1 1 96 96 ALA CA C 96 49.052 49.052 51.485 -2.433 17762 4561 1 8 . 1 1 96 96 ALA CB C 96 19.194 19.194 21.214 -2.020 17762 4562 1 8 . 1 1 96 96 ALA H H 96 8.634 8.634 8.117 0.516 17762 4563 1 8 . 1 1 97 97 TYR N N 97 118.353 118.353 123.126 -4.773 17762 4564 1 8 . 1 1 97 97 TYR HA H 97 4.904 4.904 5.570 -0.666 17762 4565 1 8 . 1 1 97 97 TYR CA C 97 55.785 55.785 57.086 -1.301 17762 4566 1 8 . 1 1 97 97 TYR CB C 97 41.441 41.441 42.678 -1.237 17762 4567 1 8 . 1 1 97 97 TYR H H 97 9.368 9.368 8.539 0.829 17762 4568 1 8 . 1 1 98 98 LYS N N 98 125.559 125.559 122.939 2.620 17762 4569 1 8 . 1 1 98 98 LYS HA H 98 4.743 4.743 4.704 0.039 17762 4570 1 8 . 1 1 98 98 LYS CA C 98 52.565 52.565 53.725 -1.160 17762 4571 1 8 . 1 1 98 98 LYS CB C 98 31.489 31.489 36.535 -5.046 17762 4572 1 8 . 1 1 98 98 LYS H H 98 9.427 9.427 9.258 0.169 17762 4573 1 8 . 1 1 99 99 THR N N 99 126.667 126.667 122.690 3.977 17762 4574 1 8 . 1 1 99 99 THR HA H 99 5.243 5.243 4.802 0.441 17762 4575 1 8 . 1 1 99 99 THR CA C 99 60.176 60.176 61.862 -1.687 17762 4576 1 8 . 1 1 99 99 THR CB C 99 68.665 68.665 69.946 -1.281 17762 4577 1 8 . 1 1 99 99 THR H H 99 9.055 9.055 8.566 0.489 17762 4578 1 8 . 1 1 100 100 THR N N 100 124.517 124.517 123.949 0.568 17762 4579 1 8 . 1 1 100 100 THR HA H 100 4.637 4.637 4.562 0.075 17762 4580 1 8 . 1 1 100 100 THR CA C 100 59.883 59.883 62.124 -2.241 17762 4581 1 8 . 1 1 100 100 THR CB C 100 68.372 68.372 69.339 -0.967 17762 4582 1 8 . 1 1 100 100 THR H H 100 8.855 8.855 9.014 -0.159 17762 4583 1 8 . 1 1 101 101 GLN N N 101 128.586 128.586 128.098 0.488 17762 4584 1 8 . 1 1 101 101 GLN HA H 101 5.180 5.180 4.746 0.434 17762 4585 1 8 . 1 1 101 101 GLN CA C 101 53.150 53.150 56.031 -2.881 17762 4586 1 8 . 1 1 101 101 GLN CB C 101 27.098 27.098 28.385 -1.287 17762 4587 1 8 . 1 1 101 101 GLN H H 101 8.823 8.823 8.794 0.029 17762 4588 1 8 . 1 1 102 102 VAL N N 102 121.495 121.495 120.807 0.688 17762 4589 1 8 . 1 1 102 102 VAL HA H 102 4.639 4.639 4.719 -0.080 17762 4590 1 8 . 1 1 102 102 VAL CA C 102 57.834 57.834 59.812 -1.978 17762 4591 1 8 . 1 1 102 102 VAL CB C 102 34.123 34.123 36.035 -1.912 17762 4592 1 8 . 1 1 102 102 VAL H H 102 8.643 8.643 8.591 0.052 17762 4593 1 8 . 1 1 103 103 GLU N N 103 122.031 122.031 120.083 1.948 17762 4594 1 8 . 1 1 103 103 GLU HA H 103 5.400 5.400 5.265 0.135 17762 4595 1 8 . 1 1 103 103 GLU CA C 103 52.565 52.565 54.549 -1.984 17762 4596 1 8 . 1 1 103 103 GLU CB C 103 28.269 28.269 31.417 -3.148 17762 4597 1 8 . 1 1 103 103 GLU H H 103 8.068 8.068 8.468 -0.400 17762 4598 1 8 . 1 1 104 104 LYS N N 104 122.283 122.283 122.670 -0.387 17762 4599 1 8 . 1 1 104 104 LYS HA H 104 4.795 4.795 4.659 0.136 17762 4600 1 8 . 1 1 104 104 LYS CA C 104 51.979 51.979 54.222 -2.243 17762 4601 1 8 . 1 1 104 104 LYS CB C 104 37.050 37.050 36.889 0.161 17762 4602 1 8 . 1 1 104 104 LYS H H 104 8.336 8.336 8.670 -0.334 17762 4603 1 8 . 1 1 105 105 HIS N N 105 119.366 119.366 119.235 0.131 17762 4604 1 8 . 1 1 105 105 HIS HA H 105 4.407 4.407 4.910 -0.503 17762 4605 1 8 . 1 1 105 105 HIS CA C 105 54.321 54.321 55.943 -1.622 17762 4606 1 8 . 1 1 105 105 HIS CB C 105 25.341 25.341 29.451 -4.110 17762 4607 1 8 . 1 1 105 105 HIS H H 105 9.202 9.202 8.605 0.597 17762 4608 1 8 . 1 1 106 106 ILE N N 106 114.175 114.175 119.692 -5.517 17762 4609 1 8 . 1 1 106 106 ILE HA H 106 4.997 4.997 4.265 0.732 17762 4610 1 8 . 1 1 106 106 ILE CA C 106 57.541 57.541 62.497 -4.956 17762 4611 1 8 . 1 1 106 106 ILE CB C 106 38.807 38.807 38.743 0.064 17762 4612 1 8 . 1 1 106 106 ILE H H 106 8.447 8.447 8.842 -0.395 17762 4613 1 8 . 1 1 107 107 ILE N N 107 122.400 122.400 124.297 -1.897 17762 4614 1 8 . 1 1 107 107 ILE HA H 107 5.296 5.296 5.075 0.221 17762 4615 1 8 . 1 1 107 107 ILE CA C 107 57.541 57.541 58.617 -1.076 17762 4616 1 8 . 1 1 107 107 ILE CB C 107 36.758 36.758 37.762 -1.004 17762 4617 1 8 . 1 1 107 107 ILE H H 107 8.314 8.314 8.907 -0.593 17762 4618 1 8 . 1 1 108 108 VAL N N 108 118.187 118.187 123.065 -4.878 17762 4619 1 8 . 1 1 108 108 VAL HA H 108 4.888 4.888 4.672 0.216 17762 4620 1 8 . 1 1 108 108 VAL CA C 108 55.199 55.199 58.910 -3.711 17762 4621 1 8 . 1 1 108 108 VAL CB C 108 32.074 32.074 35.006 -2.932 17762 4622 1 8 . 1 1 108 108 VAL H H 108 8.907 8.907 9.098 -0.192 17762 4623 1 8 . 1 1 109 109 ALA N N 109 122.660 122.660 127.385 -4.725 17762 4624 1 8 . 1 1 109 109 ALA HA H 109 5.296 5.296 4.687 0.609 17762 4625 1 8 . 1 1 109 109 ALA CA C 109 48.174 48.174 50.536 -2.362 17762 4626 1 8 . 1 1 109 109 ALA CB C 109 19.194 19.194 18.656 0.538 17762 4627 1 8 . 1 1 109 109 ALA H H 109 8.706 8.706 8.698 0.008 17762 4628 1 8 . 1 1 110 110 CYS N N 110 120.404 120.404 123.950 -3.546 17762 4629 1 8 . 1 1 110 110 CYS HA H 110 5.680 5.680 5.213 0.467 17762 4630 1 8 . 1 1 110 110 CYS CA C 110 53.443 53.443 57.543 -4.100 17762 4631 1 8 . 1 1 110 110 CYS CB C 110 47.003 47.003 27.539 19.464 17762 4632 1 8 . 1 1 110 110 CYS H H 110 8.797 8.797 8.522 0.275 17762 4633 1 8 . 1 1 111 111 GLY N N 111 111.123 111.123 113.312 -2.189 17762 4634 1 8 . 1 1 111 111 GLY CA C 111 42.905 42.905 45.544 -2.639 17762 4635 1 8 . 1 1 111 111 GLY H H 111 9.107 9.107 9.033 0.074 17762 4636 1 8 . 1 1 112 112 GLY N N 112 107.554 107.554 107.172 0.382 17762 4637 1 8 . 1 1 112 112 GLY CA C 112 40.856 40.856 44.780 -3.924 17762 4638 1 8 . 1 1 112 112 GLY H H 112 8.206 8.206 8.160 0.046 17762 4639 1 8 . 1 1 113 113 LYS N N 113 118.578 118.578 120.534 -1.956 17762 4640 1 8 . 1 1 113 113 LYS HA H 113 4.384 4.384 4.184 0.200 17762 4641 1 8 . 1 1 113 113 LYS CA C 113 51.100 51.100 55.489 -4.389 17762 4642 1 8 . 1 1 113 113 LYS CB C 113 32.367 32.367 32.033 0.334 17762 4643 1 8 . 1 1 113 113 LYS H H 113 7.774 7.774 8.113 -0.339 17762 4644 1 8 . 1 1 114 114 PRO HA H 114 4.615 4.615 4.454 0.161 17762 4645 1 8 . 1 1 114 114 PRO C C 114 3.597 3.597 176.438 -172.841 17762 4646 1 8 . 1 1 114 114 PRO CA C 114 60.448 60.448 61.950 -1.502 17762 4647 1 8 . 1 1 114 114 PRO CB C 114 31.781 31.781 32.794 -1.012 17762 4648 1 8 . 1 1 115 115 SER N N 115 116.201 116.201 116.005 0.196 17762 4649 1 8 . 1 1 115 115 SER HA H 115 3.954 3.954 4.265 -0.311 17762 4650 1 8 . 1 1 115 115 SER CA C 115 56.078 56.078 58.239 -2.160 17762 4651 1 8 . 1 1 115 115 SER CB C 115 60.761 60.761 62.331 -1.570 17762 4652 1 8 . 1 1 115 115 SER H H 115 8.201 8.201 8.355 -0.154 17762 4653 1 8 . 1 1 116 116 VAL N N 116 120.540 120.540 119.687 0.853 17762 4654 1 8 . 1 1 116 116 VAL HA H 116 4.858 4.858 4.710 0.148 17762 4655 1 8 . 1 1 116 116 VAL CA C 116 56.078 56.078 57.222 -1.145 17762 4656 1 8 . 1 1 116 116 VAL CB C 116 31.196 31.196 33.614 -2.418 17762 4657 1 8 . 1 1 116 116 VAL H H 116 8.511 8.511 7.918 0.593 17762 4658 1 8 . 1 1 117 117 PRO HA H 117 4.508 4.508 4.989 -0.481 17762 4659 1 8 . 1 1 117 117 PRO CA C 117 60.468 60.468 62.444 -1.976 17762 4660 1 8 . 1 1 117 117 PRO CB C 117 27.391 27.391 32.707 -5.316 17762 4661 1 8 . 1 1 118 118 VAL N N 118 111.972 111.972 114.606 -2.634 17762 4662 1 8 . 1 1 118 118 VAL HA H 118 4.532 4.532 4.440 0.092 17762 4663 1 8 . 1 1 118 118 VAL CA C 118 58.419 58.419 61.332 -2.913 17762 4664 1 8 . 1 1 118 118 VAL CB C 118 31.781 31.781 33.182 -1.401 17762 4665 1 8 . 1 1 118 118 VAL H H 118 8.927 8.927 8.628 0.299 17762 4666 1 8 . 1 1 119 119 HIS N N 119 121.264 121.264 117.094 4.170 17762 4667 1 8 . 1 1 119 119 HIS HA H 119 5.324 5.324 3.899 1.425 17762 4668 1 8 . 1 1 119 119 HIS CA C 119 53.443 53.443 54.592 -1.149 17762 4669 1 8 . 1 1 119 119 HIS CB C 119 30.025 30.025 33.744 -3.719 17762 4670 1 8 . 1 1 119 119 HIS H H 119 7.616 7.616 6.864 0.752 17762 4671 1 8 . 1 1 120 120 PHE HA H 120 4.283 4.283 4.612 -0.329 17762 4672 1 8 . 1 1 120 120 PHE CA C 120 55.785 55.785 56.927 -1.142 17762 4673 1 8 . 1 1 120 120 PHE CB C 120 36.172 36.172 41.526 -5.354 17762 4674 1 8 . 1 1 121 121 ASP N N 121 131.399 131.399 126.038 5.361 17762 4675 1 8 . 1 1 121 121 ASP HA H 121 4.668 4.668 4.569 0.099 17762 4676 1 8 . 1 1 121 121 ASP CA C 121 54.614 54.614 53.529 1.085 17762 4677 1 8 . 1 1 121 121 ASP CB C 121 44.076 44.076 43.162 0.914 17762 4678 1 8 . 1 1 121 121 ASP H H 121 8.644 8.644 8.358 0.286 17762 4679 1 8 . 1 1 122 122 ALA N N 122 116.961 116.961 118.372 -1.411 17762 4680 1 8 . 1 1 122 122 ALA HA H 122 4.491 4.491 4.402 0.089 17762 4681 1 8 . 1 1 122 122 ALA CA C 122 49.345 49.345 51.417 -2.072 17762 4682 1 8 . 1 1 122 122 ALA CB C 122 19.194 19.194 21.425 -2.231 17762 4683 1 8 . 1 1 122 122 ALA H H 122 7.419 7.419 6.881 0.538 17762 4684 1 8 . 1 1 123 123 SER N N 123 112.579 112.579 115.777 -3.198 17762 4685 1 8 . 1 1 123 123 SER HA H 123 5.325 5.325 5.629 -0.304 17762 4686 1 8 . 1 1 123 123 SER CA C 123 54.321 54.321 57.560 -3.239 17762 4687 1 8 . 1 1 123 123 SER CB C 123 63.981 63.981 65.547 -1.566 17762 4688 1 8 . 1 1 123 123 SER H H 123 8.092 8.092 8.610 -0.518 17762 4689 1 9 . 1 1 2 2 GLU N N 2 126.119 126.119 126.515 -0.396 17762 4690 1 9 . 1 1 2 2 GLU HA H 2 4.370 4.370 4.357 0.013 17762 4691 1 9 . 1 1 2 2 GLU CA C 2 53.440 53.440 56.371 -2.931 17762 4692 1 9 . 1 1 2 2 GLU CB C 2 29.147 29.147 29.482 -0.335 17762 4693 1 9 . 1 1 2 2 GLU H H 2 8.448 8.448 8.975 -0.527 17762 4694 1 9 . 1 1 3 3 SER N N 3 124.530 124.530 123.675 0.855 17762 4695 1 9 . 1 1 3 3 SER HA H 3 4.500 4.500 4.351 0.149 17762 4696 1 9 . 1 1 3 3 SER CA C 3 54.907 54.907 57.419 -2.512 17762 4697 1 9 . 1 1 3 3 SER CB C 3 62.511 62.511 61.977 0.534 17762 4698 1 9 . 1 1 3 3 SER H H 3 8.755 8.755 8.474 0.281 17762 4699 1 9 . 1 1 4 4 ALA N N 4 125.341 125.341 124.676 0.665 17762 4700 1 9 . 1 1 4 4 ALA HA H 4 4.216 4.216 3.809 0.407 17762 4701 1 9 . 1 1 4 4 ALA CA C 4 52.858 52.858 54.654 -1.796 17762 4702 1 9 . 1 1 4 4 ALA CB C 4 15.389 15.389 17.065 -1.676 17762 4703 1 9 . 1 1 4 4 ALA H H 4 8.961 8.961 8.204 0.757 17762 4704 1 9 . 1 1 5 5 ALA N N 5 121.896 121.896 123.108 -1.212 17762 4705 1 9 . 1 1 5 5 ALA HA H 5 4.375 4.375 4.253 0.122 17762 4706 1 9 . 1 1 5 5 ALA CA C 5 52.565 52.565 55.401 -2.836 17762 4707 1 9 . 1 1 5 5 ALA CB C 5 15.974 15.974 18.662 -2.688 17762 4708 1 9 . 1 1 5 5 ALA H H 5 8.659 8.659 8.238 0.421 17762 4709 1 9 . 1 1 6 6 ALA N N 6 123.734 123.734 120.205 3.529 17762 4710 1 9 . 1 1 6 6 ALA HA H 6 4.216 4.216 4.032 0.184 17762 4711 1 9 . 1 1 6 6 ALA CA C 6 52.272 52.272 55.324 -3.052 17762 4712 1 9 . 1 1 6 6 ALA CB C 6 15.389 15.389 18.044 -2.655 17762 4713 1 9 . 1 1 6 6 ALA H H 6 8.009 8.009 8.310 -0.301 17762 4714 1 9 . 1 1 7 7 LYS N N 7 123.118 123.118 119.545 3.573 17762 4715 1 9 . 1 1 7 7 LYS HA H 7 4.025 4.025 4.118 -0.093 17762 4716 1 9 . 1 1 7 7 LYS CA C 7 57.834 57.834 58.633 -0.799 17762 4717 1 9 . 1 1 7 7 LYS CB C 7 29.732 29.732 32.592 -2.860 17762 4718 1 9 . 1 1 7 7 LYS H H 7 8.737 8.737 7.558 1.179 17762 4719 1 9 . 1 1 8 8 PHE N N 8 120.604 120.604 121.347 -0.743 17762 4720 1 9 . 1 1 8 8 PHE HA H 8 4.388 4.388 4.090 0.298 17762 4721 1 9 . 1 1 8 8 PHE CA C 8 59.298 59.298 61.004 -1.706 17762 4722 1 9 . 1 1 8 8 PHE CB C 8 36.465 36.465 38.604 -2.139 17762 4723 1 9 . 1 1 8 8 PHE H H 8 8.058 8.058 8.573 -0.515 17762 4724 1 9 . 1 1 9 9 GLU N N 9 119.978 119.978 119.967 0.011 17762 4725 1 9 . 1 1 9 9 GLU HA H 9 3.742 3.742 3.113 0.629 17762 4726 1 9 . 1 1 9 9 GLU CA C 9 58.127 58.127 59.787 -1.660 17762 4727 1 9 . 1 1 9 9 GLU CB C 9 35.001 35.001 29.271 5.730 17762 4728 1 9 . 1 1 9 9 GLU H H 9 7.922 7.922 8.504 -0.582 17762 4729 1 9 . 1 1 10 10 ARG N N 10 120.914 120.914 114.806 6.108 17762 4730 1 9 . 1 1 10 10 ARG HA H 10 4.197 4.197 4.028 0.169 17762 4731 1 9 . 1 1 10 10 ARG CA C 10 56.663 56.663 57.689 -1.026 17762 4732 1 9 . 1 1 10 10 ARG CB C 10 27.683 27.683 29.914 -2.231 17762 4733 1 9 . 1 1 10 10 ARG H H 10 8.323 8.323 8.056 0.267 17762 4734 1 9 . 1 1 11 11 GLN N N 11 112.201 112.201 113.232 -1.031 17762 4735 1 9 . 1 1 11 11 GLN HA H 11 3.787 3.787 4.262 -0.475 17762 4736 1 9 . 1 1 11 11 GLN CA C 11 55.492 55.492 56.088 -0.596 17762 4737 1 9 . 1 1 11 11 GLN CB C 11 26.805 26.805 29.851 -3.046 17762 4738 1 9 . 1 1 11 11 GLN H H 11 8.425 8.425 7.454 0.971 17762 4739 1 9 . 1 1 12 12 HIS N N 12 106.607 106.607 117.869 -11.262 17762 4740 1 9 . 1 1 12 12 HIS HA H 12 4.943 4.943 4.386 0.557 17762 4741 1 9 . 1 1 12 12 HIS CA C 12 52.272 52.272 56.045 -3.773 17762 4742 1 9 . 1 1 12 12 HIS CB C 12 27.680 27.680 33.417 -5.737 17762 4743 1 9 . 1 1 12 12 HIS H H 12 7.708 7.708 8.019 -0.311 17762 4744 1 9 . 1 1 13 13 MET N N 13 117.217 117.217 120.315 -3.098 17762 4745 1 9 . 1 1 13 13 MET HA H 13 5.460 5.460 4.671 0.789 17762 4746 1 9 . 1 1 13 13 MET CA C 13 50.516 50.516 54.327 -3.811 17762 4747 1 9 . 1 1 13 13 MET CB C 13 27.098 27.098 34.056 -6.958 17762 4748 1 9 . 1 1 13 13 MET H H 13 8.037 8.037 8.180 -0.143 17762 4749 1 9 . 1 1 14 14 ASP N N 14 123.910 123.910 124.968 -1.058 17762 4750 1 9 . 1 1 14 14 ASP HA H 14 5.024 5.024 4.956 0.068 17762 4751 1 9 . 1 1 14 14 ASP CA C 14 51.101 51.101 52.735 -1.634 17762 4752 1 9 . 1 1 14 14 ASP CB C 14 37.636 37.636 45.139 -7.503 17762 4753 1 9 . 1 1 14 14 ASP H H 14 8.805 8.805 8.866 -0.061 17762 4754 1 9 . 1 1 15 15 SER N N 15 121.832 121.832 114.707 7.125 17762 4755 1 9 . 1 1 15 15 SER HA H 15 4.202 4.202 4.805 -0.603 17762 4756 1 9 . 1 1 15 15 SER CA C 15 58.127 58.127 56.767 1.360 17762 4757 1 9 . 1 1 15 15 SER CB C 15 61.347 61.347 64.695 -3.348 17762 4758 1 9 . 1 1 15 15 SER H H 15 8.943 8.943 8.545 0.398 17762 4759 1 9 . 1 1 16 16 GLY N N 16 111.703 111.703 111.694 0.009 17762 4760 1 9 . 1 1 16 16 GLY CA C 16 42.905 42.905 46.003 -3.098 17762 4761 1 9 . 1 1 16 16 GLY H H 16 8.586 8.586 8.616 -0.030 17762 4762 1 9 . 1 1 17 17 ASN N N 17 119.334 119.334 117.187 2.147 17762 4763 1 9 . 1 1 17 17 ASN HA H 17 4.660 4.660 4.196 0.464 17762 4764 1 9 . 1 1 17 17 ASN CA C 17 50.223 50.223 53.488 -3.265 17762 4765 1 9 . 1 1 17 17 ASN CB C 17 37.346 37.346 36.852 0.494 17762 4766 1 9 . 1 1 17 17 ASN H H 17 7.983 7.983 7.669 0.314 17762 4767 1 9 . 1 1 18 18 SER N N 18 117.557 117.557 116.911 0.646 17762 4768 1 9 . 1 1 18 18 SER HA H 18 4.187 4.187 4.810 -0.623 17762 4769 1 9 . 1 1 18 18 SER CA C 18 53.443 53.443 55.925 -2.482 17762 4770 1 9 . 1 1 18 18 SER CB C 18 60.468 60.468 65.070 -4.603 17762 4771 1 9 . 1 1 18 18 SER H H 18 8.291 8.291 8.029 0.262 17762 4772 1 9 . 1 1 19 19 PRO HA H 19 4.204 4.204 4.640 -0.436 17762 4773 1 9 . 1 1 19 19 PRO CA C 19 60.468 60.468 63.278 -2.810 17762 4774 1 9 . 1 1 19 19 PRO CB C 19 29.147 29.147 29.770 -0.623 17762 4775 1 9 . 1 1 20 20 SER N N 20 115.589 115.589 116.821 -1.232 17762 4776 1 9 . 1 1 20 20 SER HA H 20 4.370 4.370 4.514 -0.144 17762 4777 1 9 . 1 1 20 20 SER CA C 20 54.907 54.907 58.350 -3.443 17762 4778 1 9 . 1 1 20 20 SER CB C 20 61.347 61.347 63.718 -2.372 17762 4779 1 9 . 1 1 20 20 SER H H 20 8.118 8.118 8.383 -0.265 17762 4780 1 9 . 1 1 21 21 SER N N 21 118.787 118.787 118.933 -0.146 17762 4781 1 9 . 1 1 21 21 SER HA H 21 4.398 4.398 3.783 0.615 17762 4782 1 9 . 1 1 21 21 SER CA C 21 56.370 56.370 59.095 -2.725 17762 4783 1 9 . 1 1 21 21 SER CB C 21 61.639 61.639 62.992 -1.353 17762 4784 1 9 . 1 1 21 21 SER H H 21 8.406 8.406 8.321 0.085 17762 4785 1 9 . 1 1 22 22 SER N N 22 116.967 116.967 114.665 2.302 17762 4786 1 9 . 1 1 22 22 SER HA H 22 4.579 4.579 4.437 0.142 17762 4787 1 9 . 1 1 22 22 SER CA C 22 56.076 56.076 57.147 -1.071 17762 4788 1 9 . 1 1 22 22 SER CB C 22 61.054 61.054 63.398 -2.344 17762 4789 1 9 . 1 1 22 22 SER H H 22 8.278 8.278 7.705 0.573 17762 4790 1 9 . 1 1 23 23 SER N N 23 119.166 119.166 118.822 0.344 17762 4791 1 9 . 1 1 23 23 SER HA H 23 4.520 4.520 4.030 0.490 17762 4792 1 9 . 1 1 23 23 SER CA C 23 57.956 57.956 60.799 -2.843 17762 4793 1 9 . 1 1 23 23 SER CB C 23 61.639 61.639 62.976 -1.337 17762 4794 1 9 . 1 1 23 23 SER H H 23 8.376 8.376 8.675 -0.299 17762 4795 1 9 . 1 1 24 24 ASN N N 24 120.511 120.511 121.440 -0.929 17762 4796 1 9 . 1 1 24 24 ASN HA H 24 4.940 4.940 4.346 0.594 17762 4797 1 9 . 1 1 24 24 ASN CA C 24 50.516 50.516 56.445 -5.929 17762 4798 1 9 . 1 1 24 24 ASN CB C 24 36.758 36.758 37.481 -0.723 17762 4799 1 9 . 1 1 24 24 ASN H H 24 8.483 8.483 8.270 0.213 17762 4800 1 9 . 1 1 25 25 TYR N N 25 121.549 121.549 118.632 2.917 17762 4801 1 9 . 1 1 25 25 TYR HA H 25 3.941 3.941 4.202 -0.261 17762 4802 1 9 . 1 1 25 25 TYR CA C 25 59.883 59.883 59.511 0.372 17762 4803 1 9 . 1 1 25 25 TYR CB C 25 36.465 36.465 36.850 -0.385 17762 4804 1 9 . 1 1 25 25 TYR H H 25 7.765 7.765 7.388 0.377 17762 4805 1 9 . 1 1 26 26 CYS N N 26 115.301 115.301 119.784 -4.483 17762 4806 1 9 . 1 1 26 26 CYS HA H 26 3.784 3.784 3.489 0.295 17762 4807 1 9 . 1 1 26 26 CYS CA C 26 59.005 59.005 63.625 -4.620 17762 4808 1 9 . 1 1 26 26 CYS CB C 26 37.636 37.636 25.834 11.802 17762 4809 1 9 . 1 1 26 26 CYS H H 26 7.800 7.800 8.052 -0.252 17762 4810 1 9 . 1 1 27 27 ASN N N 27 120.386 120.386 117.762 2.624 17762 4811 1 9 . 1 1 27 27 ASN HA H 27 4.376 4.376 4.439 -0.063 17762 4812 1 9 . 1 1 27 27 ASN CA C 27 53.736 53.736 56.653 -2.917 17762 4813 1 9 . 1 1 27 27 ASN CB C 27 34.416 34.416 38.353 -3.937 17762 4814 1 9 . 1 1 27 27 ASN H H 27 7.774 7.774 8.072 -0.298 17762 4815 1 9 . 1 1 28 28 LEU N N 28 120.114 120.114 122.368 -2.254 17762 4816 1 9 . 1 1 28 28 LEU HA H 28 4.085 4.085 4.058 0.027 17762 4817 1 9 . 1 1 28 28 LEU CA C 28 55.199 55.199 58.440 -3.241 17762 4818 1 9 . 1 1 28 28 LEU CB C 28 39.978 39.978 41.349 -1.371 17762 4819 1 9 . 1 1 28 28 LEU H H 28 7.434 7.434 8.704 -1.270 17762 4820 1 9 . 1 1 29 29 MET N N 29 118.101 118.101 118.352 -0.251 17762 4821 1 9 . 1 1 29 29 MET HA H 29 4.189 4.189 4.064 0.125 17762 4822 1 9 . 1 1 29 29 MET CA C 29 53.443 53.443 59.045 -5.602 17762 4823 1 9 . 1 1 29 29 MET CB C 29 28.269 28.269 32.713 -4.444 17762 4824 1 9 . 1 1 29 29 MET H H 29 8.474 8.474 8.220 0.254 17762 4825 1 9 . 1 1 30 30 MET N N 30 116.980 116.980 119.232 -2.252 17762 4826 1 9 . 1 1 30 30 MET HA H 30 4.308 4.308 4.095 0.213 17762 4827 1 9 . 1 1 30 30 MET CA C 30 54.614 54.614 58.701 -4.087 17762 4828 1 9 . 1 1 30 30 MET CB C 30 27.098 27.098 31.077 -3.979 17762 4829 1 9 . 1 1 30 30 MET H H 30 8.672 8.672 8.495 0.177 17762 4830 1 9 . 1 1 31 31 CYS N N 31 116.217 116.217 119.698 -3.481 17762 4831 1 9 . 1 1 31 31 CYS HA H 31 4.713 4.713 4.176 0.537 17762 4832 1 9 . 1 1 31 31 CYS CA C 31 55.786 55.786 62.302 -6.516 17762 4833 1 9 . 1 1 31 31 CYS CB C 31 39.392 39.392 27.873 11.519 17762 4834 1 9 . 1 1 31 31 CYS H H 31 6.592 6.592 8.488 -1.896 17762 4835 1 9 . 1 1 32 32 CYS N N 32 124.056 124.056 118.131 5.925 17762 4836 1 9 . 1 1 32 32 CYS HA H 32 4.410 4.410 4.091 0.319 17762 4837 1 9 . 1 1 32 32 CYS CA C 32 56.078 56.078 62.457 -6.379 17762 4838 1 9 . 1 1 32 32 CYS CB C 32 37.343 37.343 27.896 9.447 17762 4839 1 9 . 1 1 32 32 CYS H H 32 9.448 9.448 8.633 0.815 17762 4840 1 9 . 1 1 33 33 ARG N N 33 116.829 116.829 119.974 -3.145 17762 4841 1 9 . 1 1 33 33 ARG HA H 33 4.467 4.467 4.207 0.260 17762 4842 1 9 . 1 1 33 33 ARG CA C 33 50.809 50.809 57.390 -6.581 17762 4843 1 9 . 1 1 33 33 ARG CB C 33 26.220 26.220 30.601 -4.380 17762 4844 1 9 . 1 1 33 33 ARG H H 33 8.099 8.099 8.215 -0.116 17762 4845 1 9 . 1 1 34 34 LYS N N 34 111.068 111.068 117.424 -6.356 17762 4846 1 9 . 1 1 34 34 LYS HA H 34 4.360 4.360 4.196 0.164 17762 4847 1 9 . 1 1 34 34 LYS CA C 34 54.321 54.321 57.148 -2.828 17762 4848 1 9 . 1 1 34 34 LYS CB C 34 25.634 25.634 30.047 -4.413 17762 4849 1 9 . 1 1 34 34 LYS H H 34 7.690 7.690 8.153 -0.463 17762 4850 1 9 . 1 1 35 35 MET N N 35 116.639 116.639 115.548 1.091 17762 4851 1 9 . 1 1 35 35 MET HA H 35 4.749 4.749 4.320 0.429 17762 4852 1 9 . 1 1 35 35 MET CA C 35 53.443 53.443 58.127 -4.684 17762 4853 1 9 . 1 1 35 35 MET CB C 35 30.903 30.903 32.729 -1.826 17762 4854 1 9 . 1 1 35 35 MET H H 35 8.195 8.195 8.548 -0.353 17762 4855 1 9 . 1 1 36 36 THR N N 36 107.641 107.641 113.094 -5.453 17762 4856 1 9 . 1 1 36 36 THR HA H 36 5.292 5.292 4.711 0.581 17762 4857 1 9 . 1 1 36 36 THR CA C 36 58.127 58.127 61.426 -3.299 17762 4858 1 9 . 1 1 36 36 THR CB C 36 66.030 66.030 67.151 -1.121 17762 4859 1 9 . 1 1 36 36 THR H H 36 7.562 7.562 8.102 -0.540 17762 4860 1 9 . 1 1 37 37 GLN N N 37 121.079 121.079 121.649 -0.570 17762 4861 1 9 . 1 1 37 37 GLN HA H 37 4.554 4.554 4.396 0.158 17762 4862 1 9 . 1 1 37 37 GLN CA C 37 52.858 52.858 55.709 -2.851 17762 4863 1 9 . 1 1 37 37 GLN CB C 37 26.220 26.220 28.486 -2.266 17762 4864 1 9 . 1 1 37 37 GLN H H 37 7.334 7.334 8.199 -0.865 17762 4865 1 9 . 1 1 38 38 GLY N N 38 118.390 118.390 115.740 2.650 17762 4866 1 9 . 1 1 38 38 GLY CA C 38 43.783 43.783 46.126 -2.343 17762 4867 1 9 . 1 1 38 38 GLY H H 38 8.345 8.345 8.694 -0.349 17762 4868 1 9 . 1 1 39 39 LYS N N 39 116.961 116.961 117.684 -0.723 17762 4869 1 9 . 1 1 39 39 LYS HA H 39 3.555 3.555 3.445 0.110 17762 4870 1 9 . 1 1 39 39 LYS CA C 39 52.272 52.272 54.353 -2.081 17762 4871 1 9 . 1 1 39 39 LYS CB C 39 31.196 31.196 35.507 -4.311 17762 4872 1 9 . 1 1 39 39 LYS H H 39 7.222 7.222 7.813 -0.591 17762 4873 1 9 . 1 1 40 40 CYS N N 40 119.480 119.480 117.921 1.559 17762 4874 1 9 . 1 1 40 40 CYS HA H 40 4.787 4.787 4.697 0.090 17762 4875 1 9 . 1 1 40 40 CYS CA C 40 50.809 50.809 57.056 -6.247 17762 4876 1 9 . 1 1 40 40 CYS CB C 40 34.101 34.101 30.205 3.896 17762 4877 1 9 . 1 1 40 40 CYS H H 40 8.891 8.891 8.437 0.454 17762 4878 1 9 . 1 1 41 41 LYS N N 41 130.320 130.320 124.983 5.337 17762 4879 1 9 . 1 1 41 41 LYS HA H 41 4.550 4.550 4.742 -0.192 17762 4880 1 9 . 1 1 41 41 LYS CA C 41 53.443 53.443 53.345 0.098 17762 4881 1 9 . 1 1 41 41 LYS CB C 41 31.489 31.489 33.112 -1.623 17762 4882 1 9 . 1 1 41 41 LYS H H 41 7.902 7.902 8.577 -0.675 17762 4883 1 9 . 1 1 42 42 PRO HA H 42 4.600 4.600 4.334 0.266 17762 4884 1 9 . 1 1 42 42 PRO CA C 42 63.981 63.981 64.262 -0.281 17762 4885 1 9 . 1 1 42 42 PRO CB C 42 29.732 29.732 32.247 -2.515 17762 4886 1 9 . 1 1 43 43 VAL N N 43 111.738 111.738 110.900 0.838 17762 4887 1 9 . 1 1 43 43 VAL HA H 43 5.302 5.302 5.086 0.216 17762 4888 1 9 . 1 1 43 43 VAL CA C 43 56.663 56.663 59.135 -2.472 17762 4889 1 9 . 1 1 43 43 VAL CB C 43 32.952 32.952 34.822 -1.870 17762 4890 1 9 . 1 1 43 43 VAL H H 43 6.967 6.967 7.393 -0.426 17762 4891 1 9 . 1 1 44 44 ASN N N 44 120.558 120.558 124.523 -3.965 17762 4892 1 9 . 1 1 44 44 ASN HA H 44 4.770 4.770 4.945 -0.175 17762 4893 1 9 . 1 1 44 44 ASN CA C 44 51.687 51.687 52.898 -1.210 17762 4894 1 9 . 1 1 44 44 ASN CB C 44 41.734 41.734 41.499 0.235 17762 4895 1 9 . 1 1 44 44 ASN H H 44 8.741 8.741 9.179 -0.438 17762 4896 1 9 . 1 1 45 45 THR N N 45 120.658 120.658 118.271 2.387 17762 4897 1 9 . 1 1 45 45 THR HA H 45 5.142 5.142 4.232 0.910 17762 4898 1 9 . 1 1 45 45 THR CA C 45 59.005 59.005 62.366 -3.361 17762 4899 1 9 . 1 1 45 45 THR CB C 45 68.079 68.079 68.538 -0.459 17762 4900 1 9 . 1 1 45 45 THR H H 45 6.938 6.938 8.046 -1.108 17762 4901 1 9 . 1 1 46 46 PHE N N 46 125.168 125.168 126.731 -1.563 17762 4902 1 9 . 1 1 46 46 PHE HA H 46 4.916 4.916 4.365 0.551 17762 4903 1 9 . 1 1 46 46 PHE CA C 46 54.321 54.321 56.721 -2.400 17762 4904 1 9 . 1 1 46 46 PHE CB C 46 26.692 26.692 39.050 -12.358 17762 4905 1 9 . 1 1 46 46 PHE H H 46 9.318 9.318 9.040 0.278 17762 4906 1 9 . 1 1 47 47 VAL N N 47 121.430 121.430 122.782 -1.352 17762 4907 1 9 . 1 1 47 47 VAL HA H 47 4.212 4.212 3.825 0.387 17762 4908 1 9 . 1 1 47 47 VAL CA C 47 59.280 59.280 63.467 -4.187 17762 4909 1 9 . 1 1 47 47 VAL CB C 47 30.025 30.025 31.960 -1.935 17762 4910 1 9 . 1 1 47 47 VAL H H 47 9.333 9.333 8.791 0.542 17762 4911 1 9 . 1 1 48 48 HIS N N 48 125.243 125.243 124.648 0.595 17762 4912 1 9 . 1 1 48 48 HIS HA H 48 5.314 5.314 5.094 0.220 17762 4913 1 9 . 1 1 48 48 HIS CA C 48 51.979 51.979 55.074 -3.095 17762 4914 1 9 . 1 1 48 48 HIS CB C 48 25.634 25.634 29.811 -4.177 17762 4915 1 9 . 1 1 48 48 HIS H H 48 8.772 8.772 9.023 -0.251 17762 4916 1 9 . 1 1 49 49 GLU N N 49 117.070 117.070 121.815 -4.745 17762 4917 1 9 . 1 1 49 49 GLU HA H 49 4.763 4.763 4.677 0.086 17762 4918 1 9 . 1 1 49 49 GLU CA C 49 51.101 51.101 55.219 -4.118 17762 4919 1 9 . 1 1 49 49 GLU CB C 49 28.269 28.269 33.699 -5.430 17762 4920 1 9 . 1 1 49 49 GLU H H 49 6.558 6.558 7.799 -1.241 17762 4921 1 9 . 1 1 50 50 SER N N 50 117.468 117.468 117.440 0.028 17762 4922 1 9 . 1 1 50 50 SER HA H 50 4.240 4.240 4.781 -0.541 17762 4923 1 9 . 1 1 50 50 SER CA C 50 55.199 55.199 57.486 -2.287 17762 4924 1 9 . 1 1 50 50 SER CB C 50 61.932 61.932 64.073 -2.141 17762 4925 1 9 . 1 1 50 50 SER H H 50 9.589 9.589 8.609 0.980 17762 4926 1 9 . 1 1 51 51 LEU N N 51 124.046 124.046 129.287 -5.241 17762 4927 1 9 . 1 1 51 51 LEU HA H 51 4.088 4.088 3.969 0.119 17762 4928 1 9 . 1 1 51 51 LEU CA C 51 55.785 55.785 58.822 -3.037 17762 4929 1 9 . 1 1 51 51 LEU CB C 51 38.514 38.514 42.085 -3.571 17762 4930 1 9 . 1 1 51 51 LEU H H 51 8.783 8.783 9.073 -0.290 17762 4931 1 9 . 1 1 52 52 ALA N N 52 120.494 120.494 119.173 1.321 17762 4932 1 9 . 1 1 52 52 ALA HA H 52 3.959 3.959 3.907 0.052 17762 4933 1 9 . 1 1 52 52 ALA CA C 52 52.858 52.858 54.978 -2.120 17762 4934 1 9 . 1 1 52 52 ALA CB C 52 15.682 15.682 17.868 -2.186 17762 4935 1 9 . 1 1 52 52 ALA H H 52 8.462 8.462 8.153 0.309 17762 4936 1 9 . 1 1 53 53 ASP N N 53 120.265 120.265 119.617 0.648 17762 4937 1 9 . 1 1 53 53 ASP HA H 53 4.372 4.372 4.512 -0.140 17762 4938 1 9 . 1 1 53 53 ASP CA C 53 54.907 54.907 56.727 -1.820 17762 4939 1 9 . 1 1 53 53 ASP CB C 53 37.050 37.050 40.824 -3.774 17762 4940 1 9 . 1 1 53 53 ASP H H 53 7.835 7.835 7.758 0.077 17762 4941 1 9 . 1 1 54 54 VAL N N 54 121.771 121.771 120.327 1.444 17762 4942 1 9 . 1 1 54 54 VAL HA H 54 3.703 3.703 3.601 0.102 17762 4943 1 9 . 1 1 54 54 VAL CA C 54 64.274 64.274 66.850 -2.576 17762 4944 1 9 . 1 1 54 54 VAL CB C 54 29.147 29.147 31.320 -2.173 17762 4945 1 9 . 1 1 54 54 VAL H H 54 7.879 7.879 8.430 -0.551 17762 4946 1 9 . 1 1 55 55 LYS N N 55 119.973 119.973 119.516 0.457 17762 4947 1 9 . 1 1 55 55 LYS HA H 55 3.641 3.641 3.974 -0.333 17762 4948 1 9 . 1 1 55 55 LYS CA C 55 57.839 57.839 59.434 -1.595 17762 4949 1 9 . 1 1 55 55 LYS CB C 55 29.732 29.732 32.376 -2.644 17762 4950 1 9 . 1 1 55 55 LYS H H 55 9.000 9.000 8.397 0.603 17762 4951 1 9 . 1 1 56 56 ALA N N 56 120.213 120.213 121.119 -0.906 17762 4952 1 9 . 1 1 56 56 ALA HA H 56 4.015 4.015 4.110 -0.095 17762 4953 1 9 . 1 1 56 56 ALA CA C 56 51.394 51.394 54.609 -3.215 17762 4954 1 9 . 1 1 56 56 ALA CB C 56 14.803 14.803 18.536 -3.733 17762 4955 1 9 . 1 1 56 56 ALA H H 56 7.534 7.534 7.677 -0.143 17762 4956 1 9 . 1 1 57 57 VAL N N 57 121.006 121.006 119.517 1.489 17762 4957 1 9 . 1 1 57 57 VAL HA H 57 3.203 3.203 3.783 -0.580 17762 4958 1 9 . 1 1 57 57 VAL CA C 57 63.396 63.396 66.772 -3.376 17762 4959 1 9 . 1 1 57 57 VAL CB C 57 28.561 28.561 30.493 -1.932 17762 4960 1 9 . 1 1 57 57 VAL H H 57 7.575 7.575 8.397 -0.822 17762 4961 1 9 . 1 1 58 58 CYS N N 58 113.037 113.037 119.171 -6.134 17762 4962 1 9 . 1 1 58 58 CYS HA H 58 3.520 3.520 3.854 -0.334 17762 4963 1 9 . 1 1 58 58 CYS CA C 58 51.979 51.979 62.268 -10.289 17762 4964 1 9 . 1 1 58 58 CYS CB C 58 36.465 36.465 26.556 9.909 17762 4965 1 9 . 1 1 58 58 CYS H H 58 6.809 6.809 7.945 -1.136 17762 4966 1 9 . 1 1 59 59 SER N N 59 113.164 113.164 112.090 1.074 17762 4967 1 9 . 1 1 59 59 SER HA H 59 4.569 4.569 4.591 -0.022 17762 4968 1 9 . 1 1 59 59 SER CA C 59 55.785 55.785 58.189 -2.404 17762 4969 1 9 . 1 1 59 59 SER CB C 59 61.054 61.054 63.488 -2.434 17762 4970 1 9 . 1 1 59 59 SER H H 59 7.480 7.480 8.043 -0.563 17762 4971 1 9 . 1 1 60 60 GLN N N 60 124.351 124.351 121.205 3.146 17762 4972 1 9 . 1 1 60 60 GLN HA H 60 4.599 4.599 4.354 0.245 17762 4973 1 9 . 1 1 60 60 GLN CA C 60 52.565 52.565 57.896 -5.331 17762 4974 1 9 . 1 1 60 60 GLN CB C 60 22.414 22.414 30.136 -7.722 17762 4975 1 9 . 1 1 60 60 GLN H H 60 7.702 7.702 8.052 -0.350 17762 4976 1 9 . 1 1 61 61 LYS N N 61 122.353 122.353 119.406 2.947 17762 4977 1 9 . 1 1 61 61 LYS HA H 61 4.261 4.261 4.562 -0.301 17762 4978 1 9 . 1 1 61 61 LYS CA C 61 54.614 54.614 54.841 -0.227 17762 4979 1 9 . 1 1 61 61 LYS CB C 61 31.489 31.489 34.055 -2.566 17762 4980 1 9 . 1 1 61 61 LYS H H 61 7.540 7.540 7.924 -0.384 17762 4981 1 9 . 1 1 62 62 LYS N N 62 129.878 129.878 127.657 2.221 17762 4982 1 9 . 1 1 62 62 LYS HA H 62 4.050 4.050 4.320 -0.270 17762 4983 1 9 . 1 1 62 62 LYS CA C 62 54.907 54.907 57.329 -2.422 17762 4984 1 9 . 1 1 62 62 LYS CB C 62 30.318 30.318 32.548 -2.230 17762 4985 1 9 . 1 1 62 62 LYS H H 62 8.408 8.408 8.697 -0.289 17762 4986 1 9 . 1 1 63 63 VAL N N 63 121.631 121.631 123.069 -1.438 17762 4987 1 9 . 1 1 63 63 VAL HA H 63 4.516 4.516 4.564 -0.048 17762 4988 1 9 . 1 1 63 63 VAL CA C 63 56.663 56.663 59.329 -2.666 17762 4989 1 9 . 1 1 63 63 VAL CB C 63 33.538 33.538 35.169 -1.631 17762 4990 1 9 . 1 1 63 63 VAL H H 63 8.317 8.317 8.710 -0.393 17762 4991 1 9 . 1 1 64 64 THR N N 64 116.885 116.885 116.435 0.450 17762 4992 1 9 . 1 1 64 64 THR HA H 64 4.296 4.296 4.443 -0.147 17762 4993 1 9 . 1 1 64 64 THR CA C 64 60.468 60.468 62.133 -1.665 17762 4994 1 9 . 1 1 64 64 THR CB C 64 67.201 67.201 69.321 -2.120 17762 4995 1 9 . 1 1 64 64 THR H H 64 7.965 7.965 8.028 -0.063 17762 4996 1 9 . 1 1 65 65 CYS N N 65 124.789 124.789 125.276 -0.487 17762 4997 1 9 . 1 1 65 65 CYS HA H 65 4.407 4.407 4.256 0.151 17762 4998 1 9 . 1 1 65 65 CYS CA C 65 51.101 51.101 58.972 -7.871 17762 4999 1 9 . 1 1 65 65 CYS CB C 65 36.465 36.465 27.888 8.577 17762 5000 1 9 . 1 1 65 65 CYS H H 65 8.790 8.790 8.867 -0.077 17762 5001 1 9 . 1 1 66 66 LYS N N 66 128.070 128.070 123.895 4.175 17762 5002 1 9 . 1 1 66 66 LYS HA H 66 3.993 3.993 4.094 -0.101 17762 5003 1 9 . 1 1 66 66 LYS CA C 66 56.663 56.663 57.542 -0.880 17762 5004 1 9 . 1 1 66 66 LYS CB C 66 28.854 28.854 30.316 -1.462 17762 5005 1 9 . 1 1 66 66 LYS H H 66 10.959 10.959 8.717 2.242 17762 5006 1 9 . 1 1 67 67 ASP N N 67 117.000 117.000 121.007 -4.007 17762 5007 1 9 . 1 1 67 67 ASP HA H 67 4.459 4.459 4.544 -0.085 17762 5008 1 9 . 1 1 67 67 ASP CA C 67 50.809 50.809 54.993 -4.184 17762 5009 1 9 . 1 1 67 67 ASP CB C 67 37.636 37.636 40.942 -3.306 17762 5010 1 9 . 1 1 67 67 ASP H H 67 8.021 8.021 8.556 -0.535 17762 5011 1 9 . 1 1 68 68 GLY N N 68 108.831 108.831 108.241 0.590 17762 5012 1 9 . 1 1 68 68 GLY CA C 68 42.612 42.612 44.713 -2.101 17762 5013 1 9 . 1 1 68 68 GLY H H 68 8.029 8.029 8.508 -0.479 17762 5014 1 9 . 1 1 69 69 GLN N N 69 120.061 120.061 120.120 -0.059 17762 5015 1 9 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.170 0.187 17762 5016 1 9 . 1 1 69 69 GLN CA C 69 54.264 54.264 57.559 -3.296 17762 5017 1 9 . 1 1 69 69 GLN CB C 69 27.683 27.683 29.514 -1.831 17762 5018 1 9 . 1 1 69 69 GLN H H 69 8.115 8.115 9.169 -1.054 17762 5019 1 9 . 1 1 70 70 THR N N 70 112.531 112.531 114.049 -1.518 17762 5020 1 9 . 1 1 70 70 THR HA H 70 4.475 4.475 4.218 0.257 17762 5021 1 9 . 1 1 70 70 THR CA C 70 58.712 58.712 61.903 -3.191 17762 5022 1 9 . 1 1 70 70 THR CB C 70 67.201 67.201 69.564 -2.363 17762 5023 1 9 . 1 1 70 70 THR H H 70 8.553 8.553 8.079 0.474 17762 5024 1 9 . 1 1 71 71 ASN N N 71 119.619 119.619 119.364 0.255 17762 5025 1 9 . 1 1 71 71 ASN HA H 71 4.847 4.847 4.632 0.215 17762 5026 1 9 . 1 1 71 71 ASN CA C 71 50.516 50.516 52.360 -1.844 17762 5027 1 9 . 1 1 71 71 ASN CB C 71 35.587 35.587 39.725 -4.138 17762 5028 1 9 . 1 1 71 71 ASN H H 71 8.219 8.219 8.359 -0.140 17762 5029 1 9 . 1 1 72 72 CYS N N 72 118.100 118.100 122.938 -4.838 17762 5030 1 9 . 1 1 72 72 CYS HA H 72 5.424 5.424 4.913 0.511 17762 5031 1 9 . 1 1 72 72 CYS CA C 72 56.956 56.956 57.901 -0.945 17762 5032 1 9 . 1 1 72 72 CYS CB C 72 43.198 43.198 29.091 14.107 17762 5033 1 9 . 1 1 72 72 CYS H H 72 7.477 7.477 7.916 -0.439 17762 5034 1 9 . 1 1 73 73 TYR N N 73 119.843 119.843 121.560 -1.717 17762 5035 1 9 . 1 1 73 73 TYR HA H 73 5.121 5.121 4.971 0.150 17762 5036 1 9 . 1 1 73 73 TYR CA C 73 55.199 55.199 56.470 -1.271 17762 5037 1 9 . 1 1 73 73 TYR CB C 73 41.441 41.441 39.705 1.736 17762 5038 1 9 . 1 1 73 73 TYR H H 73 8.983 8.983 9.474 -0.491 17762 5039 1 9 . 1 1 74 74 GLN N N 74 123.174 123.174 125.432 -2.258 17762 5040 1 9 . 1 1 74 74 GLN HA H 74 5.408 5.408 4.865 0.543 17762 5041 1 9 . 1 1 74 74 GLN CA C 74 49.930 49.930 55.066 -5.136 17762 5042 1 9 . 1 1 74 74 GLN H H 74 9.477 9.477 9.059 0.418 17762 5043 1 9 . 1 1 75 75 SER N N 75 122.742 122.742 122.083 0.659 17762 5044 1 9 . 1 1 75 75 SER HA H 75 4.679 4.679 4.444 0.235 17762 5045 1 9 . 1 1 75 75 SER CA C 75 55.764 55.764 59.650 -3.886 17762 5046 1 9 . 1 1 75 75 SER CB C 75 62.424 62.424 64.228 -1.804 17762 5047 1 9 . 1 1 75 75 SER H H 75 9.286 9.286 8.805 0.481 17762 5048 1 9 . 1 1 76 76 LYS N N 76 127.293 127.293 125.774 1.519 17762 5049 1 9 . 1 1 76 76 LYS HA H 76 4.202 4.202 4.029 0.173 17762 5050 1 9 . 1 1 76 76 LYS CA C 76 56.370 56.370 58.956 -2.586 17762 5051 1 9 . 1 1 76 76 LYS CB C 76 30.318 30.318 32.370 -2.052 17762 5052 1 9 . 1 1 76 76 LYS H H 76 8.938 8.938 9.334 -0.396 17762 5053 1 9 . 1 1 77 77 SER N N 77 114.297 114.297 111.592 2.705 17762 5054 1 9 . 1 1 77 77 SER HA H 77 4.888 4.888 4.868 0.020 17762 5055 1 9 . 1 1 77 77 SER CA C 77 53.736 53.736 56.737 -3.001 17762 5056 1 9 . 1 1 77 77 SER CB C 77 62.810 62.810 65.585 -2.775 17762 5057 1 9 . 1 1 77 77 SER H H 77 8.592 8.592 7.717 0.875 17762 5058 1 9 . 1 1 78 78 THR N N 78 113.859 113.859 112.914 0.945 17762 5059 1 9 . 1 1 78 78 THR HA H 78 3.254 3.254 4.108 -0.854 17762 5060 1 9 . 1 1 78 78 THR CA C 78 59.883 59.883 63.096 -3.213 17762 5061 1 9 . 1 1 78 78 THR CB C 78 66.908 66.908 69.086 -2.178 17762 5062 1 9 . 1 1 78 78 THR H H 78 8.134 8.134 8.240 -0.106 17762 5063 1 9 . 1 1 79 79 MET N N 79 121.299 121.299 121.673 -0.374 17762 5064 1 9 . 1 1 79 79 MET HA H 79 4.643 4.643 4.791 -0.148 17762 5065 1 9 . 1 1 79 79 MET CA C 79 52.858 52.858 54.556 -1.698 17762 5066 1 9 . 1 1 79 79 MET CB C 79 34.416 34.416 37.649 -3.233 17762 5067 1 9 . 1 1 79 79 MET H H 79 8.508 8.508 8.705 -0.197 17762 5068 1 9 . 1 1 80 80 ARG N N 80 122.767 122.767 121.198 1.569 17762 5069 1 9 . 1 1 80 80 ARG HA H 80 4.376 4.376 4.685 -0.309 17762 5070 1 9 . 1 1 80 80 ARG CA C 80 54.907 54.907 56.020 -1.113 17762 5071 1 9 . 1 1 80 80 ARG CB C 80 27.391 27.391 30.190 -2.799 17762 5072 1 9 . 1 1 80 80 ARG H H 80 9.508 9.508 9.622 -0.114 17762 5073 1 9 . 1 1 81 81 ILE N N 81 120.594 120.594 123.638 -3.044 17762 5074 1 9 . 1 1 81 81 ILE HA H 81 5.284 5.284 4.718 0.566 17762 5075 1 9 . 1 1 81 81 ILE CA C 81 56.663 56.663 59.983 -3.320 17762 5076 1 9 . 1 1 81 81 ILE CB C 81 39.978 39.978 41.544 -1.566 17762 5077 1 9 . 1 1 81 81 ILE H H 81 8.645 8.645 9.328 -0.683 17762 5078 1 9 . 1 1 82 82 THR N N 82 119.200 119.200 117.486 1.714 17762 5079 1 9 . 1 1 82 82 THR HA H 82 5.020 5.020 4.912 0.108 17762 5080 1 9 . 1 1 82 82 THR CA C 82 60.176 60.176 60.195 -0.019 17762 5081 1 9 . 1 1 82 82 THR CB C 82 68.372 68.372 68.632 -0.260 17762 5082 1 9 . 1 1 82 82 THR H H 82 9.256 9.256 8.835 0.421 17762 5083 1 9 . 1 1 83 83 ASP N N 83 127.841 127.841 126.566 1.275 17762 5084 1 9 . 1 1 83 83 ASP HA H 83 5.029 5.029 4.625 0.404 17762 5085 1 9 . 1 1 83 83 ASP CA C 83 51.101 51.101 55.679 -4.578 17762 5086 1 9 . 1 1 83 83 ASP CB C 83 40.563 40.563 43.195 -2.632 17762 5087 1 9 . 1 1 83 83 ASP H H 83 9.241 9.241 8.776 0.465 17762 5088 1 9 . 1 1 84 84 CYS N N 84 122.123 122.123 121.478 0.645 17762 5089 1 9 . 1 1 84 84 CYS HA H 84 5.940 5.940 5.345 0.595 17762 5090 1 9 . 1 1 84 84 CYS CA C 84 49.345 49.345 57.808 -8.463 17762 5091 1 9 . 1 1 84 84 CYS CB C 84 36.465 36.465 29.882 6.583 17762 5092 1 9 . 1 1 84 84 CYS H H 84 8.808 8.808 8.903 -0.095 17762 5093 1 9 . 1 1 85 85 ARG N N 85 122.200 122.200 127.160 -4.960 17762 5094 1 9 . 1 1 85 85 ARG HA H 85 5.412 5.412 5.390 0.022 17762 5095 1 9 . 1 1 85 85 ARG CA C 85 52.272 52.272 54.352 -2.079 17762 5096 1 9 . 1 1 85 85 ARG CB C 85 30.903 30.903 35.324 -4.421 17762 5097 1 9 . 1 1 85 85 ARG H H 85 8.204 8.204 9.425 -1.221 17762 5098 1 9 . 1 1 86 86 GLU N N 86 128.674 128.674 126.530 2.144 17762 5099 1 9 . 1 1 86 86 GLU HA H 86 4.288 4.288 4.316 -0.028 17762 5100 1 9 . 1 1 86 86 GLU CA C 86 55.199 55.199 57.417 -2.218 17762 5101 1 9 . 1 1 86 86 GLU CB C 86 29.732 29.732 30.236 -0.504 17762 5102 1 9 . 1 1 86 86 GLU H H 86 8.762 8.762 8.498 0.264 17762 5103 1 9 . 1 1 87 87 THR N N 87 115.660 115.660 117.123 -1.463 17762 5104 1 9 . 1 1 87 87 THR HA H 87 4.507 4.507 4.526 -0.019 17762 5105 1 9 . 1 1 87 87 THR CA C 87 58.127 58.127 60.643 -2.516 17762 5106 1 9 . 1 1 87 87 THR CB C 87 68.665 68.665 71.001 -2.336 17762 5107 1 9 . 1 1 87 87 THR H H 87 8.118 8.118 9.044 -0.926 17762 5108 1 9 . 1 1 88 88 GLY N N 88 107.768 107.768 108.378 -0.610 17762 5109 1 9 . 1 1 88 88 GLY CA C 88 43.490 43.490 46.072 -2.582 17762 5110 1 9 . 1 1 88 88 GLY H H 88 8.774 8.774 8.302 0.472 17762 5111 1 9 . 1 1 89 89 SER N N 89 112.931 112.931 113.689 -0.758 17762 5112 1 9 . 1 1 89 89 SER HA H 89 4.503 4.503 4.121 0.382 17762 5113 1 9 . 1 1 89 89 SER CA C 89 55.199 55.199 58.539 -3.340 17762 5114 1 9 . 1 1 89 89 SER CB C 89 61.054 61.054 62.380 -1.326 17762 5115 1 9 . 1 1 89 89 SER H H 89 7.597 7.597 8.302 -0.705 17762 5116 1 9 . 1 1 90 90 SER N N 90 118.245 118.245 114.931 3.314 17762 5117 1 9 . 1 1 90 90 SER HA H 90 3.943 3.943 4.218 -0.275 17762 5118 1 9 . 1 1 90 90 SER CA C 90 56.370 56.370 59.178 -2.808 17762 5119 1 9 . 1 1 90 90 SER CB C 90 60.468 60.468 63.909 -3.441 17762 5120 1 9 . 1 1 90 90 SER H H 90 6.989 6.989 7.833 -0.844 17762 5121 1 9 . 1 1 91 91 LYS N N 91 129.777 129.777 125.776 4.001 17762 5122 1 9 . 1 1 91 91 LYS HA H 91 4.431 4.431 4.586 -0.155 17762 5123 1 9 . 1 1 91 91 LYS CA C 91 53.443 53.443 54.674 -1.231 17762 5124 1 9 . 1 1 91 91 LYS CB C 91 31.489 31.489 32.878 -1.389 17762 5125 1 9 . 1 1 91 91 LYS H H 91 7.527 7.527 8.619 -1.092 17762 5126 1 9 . 1 1 92 92 TYR N N 92 131.912 131.912 123.299 8.613 17762 5127 1 9 . 1 1 92 92 TYR HA H 92 3.718 3.718 4.308 -0.590 17762 5128 1 9 . 1 1 92 92 TYR CA C 92 56.078 56.078 57.862 -1.784 17762 5129 1 9 . 1 1 92 92 TYR CB C 92 35.880 35.880 38.298 -2.418 17762 5130 1 9 . 1 1 92 92 TYR H H 92 9.290 9.290 8.305 0.985 17762 5131 1 9 . 1 1 93 93 PRO HA H 93 3.028 3.028 3.358 -0.330 17762 5132 1 9 . 1 1 93 93 PRO CA C 93 61.347 61.347 63.196 -1.849 17762 5133 1 9 . 1 1 93 93 PRO CB C 93 31.196 31.196 31.991 -0.795 17762 5134 1 9 . 1 1 94 94 ASN N N 94 130.934 130.934 120.467 10.467 17762 5135 1 9 . 1 1 94 94 ASN HA H 94 4.943 4.943 4.731 0.212 17762 5136 1 9 . 1 1 94 94 ASN CA C 94 49.630 49.630 53.146 -3.516 17762 5137 1 9 . 1 1 94 94 ASN CB C 94 35.001 35.001 37.462 -2.461 17762 5138 1 9 . 1 1 94 94 ASN H H 94 8.823 8.823 8.308 0.515 17762 5139 1 9 . 1 1 95 95 CYS N N 95 122.402 122.402 117.115 5.287 17762 5140 1 9 . 1 1 95 95 CYS HA H 95 4.840 4.840 4.524 0.316 17762 5141 1 9 . 1 1 95 95 CYS CA C 95 50.516 50.516 57.724 -7.208 17762 5142 1 9 . 1 1 95 95 CYS CB C 95 35.880 35.880 27.859 8.021 17762 5143 1 9 . 1 1 95 95 CYS H H 95 7.687 7.687 8.104 -0.417 17762 5144 1 9 . 1 1 96 96 ALA N N 96 129.346 129.346 127.356 1.990 17762 5145 1 9 . 1 1 96 96 ALA HA H 96 4.746 4.746 4.739 0.007 17762 5146 1 9 . 1 1 96 96 ALA CA C 96 49.052 49.052 50.658 -1.606 17762 5147 1 9 . 1 1 96 96 ALA CB C 96 19.194 19.194 19.601 -0.407 17762 5148 1 9 . 1 1 96 96 ALA H H 96 8.634 8.634 8.542 0.092 17762 5149 1 9 . 1 1 97 97 TYR N N 97 118.353 118.353 122.982 -4.629 17762 5150 1 9 . 1 1 97 97 TYR HA H 97 4.904 4.904 5.110 -0.206 17762 5151 1 9 . 1 1 97 97 TYR CA C 97 55.785 55.785 58.941 -3.156 17762 5152 1 9 . 1 1 97 97 TYR CB C 97 41.441 41.441 39.740 1.701 17762 5153 1 9 . 1 1 97 97 TYR H H 97 9.368 9.368 8.556 0.812 17762 5154 1 9 . 1 1 98 98 LYS N N 98 125.559 125.559 123.502 2.057 17762 5155 1 9 . 1 1 98 98 LYS HA H 98 4.743 4.743 4.681 0.062 17762 5156 1 9 . 1 1 98 98 LYS CA C 98 52.565 52.565 53.780 -1.215 17762 5157 1 9 . 1 1 98 98 LYS CB C 98 31.489 31.489 36.214 -4.725 17762 5158 1 9 . 1 1 98 98 LYS H H 98 9.427 9.427 9.197 0.230 17762 5159 1 9 . 1 1 99 99 THR N N 99 126.667 126.667 119.822 6.845 17762 5160 1 9 . 1 1 99 99 THR HA H 99 5.243 5.243 5.169 0.074 17762 5161 1 9 . 1 1 99 99 THR CA C 99 60.176 60.176 61.195 -1.019 17762 5162 1 9 . 1 1 99 99 THR CB C 99 68.665 68.665 70.484 -1.819 17762 5163 1 9 . 1 1 99 99 THR H H 99 9.055 9.055 8.422 0.633 17762 5164 1 9 . 1 1 100 100 THR N N 100 124.517 124.517 120.077 4.440 17762 5165 1 9 . 1 1 100 100 THR HA H 100 4.637 4.637 4.525 0.112 17762 5166 1 9 . 1 1 100 100 THR CA C 100 59.883 59.883 61.710 -1.827 17762 5167 1 9 . 1 1 100 100 THR CB C 100 68.372 68.372 70.587 -2.215 17762 5168 1 9 . 1 1 100 100 THR H H 100 8.855 8.855 8.873 -0.018 17762 5169 1 9 . 1 1 101 101 GLN N N 101 128.586 128.586 129.045 -0.459 17762 5170 1 9 . 1 1 101 101 GLN HA H 101 5.180 5.180 4.914 0.266 17762 5171 1 9 . 1 1 101 101 GLN CA C 101 53.150 53.150 55.531 -2.381 17762 5172 1 9 . 1 1 101 101 GLN CB C 101 27.098 27.098 29.433 -2.334 17762 5173 1 9 . 1 1 101 101 GLN H H 101 8.823 8.823 8.719 0.104 17762 5174 1 9 . 1 1 102 102 VAL N N 102 121.495 121.495 121.687 -0.192 17762 5175 1 9 . 1 1 102 102 VAL HA H 102 4.639 4.639 4.704 -0.065 17762 5176 1 9 . 1 1 102 102 VAL CA C 102 57.834 57.834 59.779 -1.945 17762 5177 1 9 . 1 1 102 102 VAL CB C 102 34.123 34.123 35.221 -1.099 17762 5178 1 9 . 1 1 102 102 VAL H H 102 8.643 8.643 9.076 -0.433 17762 5179 1 9 . 1 1 103 103 GLU N N 103 122.031 122.031 118.711 3.320 17762 5180 1 9 . 1 1 103 103 GLU HA H 103 5.400 5.400 5.331 0.069 17762 5181 1 9 . 1 1 103 103 GLU CA C 103 52.565 52.565 54.650 -2.085 17762 5182 1 9 . 1 1 103 103 GLU CB C 103 28.269 28.269 31.800 -3.531 17762 5183 1 9 . 1 1 103 103 GLU H H 103 8.068 8.068 8.453 -0.385 17762 5184 1 9 . 1 1 104 104 LYS N N 104 122.283 122.283 122.579 -0.296 17762 5185 1 9 . 1 1 104 104 LYS HA H 104 4.795 4.795 4.616 0.179 17762 5186 1 9 . 1 1 104 104 LYS CA C 104 51.979 51.979 54.498 -2.519 17762 5187 1 9 . 1 1 104 104 LYS CB C 104 37.050 37.050 37.001 0.049 17762 5188 1 9 . 1 1 104 104 LYS H H 104 8.336 8.336 8.841 -0.505 17762 5189 1 9 . 1 1 105 105 HIS N N 105 119.366 119.366 119.997 -0.631 17762 5190 1 9 . 1 1 105 105 HIS HA H 105 4.407 4.407 4.851 -0.444 17762 5191 1 9 . 1 1 105 105 HIS CA C 105 54.321 54.321 56.197 -1.876 17762 5192 1 9 . 1 1 105 105 HIS CB C 105 25.341 25.341 28.892 -3.551 17762 5193 1 9 . 1 1 105 105 HIS H H 105 9.202 9.202 8.669 0.533 17762 5194 1 9 . 1 1 106 106 ILE N N 106 114.175 114.175 120.013 -5.838 17762 5195 1 9 . 1 1 106 106 ILE HA H 106 4.997 4.997 4.187 0.810 17762 5196 1 9 . 1 1 106 106 ILE CA C 106 57.541 57.541 62.600 -5.059 17762 5197 1 9 . 1 1 106 106 ILE CB C 106 38.807 38.807 38.556 0.251 17762 5198 1 9 . 1 1 106 106 ILE H H 106 8.447 8.447 8.457 -0.010 17762 5199 1 9 . 1 1 107 107 ILE N N 107 122.400 122.400 125.483 -3.083 17762 5200 1 9 . 1 1 107 107 ILE HA H 107 5.296 5.296 4.800 0.496 17762 5201 1 9 . 1 1 107 107 ILE CA C 107 57.541 57.541 58.731 -1.190 17762 5202 1 9 . 1 1 107 107 ILE CB C 107 36.758 36.758 36.923 -0.165 17762 5203 1 9 . 1 1 107 107 ILE H H 107 8.314 8.314 8.936 -0.622 17762 5204 1 9 . 1 1 108 108 VAL N N 108 118.187 118.187 123.970 -5.783 17762 5205 1 9 . 1 1 108 108 VAL HA H 108 4.888 4.888 4.689 0.199 17762 5206 1 9 . 1 1 108 108 VAL CA C 108 55.199 55.199 59.366 -4.167 17762 5207 1 9 . 1 1 108 108 VAL CB C 108 32.074 32.074 33.822 -1.748 17762 5208 1 9 . 1 1 108 108 VAL H H 108 8.907 8.907 9.218 -0.311 17762 5209 1 9 . 1 1 109 109 ALA N N 109 122.660 122.660 122.336 0.324 17762 5210 1 9 . 1 1 109 109 ALA HA H 109 5.296 5.296 5.258 0.038 17762 5211 1 9 . 1 1 109 109 ALA CA C 109 48.174 48.174 50.076 -1.902 17762 5212 1 9 . 1 1 109 109 ALA CB C 109 19.194 19.194 20.868 -1.674 17762 5213 1 9 . 1 1 109 109 ALA H H 109 8.706 8.706 8.505 0.202 17762 5214 1 9 . 1 1 110 110 CYS N N 110 120.404 120.404 123.468 -3.064 17762 5215 1 9 . 1 1 110 110 CYS HA H 110 5.680 5.680 5.495 0.185 17762 5216 1 9 . 1 1 110 110 CYS CA C 110 53.443 53.443 56.797 -3.354 17762 5217 1 9 . 1 1 110 110 CYS CB C 110 47.003 47.003 29.649 17.354 17762 5218 1 9 . 1 1 110 110 CYS H H 110 8.797 8.797 9.159 -0.362 17762 5219 1 9 . 1 1 111 111 GLY N N 111 111.123 111.123 111.614 -0.491 17762 5220 1 9 . 1 1 111 111 GLY CA C 111 42.905 42.905 45.701 -2.796 17762 5221 1 9 . 1 1 111 111 GLY H H 111 9.107 9.107 8.605 0.502 17762 5222 1 9 . 1 1 112 112 GLY N N 112 107.554 107.554 107.469 0.085 17762 5223 1 9 . 1 1 112 112 GLY CA C 112 40.856 40.856 44.970 -4.114 17762 5224 1 9 . 1 1 112 112 GLY H H 112 8.206 8.206 8.232 -0.026 17762 5225 1 9 . 1 1 113 113 LYS N N 113 118.578 118.578 119.965 -1.387 17762 5226 1 9 . 1 1 113 113 LYS HA H 113 4.384 4.384 4.132 0.252 17762 5227 1 9 . 1 1 113 113 LYS CA C 113 51.100 51.100 55.494 -4.394 17762 5228 1 9 . 1 1 113 113 LYS CB C 113 32.367 32.367 32.001 0.366 17762 5229 1 9 . 1 1 113 113 LYS H H 113 7.774 7.774 8.105 -0.331 17762 5230 1 9 . 1 1 114 114 PRO HA H 114 4.615 4.615 4.493 0.122 17762 5231 1 9 . 1 1 114 114 PRO C C 114 3.597 3.597 176.002 -172.405 17762 5232 1 9 . 1 1 114 114 PRO CA C 114 60.448 60.448 61.757 -1.309 17762 5233 1 9 . 1 1 114 114 PRO CB C 114 31.781 31.781 32.380 -0.599 17762 5234 1 9 . 1 1 115 115 SER N N 115 116.201 116.201 116.486 -0.285 17762 5235 1 9 . 1 1 115 115 SER HA H 115 3.954 3.954 4.285 -0.331 17762 5236 1 9 . 1 1 115 115 SER CA C 115 56.078 56.078 58.547 -2.469 17762 5237 1 9 . 1 1 115 115 SER CB C 115 60.761 60.761 62.064 -1.303 17762 5238 1 9 . 1 1 115 115 SER H H 115 8.201 8.201 8.291 -0.090 17762 5239 1 9 . 1 1 116 116 VAL N N 116 120.540 120.540 116.243 4.297 17762 5240 1 9 . 1 1 116 116 VAL HA H 116 4.858 4.858 4.726 0.132 17762 5241 1 9 . 1 1 116 116 VAL CA C 116 56.078 56.078 57.541 -1.463 17762 5242 1 9 . 1 1 116 116 VAL CB C 116 31.196 31.196 33.774 -2.578 17762 5243 1 9 . 1 1 116 116 VAL H H 116 8.511 8.511 7.860 0.651 17762 5244 1 9 . 1 1 117 117 PRO HA H 117 4.508 4.508 4.573 -0.065 17762 5245 1 9 . 1 1 117 117 PRO CA C 117 60.468 60.468 62.979 -2.511 17762 5246 1 9 . 1 1 117 117 PRO CB C 117 27.391 27.391 32.223 -4.832 17762 5247 1 9 . 1 1 118 118 VAL N N 118 111.972 111.972 114.899 -2.927 17762 5248 1 9 . 1 1 118 118 VAL HA H 118 4.532 4.532 4.311 0.221 17762 5249 1 9 . 1 1 118 118 VAL CA C 118 58.419 58.419 61.375 -2.956 17762 5250 1 9 . 1 1 118 118 VAL CB C 118 31.781 31.781 33.169 -1.388 17762 5251 1 9 . 1 1 118 118 VAL H H 118 8.927 8.927 8.780 0.147 17762 5252 1 9 . 1 1 119 119 HIS N N 119 121.264 121.264 116.784 4.480 17762 5253 1 9 . 1 1 119 119 HIS HA H 119 5.324 5.324 4.052 1.272 17762 5254 1 9 . 1 1 119 119 HIS CA C 119 53.443 53.443 54.444 -1.001 17762 5255 1 9 . 1 1 119 119 HIS CB C 119 30.025 30.025 34.126 -4.101 17762 5256 1 9 . 1 1 119 119 HIS H H 119 7.616 7.616 7.639 -0.023 17762 5257 1 9 . 1 1 120 120 PHE HA H 120 4.283 4.283 4.707 -0.424 17762 5258 1 9 . 1 1 120 120 PHE CA C 120 55.785 55.785 56.530 -0.745 17762 5259 1 9 . 1 1 120 120 PHE CB C 120 36.172 36.172 42.231 -6.059 17762 5260 1 9 . 1 1 121 121 ASP N N 121 131.399 131.399 126.293 5.106 17762 5261 1 9 . 1 1 121 121 ASP HA H 121 4.668 4.668 4.522 0.146 17762 5262 1 9 . 1 1 121 121 ASP CA C 121 54.614 54.614 53.917 0.697 17762 5263 1 9 . 1 1 121 121 ASP CB C 121 44.076 44.076 42.950 1.125 17762 5264 1 9 . 1 1 121 121 ASP H H 121 8.644 8.644 8.628 0.016 17762 5265 1 9 . 1 1 122 122 ALA N N 122 116.961 116.961 117.812 -0.851 17762 5266 1 9 . 1 1 122 122 ALA HA H 122 4.491 4.491 4.190 0.301 17762 5267 1 9 . 1 1 122 122 ALA CA C 122 49.345 49.345 51.358 -2.013 17762 5268 1 9 . 1 1 122 122 ALA CB C 122 19.194 19.194 20.910 -1.716 17762 5269 1 9 . 1 1 122 122 ALA H H 122 7.419 7.419 6.693 0.726 17762 5270 1 9 . 1 1 123 123 SER N N 123 112.579 112.579 115.144 -2.565 17762 5271 1 9 . 1 1 123 123 SER HA H 123 5.325 5.325 5.566 -0.241 17762 5272 1 9 . 1 1 123 123 SER CA C 123 54.321 54.321 57.647 -3.326 17762 5273 1 9 . 1 1 123 123 SER CB C 123 63.981 63.981 65.495 -1.514 17762 5274 1 9 . 1 1 123 123 SER H H 123 8.092 8.092 8.498 -0.406 17762 5275 1 10 . 1 1 2 2 GLU N N 2 126.119 126.119 121.472 4.647 17762 5276 1 10 . 1 1 2 2 GLU HA H 2 4.370 4.370 4.565 -0.195 17762 5277 1 10 . 1 1 2 2 GLU CA C 2 53.440 53.440 56.376 -2.936 17762 5278 1 10 . 1 1 2 2 GLU CB C 2 29.147 29.147 30.734 -1.587 17762 5279 1 10 . 1 1 2 2 GLU H H 2 8.448 8.448 8.609 -0.161 17762 5280 1 10 . 1 1 3 3 SER N N 3 124.530 124.530 119.003 5.527 17762 5281 1 10 . 1 1 3 3 SER HA H 3 4.500 4.500 4.601 -0.101 17762 5282 1 10 . 1 1 3 3 SER CA C 3 54.907 54.907 58.144 -3.237 17762 5283 1 10 . 1 1 3 3 SER CB C 3 62.511 62.511 63.666 -1.155 17762 5284 1 10 . 1 1 3 3 SER H H 3 8.755 8.755 8.711 0.044 17762 5285 1 10 . 1 1 4 4 ALA N N 4 125.341 125.341 124.159 1.182 17762 5286 1 10 . 1 1 4 4 ALA HA H 4 4.216 4.216 3.940 0.276 17762 5287 1 10 . 1 1 4 4 ALA CA C 4 52.858 52.858 54.630 -1.772 17762 5288 1 10 . 1 1 4 4 ALA CB C 4 15.389 15.389 17.311 -1.922 17762 5289 1 10 . 1 1 4 4 ALA H H 4 8.961 8.961 8.399 0.562 17762 5290 1 10 . 1 1 5 5 ALA N N 5 121.896 121.896 123.014 -1.118 17762 5291 1 10 . 1 1 5 5 ALA HA H 5 4.375 4.375 4.303 0.072 17762 5292 1 10 . 1 1 5 5 ALA CA C 5 52.565 52.565 55.324 -2.759 17762 5293 1 10 . 1 1 5 5 ALA CB C 5 15.974 15.974 18.619 -2.645 17762 5294 1 10 . 1 1 5 5 ALA H H 5 8.659 8.659 8.342 0.317 17762 5295 1 10 . 1 1 6 6 ALA N N 6 123.734 123.734 120.797 2.937 17762 5296 1 10 . 1 1 6 6 ALA HA H 6 4.216 4.216 4.208 0.008 17762 5297 1 10 . 1 1 6 6 ALA CA C 6 52.272 52.272 55.109 -2.837 17762 5298 1 10 . 1 1 6 6 ALA CB C 6 15.389 15.389 18.045 -2.656 17762 5299 1 10 . 1 1 6 6 ALA H H 6 8.009 8.009 8.642 -0.633 17762 5300 1 10 . 1 1 7 7 LYS N N 7 123.118 123.118 119.716 3.402 17762 5301 1 10 . 1 1 7 7 LYS HA H 7 4.025 4.025 4.043 -0.018 17762 5302 1 10 . 1 1 7 7 LYS CA C 7 57.834 57.834 59.272 -1.438 17762 5303 1 10 . 1 1 7 7 LYS CB C 7 29.732 29.732 32.499 -2.767 17762 5304 1 10 . 1 1 7 7 LYS H H 7 8.737 8.737 7.556 1.181 17762 5305 1 10 . 1 1 8 8 PHE N N 8 120.604 120.604 120.577 0.027 17762 5306 1 10 . 1 1 8 8 PHE HA H 8 4.388 4.388 4.247 0.141 17762 5307 1 10 . 1 1 8 8 PHE CA C 8 59.298 59.298 60.778 -1.480 17762 5308 1 10 . 1 1 8 8 PHE CB C 8 36.465 36.465 38.620 -2.155 17762 5309 1 10 . 1 1 8 8 PHE H H 8 8.058 8.058 8.704 -0.646 17762 5310 1 10 . 1 1 9 9 GLU N N 9 119.978 119.978 120.493 -0.515 17762 5311 1 10 . 1 1 9 9 GLU HA H 9 3.742 3.742 3.426 0.316 17762 5312 1 10 . 1 1 9 9 GLU CA C 9 58.127 58.127 59.707 -1.580 17762 5313 1 10 . 1 1 9 9 GLU CB C 9 35.001 35.001 29.295 5.706 17762 5314 1 10 . 1 1 9 9 GLU H H 9 7.922 7.922 8.518 -0.596 17762 5315 1 10 . 1 1 10 10 ARG N N 10 120.914 120.914 116.570 4.344 17762 5316 1 10 . 1 1 10 10 ARG HA H 10 4.197 4.197 3.903 0.294 17762 5317 1 10 . 1 1 10 10 ARG CA C 10 56.663 56.663 57.859 -1.196 17762 5318 1 10 . 1 1 10 10 ARG CB C 10 27.683 27.683 29.835 -2.152 17762 5319 1 10 . 1 1 10 10 ARG H H 10 8.323 8.323 8.082 0.241 17762 5320 1 10 . 1 1 11 11 GLN N N 11 112.201 112.201 114.285 -2.084 17762 5321 1 10 . 1 1 11 11 GLN HA H 11 3.787 3.787 3.972 -0.185 17762 5322 1 10 . 1 1 11 11 GLN CA C 11 55.492 55.492 58.350 -2.858 17762 5323 1 10 . 1 1 11 11 GLN CB C 11 26.805 26.805 29.572 -2.767 17762 5324 1 10 . 1 1 11 11 GLN H H 11 8.425 8.425 8.095 0.330 17762 5325 1 10 . 1 1 12 12 HIS N N 12 106.607 106.607 114.211 -7.604 17762 5326 1 10 . 1 1 12 12 HIS HA H 12 4.943 4.943 4.550 0.393 17762 5327 1 10 . 1 1 12 12 HIS CA C 12 52.272 52.272 55.776 -3.504 17762 5328 1 10 . 1 1 12 12 HIS CB C 12 27.680 27.680 31.457 -3.777 17762 5329 1 10 . 1 1 12 12 HIS H H 12 7.708 7.708 7.995 -0.287 17762 5330 1 10 . 1 1 13 13 MET N N 13 117.217 117.217 120.901 -3.684 17762 5331 1 10 . 1 1 13 13 MET HA H 13 5.460 5.460 3.860 1.600 17762 5332 1 10 . 1 1 13 13 MET CA C 13 50.516 50.516 55.259 -4.743 17762 5333 1 10 . 1 1 13 13 MET CB C 13 27.098 27.098 31.670 -4.572 17762 5334 1 10 . 1 1 13 13 MET H H 13 8.037 8.037 7.664 0.373 17762 5335 1 10 . 1 1 14 14 ASP N N 14 123.910 123.910 127.336 -3.426 17762 5336 1 10 . 1 1 14 14 ASP HA H 14 5.024 5.024 4.291 0.733 17762 5337 1 10 . 1 1 14 14 ASP CA C 14 51.101 51.101 54.442 -3.341 17762 5338 1 10 . 1 1 14 14 ASP CB C 14 37.636 37.636 42.115 -4.479 17762 5339 1 10 . 1 1 14 14 ASP H H 14 8.805 8.805 8.517 0.288 17762 5340 1 10 . 1 1 15 15 SER N N 15 121.832 121.832 112.181 9.651 17762 5341 1 10 . 1 1 15 15 SER HA H 15 4.202 4.202 3.402 0.800 17762 5342 1 10 . 1 1 15 15 SER CA C 15 58.127 58.127 59.073 -0.946 17762 5343 1 10 . 1 1 15 15 SER CB C 15 61.347 61.347 62.745 -1.398 17762 5344 1 10 . 1 1 15 15 SER H H 15 8.943 8.943 7.786 1.157 17762 5345 1 10 . 1 1 16 16 GLY N N 16 111.703 111.703 108.516 3.187 17762 5346 1 10 . 1 1 16 16 GLY CA C 16 42.905 42.905 45.265 -2.360 17762 5347 1 10 . 1 1 16 16 GLY H H 16 8.586 8.586 8.417 0.169 17762 5348 1 10 . 1 1 17 17 ASN N N 17 119.334 119.334 117.594 1.740 17762 5349 1 10 . 1 1 17 17 ASN HA H 17 4.660 4.660 4.853 -0.193 17762 5350 1 10 . 1 1 17 17 ASN CA C 17 50.223 50.223 52.942 -2.719 17762 5351 1 10 . 1 1 17 17 ASN CB C 17 37.346 37.346 40.380 -3.034 17762 5352 1 10 . 1 1 17 17 ASN H H 17 7.983 7.983 8.487 -0.504 17762 5353 1 10 . 1 1 18 18 SER N N 18 117.557 117.557 114.871 2.686 17762 5354 1 10 . 1 1 18 18 SER HA H 18 4.187 4.187 4.915 -0.728 17762 5355 1 10 . 1 1 18 18 SER CA C 18 53.443 53.443 57.219 -3.776 17762 5356 1 10 . 1 1 18 18 SER CB C 18 60.468 60.468 64.436 -3.968 17762 5357 1 10 . 1 1 18 18 SER H H 18 8.291 8.291 8.320 -0.029 17762 5358 1 10 . 1 1 19 19 PRO HA H 19 4.204 4.204 4.620 -0.416 17762 5359 1 10 . 1 1 19 19 PRO CA C 19 60.468 60.468 63.116 -2.648 17762 5360 1 10 . 1 1 19 19 PRO CB C 19 29.147 29.147 30.395 -1.248 17762 5361 1 10 . 1 1 20 20 SER N N 20 115.589 115.589 121.244 -5.655 17762 5362 1 10 . 1 1 20 20 SER HA H 20 4.370 4.370 4.024 0.346 17762 5363 1 10 . 1 1 20 20 SER CA C 20 54.907 54.907 60.556 -5.649 17762 5364 1 10 . 1 1 20 20 SER CB C 20 61.347 61.347 61.638 -0.291 17762 5365 1 10 . 1 1 20 20 SER H H 20 8.118 8.118 8.898 -0.780 17762 5366 1 10 . 1 1 21 21 SER N N 21 118.787 118.787 119.472 -0.685 17762 5367 1 10 . 1 1 21 21 SER HA H 21 4.398 4.398 3.871 0.527 17762 5368 1 10 . 1 1 21 21 SER CA C 21 56.370 56.370 60.528 -4.158 17762 5369 1 10 . 1 1 21 21 SER CB C 21 61.639 61.639 62.099 -0.460 17762 5370 1 10 . 1 1 21 21 SER H H 21 8.406 8.406 8.382 0.024 17762 5371 1 10 . 1 1 22 22 SER N N 22 116.967 116.967 115.612 1.355 17762 5372 1 10 . 1 1 22 22 SER HA H 22 4.579 4.579 3.791 0.788 17762 5373 1 10 . 1 1 22 22 SER CA C 22 56.076 56.076 61.295 -5.219 17762 5374 1 10 . 1 1 22 22 SER CB C 22 61.054 61.054 61.481 -0.427 17762 5375 1 10 . 1 1 22 22 SER H H 22 8.278 8.278 8.214 0.064 17762 5376 1 10 . 1 1 23 23 SER N N 23 119.166 119.166 117.890 1.276 17762 5377 1 10 . 1 1 23 23 SER HA H 23 4.520 4.520 3.918 0.602 17762 5378 1 10 . 1 1 23 23 SER CA C 23 57.956 57.956 60.905 -2.949 17762 5379 1 10 . 1 1 23 23 SER CB C 23 61.639 61.639 62.974 -1.335 17762 5380 1 10 . 1 1 23 23 SER H H 23 8.376 8.376 8.313 0.063 17762 5381 1 10 . 1 1 24 24 ASN N N 24 120.511 120.511 120.615 -0.104 17762 5382 1 10 . 1 1 24 24 ASN HA H 24 4.940 4.940 4.408 0.532 17762 5383 1 10 . 1 1 24 24 ASN CA C 24 50.516 50.516 55.910 -5.394 17762 5384 1 10 . 1 1 24 24 ASN CB C 24 36.758 36.758 37.750 -0.992 17762 5385 1 10 . 1 1 24 24 ASN H H 24 8.483 8.483 8.285 0.198 17762 5386 1 10 . 1 1 25 25 TYR N N 25 121.549 121.549 118.979 2.570 17762 5387 1 10 . 1 1 25 25 TYR HA H 25 3.941 3.941 4.362 -0.421 17762 5388 1 10 . 1 1 25 25 TYR CA C 25 59.883 59.883 60.128 -0.245 17762 5389 1 10 . 1 1 25 25 TYR CB C 25 36.465 36.465 36.930 -0.465 17762 5390 1 10 . 1 1 25 25 TYR H H 25 7.765 7.765 7.338 0.427 17762 5391 1 10 . 1 1 26 26 CYS N N 26 115.301 115.301 118.996 -3.695 17762 5392 1 10 . 1 1 26 26 CYS HA H 26 3.784 3.784 3.966 -0.182 17762 5393 1 10 . 1 1 26 26 CYS CA C 26 59.005 59.005 63.006 -4.001 17762 5394 1 10 . 1 1 26 26 CYS CB C 26 37.636 37.636 25.896 11.740 17762 5395 1 10 . 1 1 26 26 CYS H H 26 7.800 7.800 8.064 -0.264 17762 5396 1 10 . 1 1 27 27 ASN N N 27 120.386 120.386 117.827 2.559 17762 5397 1 10 . 1 1 27 27 ASN HA H 27 4.376 4.376 4.427 -0.051 17762 5398 1 10 . 1 1 27 27 ASN CA C 27 53.736 53.736 56.451 -2.715 17762 5399 1 10 . 1 1 27 27 ASN CB C 27 34.416 34.416 38.433 -4.017 17762 5400 1 10 . 1 1 27 27 ASN H H 27 7.774 7.774 7.916 -0.142 17762 5401 1 10 . 1 1 28 28 LEU N N 28 120.114 120.114 123.414 -3.300 17762 5402 1 10 . 1 1 28 28 LEU HA H 28 4.085 4.085 4.002 0.083 17762 5403 1 10 . 1 1 28 28 LEU CA C 28 55.199 55.199 58.370 -3.171 17762 5404 1 10 . 1 1 28 28 LEU CB C 28 39.978 39.978 41.858 -1.880 17762 5405 1 10 . 1 1 28 28 LEU H H 28 7.434 7.434 8.836 -1.402 17762 5406 1 10 . 1 1 29 29 MET N N 29 118.101 118.101 118.523 -0.422 17762 5407 1 10 . 1 1 29 29 MET HA H 29 4.189 4.189 4.065 0.124 17762 5408 1 10 . 1 1 29 29 MET CA C 29 53.443 53.443 58.168 -4.725 17762 5409 1 10 . 1 1 29 29 MET CB C 29 28.269 28.269 32.098 -3.829 17762 5410 1 10 . 1 1 29 29 MET H H 29 8.474 8.474 8.501 -0.027 17762 5411 1 10 . 1 1 30 30 MET N N 30 116.980 116.980 118.975 -1.995 17762 5412 1 10 . 1 1 30 30 MET HA H 30 4.308 4.308 4.101 0.207 17762 5413 1 10 . 1 1 30 30 MET CA C 30 54.614 54.614 58.563 -3.949 17762 5414 1 10 . 1 1 30 30 MET CB C 30 27.098 27.098 30.603 -3.505 17762 5415 1 10 . 1 1 30 30 MET H H 30 8.672 8.672 8.429 0.243 17762 5416 1 10 . 1 1 31 31 CYS N N 31 116.217 116.217 119.767 -3.550 17762 5417 1 10 . 1 1 31 31 CYS HA H 31 4.713 4.713 4.148 0.565 17762 5418 1 10 . 1 1 31 31 CYS CA C 31 55.786 55.786 61.719 -5.933 17762 5419 1 10 . 1 1 31 31 CYS CB C 31 39.392 39.392 27.701 11.691 17762 5420 1 10 . 1 1 31 31 CYS H H 31 6.592 6.592 7.977 -1.385 17762 5421 1 10 . 1 1 32 32 CYS N N 32 124.056 124.056 118.021 6.035 17762 5422 1 10 . 1 1 32 32 CYS HA H 32 4.410 4.410 4.077 0.333 17762 5423 1 10 . 1 1 32 32 CYS CA C 32 56.078 56.078 62.166 -6.088 17762 5424 1 10 . 1 1 32 32 CYS CB C 32 37.343 37.343 27.918 9.425 17762 5425 1 10 . 1 1 32 32 CYS H H 32 9.448 9.448 8.424 1.024 17762 5426 1 10 . 1 1 33 33 ARG N N 33 116.829 116.829 119.551 -2.722 17762 5427 1 10 . 1 1 33 33 ARG HA H 33 4.467 4.467 4.232 0.235 17762 5428 1 10 . 1 1 33 33 ARG CA C 33 50.809 50.809 56.897 -6.088 17762 5429 1 10 . 1 1 33 33 ARG CB C 33 26.220 26.220 30.723 -4.503 17762 5430 1 10 . 1 1 33 33 ARG H H 33 8.099 8.099 8.213 -0.114 17762 5431 1 10 . 1 1 34 34 LYS N N 34 111.068 111.068 116.986 -5.918 17762 5432 1 10 . 1 1 34 34 LYS HA H 34 4.360 4.360 4.117 0.243 17762 5433 1 10 . 1 1 34 34 LYS CA C 34 54.321 54.321 56.989 -2.668 17762 5434 1 10 . 1 1 34 34 LYS CB C 34 25.634 25.634 30.219 -4.585 17762 5435 1 10 . 1 1 34 34 LYS H H 34 7.690 7.690 8.039 -0.349 17762 5436 1 10 . 1 1 35 35 MET N N 35 116.639 116.639 121.112 -4.473 17762 5437 1 10 . 1 1 35 35 MET HA H 35 4.749 4.749 4.488 0.261 17762 5438 1 10 . 1 1 35 35 MET CA C 35 53.443 53.443 54.696 -1.252 17762 5439 1 10 . 1 1 35 35 MET CB C 35 30.903 30.903 30.567 0.337 17762 5440 1 10 . 1 1 35 35 MET H H 35 8.195 8.195 8.197 -0.002 17762 5441 1 10 . 1 1 36 36 THR N N 36 107.641 107.641 111.339 -3.698 17762 5442 1 10 . 1 1 36 36 THR HA H 36 5.292 5.292 4.962 0.330 17762 5443 1 10 . 1 1 36 36 THR CA C 36 58.127 58.127 61.374 -3.247 17762 5444 1 10 . 1 1 36 36 THR CB C 36 66.030 66.030 69.323 -3.293 17762 5445 1 10 . 1 1 36 36 THR H H 36 7.562 7.562 8.360 -0.798 17762 5446 1 10 . 1 1 37 37 GLN N N 37 121.079 121.079 123.659 -2.580 17762 5447 1 10 . 1 1 37 37 GLN HA H 37 4.554 4.554 4.540 0.014 17762 5448 1 10 . 1 1 37 37 GLN CA C 37 52.858 52.858 56.221 -3.363 17762 5449 1 10 . 1 1 37 37 GLN CB C 37 26.220 26.220 29.301 -3.081 17762 5450 1 10 . 1 1 37 37 GLN H H 37 7.334 7.334 7.862 -0.528 17762 5451 1 10 . 1 1 38 38 GLY N N 38 118.390 118.390 107.865 10.525 17762 5452 1 10 . 1 1 38 38 GLY CA C 38 43.783 43.783 45.997 -2.214 17762 5453 1 10 . 1 1 38 38 GLY H H 38 8.345 8.345 8.684 -0.339 17762 5454 1 10 . 1 1 39 39 LYS N N 39 116.961 116.961 114.883 2.078 17762 5455 1 10 . 1 1 39 39 LYS HA H 39 3.555 3.555 3.516 0.039 17762 5456 1 10 . 1 1 39 39 LYS CA C 39 52.272 52.272 54.029 -1.757 17762 5457 1 10 . 1 1 39 39 LYS CB C 39 31.196 31.196 34.130 -2.934 17762 5458 1 10 . 1 1 39 39 LYS H H 39 7.222 7.222 7.163 0.059 17762 5459 1 10 . 1 1 40 40 CYS N N 40 119.480 119.480 116.208 3.272 17762 5460 1 10 . 1 1 40 40 CYS HA H 40 4.787 4.787 5.390 -0.603 17762 5461 1 10 . 1 1 40 40 CYS CA C 40 50.809 50.809 55.508 -4.699 17762 5462 1 10 . 1 1 40 40 CYS CB C 40 34.101 34.101 29.763 4.338 17762 5463 1 10 . 1 1 40 40 CYS H H 40 8.891 8.891 8.755 0.136 17762 5464 1 10 . 1 1 41 41 LYS N N 41 130.320 130.320 122.133 8.187 17762 5465 1 10 . 1 1 41 41 LYS HA H 41 4.550 4.550 4.782 -0.232 17762 5466 1 10 . 1 1 41 41 LYS CA C 41 53.443 53.443 53.830 -0.387 17762 5467 1 10 . 1 1 41 41 LYS CB C 41 31.489 31.489 33.929 -2.440 17762 5468 1 10 . 1 1 41 41 LYS H H 41 7.902 7.902 8.550 -0.648 17762 5469 1 10 . 1 1 42 42 PRO HA H 42 4.600 4.600 4.449 0.151 17762 5470 1 10 . 1 1 42 42 PRO CA C 42 63.981 63.981 63.893 0.088 17762 5471 1 10 . 1 1 42 42 PRO CB C 42 29.732 29.732 32.521 -2.789 17762 5472 1 10 . 1 1 43 43 VAL N N 43 111.738 111.738 111.526 0.212 17762 5473 1 10 . 1 1 43 43 VAL HA H 43 5.302 5.302 4.968 0.334 17762 5474 1 10 . 1 1 43 43 VAL CA C 43 56.663 56.663 59.224 -2.561 17762 5475 1 10 . 1 1 43 43 VAL CB C 43 32.952 32.952 35.451 -2.499 17762 5476 1 10 . 1 1 43 43 VAL H H 43 6.967 6.967 7.306 -0.339 17762 5477 1 10 . 1 1 44 44 ASN N N 44 120.558 120.558 124.327 -3.769 17762 5478 1 10 . 1 1 44 44 ASN HA H 44 4.770 4.770 5.069 -0.299 17762 5479 1 10 . 1 1 44 44 ASN CA C 44 51.687 51.687 52.896 -1.209 17762 5480 1 10 . 1 1 44 44 ASN CB C 44 41.734 41.734 41.523 0.211 17762 5481 1 10 . 1 1 44 44 ASN H H 44 8.741 8.741 9.429 -0.688 17762 5482 1 10 . 1 1 45 45 THR N N 45 120.658 120.658 122.245 -1.587 17762 5483 1 10 . 1 1 45 45 THR HA H 45 5.142 5.142 4.276 0.866 17762 5484 1 10 . 1 1 45 45 THR CA C 45 59.005 59.005 62.982 -3.977 17762 5485 1 10 . 1 1 45 45 THR CB C 45 68.079 68.079 68.152 -0.073 17762 5486 1 10 . 1 1 45 45 THR H H 45 6.938 6.938 8.309 -1.371 17762 5487 1 10 . 1 1 46 46 PHE N N 46 125.168 125.168 127.187 -2.019 17762 5488 1 10 . 1 1 46 46 PHE HA H 46 4.916 4.916 4.682 0.234 17762 5489 1 10 . 1 1 46 46 PHE CA C 46 54.321 54.321 55.236 -0.915 17762 5490 1 10 . 1 1 46 46 PHE CB C 46 26.692 26.692 39.646 -12.954 17762 5491 1 10 . 1 1 46 46 PHE H H 46 9.318 9.318 8.854 0.464 17762 5492 1 10 . 1 1 47 47 VAL N N 47 121.430 121.430 120.522 0.908 17762 5493 1 10 . 1 1 47 47 VAL HA H 47 4.212 4.212 4.376 -0.164 17762 5494 1 10 . 1 1 47 47 VAL CA C 47 59.280 59.280 61.411 -2.131 17762 5495 1 10 . 1 1 47 47 VAL CB C 47 30.025 30.025 34.194 -4.169 17762 5496 1 10 . 1 1 47 47 VAL H H 47 9.333 9.333 8.817 0.516 17762 5497 1 10 . 1 1 48 48 HIS N N 48 125.243 125.243 124.804 0.439 17762 5498 1 10 . 1 1 48 48 HIS HA H 48 5.314 5.314 4.990 0.324 17762 5499 1 10 . 1 1 48 48 HIS CA C 48 51.979 51.979 54.986 -3.007 17762 5500 1 10 . 1 1 48 48 HIS CB C 48 25.634 25.634 31.531 -5.897 17762 5501 1 10 . 1 1 48 48 HIS H H 48 8.772 8.772 9.286 -0.514 17762 5502 1 10 . 1 1 49 49 GLU N N 49 117.070 117.070 122.515 -5.445 17762 5503 1 10 . 1 1 49 49 GLU HA H 49 4.763 4.763 4.517 0.246 17762 5504 1 10 . 1 1 49 49 GLU CA C 49 51.101 51.101 55.485 -4.384 17762 5505 1 10 . 1 1 49 49 GLU CB C 49 28.269 28.269 33.907 -5.638 17762 5506 1 10 . 1 1 49 49 GLU H H 49 6.558 6.558 8.752 -2.194 17762 5507 1 10 . 1 1 50 50 SER N N 50 117.468 117.468 116.098 1.370 17762 5508 1 10 . 1 1 50 50 SER HA H 50 4.240 4.240 4.774 -0.534 17762 5509 1 10 . 1 1 50 50 SER CA C 50 55.199 55.199 56.699 -1.500 17762 5510 1 10 . 1 1 50 50 SER CB C 50 61.932 61.932 63.565 -1.633 17762 5511 1 10 . 1 1 50 50 SER H H 50 9.589 9.589 8.479 1.110 17762 5512 1 10 . 1 1 51 51 LEU N N 51 124.046 124.046 129.885 -5.839 17762 5513 1 10 . 1 1 51 51 LEU HA H 51 4.088 4.088 4.183 -0.095 17762 5514 1 10 . 1 1 51 51 LEU CA C 51 55.785 55.785 57.842 -2.057 17762 5515 1 10 . 1 1 51 51 LEU CB C 51 38.514 38.514 42.153 -3.639 17762 5516 1 10 . 1 1 51 51 LEU H H 51 8.783 8.783 8.940 -0.157 17762 5517 1 10 . 1 1 52 52 ALA N N 52 120.494 120.494 120.115 0.379 17762 5518 1 10 . 1 1 52 52 ALA HA H 52 3.959 3.959 3.905 0.054 17762 5519 1 10 . 1 1 52 52 ALA CA C 52 52.858 52.858 55.373 -2.515 17762 5520 1 10 . 1 1 52 52 ALA CB C 52 15.682 15.682 17.739 -2.057 17762 5521 1 10 . 1 1 52 52 ALA H H 52 8.462 8.462 8.256 0.206 17762 5522 1 10 . 1 1 53 53 ASP N N 53 120.265 120.265 119.344 0.921 17762 5523 1 10 . 1 1 53 53 ASP HA H 53 4.372 4.372 4.348 0.024 17762 5524 1 10 . 1 1 53 53 ASP CA C 53 54.907 54.907 57.371 -2.464 17762 5525 1 10 . 1 1 53 53 ASP CB C 53 37.050 37.050 40.694 -3.644 17762 5526 1 10 . 1 1 53 53 ASP H H 53 7.835 7.835 7.452 0.383 17762 5527 1 10 . 1 1 54 54 VAL N N 54 121.771 121.771 120.194 1.577 17762 5528 1 10 . 1 1 54 54 VAL HA H 54 3.703 3.703 3.623 0.080 17762 5529 1 10 . 1 1 54 54 VAL CA C 54 64.274 64.274 66.913 -2.639 17762 5530 1 10 . 1 1 54 54 VAL CB C 54 29.147 29.147 31.438 -2.291 17762 5531 1 10 . 1 1 54 54 VAL H H 54 7.879 7.879 8.373 -0.494 17762 5532 1 10 . 1 1 55 55 LYS N N 55 119.973 119.973 119.401 0.572 17762 5533 1 10 . 1 1 55 55 LYS HA H 55 3.641 3.641 3.963 -0.322 17762 5534 1 10 . 1 1 55 55 LYS CA C 55 57.839 57.839 59.337 -1.498 17762 5535 1 10 . 1 1 55 55 LYS CB C 55 29.732 29.732 31.930 -2.198 17762 5536 1 10 . 1 1 55 55 LYS H H 55 9.000 9.000 8.004 0.996 17762 5537 1 10 . 1 1 56 56 ALA N N 56 120.213 120.213 121.808 -1.595 17762 5538 1 10 . 1 1 56 56 ALA HA H 56 4.015 4.015 3.971 0.044 17762 5539 1 10 . 1 1 56 56 ALA CA C 56 51.394 51.394 54.985 -3.591 17762 5540 1 10 . 1 1 56 56 ALA CB C 56 14.803 14.803 18.245 -3.442 17762 5541 1 10 . 1 1 56 56 ALA H H 56 7.534 7.534 7.905 -0.371 17762 5542 1 10 . 1 1 57 57 VAL N N 57 121.006 121.006 118.998 2.008 17762 5543 1 10 . 1 1 57 57 VAL HA H 57 3.203 3.203 3.617 -0.414 17762 5544 1 10 . 1 1 57 57 VAL CA C 57 63.396 63.396 66.976 -3.580 17762 5545 1 10 . 1 1 57 57 VAL CB C 57 28.561 28.561 30.930 -2.369 17762 5546 1 10 . 1 1 57 57 VAL H H 57 7.575 7.575 8.522 -0.947 17762 5547 1 10 . 1 1 58 58 CYS N N 58 113.037 113.037 115.546 -2.509 17762 5548 1 10 . 1 1 58 58 CYS HA H 58 3.520 3.520 4.009 -0.489 17762 5549 1 10 . 1 1 58 58 CYS CA C 58 51.979 51.979 60.448 -8.469 17762 5550 1 10 . 1 1 58 58 CYS CB C 58 36.465 36.465 26.084 10.380 17762 5551 1 10 . 1 1 58 58 CYS H H 58 6.809 6.809 7.662 -0.853 17762 5552 1 10 . 1 1 59 59 SER N N 59 113.164 113.164 115.034 -1.870 17762 5553 1 10 . 1 1 59 59 SER HA H 59 4.569 4.569 4.262 0.307 17762 5554 1 10 . 1 1 59 59 SER CA C 59 55.785 55.785 58.715 -2.930 17762 5555 1 10 . 1 1 59 59 SER CB C 59 61.054 61.054 62.570 -1.516 17762 5556 1 10 . 1 1 59 59 SER H H 59 7.480 7.480 7.899 -0.419 17762 5557 1 10 . 1 1 60 60 GLN N N 60 124.351 124.351 121.007 3.344 17762 5558 1 10 . 1 1 60 60 GLN HA H 60 4.599 4.599 4.626 -0.027 17762 5559 1 10 . 1 1 60 60 GLN CA C 60 52.565 52.565 56.428 -3.862 17762 5560 1 10 . 1 1 60 60 GLN CB C 60 22.414 22.414 31.175 -8.761 17762 5561 1 10 . 1 1 60 60 GLN H H 60 7.702 7.702 7.865 -0.163 17762 5562 1 10 . 1 1 61 61 LYS N N 61 122.353 122.353 121.703 0.650 17762 5563 1 10 . 1 1 61 61 LYS HA H 61 4.261 4.261 4.495 -0.234 17762 5564 1 10 . 1 1 61 61 LYS CA C 61 54.614 54.614 54.946 -0.332 17762 5565 1 10 . 1 1 61 61 LYS CB C 61 31.489 31.489 33.099 -1.610 17762 5566 1 10 . 1 1 61 61 LYS H H 61 7.540 7.540 8.240 -0.700 17762 5567 1 10 . 1 1 62 62 LYS N N 62 129.878 129.878 127.140 2.738 17762 5568 1 10 . 1 1 62 62 LYS HA H 62 4.050 4.050 2.940 1.110 17762 5569 1 10 . 1 1 62 62 LYS CA C 62 54.907 54.907 56.629 -1.722 17762 5570 1 10 . 1 1 62 62 LYS CB C 62 30.318 30.318 31.743 -1.425 17762 5571 1 10 . 1 1 62 62 LYS H H 62 8.408 8.408 8.314 0.094 17762 5572 1 10 . 1 1 63 63 VAL N N 63 121.631 121.631 124.472 -2.841 17762 5573 1 10 . 1 1 63 63 VAL HA H 63 4.516 4.516 4.510 0.006 17762 5574 1 10 . 1 1 63 63 VAL CA C 63 56.663 56.663 59.457 -2.794 17762 5575 1 10 . 1 1 63 63 VAL CB C 63 33.538 33.538 34.367 -0.829 17762 5576 1 10 . 1 1 63 63 VAL H H 63 8.317 8.317 8.627 -0.310 17762 5577 1 10 . 1 1 64 64 THR N N 64 116.885 116.885 116.044 0.841 17762 5578 1 10 . 1 1 64 64 THR HA H 64 4.296 4.296 4.616 -0.320 17762 5579 1 10 . 1 1 64 64 THR CA C 64 60.468 60.468 61.531 -1.063 17762 5580 1 10 . 1 1 64 64 THR CB C 64 67.201 67.201 70.092 -2.891 17762 5581 1 10 . 1 1 64 64 THR H H 64 7.965 7.965 8.085 -0.120 17762 5582 1 10 . 1 1 65 65 CYS N N 65 124.789 124.789 123.173 1.616 17762 5583 1 10 . 1 1 65 65 CYS HA H 65 4.407 4.407 4.545 -0.138 17762 5584 1 10 . 1 1 65 65 CYS CA C 65 51.101 51.101 57.047 -5.946 17762 5585 1 10 . 1 1 65 65 CYS CB C 65 36.465 36.465 28.586 7.879 17762 5586 1 10 . 1 1 65 65 CYS H H 65 8.790 8.790 8.435 0.355 17762 5587 1 10 . 1 1 66 66 LYS N N 66 128.070 128.070 122.592 5.478 17762 5588 1 10 . 1 1 66 66 LYS HA H 66 3.993 3.993 4.148 -0.155 17762 5589 1 10 . 1 1 66 66 LYS CA C 66 56.663 56.663 57.547 -0.884 17762 5590 1 10 . 1 1 66 66 LYS CB C 66 28.854 28.854 30.230 -1.376 17762 5591 1 10 . 1 1 66 66 LYS H H 66 10.959 10.959 8.713 2.246 17762 5592 1 10 . 1 1 67 67 ASP N N 67 117.000 117.000 117.777 -0.777 17762 5593 1 10 . 1 1 67 67 ASP HA H 67 4.459 4.459 4.568 -0.109 17762 5594 1 10 . 1 1 67 67 ASP CA C 67 50.809 50.809 54.758 -3.949 17762 5595 1 10 . 1 1 67 67 ASP CB C 67 37.636 37.636 40.995 -3.359 17762 5596 1 10 . 1 1 67 67 ASP H H 67 8.021 8.021 8.280 -0.259 17762 5597 1 10 . 1 1 68 68 GLY N N 68 108.831 108.831 108.012 0.819 17762 5598 1 10 . 1 1 68 68 GLY CA C 68 42.612 42.612 45.076 -2.464 17762 5599 1 10 . 1 1 68 68 GLY H H 68 8.029 8.029 8.158 -0.129 17762 5600 1 10 . 1 1 69 69 GLN N N 69 120.061 120.061 118.545 1.516 17762 5601 1 10 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.168 0.189 17762 5602 1 10 . 1 1 69 69 GLN CA C 69 54.264 54.264 57.469 -3.205 17762 5603 1 10 . 1 1 69 69 GLN CB C 69 27.683 27.683 29.577 -1.894 17762 5604 1 10 . 1 1 69 69 GLN H H 69 8.115 8.115 9.238 -1.123 17762 5605 1 10 . 1 1 70 70 THR N N 70 112.531 112.531 110.509 2.022 17762 5606 1 10 . 1 1 70 70 THR HA H 70 4.475 4.475 4.462 0.013 17762 5607 1 10 . 1 1 70 70 THR CA C 70 58.712 58.712 60.839 -2.127 17762 5608 1 10 . 1 1 70 70 THR CB C 70 67.201 67.201 69.806 -2.605 17762 5609 1 10 . 1 1 70 70 THR H H 70 8.553 8.553 7.394 1.159 17762 5610 1 10 . 1 1 71 71 ASN N N 71 119.619 119.619 122.887 -3.268 17762 5611 1 10 . 1 1 71 71 ASN HA H 71 4.847 4.847 4.876 -0.029 17762 5612 1 10 . 1 1 71 71 ASN CA C 71 50.516 50.516 53.268 -2.752 17762 5613 1 10 . 1 1 71 71 ASN CB C 71 35.587 35.587 37.530 -1.943 17762 5614 1 10 . 1 1 71 71 ASN H H 71 8.219 8.219 8.742 -0.523 17762 5615 1 10 . 1 1 72 72 CYS N N 72 118.100 118.100 119.308 -1.208 17762 5616 1 10 . 1 1 72 72 CYS HA H 72 5.424 5.424 4.809 0.615 17762 5617 1 10 . 1 1 72 72 CYS CA C 72 56.956 56.956 56.975 -0.019 17762 5618 1 10 . 1 1 72 72 CYS CB C 72 43.198 43.198 25.382 17.816 17762 5619 1 10 . 1 1 72 72 CYS H H 72 7.477 7.477 8.312 -0.835 17762 5620 1 10 . 1 1 73 73 TYR N N 73 119.843 119.843 124.446 -4.603 17762 5621 1 10 . 1 1 73 73 TYR HA H 73 5.121 5.121 5.033 0.088 17762 5622 1 10 . 1 1 73 73 TYR CA C 73 55.199 55.199 57.189 -1.990 17762 5623 1 10 . 1 1 73 73 TYR CB C 73 41.441 41.441 41.414 0.027 17762 5624 1 10 . 1 1 73 73 TYR H H 73 8.983 8.983 9.371 -0.388 17762 5625 1 10 . 1 1 74 74 GLN N N 74 123.174 123.174 124.632 -1.458 17762 5626 1 10 . 1 1 74 74 GLN HA H 74 5.408 5.408 4.768 0.640 17762 5627 1 10 . 1 1 74 74 GLN CA C 74 49.930 49.930 54.822 -4.892 17762 5628 1 10 . 1 1 74 74 GLN H H 74 9.477 9.477 9.098 0.379 17762 5629 1 10 . 1 1 75 75 SER N N 75 122.742 122.742 122.909 -0.167 17762 5630 1 10 . 1 1 75 75 SER HA H 75 4.679 4.679 4.508 0.171 17762 5631 1 10 . 1 1 75 75 SER CA C 75 55.764 55.764 58.941 -3.177 17762 5632 1 10 . 1 1 75 75 SER CB C 75 62.424 62.424 64.204 -1.780 17762 5633 1 10 . 1 1 75 75 SER H H 75 9.286 9.286 8.799 0.487 17762 5634 1 10 . 1 1 76 76 LYS N N 76 127.293 127.293 120.220 7.073 17762 5635 1 10 . 1 1 76 76 LYS HA H 76 4.202 4.202 4.064 0.139 17762 5636 1 10 . 1 1 76 76 LYS CA C 76 56.370 56.370 58.428 -2.058 17762 5637 1 10 . 1 1 76 76 LYS CB C 76 30.318 30.318 32.709 -2.392 17762 5638 1 10 . 1 1 76 76 LYS H H 76 8.938 8.938 8.868 0.070 17762 5639 1 10 . 1 1 77 77 SER N N 77 114.297 114.297 110.100 4.197 17762 5640 1 10 . 1 1 77 77 SER HA H 77 4.888 4.888 4.739 0.149 17762 5641 1 10 . 1 1 77 77 SER CA C 77 53.736 53.736 56.787 -3.051 17762 5642 1 10 . 1 1 77 77 SER CB C 77 62.810 62.810 66.276 -3.466 17762 5643 1 10 . 1 1 77 77 SER H H 77 8.592 8.592 7.665 0.927 17762 5644 1 10 . 1 1 78 78 THR N N 78 113.859 113.859 113.878 -0.019 17762 5645 1 10 . 1 1 78 78 THR HA H 78 3.254 3.254 4.243 -0.989 17762 5646 1 10 . 1 1 78 78 THR CA C 78 59.883 59.883 63.104 -3.221 17762 5647 1 10 . 1 1 78 78 THR CB C 78 66.908 66.908 68.957 -2.049 17762 5648 1 10 . 1 1 78 78 THR H H 78 8.134 8.134 8.288 -0.154 17762 5649 1 10 . 1 1 79 79 MET N N 79 121.299 121.299 122.334 -1.035 17762 5650 1 10 . 1 1 79 79 MET HA H 79 4.643 4.643 4.710 -0.067 17762 5651 1 10 . 1 1 79 79 MET CA C 79 52.858 52.858 54.889 -2.031 17762 5652 1 10 . 1 1 79 79 MET CB C 79 34.416 34.416 37.584 -3.168 17762 5653 1 10 . 1 1 79 79 MET H H 79 8.508 8.508 9.050 -0.542 17762 5654 1 10 . 1 1 80 80 ARG N N 80 122.767 122.767 120.149 2.618 17762 5655 1 10 . 1 1 80 80 ARG HA H 80 4.376 4.376 4.898 -0.522 17762 5656 1 10 . 1 1 80 80 ARG CA C 80 54.907 54.907 55.213 -0.306 17762 5657 1 10 . 1 1 80 80 ARG CB C 80 27.391 27.391 30.852 -3.461 17762 5658 1 10 . 1 1 80 80 ARG H H 80 9.508 9.508 8.208 1.300 17762 5659 1 10 . 1 1 81 81 ILE N N 81 120.594 120.594 123.822 -3.228 17762 5660 1 10 . 1 1 81 81 ILE HA H 81 5.284 5.284 4.953 0.331 17762 5661 1 10 . 1 1 81 81 ILE CA C 81 56.663 56.663 60.090 -3.426 17762 5662 1 10 . 1 1 81 81 ILE CB C 81 39.978 39.978 42.212 -2.234 17762 5663 1 10 . 1 1 81 81 ILE H H 81 8.645 8.645 9.242 -0.597 17762 5664 1 10 . 1 1 82 82 THR N N 82 119.200 119.200 116.656 2.544 17762 5665 1 10 . 1 1 82 82 THR HA H 82 5.020 5.020 4.765 0.255 17762 5666 1 10 . 1 1 82 82 THR CA C 82 60.176 60.176 60.663 -0.487 17762 5667 1 10 . 1 1 82 82 THR CB C 82 68.372 68.372 68.870 -0.498 17762 5668 1 10 . 1 1 82 82 THR H H 82 9.256 9.256 9.158 0.098 17762 5669 1 10 . 1 1 83 83 ASP N N 83 127.841 127.841 126.352 1.489 17762 5670 1 10 . 1 1 83 83 ASP HA H 83 5.029 5.029 4.607 0.422 17762 5671 1 10 . 1 1 83 83 ASP CA C 83 51.101 51.101 54.440 -3.339 17762 5672 1 10 . 1 1 83 83 ASP CB C 83 40.563 40.563 41.244 -0.681 17762 5673 1 10 . 1 1 83 83 ASP H H 83 9.241 9.241 8.775 0.466 17762 5674 1 10 . 1 1 84 84 CYS N N 84 122.123 122.123 127.402 -5.279 17762 5675 1 10 . 1 1 84 84 CYS HA H 84 5.940 5.940 4.796 1.144 17762 5676 1 10 . 1 1 84 84 CYS CA C 84 49.345 49.345 57.639 -8.294 17762 5677 1 10 . 1 1 84 84 CYS CB C 84 36.465 36.465 26.715 9.750 17762 5678 1 10 . 1 1 84 84 CYS H H 84 8.808 8.808 8.499 0.309 17762 5679 1 10 . 1 1 85 85 ARG N N 85 122.200 122.200 128.468 -6.268 17762 5680 1 10 . 1 1 85 85 ARG HA H 85 5.412 5.412 5.316 0.096 17762 5681 1 10 . 1 1 85 85 ARG CA C 85 52.272 52.272 54.343 -2.071 17762 5682 1 10 . 1 1 85 85 ARG CB C 85 30.903 30.903 35.373 -4.470 17762 5683 1 10 . 1 1 85 85 ARG H H 85 8.204 8.204 9.233 -1.029 17762 5684 1 10 . 1 1 86 86 GLU N N 86 128.674 128.674 126.700 1.974 17762 5685 1 10 . 1 1 86 86 GLU HA H 86 4.288 4.288 4.822 -0.534 17762 5686 1 10 . 1 1 86 86 GLU CA C 86 55.199 55.199 55.920 -0.721 17762 5687 1 10 . 1 1 86 86 GLU CB C 86 29.732 29.732 30.211 -0.479 17762 5688 1 10 . 1 1 86 86 GLU H H 86 8.762 8.762 8.475 0.287 17762 5689 1 10 . 1 1 87 87 THR N N 87 115.660 115.660 116.992 -1.332 17762 5690 1 10 . 1 1 87 87 THR HA H 87 4.507 4.507 4.520 -0.013 17762 5691 1 10 . 1 1 87 87 THR CA C 87 58.127 58.127 60.506 -2.379 17762 5692 1 10 . 1 1 87 87 THR CB C 87 68.665 68.665 70.510 -1.845 17762 5693 1 10 . 1 1 87 87 THR H H 87 8.118 8.118 9.036 -0.918 17762 5694 1 10 . 1 1 88 88 GLY N N 88 107.768 107.768 109.088 -1.320 17762 5695 1 10 . 1 1 88 88 GLY CA C 88 43.490 43.490 46.264 -2.774 17762 5696 1 10 . 1 1 88 88 GLY H H 88 8.774 8.774 8.307 0.467 17762 5697 1 10 . 1 1 89 89 SER N N 89 112.931 112.931 112.304 0.627 17762 5698 1 10 . 1 1 89 89 SER HA H 89 4.503 4.503 4.108 0.395 17762 5699 1 10 . 1 1 89 89 SER CA C 89 55.199 55.199 58.336 -3.137 17762 5700 1 10 . 1 1 89 89 SER CB C 89 61.054 61.054 62.447 -1.393 17762 5701 1 10 . 1 1 89 89 SER H H 89 7.597 7.597 8.324 -0.727 17762 5702 1 10 . 1 1 90 90 SER N N 90 118.245 118.245 115.624 2.621 17762 5703 1 10 . 1 1 90 90 SER HA H 90 3.943 3.943 4.123 -0.180 17762 5704 1 10 . 1 1 90 90 SER CA C 90 56.370 56.370 59.386 -3.017 17762 5705 1 10 . 1 1 90 90 SER CB C 90 60.468 60.468 63.483 -3.015 17762 5706 1 10 . 1 1 90 90 SER H H 90 6.989 6.989 8.025 -1.036 17762 5707 1 10 . 1 1 91 91 LYS N N 91 129.777 129.777 126.879 2.898 17762 5708 1 10 . 1 1 91 91 LYS HA H 91 4.431 4.431 4.604 -0.173 17762 5709 1 10 . 1 1 91 91 LYS CA C 91 53.443 53.443 54.304 -0.861 17762 5710 1 10 . 1 1 91 91 LYS CB C 91 31.489 31.489 32.938 -1.449 17762 5711 1 10 . 1 1 91 91 LYS H H 91 7.527 7.527 8.754 -1.227 17762 5712 1 10 . 1 1 92 92 TYR N N 92 131.912 131.912 125.374 6.538 17762 5713 1 10 . 1 1 92 92 TYR HA H 92 3.718 3.718 4.326 -0.608 17762 5714 1 10 . 1 1 92 92 TYR CA C 92 56.078 56.078 58.165 -2.087 17762 5715 1 10 . 1 1 92 92 TYR CB C 92 35.880 35.880 38.419 -2.539 17762 5716 1 10 . 1 1 92 92 TYR H H 92 9.290 9.290 8.623 0.667 17762 5717 1 10 . 1 1 93 93 PRO HA H 93 3.028 3.028 3.458 -0.430 17762 5718 1 10 . 1 1 93 93 PRO CA C 93 61.347 61.347 63.228 -1.881 17762 5719 1 10 . 1 1 93 93 PRO CB C 93 31.196 31.196 32.288 -1.092 17762 5720 1 10 . 1 1 94 94 ASN N N 94 130.934 130.934 119.780 11.154 17762 5721 1 10 . 1 1 94 94 ASN HA H 94 4.943 4.943 4.693 0.250 17762 5722 1 10 . 1 1 94 94 ASN CA C 94 49.630 49.630 53.084 -3.454 17762 5723 1 10 . 1 1 94 94 ASN CB C 94 35.001 35.001 37.769 -2.768 17762 5724 1 10 . 1 1 94 94 ASN H H 94 8.823 8.823 8.225 0.598 17762 5725 1 10 . 1 1 95 95 CYS N N 95 122.402 122.402 119.264 3.138 17762 5726 1 10 . 1 1 95 95 CYS HA H 95 4.840 4.840 4.369 0.471 17762 5727 1 10 . 1 1 95 95 CYS CA C 95 50.516 50.516 60.472 -9.956 17762 5728 1 10 . 1 1 95 95 CYS CB C 95 35.880 35.880 28.011 7.869 17762 5729 1 10 . 1 1 95 95 CYS H H 95 7.687 7.687 8.045 -0.358 17762 5730 1 10 . 1 1 96 96 ALA N N 96 129.346 129.346 126.766 2.580 17762 5731 1 10 . 1 1 96 96 ALA HA H 96 4.746 4.746 4.578 0.168 17762 5732 1 10 . 1 1 96 96 ALA CA C 96 49.052 49.052 51.490 -2.438 17762 5733 1 10 . 1 1 96 96 ALA CB C 96 19.194 19.194 20.672 -1.478 17762 5734 1 10 . 1 1 96 96 ALA H H 96 8.634 8.634 7.927 0.707 17762 5735 1 10 . 1 1 97 97 TYR N N 97 118.353 118.353 124.971 -6.618 17762 5736 1 10 . 1 1 97 97 TYR HA H 97 4.904 4.904 5.329 -0.425 17762 5737 1 10 . 1 1 97 97 TYR CA C 97 55.785 55.785 57.260 -1.475 17762 5738 1 10 . 1 1 97 97 TYR CB C 97 41.441 41.441 41.685 -0.244 17762 5739 1 10 . 1 1 97 97 TYR H H 97 9.368 9.368 8.327 1.041 17762 5740 1 10 . 1 1 98 98 LYS N N 98 125.559 125.559 122.291 3.268 17762 5741 1 10 . 1 1 98 98 LYS HA H 98 4.743 4.743 4.732 0.011 17762 5742 1 10 . 1 1 98 98 LYS CA C 98 52.565 52.565 54.074 -1.509 17762 5743 1 10 . 1 1 98 98 LYS CB C 98 31.489 31.489 36.199 -4.710 17762 5744 1 10 . 1 1 98 98 LYS H H 98 9.427 9.427 9.027 0.400 17762 5745 1 10 . 1 1 99 99 THR N N 99 126.667 126.667 120.719 5.948 17762 5746 1 10 . 1 1 99 99 THR HA H 99 5.243 5.243 4.668 0.575 17762 5747 1 10 . 1 1 99 99 THR CA C 99 60.176 60.176 62.176 -2.000 17762 5748 1 10 . 1 1 99 99 THR CB C 99 68.665 68.665 69.883 -1.218 17762 5749 1 10 . 1 1 99 99 THR H H 99 9.055 9.055 8.557 0.498 17762 5750 1 10 . 1 1 100 100 THR N N 100 124.517 124.517 124.623 -0.106 17762 5751 1 10 . 1 1 100 100 THR HA H 100 4.637 4.637 4.571 0.066 17762 5752 1 10 . 1 1 100 100 THR CA C 100 59.883 59.883 62.130 -2.247 17762 5753 1 10 . 1 1 100 100 THR CB C 100 68.372 68.372 68.874 -0.502 17762 5754 1 10 . 1 1 100 100 THR H H 100 8.855 8.855 8.839 0.016 17762 5755 1 10 . 1 1 101 101 GLN N N 101 128.586 128.586 129.028 -0.442 17762 5756 1 10 . 1 1 101 101 GLN HA H 101 5.180 5.180 4.624 0.556 17762 5757 1 10 . 1 1 101 101 GLN CA C 101 53.150 53.150 56.386 -3.236 17762 5758 1 10 . 1 1 101 101 GLN CB C 101 27.098 27.098 29.364 -2.266 17762 5759 1 10 . 1 1 101 101 GLN H H 101 8.823 8.823 8.816 0.007 17762 5760 1 10 . 1 1 102 102 VAL N N 102 121.495 121.495 120.763 0.732 17762 5761 1 10 . 1 1 102 102 VAL HA H 102 4.639 4.639 4.708 -0.069 17762 5762 1 10 . 1 1 102 102 VAL CA C 102 57.834 57.834 59.450 -1.616 17762 5763 1 10 . 1 1 102 102 VAL CB C 102 34.123 34.123 36.352 -2.229 17762 5764 1 10 . 1 1 102 102 VAL H H 102 8.643 8.643 8.875 -0.232 17762 5765 1 10 . 1 1 103 103 GLU N N 103 122.031 122.031 119.454 2.577 17762 5766 1 10 . 1 1 103 103 GLU HA H 103 5.400 5.400 5.468 -0.068 17762 5767 1 10 . 1 1 103 103 GLU CA C 103 52.565 52.565 54.320 -1.755 17762 5768 1 10 . 1 1 103 103 GLU CB C 103 28.269 28.269 30.541 -2.272 17762 5769 1 10 . 1 1 103 103 GLU H H 103 8.068 8.068 8.453 -0.385 17762 5770 1 10 . 1 1 104 104 LYS N N 104 122.283 122.283 122.941 -0.658 17762 5771 1 10 . 1 1 104 104 LYS HA H 104 4.795 4.795 4.592 0.203 17762 5772 1 10 . 1 1 104 104 LYS CA C 104 51.979 51.979 54.832 -2.853 17762 5773 1 10 . 1 1 104 104 LYS CB C 104 37.050 37.050 36.795 0.255 17762 5774 1 10 . 1 1 104 104 LYS H H 104 8.336 8.336 8.356 -0.020 17762 5775 1 10 . 1 1 105 105 HIS N N 105 119.366 119.366 119.729 -0.363 17762 5776 1 10 . 1 1 105 105 HIS HA H 105 4.407 4.407 4.828 -0.421 17762 5777 1 10 . 1 1 105 105 HIS CA C 105 54.321 54.321 57.320 -2.999 17762 5778 1 10 . 1 1 105 105 HIS CB C 105 25.341 25.341 29.318 -3.977 17762 5779 1 10 . 1 1 105 105 HIS H H 105 9.202 9.202 8.651 0.551 17762 5780 1 10 . 1 1 106 106 ILE N N 106 114.175 114.175 119.849 -5.674 17762 5781 1 10 . 1 1 106 106 ILE HA H 106 4.997 4.997 4.350 0.647 17762 5782 1 10 . 1 1 106 106 ILE CA C 106 57.541 57.541 62.229 -4.688 17762 5783 1 10 . 1 1 106 106 ILE CB C 106 38.807 38.807 38.486 0.321 17762 5784 1 10 . 1 1 106 106 ILE H H 106 8.447 8.447 8.774 -0.327 17762 5785 1 10 . 1 1 107 107 ILE N N 107 122.400 122.400 125.858 -3.458 17762 5786 1 10 . 1 1 107 107 ILE HA H 107 5.296 5.296 5.040 0.256 17762 5787 1 10 . 1 1 107 107 ILE CA C 107 57.541 57.541 58.496 -0.955 17762 5788 1 10 . 1 1 107 107 ILE CB C 107 36.758 36.758 37.077 -0.319 17762 5789 1 10 . 1 1 107 107 ILE H H 107 8.314 8.314 8.919 -0.605 17762 5790 1 10 . 1 1 108 108 VAL N N 108 118.187 118.187 124.523 -6.336 17762 5791 1 10 . 1 1 108 108 VAL HA H 108 4.888 4.888 4.666 0.222 17762 5792 1 10 . 1 1 108 108 VAL CA C 108 55.199 55.199 58.923 -3.724 17762 5793 1 10 . 1 1 108 108 VAL CB C 108 32.074 32.074 35.493 -3.419 17762 5794 1 10 . 1 1 108 108 VAL H H 108 8.907 8.907 9.142 -0.235 17762 5795 1 10 . 1 1 109 109 ALA N N 109 122.660 122.660 128.608 -5.948 17762 5796 1 10 . 1 1 109 109 ALA HA H 109 5.296 5.296 4.571 0.725 17762 5797 1 10 . 1 1 109 109 ALA CA C 109 48.174 48.174 50.942 -2.768 17762 5798 1 10 . 1 1 109 109 ALA CB C 109 19.194 19.194 18.424 0.770 17762 5799 1 10 . 1 1 109 109 ALA H H 109 8.706 8.706 8.644 0.062 17762 5800 1 10 . 1 1 110 110 CYS N N 110 120.404 120.404 124.507 -4.103 17762 5801 1 10 . 1 1 110 110 CYS HA H 110 5.680 5.680 5.119 0.561 17762 5802 1 10 . 1 1 110 110 CYS CA C 110 53.443 53.443 57.729 -4.286 17762 5803 1 10 . 1 1 110 110 CYS CB C 110 47.003 47.003 28.361 18.642 17762 5804 1 10 . 1 1 110 110 CYS H H 110 8.797 8.797 8.610 0.187 17762 5805 1 10 . 1 1 111 111 GLY N N 111 111.123 111.123 111.530 -0.407 17762 5806 1 10 . 1 1 111 111 GLY CA C 111 42.905 42.905 45.479 -2.574 17762 5807 1 10 . 1 1 111 111 GLY H H 111 9.107 9.107 8.728 0.379 17762 5808 1 10 . 1 1 112 112 GLY N N 112 107.554 107.554 107.055 0.499 17762 5809 1 10 . 1 1 112 112 GLY CA C 112 40.856 40.856 45.169 -4.313 17762 5810 1 10 . 1 1 112 112 GLY H H 112 8.206 8.206 8.154 0.052 17762 5811 1 10 . 1 1 113 113 LYS N N 113 118.578 118.578 118.940 -0.362 17762 5812 1 10 . 1 1 113 113 LYS HA H 113 4.384 4.384 4.077 0.307 17762 5813 1 10 . 1 1 113 113 LYS CA C 113 51.100 51.100 55.879 -4.779 17762 5814 1 10 . 1 1 113 113 LYS CB C 113 32.367 32.367 31.729 0.638 17762 5815 1 10 . 1 1 113 113 LYS H H 113 7.774 7.774 8.115 -0.341 17762 5816 1 10 . 1 1 114 114 PRO HA H 114 4.615 4.615 4.391 0.224 17762 5817 1 10 . 1 1 114 114 PRO C C 114 3.597 3.597 176.272 -172.675 17762 5818 1 10 . 1 1 114 114 PRO CA C 114 60.448 60.448 61.646 -1.198 17762 5819 1 10 . 1 1 114 114 PRO CB C 114 31.781 31.781 32.559 -0.778 17762 5820 1 10 . 1 1 115 115 SER N N 115 116.201 116.201 115.956 0.245 17762 5821 1 10 . 1 1 115 115 SER HA H 115 3.954 3.954 4.172 -0.218 17762 5822 1 10 . 1 1 115 115 SER CA C 115 56.078 56.078 58.734 -2.656 17762 5823 1 10 . 1 1 115 115 SER CB C 115 60.761 60.761 62.359 -1.598 17762 5824 1 10 . 1 1 115 115 SER H H 115 8.201 8.201 8.338 -0.137 17762 5825 1 10 . 1 1 116 116 VAL N N 116 120.540 120.540 120.547 -0.007 17762 5826 1 10 . 1 1 116 116 VAL HA H 116 4.858 4.858 4.727 0.131 17762 5827 1 10 . 1 1 116 116 VAL CA C 116 56.078 56.078 57.584 -1.506 17762 5828 1 10 . 1 1 116 116 VAL CB C 116 31.196 31.196 33.656 -2.460 17762 5829 1 10 . 1 1 116 116 VAL H H 116 8.511 8.511 8.672 -0.161 17762 5830 1 10 . 1 1 117 117 PRO HA H 117 4.508 4.508 4.721 -0.213 17762 5831 1 10 . 1 1 117 117 PRO CA C 117 60.468 60.468 62.926 -2.458 17762 5832 1 10 . 1 1 117 117 PRO CB C 117 27.391 27.391 32.043 -4.652 17762 5833 1 10 . 1 1 118 118 VAL N N 118 111.972 111.972 114.926 -2.954 17762 5834 1 10 . 1 1 118 118 VAL HA H 118 4.532 4.532 4.297 0.235 17762 5835 1 10 . 1 1 118 118 VAL CA C 118 58.419 58.419 61.710 -3.291 17762 5836 1 10 . 1 1 118 118 VAL CB C 118 31.781 31.781 33.649 -1.868 17762 5837 1 10 . 1 1 118 118 VAL H H 118 8.927 8.927 8.687 0.240 17762 5838 1 10 . 1 1 119 119 HIS N N 119 121.264 121.264 117.525 3.739 17762 5839 1 10 . 1 1 119 119 HIS HA H 119 5.324 5.324 4.201 1.123 17762 5840 1 10 . 1 1 119 119 HIS CA C 119 53.443 53.443 54.674 -1.231 17762 5841 1 10 . 1 1 119 119 HIS CB C 119 30.025 30.025 33.446 -3.421 17762 5842 1 10 . 1 1 119 119 HIS H H 119 7.616 7.616 6.916 0.700 17762 5843 1 10 . 1 1 120 120 PHE HA H 120 4.283 4.283 4.591 -0.308 17762 5844 1 10 . 1 1 120 120 PHE CA C 120 55.785 55.785 56.884 -1.099 17762 5845 1 10 . 1 1 120 120 PHE CB C 120 36.172 36.172 41.203 -5.030 17762 5846 1 10 . 1 1 121 121 ASP N N 121 131.399 131.399 127.270 4.129 17762 5847 1 10 . 1 1 121 121 ASP HA H 121 4.668 4.668 4.553 0.115 17762 5848 1 10 . 1 1 121 121 ASP CA C 121 54.614 54.614 53.783 0.831 17762 5849 1 10 . 1 1 121 121 ASP CB C 121 44.076 44.076 43.183 0.893 17762 5850 1 10 . 1 1 121 121 ASP H H 121 8.644 8.644 8.252 0.392 17762 5851 1 10 . 1 1 122 122 ALA N N 122 116.961 116.961 118.712 -1.751 17762 5852 1 10 . 1 1 122 122 ALA HA H 122 4.491 4.491 4.484 0.007 17762 5853 1 10 . 1 1 122 122 ALA CA C 122 49.345 49.345 51.865 -2.520 17762 5854 1 10 . 1 1 122 122 ALA CB C 122 19.194 19.194 20.980 -1.786 17762 5855 1 10 . 1 1 122 122 ALA H H 122 7.419 7.419 7.196 0.223 17762 5856 1 10 . 1 1 123 123 SER N N 123 112.579 112.579 115.298 -2.719 17762 5857 1 10 . 1 1 123 123 SER HA H 123 5.325 5.325 5.596 -0.271 17762 5858 1 10 . 1 1 123 123 SER CA C 123 54.321 54.321 57.499 -3.178 17762 5859 1 10 . 1 1 123 123 SER CB C 123 63.981 63.981 66.466 -2.485 17762 5860 1 10 . 1 1 123 123 SER H H 123 8.092 8.092 8.382 -0.290 17762 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 116 3.548 0.033 3.564 17762 2 1 1 "Average Difference" HA 119 0.380 -0.105 0.366 17762 3 1 1 "Average Difference" C 1 172.357 172.357 0.000 17762 4 1 1 "Average Difference" CA 122 3.297 2.794 1.758 17762 5 1 1 "Average Difference" CB 115 4.376 1.038 4.270 17762 6 1 1 "Average Difference" HN 116 0.621 0.067 0.621 17762 7 1 2 "Average Difference" N 116 3.600 0.147 3.612 17762 8 1 2 "Average Difference" HA 119 0.382 -0.100 0.371 17762 9 1 2 "Average Difference" C 1 172.370 172.370 0.000 17762 10 1 2 "Average Difference" CA 122 3.271 2.757 1.767 17762 11 1 2 "Average Difference" CB 115 4.454 1.153 4.322 17762 12 1 2 "Average Difference" HN 116 0.603 0.090 0.599 17762 13 1 3 "Average Difference" N 116 3.505 -0.180 3.516 17762 14 1 3 "Average Difference" HA 119 0.379 -0.088 0.370 17762 15 1 3 "Average Difference" C 1 172.601 172.601 0.000 17762 16 1 3 "Average Difference" CA 122 3.390 2.832 1.871 17762 17 1 3 "Average Difference" CB 115 4.576 1.098 4.461 17762 18 1 3 "Average Difference" HN 116 0.677 0.082 0.675 17762 19 1 4 "Average Difference" N 116 3.458 -0.483 3.439 17762 20 1 4 "Average Difference" HA 119 0.366 -0.070 0.361 17762 21 1 4 "Average Difference" C 1 172.926 172.926 0.000 17762 22 1 4 "Average Difference" CA 122 3.239 2.753 1.712 17762 23 1 4 "Average Difference" CB 115 4.477 1.259 4.315 17762 24 1 4 "Average Difference" HN 116 0.593 0.073 0.591 17762 25 1 5 "Average Difference" N 116 3.372 0.088 3.386 17762 26 1 5 "Average Difference" HA 119 0.381 -0.080 0.374 17762 27 1 5 "Average Difference" C 1 172.391 172.391 0.000 17762 28 1 5 "Average Difference" CA 122 3.194 2.723 1.676 17762 29 1 5 "Average Difference" CB 115 4.381 1.133 4.251 17762 30 1 5 "Average Difference" HN 116 0.621 0.068 0.620 17762 31 1 6 "Average Difference" N 116 3.327 -0.051 3.341 17762 32 1 6 "Average Difference" HA 119 0.397 -0.128 0.378 17762 33 1 6 "Average Difference" C 1 172.754 172.754 0.000 17762 34 1 6 "Average Difference" CA 122 3.272 2.838 1.635 17762 35 1 6 "Average Difference" CB 115 4.444 1.073 4.332 17762 36 1 6 "Average Difference" HN 116 0.606 0.048 0.607 17762 37 1 7 "Average Difference" N 116 3.426 -0.083 3.440 17762 38 1 7 "Average Difference" HA 119 0.403 -0.121 0.386 17762 39 1 7 "Average Difference" C 1 172.931 172.931 0.000 17762 40 1 7 "Average Difference" CA 122 3.314 2.768 1.830 17762 41 1 7 "Average Difference" CB 115 4.378 0.993 4.283 17762 42 1 7 "Average Difference" HN 116 0.670 0.065 0.670 17762 43 1 8 "Average Difference" N 116 3.588 0.025 3.603 17762 44 1 8 "Average Difference" HA 119 0.399 -0.076 0.393 17762 45 1 8 "Average Difference" C 1 172.841 172.841 0.000 17762 46 1 8 "Average Difference" CA 122 3.299 2.765 1.807 17762 47 1 8 "Average Difference" CB 115 4.513 1.194 4.371 17762 48 1 8 "Average Difference" HN 116 0.635 0.034 0.636 17762 49 1 9 "Average Difference" N 116 3.314 -0.149 3.325 17762 50 1 9 "Average Difference" HA 119 0.355 -0.096 0.344 17762 51 1 9 "Average Difference" C 1 172.405 172.405 0.000 17762 52 1 9 "Average Difference" CA 122 3.330 2.802 1.808 17762 53 1 9 "Average Difference" CB 115 4.388 1.249 4.225 17762 54 1 9 "Average Difference" HN 116 0.605 0.085 0.601 17762 55 1 10 "Average Difference" N 116 3.670 -0.160 3.683 17762 56 1 10 "Average Difference" HA 119 0.420 -0.109 0.408 17762 57 1 10 "Average Difference" C 1 172.675 172.675 0.000 17762 58 1 10 "Average Difference" CA 122 3.284 2.816 1.696 17762 59 1 10 "Average Difference" CB 115 4.536 1.136 4.411 17762 60 1 10 "Average Difference" HN 116 0.652 0.051 0.653 17762 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 17762 _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 2 126.119 126.119 122.393 3.726 17762 2 1 . 1 1 2 2 GLU HA H 2 4.370 4.370 4.453 -0.083 17762 3 1 . 1 1 2 2 GLU CA C 2 53.440 53.440 55.993 -2.553 17762 4 1 . 1 1 2 2 GLU CB C 2 29.147 29.147 30.324 -1.177 17762 5 1 . 1 1 2 2 GLU H H 2 8.448 8.448 8.743 -0.295 17762 6 1 . 1 1 3 3 SER N N 3 124.530 124.530 119.101 5.429 17762 7 1 . 1 1 3 3 SER HA H 3 4.500 4.500 4.484 0.016 17762 8 1 . 1 1 3 3 SER CA C 3 54.907 54.907 57.893 -2.986 17762 9 1 . 1 1 3 3 SER CB C 3 62.511 62.511 62.702 -0.192 17762 10 1 . 1 1 3 3 SER H H 3 8.755 8.755 8.481 0.274 17762 11 1 . 1 1 4 4 ALA N N 4 125.341 125.341 124.929 0.412 17762 12 1 . 1 1 4 4 ALA HA H 4 4.216 4.216 3.886 0.330 17762 13 1 . 1 1 4 4 ALA CA C 4 52.858 52.858 54.597 -1.739 17762 14 1 . 1 1 4 4 ALA CB C 4 15.389 15.389 17.200 -1.811 17762 15 1 . 1 1 4 4 ALA H H 4 8.961 8.961 8.357 0.604 17762 16 1 . 1 1 5 5 ALA N N 5 121.896 121.896 123.036 -1.140 17762 17 1 . 1 1 5 5 ALA HA H 5 4.375 4.375 4.259 0.116 17762 18 1 . 1 1 5 5 ALA CA C 5 52.565 52.565 55.409 -2.844 17762 19 1 . 1 1 5 5 ALA CB C 5 15.974 15.974 18.651 -2.677 17762 20 1 . 1 1 5 5 ALA H H 5 8.659 8.659 8.306 0.353 17762 21 1 . 1 1 6 6 ALA N N 6 123.734 123.734 120.364 3.370 17762 22 1 . 1 1 6 6 ALA HA H 6 4.216 4.216 4.155 0.061 17762 23 1 . 1 1 6 6 ALA CA C 6 52.272 52.272 55.122 -2.850 17762 24 1 . 1 1 6 6 ALA CB C 6 15.389 15.389 18.110 -2.721 17762 25 1 . 1 1 6 6 ALA H H 6 8.009 8.009 8.512 -0.503 17762 26 1 . 1 1 7 7 LYS N N 7 123.118 123.118 119.775 3.342 17762 27 1 . 1 1 7 7 LYS HA H 7 4.025 4.025 4.091 -0.066 17762 28 1 . 1 1 7 7 LYS CA C 7 57.834 57.834 58.861 -1.027 17762 29 1 . 1 1 7 7 LYS CB C 7 29.732 29.732 32.488 -2.756 17762 30 1 . 1 1 7 7 LYS H H 7 8.737 8.737 7.743 0.994 17762 31 1 . 1 1 8 8 PHE N N 8 120.604 120.604 121.086 -0.482 17762 32 1 . 1 1 8 8 PHE HA H 8 4.388 4.388 4.130 0.258 17762 33 1 . 1 1 8 8 PHE CA C 8 59.298 59.298 61.006 -1.708 17762 34 1 . 1 1 8 8 PHE CB C 8 36.465 36.465 38.607 -2.142 17762 35 1 . 1 1 8 8 PHE H H 8 8.058 8.058 8.705 -0.647 17762 36 1 . 1 1 9 9 GLU N N 9 119.978 119.978 119.976 0.002 17762 37 1 . 1 1 9 9 GLU HA H 9 3.742 3.742 3.354 0.388 17762 38 1 . 1 1 9 9 GLU CA C 9 58.127 58.127 59.599 -1.472 17762 39 1 . 1 1 9 9 GLU CB C 9 35.001 35.001 29.353 5.648 17762 40 1 . 1 1 9 9 GLU H H 9 7.922 7.922 8.509 -0.586 17762 41 1 . 1 1 10 10 ARG N N 10 120.914 120.914 116.449 4.465 17762 42 1 . 1 1 10 10 ARG HA H 10 4.197 4.197 3.974 0.223 17762 43 1 . 1 1 10 10 ARG CA C 10 56.663 56.663 57.908 -1.245 17762 44 1 . 1 1 10 10 ARG CB C 10 27.683 27.683 29.751 -2.068 17762 45 1 . 1 1 10 10 ARG H H 10 8.323 8.323 8.062 0.261 17762 46 1 . 1 1 11 11 GLN N N 11 112.201 112.201 114.812 -2.611 17762 47 1 . 1 1 11 11 GLN HA H 11 3.787 3.787 4.076 -0.289 17762 48 1 . 1 1 11 11 GLN CA C 11 55.492 55.492 57.665 -2.173 17762 49 1 . 1 1 11 11 GLN CB C 11 26.805 26.805 29.304 -2.499 17762 50 1 . 1 1 11 11 GLN H H 11 8.425 8.425 7.966 0.459 17762 51 1 . 1 1 12 12 HIS N N 12 106.607 106.607 114.702 -8.095 17762 52 1 . 1 1 12 12 HIS HA H 12 4.943 4.943 4.539 0.404 17762 53 1 . 1 1 12 12 HIS CA C 12 52.272 52.272 55.894 -3.622 17762 54 1 . 1 1 12 12 HIS CB C 12 27.680 27.680 32.367 -4.688 17762 55 1 . 1 1 12 12 HIS H H 12 7.708 7.708 7.932 -0.224 17762 56 1 . 1 1 13 13 MET N N 13 117.217 117.217 121.360 -4.143 17762 57 1 . 1 1 13 13 MET HA H 13 5.460 5.460 4.375 1.085 17762 58 1 . 1 1 13 13 MET CA C 13 50.516 50.516 54.139 -3.623 17762 59 1 . 1 1 13 13 MET CB C 13 27.098 27.098 31.957 -4.859 17762 60 1 . 1 1 13 13 MET H H 13 8.037 8.037 7.769 0.268 17762 61 1 . 1 1 14 14 ASP N N 14 123.910 123.910 125.425 -1.515 17762 62 1 . 1 1 14 14 ASP HA H 14 5.024 5.024 4.540 0.484 17762 63 1 . 1 1 14 14 ASP CA C 14 51.101 51.101 53.631 -2.530 17762 64 1 . 1 1 14 14 ASP CB C 14 37.636 37.636 42.543 -4.907 17762 65 1 . 1 1 14 14 ASP H H 14 8.805 8.805 8.476 0.329 17762 66 1 . 1 1 15 15 SER N N 15 121.832 121.832 115.905 5.927 17762 67 1 . 1 1 15 15 SER HA H 15 4.202 4.202 4.166 0.036 17762 68 1 . 1 1 15 15 SER CA C 15 58.127 58.127 58.185 -0.058 17762 69 1 . 1 1 15 15 SER CB C 15 61.347 61.347 63.017 -1.670 17762 70 1 . 1 1 15 15 SER H H 15 8.943 8.943 8.153 0.790 17762 71 1 . 1 1 16 16 GLY N N 16 111.703 111.703 110.164 1.539 17762 72 1 . 1 1 16 16 GLY CA C 16 42.905 42.905 44.926 -2.021 17762 73 1 . 1 1 16 16 GLY H H 16 8.586 8.586 8.163 0.423 17762 74 1 . 1 1 17 17 ASN N N 17 119.334 119.334 118.811 0.523 17762 75 1 . 1 1 17 17 ASN HA H 17 4.660 4.660 4.736 -0.076 17762 76 1 . 1 1 17 17 ASN CA C 17 50.223 50.223 53.316 -3.093 17762 77 1 . 1 1 17 17 ASN CB C 17 37.346 37.346 39.284 -1.938 17762 78 1 . 1 1 17 17 ASN H H 17 7.983 7.983 8.393 -0.411 17762 79 1 . 1 1 18 18 SER N N 18 117.557 117.557 117.410 0.147 17762 80 1 . 1 1 18 18 SER HA H 18 4.187 4.187 4.765 -0.578 17762 81 1 . 1 1 18 18 SER CA C 18 53.443 53.443 56.457 -3.014 17762 82 1 . 1 1 18 18 SER CB C 18 60.468 60.468 64.140 -3.672 17762 83 1 . 1 1 18 18 SER H H 18 8.291 8.291 8.405 -0.114 17762 84 1 . 1 1 19 19 PRO HA H 19 4.204 4.204 4.568 -0.364 17762 85 1 . 1 1 19 19 PRO CA C 19 60.468 60.468 62.931 -2.463 17762 86 1 . 1 1 19 19 PRO CB C 19 29.147 29.147 31.551 -2.404 17762 87 1 . 1 1 20 20 SER N N 20 115.589 115.589 115.835 -0.246 17762 88 1 . 1 1 20 20 SER HA H 20 4.370 4.370 4.322 0.048 17762 89 1 . 1 1 20 20 SER CA C 20 54.907 54.907 58.705 -3.798 17762 90 1 . 1 1 20 20 SER CB C 20 61.347 61.347 63.037 -1.690 17762 91 1 . 1 1 20 20 SER H H 20 8.118 8.118 8.468 -0.350 17762 92 1 . 1 1 21 21 SER N N 21 118.787 118.787 117.704 1.083 17762 93 1 . 1 1 21 21 SER HA H 21 4.398 4.398 4.249 0.149 17762 94 1 . 1 1 21 21 SER CA C 21 56.370 56.370 58.639 -2.269 17762 95 1 . 1 1 21 21 SER CB C 21 61.639 61.639 63.251 -1.612 17762 96 1 . 1 1 21 21 SER H H 21 8.406 8.406 8.353 0.053 17762 97 1 . 1 1 22 22 SER N N 22 116.967 116.967 116.137 0.830 17762 98 1 . 1 1 22 22 SER HA H 22 4.579 4.579 4.433 0.146 17762 99 1 . 1 1 22 22 SER CA C 22 56.076 56.076 58.989 -2.913 17762 100 1 . 1 1 22 22 SER CB C 22 61.054 61.054 63.188 -2.134 17762 101 1 . 1 1 22 22 SER H H 22 8.278 8.278 8.329 -0.051 17762 102 1 . 1 1 23 23 SER N N 23 119.166 119.166 119.672 -0.506 17762 103 1 . 1 1 23 23 SER HA H 23 4.520 4.520 4.152 0.368 17762 104 1 . 1 1 23 23 SER CA C 23 57.956 57.956 60.819 -2.862 17762 105 1 . 1 1 23 23 SER CB C 23 61.639 61.639 62.885 -1.246 17762 106 1 . 1 1 23 23 SER H H 23 8.376 8.376 8.549 -0.173 17762 107 1 . 1 1 24 24 ASN N N 24 120.511 120.511 121.515 -1.004 17762 108 1 . 1 1 24 24 ASN HA H 24 4.940 4.940 4.323 0.617 17762 109 1 . 1 1 24 24 ASN CA C 24 50.516 50.516 56.249 -5.733 17762 110 1 . 1 1 24 24 ASN CB C 24 36.758 36.758 37.645 -0.887 17762 111 1 . 1 1 24 24 ASN H H 24 8.483 8.483 8.091 0.392 17762 112 1 . 1 1 25 25 TYR N N 25 121.549 121.549 118.811 2.738 17762 113 1 . 1 1 25 25 TYR HA H 25 3.941 3.941 4.274 -0.333 17762 114 1 . 1 1 25 25 TYR CA C 25 59.883 59.883 60.511 -0.628 17762 115 1 . 1 1 25 25 TYR CB C 25 36.465 36.465 37.072 -0.607 17762 116 1 . 1 1 25 25 TYR H H 25 7.765 7.765 7.495 0.270 17762 117 1 . 1 1 26 26 CYS N N 26 115.301 115.301 119.016 -3.715 17762 118 1 . 1 1 26 26 CYS HA H 26 3.784 3.784 3.786 -0.002 17762 119 1 . 1 1 26 26 CYS CA C 26 59.005 59.005 63.240 -4.235 17762 120 1 . 1 1 26 26 CYS CB C 26 37.636 37.636 25.833 11.803 17762 121 1 . 1 1 26 26 CYS H H 26 7.800 7.800 7.983 -0.183 17762 122 1 . 1 1 27 27 ASN N N 27 120.386 120.386 117.802 2.584 17762 123 1 . 1 1 27 27 ASN HA H 27 4.376 4.376 4.463 -0.087 17762 124 1 . 1 1 27 27 ASN CA C 27 53.736 53.736 56.631 -2.895 17762 125 1 . 1 1 27 27 ASN CB C 27 34.416 34.416 38.417 -4.001 17762 126 1 . 1 1 27 27 ASN H H 27 7.774 7.774 8.196 -0.422 17762 127 1 . 1 1 28 28 LEU N N 28 120.114 120.114 122.723 -2.609 17762 128 1 . 1 1 28 28 LEU HA H 28 4.085 4.085 4.035 0.050 17762 129 1 . 1 1 28 28 LEU CA C 28 55.199 55.199 58.441 -3.242 17762 130 1 . 1 1 28 28 LEU CB C 28 39.978 39.978 41.514 -1.536 17762 131 1 . 1 1 28 28 LEU H H 28 7.434 7.434 8.721 -1.287 17762 132 1 . 1 1 29 29 MET N N 29 118.101 118.101 118.366 -0.265 17762 133 1 . 1 1 29 29 MET HA H 29 4.189 4.189 3.944 0.245 17762 134 1 . 1 1 29 29 MET CA C 29 53.443 53.443 59.132 -5.689 17762 135 1 . 1 1 29 29 MET CB C 29 28.269 28.269 32.405 -4.136 17762 136 1 . 1 1 29 29 MET H H 29 8.474 8.474 8.432 0.042 17762 137 1 . 1 1 30 30 MET N N 30 116.980 116.980 118.885 -1.905 17762 138 1 . 1 1 30 30 MET HA H 30 4.308 4.308 4.050 0.258 17762 139 1 . 1 1 30 30 MET CA C 30 54.614 54.614 58.837 -4.223 17762 140 1 . 1 1 30 30 MET CB C 30 27.098 27.098 31.332 -4.234 17762 141 1 . 1 1 30 30 MET H H 30 8.672 8.672 8.162 0.510 17762 142 1 . 1 1 31 31 CYS N N 31 116.217 116.217 119.518 -3.301 17762 143 1 . 1 1 31 31 CYS HA H 31 4.713 4.713 4.114 0.599 17762 144 1 . 1 1 31 31 CYS CA C 31 55.786 55.786 62.447 -6.661 17762 145 1 . 1 1 31 31 CYS CB C 31 39.392 39.392 27.709 11.683 17762 146 1 . 1 1 31 31 CYS H H 31 6.592 6.592 8.499 -1.907 17762 147 1 . 1 1 32 32 CYS N N 32 124.056 124.056 118.788 5.268 17762 148 1 . 1 1 32 32 CYS HA H 32 4.410 4.410 4.075 0.335 17762 149 1 . 1 1 32 32 CYS CA C 32 56.078 56.078 62.129 -6.050 17762 150 1 . 1 1 32 32 CYS CB C 32 37.343 37.343 27.964 9.379 17762 151 1 . 1 1 32 32 CYS H H 32 9.448 9.448 8.545 0.902 17762 152 1 . 1 1 33 33 ARG N N 33 116.829 116.829 118.829 -2.000 17762 153 1 . 1 1 33 33 ARG HA H 33 4.467 4.467 4.305 0.162 17762 154 1 . 1 1 33 33 ARG CA C 33 50.809 50.809 56.275 -5.466 17762 155 1 . 1 1 33 33 ARG CB C 33 26.220 26.220 30.460 -4.240 17762 156 1 . 1 1 33 33 ARG H H 33 8.099 8.099 8.188 -0.089 17762 157 1 . 1 1 34 34 LYS N N 34 111.068 111.068 117.590 -6.522 17762 158 1 . 1 1 34 34 LYS HA H 34 4.360 4.360 4.159 0.201 17762 159 1 . 1 1 34 34 LYS CA C 34 54.321 54.321 57.169 -2.848 17762 160 1 . 1 1 34 34 LYS CB C 34 25.634 25.634 30.413 -4.779 17762 161 1 . 1 1 34 34 LYS H H 34 7.690 7.690 8.129 -0.439 17762 162 1 . 1 1 35 35 MET N N 35 116.639 116.639 116.581 0.058 17762 163 1 . 1 1 35 35 MET HA H 35 4.749 4.749 4.389 0.360 17762 164 1 . 1 1 35 35 MET CA C 35 53.443 53.443 57.461 -4.017 17762 165 1 . 1 1 35 35 MET CB C 35 30.903 30.903 32.268 -1.365 17762 166 1 . 1 1 35 35 MET H H 35 8.195 8.195 8.355 -0.160 17762 167 1 . 1 1 36 36 THR N N 36 107.641 107.641 112.057 -4.416 17762 168 1 . 1 1 36 36 THR HA H 36 5.292 5.292 4.545 0.747 17762 169 1 . 1 1 36 36 THR CA C 36 58.127 58.127 62.545 -4.418 17762 170 1 . 1 1 36 36 THR CB C 36 66.030 66.030 67.825 -1.795 17762 171 1 . 1 1 36 36 THR H H 36 7.562 7.562 8.102 -0.540 17762 172 1 . 1 1 37 37 GLN N N 37 121.079 121.079 121.898 -0.819 17762 173 1 . 1 1 37 37 GLN HA H 37 4.554 4.554 4.352 0.202 17762 174 1 . 1 1 37 37 GLN CA C 37 52.858 52.858 57.071 -4.213 17762 175 1 . 1 1 37 37 GLN CB C 37 26.220 26.220 28.793 -2.573 17762 176 1 . 1 1 37 37 GLN H H 37 7.334 7.334 8.177 -0.843 17762 177 1 . 1 1 38 38 GLY N N 38 118.390 118.390 108.304 10.086 17762 178 1 . 1 1 38 38 GLY CA C 38 43.783 43.783 45.636 -1.853 17762 179 1 . 1 1 38 38 GLY H H 38 8.345 8.345 8.502 -0.157 17762 180 1 . 1 1 39 39 LYS N N 39 116.961 116.961 116.893 0.068 17762 181 1 . 1 1 39 39 LYS HA H 39 3.555 3.555 3.812 -0.257 17762 182 1 . 1 1 39 39 LYS CA C 39 52.272 52.272 54.432 -2.160 17762 183 1 . 1 1 39 39 LYS CB C 39 31.196 31.196 34.007 -2.811 17762 184 1 . 1 1 39 39 LYS H H 39 7.222 7.222 7.658 -0.436 17762 185 1 . 1 1 40 40 CYS N N 40 119.480 119.480 118.715 0.765 17762 186 1 . 1 1 40 40 CYS HA H 40 4.787 4.787 4.786 0.001 17762 187 1 . 1 1 40 40 CYS CA C 40 50.809 50.809 57.047 -6.238 17762 188 1 . 1 1 40 40 CYS CB C 40 34.101 34.101 28.792 5.309 17762 189 1 . 1 1 40 40 CYS H H 40 8.891 8.891 8.621 0.270 17762 190 1 . 1 1 41 41 LYS N N 41 130.320 130.320 124.659 5.661 17762 191 1 . 1 1 41 41 LYS HA H 41 4.550 4.550 4.715 -0.165 17762 192 1 . 1 1 41 41 LYS CA C 41 53.443 53.443 53.949 -0.506 17762 193 1 . 1 1 41 41 LYS CB C 41 31.489 31.489 33.036 -1.547 17762 194 1 . 1 1 41 41 LYS H H 41 7.902 7.902 8.558 -0.655 17762 195 1 . 1 1 42 42 PRO HA H 42 4.600 4.600 4.340 0.260 17762 196 1 . 1 1 42 42 PRO CA C 42 63.981 63.981 64.277 -0.296 17762 197 1 . 1 1 42 42 PRO CB C 42 29.732 29.732 32.292 -2.560 17762 198 1 . 1 1 43 43 VAL N N 43 111.738 111.738 111.734 0.004 17762 199 1 . 1 1 43 43 VAL HA H 43 5.302 5.302 5.027 0.275 17762 200 1 . 1 1 43 43 VAL CA C 43 56.663 56.663 59.177 -2.514 17762 201 1 . 1 1 43 43 VAL CB C 43 32.952 32.952 35.363 -2.411 17762 202 1 . 1 1 43 43 VAL H H 43 6.967 6.967 7.394 -0.427 17762 203 1 . 1 1 44 44 ASN N N 44 120.558 120.558 123.031 -2.473 17762 204 1 . 1 1 44 44 ASN HA H 44 4.770 4.770 5.015 -0.245 17762 205 1 . 1 1 44 44 ASN CA C 44 51.687 51.687 52.951 -1.264 17762 206 1 . 1 1 44 44 ASN CB C 44 41.734 41.734 41.784 -0.050 17762 207 1 . 1 1 44 44 ASN H H 44 8.741 8.741 9.244 -0.503 17762 208 1 . 1 1 45 45 THR N N 45 120.658 120.658 120.786 -0.128 17762 209 1 . 1 1 45 45 THR HA H 45 5.142 5.142 4.444 0.699 17762 210 1 . 1 1 45 45 THR CA C 45 59.005 59.005 62.441 -3.436 17762 211 1 . 1 1 45 45 THR CB C 45 68.079 68.079 68.784 -0.704 17762 212 1 . 1 1 45 45 THR H H 45 6.938 6.938 8.264 -1.326 17762 213 1 . 1 1 46 46 PHE N N 46 125.168 125.168 126.366 -1.198 17762 214 1 . 1 1 46 46 PHE HA H 46 4.916 4.916 4.629 0.287 17762 215 1 . 1 1 46 46 PHE CA C 46 54.321 54.321 55.241 -0.920 17762 216 1 . 1 1 46 46 PHE CB C 46 26.692 26.692 39.350 -12.658 17762 217 1 . 1 1 46 46 PHE H H 46 9.318 9.318 8.917 0.401 17762 218 1 . 1 1 47 47 VAL N N 47 121.430 121.430 121.552 -0.122 17762 219 1 . 1 1 47 47 VAL HA H 47 4.212 4.212 4.180 0.032 17762 220 1 . 1 1 47 47 VAL CA C 47 59.280 59.280 62.272 -2.992 17762 221 1 . 1 1 47 47 VAL CB C 47 30.025 30.025 32.775 -2.750 17762 222 1 . 1 1 47 47 VAL H H 47 9.333 9.333 8.769 0.564 17762 223 1 . 1 1 48 48 HIS N N 48 125.243 125.243 125.590 -0.347 17762 224 1 . 1 1 48 48 HIS HA H 48 5.314 5.314 5.036 0.278 17762 225 1 . 1 1 48 48 HIS CA C 48 51.979 51.979 55.035 -3.056 17762 226 1 . 1 1 48 48 HIS CB C 48 25.634 25.634 30.495 -4.861 17762 227 1 . 1 1 48 48 HIS H H 48 8.772 8.772 8.938 -0.166 17762 228 1 . 1 1 49 49 GLU N N 49 117.070 117.070 122.310 -5.240 17762 229 1 . 1 1 49 49 GLU HA H 49 4.763 4.763 4.513 0.250 17762 230 1 . 1 1 49 49 GLU CA C 49 51.101 51.101 55.138 -4.037 17762 231 1 . 1 1 49 49 GLU CB C 49 28.269 28.269 33.206 -4.937 17762 232 1 . 1 1 49 49 GLU H H 49 6.558 6.558 7.952 -1.394 17762 233 1 . 1 1 50 50 SER N N 50 117.468 117.468 116.858 0.610 17762 234 1 . 1 1 50 50 SER HA H 50 4.240 4.240 4.628 -0.388 17762 235 1 . 1 1 50 50 SER CA C 50 55.199 55.199 57.676 -2.477 17762 236 1 . 1 1 50 50 SER CB C 50 61.932 61.932 63.876 -1.944 17762 237 1 . 1 1 50 50 SER H H 50 9.589 9.589 8.537 1.052 17762 238 1 . 1 1 51 51 LEU N N 51 124.046 124.046 128.647 -4.601 17762 239 1 . 1 1 51 51 LEU HA H 51 4.088 4.088 3.965 0.123 17762 240 1 . 1 1 51 51 LEU CA C 51 55.785 55.785 58.526 -2.741 17762 241 1 . 1 1 51 51 LEU CB C 51 38.514 38.514 41.996 -3.482 17762 242 1 . 1 1 51 51 LEU H H 51 8.783 8.783 8.806 -0.022 17762 243 1 . 1 1 52 52 ALA N N 52 120.494 120.494 119.150 1.344 17762 244 1 . 1 1 52 52 ALA HA H 52 3.959 3.959 3.919 0.040 17762 245 1 . 1 1 52 52 ALA CA C 52 52.858 52.858 55.001 -2.143 17762 246 1 . 1 1 52 52 ALA CB C 52 15.682 15.682 17.863 -2.181 17762 247 1 . 1 1 52 52 ALA H H 52 8.462 8.462 8.194 0.268 17762 248 1 . 1 1 53 53 ASP N N 53 120.265 120.265 119.327 0.938 17762 249 1 . 1 1 53 53 ASP HA H 53 4.372 4.372 4.450 -0.078 17762 250 1 . 1 1 53 53 ASP CA C 53 54.907 54.907 57.188 -2.281 17762 251 1 . 1 1 53 53 ASP CB C 53 37.050 37.050 40.832 -3.781 17762 252 1 . 1 1 53 53 ASP H H 53 7.835 7.835 7.797 0.038 17762 253 1 . 1 1 54 54 VAL N N 54 121.771 121.771 120.515 1.256 17762 254 1 . 1 1 54 54 VAL HA H 54 3.703 3.703 3.634 0.069 17762 255 1 . 1 1 54 54 VAL CA C 54 64.274 64.274 66.821 -2.546 17762 256 1 . 1 1 54 54 VAL CB C 54 29.147 29.147 31.413 -2.267 17762 257 1 . 1 1 54 54 VAL H H 54 7.879 7.879 8.131 -0.252 17762 258 1 . 1 1 55 55 LYS N N 55 119.973 119.973 119.319 0.654 17762 259 1 . 1 1 55 55 LYS HA H 55 3.641 3.641 3.968 -0.327 17762 260 1 . 1 1 55 55 LYS CA C 55 57.839 57.839 59.487 -1.648 17762 261 1 . 1 1 55 55 LYS CB C 55 29.732 29.732 32.169 -2.437 17762 262 1 . 1 1 55 55 LYS H H 55 9.000 9.000 8.103 0.897 17762 263 1 . 1 1 56 56 ALA N N 56 120.213 120.213 122.358 -2.145 17762 264 1 . 1 1 56 56 ALA HA H 56 4.015 4.015 4.055 -0.041 17762 265 1 . 1 1 56 56 ALA CA C 56 51.394 51.394 54.845 -3.451 17762 266 1 . 1 1 56 56 ALA CB C 56 14.803 14.803 18.418 -3.615 17762 267 1 . 1 1 56 56 ALA H H 56 7.534 7.534 7.897 -0.363 17762 268 1 . 1 1 57 57 VAL N N 57 121.006 121.006 119.075 1.931 17762 269 1 . 1 1 57 57 VAL HA H 57 3.203 3.203 3.656 -0.453 17762 270 1 . 1 1 57 57 VAL CA C 57 63.396 63.396 66.719 -3.323 17762 271 1 . 1 1 57 57 VAL CB C 57 28.561 28.561 30.846 -2.285 17762 272 1 . 1 1 57 57 VAL H H 57 7.575 7.575 8.507 -0.932 17762 273 1 . 1 1 58 58 CYS N N 58 113.037 113.037 116.702 -3.665 17762 274 1 . 1 1 58 58 CYS HA H 58 3.520 3.520 3.932 -0.412 17762 275 1 . 1 1 58 58 CYS CA C 58 51.979 51.979 60.855 -8.876 17762 276 1 . 1 1 58 58 CYS CB C 58 36.465 36.465 26.099 10.366 17762 277 1 . 1 1 58 58 CYS H H 58 6.809 6.809 7.886 -1.077 17762 278 1 . 1 1 59 59 SER N N 59 113.164 113.164 114.441 -1.277 17762 279 1 . 1 1 59 59 SER HA H 59 4.569 4.569 4.331 0.238 17762 280 1 . 1 1 59 59 SER CA C 59 55.785 55.785 58.675 -2.890 17762 281 1 . 1 1 59 59 SER CB C 59 61.054 61.054 62.707 -1.653 17762 282 1 . 1 1 59 59 SER H H 59 7.480 7.480 7.936 -0.456 17762 283 1 . 1 1 60 60 GLN N N 60 124.351 124.351 121.323 3.028 17762 284 1 . 1 1 60 60 GLN HA H 60 4.599 4.599 4.537 0.062 17762 285 1 . 1 1 60 60 GLN CA C 60 52.565 52.565 56.577 -4.011 17762 286 1 . 1 1 60 60 GLN CB C 60 22.414 22.414 30.843 -8.429 17762 287 1 . 1 1 60 60 GLN H H 60 7.702 7.702 7.914 -0.212 17762 288 1 . 1 1 61 61 LYS N N 61 122.353 122.353 121.415 0.938 17762 289 1 . 1 1 61 61 LYS HA H 61 4.261 4.261 4.515 -0.254 17762 290 1 . 1 1 61 61 LYS CA C 61 54.614 54.614 54.954 -0.340 17762 291 1 . 1 1 61 61 LYS CB C 61 31.489 31.489 33.227 -1.738 17762 292 1 . 1 1 61 61 LYS H H 61 7.540 7.540 8.278 -0.738 17762 293 1 . 1 1 62 62 LYS N N 62 129.878 129.878 127.284 2.594 17762 294 1 . 1 1 62 62 LYS HA H 62 4.050 4.050 3.534 0.516 17762 295 1 . 1 1 62 62 LYS CA C 62 54.907 54.907 56.704 -1.797 17762 296 1 . 1 1 62 62 LYS CB C 62 30.318 30.318 31.988 -1.670 17762 297 1 . 1 1 62 62 LYS H H 62 8.408 8.408 8.436 -0.028 17762 298 1 . 1 1 63 63 VAL N N 63 121.631 121.631 123.670 -2.039 17762 299 1 . 1 1 63 63 VAL HA H 63 4.516 4.516 4.493 0.023 17762 300 1 . 1 1 63 63 VAL CA C 63 56.663 56.663 59.299 -2.636 17762 301 1 . 1 1 63 63 VAL CB C 63 33.538 33.538 34.740 -1.202 17762 302 1 . 1 1 63 63 VAL H H 63 8.317 8.317 8.532 -0.215 17762 303 1 . 1 1 64 64 THR N N 64 116.885 116.885 117.755 -0.870 17762 304 1 . 1 1 64 64 THR HA H 64 4.296 4.296 4.380 -0.084 17762 305 1 . 1 1 64 64 THR CA C 64 60.468 60.468 62.364 -1.896 17762 306 1 . 1 1 64 64 THR CB C 64 67.201 67.201 68.699 -1.498 17762 307 1 . 1 1 64 64 THR H H 64 7.965 7.965 8.122 -0.157 17762 308 1 . 1 1 65 65 CYS N N 65 124.789 124.789 124.809 -0.020 17762 309 1 . 1 1 65 65 CYS HA H 65 4.407 4.407 4.308 0.100 17762 310 1 . 1 1 65 65 CYS CA C 65 51.101 51.101 58.669 -7.568 17762 311 1 . 1 1 65 65 CYS CB C 65 36.465 36.465 28.183 8.282 17762 312 1 . 1 1 65 65 CYS H H 65 8.790 8.790 8.534 0.256 17762 313 1 . 1 1 66 66 LYS N N 66 128.070 128.070 123.636 4.434 17762 314 1 . 1 1 66 66 LYS HA H 66 3.993 3.993 4.104 -0.111 17762 315 1 . 1 1 66 66 LYS CA C 66 56.663 56.663 57.703 -1.040 17762 316 1 . 1 1 66 66 LYS CB C 66 28.854 28.854 30.554 -1.700 17762 317 1 . 1 1 66 66 LYS H H 66 10.959 10.959 8.754 2.205 17762 318 1 . 1 1 67 67 ASP N N 67 117.000 117.000 119.174 -2.174 17762 319 1 . 1 1 67 67 ASP HA H 67 4.459 4.459 4.560 -0.101 17762 320 1 . 1 1 67 67 ASP CA C 67 50.809 50.809 54.805 -3.995 17762 321 1 . 1 1 67 67 ASP CB C 67 37.636 37.636 40.887 -3.251 17762 322 1 . 1 1 67 67 ASP H H 67 8.021 8.021 8.425 -0.404 17762 323 1 . 1 1 68 68 GLY N N 68 108.831 108.831 108.832 -0.001 17762 324 1 . 1 1 68 68 GLY CA C 68 42.612 42.612 45.208 -2.596 17762 325 1 . 1 1 68 68 GLY H H 68 8.029 8.029 8.238 -0.209 17762 326 1 . 1 1 69 69 GLN N N 69 120.061 120.061 119.386 0.675 17762 327 1 . 1 1 69 69 GLN HA H 69 4.357 4.357 4.362 -0.004 17762 328 1 . 1 1 69 69 GLN CA C 69 54.264 54.264 56.465 -2.201 17762 329 1 . 1 1 69 69 GLN CB C 69 27.683 27.683 29.931 -2.248 17762 330 1 . 1 1 69 69 GLN H H 69 8.115 8.115 8.925 -0.810 17762 331 1 . 1 1 70 70 THR N N 70 112.531 112.531 114.100 -1.569 17762 332 1 . 1 1 70 70 THR HA H 70 4.475 4.475 4.235 0.240 17762 333 1 . 1 1 70 70 THR CA C 70 58.712 58.712 61.981 -3.269 17762 334 1 . 1 1 70 70 THR CB C 70 67.201 67.201 69.125 -1.924 17762 335 1 . 1 1 70 70 THR H H 70 8.553 8.553 8.149 0.404 17762 336 1 . 1 1 71 71 ASN N N 71 119.619 119.619 120.674 -1.055 17762 337 1 . 1 1 71 71 ASN HA H 71 4.847 4.847 4.687 0.160 17762 338 1 . 1 1 71 71 ASN CA C 71 50.516 50.516 52.543 -2.027 17762 339 1 . 1 1 71 71 ASN CB C 71 35.587 35.587 38.083 -2.496 17762 340 1 . 1 1 71 71 ASN H H 71 8.219 8.219 8.550 -0.331 17762 341 1 . 1 1 72 72 CYS N N 72 118.100 118.100 119.979 -1.879 17762 342 1 . 1 1 72 72 CYS HA H 72 5.424 5.424 5.122 0.302 17762 343 1 . 1 1 72 72 CYS CA C 72 56.956 56.956 57.060 -0.104 17762 344 1 . 1 1 72 72 CYS CB C 72 43.198 43.198 28.022 15.176 17762 345 1 . 1 1 72 72 CYS H H 72 7.477 7.477 7.993 -0.516 17762 346 1 . 1 1 73 73 TYR N N 73 119.843 119.843 121.377 -1.534 17762 347 1 . 1 1 73 73 TYR HA H 73 5.121 5.121 5.050 0.071 17762 348 1 . 1 1 73 73 TYR CA C 73 55.199 55.199 56.852 -1.653 17762 349 1 . 1 1 73 73 TYR CB C 73 41.441 41.441 41.350 0.091 17762 350 1 . 1 1 73 73 TYR H H 73 8.983 8.983 9.355 -0.372 17762 351 1 . 1 1 74 74 GLN N N 74 123.174 123.174 124.407 -1.233 17762 352 1 . 1 1 74 74 GLN HA H 74 5.408 5.408 4.888 0.520 17762 353 1 . 1 1 74 74 GLN CA C 74 49.930 49.930 54.555 -4.625 17762 354 1 . 1 1 74 74 GLN H H 74 9.477 9.477 9.073 0.404 17762 355 1 . 1 1 75 75 SER N N 75 122.742 122.742 123.064 -0.322 17762 356 1 . 1 1 75 75 SER HA H 75 4.679 4.679 4.444 0.235 17762 357 1 . 1 1 75 75 SER CA C 75 55.764 55.764 59.200 -3.436 17762 358 1 . 1 1 75 75 SER CB C 75 62.424 62.424 64.153 -1.729 17762 359 1 . 1 1 75 75 SER H H 75 9.286 9.286 8.866 0.420 17762 360 1 . 1 1 76 76 LYS N N 76 127.293 127.293 122.774 4.519 17762 361 1 . 1 1 76 76 LYS HA H 76 4.202 4.202 4.035 0.168 17762 362 1 . 1 1 76 76 LYS CA C 76 56.370 56.370 58.724 -2.354 17762 363 1 . 1 1 76 76 LYS CB C 76 30.318 30.318 32.463 -2.145 17762 364 1 . 1 1 76 76 LYS H H 76 8.938 8.938 8.883 0.055 17762 365 1 . 1 1 77 77 SER N N 77 114.297 114.297 112.111 2.186 17762 366 1 . 1 1 77 77 SER HA H 77 4.888 4.888 4.745 0.143 17762 367 1 . 1 1 77 77 SER CA C 77 53.736 53.736 56.773 -3.037 17762 368 1 . 1 1 77 77 SER CB C 77 62.810 62.810 65.566 -2.756 17762 369 1 . 1 1 77 77 SER H H 77 8.592 8.592 7.791 0.801 17762 370 1 . 1 1 78 78 THR N N 78 113.859 113.859 113.267 0.592 17762 371 1 . 1 1 78 78 THR HA H 78 3.254 3.254 4.134 -0.880 17762 372 1 . 1 1 78 78 THR CA C 78 59.883 59.883 62.817 -2.934 17762 373 1 . 1 1 78 78 THR CB C 78 66.908 66.908 69.086 -2.178 17762 374 1 . 1 1 78 78 THR H H 78 8.134 8.134 8.253 -0.119 17762 375 1 . 1 1 79 79 MET N N 79 121.299 121.299 120.994 0.305 17762 376 1 . 1 1 79 79 MET HA H 79 4.643 4.643 4.781 -0.138 17762 377 1 . 1 1 79 79 MET CA C 79 52.858 52.858 54.160 -1.302 17762 378 1 . 1 1 79 79 MET CB C 79 34.416 34.416 37.293 -2.877 17762 379 1 . 1 1 79 79 MET H H 79 8.508 8.508 8.874 -0.366 17762 380 1 . 1 1 80 80 ARG N N 80 122.767 122.767 122.258 0.509 17762 381 1 . 1 1 80 80 ARG HA H 80 4.376 4.376 4.618 -0.242 17762 382 1 . 1 1 80 80 ARG CA C 80 54.907 54.907 56.219 -1.312 17762 383 1 . 1 1 80 80 ARG CB C 80 27.391 27.391 30.313 -2.922 17762 384 1 . 1 1 80 80 ARG H H 80 9.508 9.508 9.130 0.378 17762 385 1 . 1 1 81 81 ILE N N 81 120.594 120.594 122.404 -1.810 17762 386 1 . 1 1 81 81 ILE HA H 81 5.284 5.284 5.056 0.228 17762 387 1 . 1 1 81 81 ILE CA C 81 56.663 56.663 58.970 -2.307 17762 388 1 . 1 1 81 81 ILE CB C 81 39.978 39.978 41.084 -1.106 17762 389 1 . 1 1 81 81 ILE H H 81 8.645 8.645 9.216 -0.571 17762 390 1 . 1 1 82 82 THR N N 82 119.200 119.200 118.785 0.415 17762 391 1 . 1 1 82 82 THR HA H 82 5.020 5.020 4.699 0.321 17762 392 1 . 1 1 82 82 THR CA C 82 60.176 60.176 61.011 -0.835 17762 393 1 . 1 1 82 82 THR CB C 82 68.372 68.372 68.339 0.033 17762 394 1 . 1 1 82 82 THR H H 82 9.256 9.256 9.008 0.248 17762 395 1 . 1 1 83 83 ASP N N 83 127.841 127.841 127.245 0.597 17762 396 1 . 1 1 83 83 ASP HA H 83 5.029 5.029 4.572 0.457 17762 397 1 . 1 1 83 83 ASP CA C 83 51.101 51.101 54.933 -3.832 17762 398 1 . 1 1 83 83 ASP CB C 83 40.563 40.563 41.800 -1.238 17762 399 1 . 1 1 83 83 ASP H H 83 9.241 9.241 8.797 0.444 17762 400 1 . 1 1 84 84 CYS N N 84 122.123 122.123 126.293 -4.169 17762 401 1 . 1 1 84 84 CYS HA H 84 5.940 5.940 4.917 1.023 17762 402 1 . 1 1 84 84 CYS CA C 84 49.345 49.345 57.455 -8.110 17762 403 1 . 1 1 84 84 CYS CB C 84 36.465 36.465 27.855 8.610 17762 404 1 . 1 1 84 84 CYS H H 84 8.808 8.808 8.712 0.096 17762 405 1 . 1 1 85 85 ARG N N 85 122.200 122.200 127.650 -5.450 17762 406 1 . 1 1 85 85 ARG HA H 85 5.412 5.412 5.384 0.028 17762 407 1 . 1 1 85 85 ARG CA C 85 52.272 52.272 54.195 -1.923 17762 408 1 . 1 1 85 85 ARG CB C 85 30.903 30.903 35.276 -4.373 17762 409 1 . 1 1 85 85 ARG H H 85 8.204 8.204 9.158 -0.954 17762 410 1 . 1 1 86 86 GLU N N 86 128.674 128.674 124.754 3.920 17762 411 1 . 1 1 86 86 GLU HA H 86 4.288 4.288 4.666 -0.378 17762 412 1 . 1 1 86 86 GLU CA C 86 55.199 55.199 56.111 -0.912 17762 413 1 . 1 1 86 86 GLU CB C 86 29.732 29.732 30.407 -0.675 17762 414 1 . 1 1 86 86 GLU H H 86 8.762 8.762 8.508 0.254 17762 415 1 . 1 1 87 87 THR N N 87 115.660 115.660 115.815 -0.155 17762 416 1 . 1 1 87 87 THR HA H 87 4.507 4.507 4.455 0.052 17762 417 1 . 1 1 87 87 THR CA C 87 58.127 58.127 60.545 -2.418 17762 418 1 . 1 1 87 87 THR CB C 87 68.665 68.665 70.097 -1.432 17762 419 1 . 1 1 87 87 THR H H 87 8.118 8.118 8.904 -0.786 17762 420 1 . 1 1 88 88 GLY N N 88 107.768 107.768 108.849 -1.081 17762 421 1 . 1 1 88 88 GLY CA C 88 43.490 43.490 45.595 -2.105 17762 422 1 . 1 1 88 88 GLY H H 88 8.774 8.774 8.569 0.205 17762 423 1 . 1 1 89 89 SER N N 89 112.931 112.931 114.922 -1.991 17762 424 1 . 1 1 89 89 SER HA H 89 4.503 4.503 4.341 0.162 17762 425 1 . 1 1 89 89 SER CA C 89 55.199 55.199 57.980 -2.781 17762 426 1 . 1 1 89 89 SER CB C 89 61.054 61.054 63.704 -2.650 17762 427 1 . 1 1 89 89 SER H H 89 7.597 7.597 8.264 -0.667 17762 428 1 . 1 1 90 90 SER N N 90 118.245 118.245 118.240 0.005 17762 429 1 . 1 1 90 90 SER HA H 90 3.943 3.943 4.277 -0.334 17762 430 1 . 1 1 90 90 SER CA C 90 56.370 56.370 59.153 -2.783 17762 431 1 . 1 1 90 90 SER CB C 90 60.468 60.468 63.133 -2.665 17762 432 1 . 1 1 90 90 SER H H 90 6.989 6.989 7.966 -0.977 17762 433 1 . 1 1 91 91 LYS N N 91 129.777 129.777 126.842 2.935 17762 434 1 . 1 1 91 91 LYS HA H 91 4.431 4.431 4.513 -0.082 17762 435 1 . 1 1 91 91 LYS CA C 91 53.443 53.443 54.933 -1.490 17762 436 1 . 1 1 91 91 LYS CB C 91 31.489 31.489 33.005 -1.516 17762 437 1 . 1 1 91 91 LYS H H 91 7.527 7.527 8.555 -1.028 17762 438 1 . 1 1 92 92 TYR N N 92 131.912 131.912 124.482 7.430 17762 439 1 . 1 1 92 92 TYR HA H 92 3.718 3.718 4.384 -0.666 17762 440 1 . 1 1 92 92 TYR CA C 92 56.078 56.078 57.695 -1.617 17762 441 1 . 1 1 92 92 TYR CB C 92 35.880 35.880 38.570 -2.690 17762 442 1 . 1 1 92 92 TYR H H 92 9.290 9.290 8.456 0.834 17762 443 1 . 1 1 93 93 PRO HA H 93 3.028 3.028 3.611 -0.583 17762 444 1 . 1 1 93 93 PRO CA C 93 61.347 61.347 63.121 -1.774 17762 445 1 . 1 1 93 93 PRO CB C 93 31.196 31.196 32.284 -1.088 17762 446 1 . 1 1 94 94 ASN N N 94 130.934 130.934 120.036 10.898 17762 447 1 . 1 1 94 94 ASN HA H 94 4.943 4.943 4.671 0.272 17762 448 1 . 1 1 94 94 ASN CA C 94 49.630 49.630 53.210 -3.580 17762 449 1 . 1 1 94 94 ASN CB C 94 35.001 35.001 37.663 -2.662 17762 450 1 . 1 1 94 94 ASN H H 94 8.823 8.823 8.289 0.534 17762 451 1 . 1 1 95 95 CYS N N 95 122.402 122.402 119.538 2.864 17762 452 1 . 1 1 95 95 CYS HA H 95 4.840 4.840 4.445 0.395 17762 453 1 . 1 1 95 95 CYS CA C 95 50.516 50.516 58.645 -8.129 17762 454 1 . 1 1 95 95 CYS CB C 95 35.880 35.880 26.922 8.959 17762 455 1 . 1 1 95 95 CYS H H 95 7.687 7.687 8.188 -0.500 17762 456 1 . 1 1 96 96 ALA N N 96 129.346 129.346 129.361 -0.015 17762 457 1 . 1 1 96 96 ALA HA H 96 4.746 4.746 4.586 0.161 17762 458 1 . 1 1 96 96 ALA CA C 96 49.052 49.052 51.158 -2.106 17762 459 1 . 1 1 96 96 ALA CB C 96 19.194 19.194 19.554 -0.360 17762 460 1 . 1 1 96 96 ALA H H 96 8.634 8.634 8.427 0.207 17762 461 1 . 1 1 97 97 TYR N N 97 118.353 118.353 123.167 -4.814 17762 462 1 . 1 1 97 97 TYR HA H 97 4.904 4.904 5.288 -0.384 17762 463 1 . 1 1 97 97 TYR CA C 97 55.785 55.785 58.001 -2.216 17762 464 1 . 1 1 97 97 TYR CB C 97 41.441 41.441 40.926 0.516 17762 465 1 . 1 1 97 97 TYR H H 97 9.368 9.368 8.436 0.932 17762 466 1 . 1 1 98 98 LYS N N 98 125.559 125.559 122.283 3.276 17762 467 1 . 1 1 98 98 LYS HA H 98 4.743 4.743 4.694 0.049 17762 468 1 . 1 1 98 98 LYS CA C 98 52.565 52.565 54.271 -1.706 17762 469 1 . 1 1 98 98 LYS CB C 98 31.489 31.489 36.067 -4.578 17762 470 1 . 1 1 98 98 LYS H H 98 9.427 9.427 9.227 0.200 17762 471 1 . 1 1 99 99 THR N N 99 126.667 126.667 121.316 5.351 17762 472 1 . 1 1 99 99 THR HA H 99 5.243 5.243 4.831 0.412 17762 473 1 . 1 1 99 99 THR CA C 99 60.176 60.176 61.833 -1.657 17762 474 1 . 1 1 99 99 THR CB C 99 68.665 68.665 70.210 -1.545 17762 475 1 . 1 1 99 99 THR H H 99 9.055 9.055 8.530 0.525 17762 476 1 . 1 1 100 100 THR N N 100 124.517 124.517 122.041 2.476 17762 477 1 . 1 1 100 100 THR HA H 100 4.637 4.637 4.543 0.094 17762 478 1 . 1 1 100 100 THR CA C 100 59.883 59.883 61.644 -1.761 17762 479 1 . 1 1 100 100 THR CB C 100 68.372 68.372 69.819 -1.447 17762 480 1 . 1 1 100 100 THR H H 100 8.855 8.855 8.803 0.052 17762 481 1 . 1 1 101 101 GLN N N 101 128.586 128.586 128.426 0.160 17762 482 1 . 1 1 101 101 GLN HA H 101 5.180 5.180 4.667 0.513 17762 483 1 . 1 1 101 101 GLN CA C 101 53.150 53.150 56.130 -2.980 17762 484 1 . 1 1 101 101 GLN CB C 101 27.098 27.098 28.862 -1.764 17762 485 1 . 1 1 101 101 GLN H H 101 8.823 8.823 8.736 0.087 17762 486 1 . 1 1 102 102 VAL N N 102 121.495 121.495 121.580 -0.085 17762 487 1 . 1 1 102 102 VAL HA H 102 4.639 4.639 4.671 -0.033 17762 488 1 . 1 1 102 102 VAL CA C 102 57.834 57.834 59.681 -1.847 17762 489 1 . 1 1 102 102 VAL CB C 102 34.123 34.123 35.777 -1.654 17762 490 1 . 1 1 102 102 VAL H H 102 8.643 8.643 8.966 -0.323 17762 491 1 . 1 1 103 103 GLU N N 103 122.031 122.031 120.591 1.440 17762 492 1 . 1 1 103 103 GLU HA H 103 5.400 5.400 5.211 0.189 17762 493 1 . 1 1 103 103 GLU CA C 103 52.565 52.565 54.544 -1.979 17762 494 1 . 1 1 103 103 GLU CB C 103 28.269 28.269 30.189 -1.920 17762 495 1 . 1 1 103 103 GLU H H 103 8.068 8.068 8.497 -0.429 17762 496 1 . 1 1 104 104 LYS N N 104 122.283 122.283 122.704 -0.421 17762 497 1 . 1 1 104 104 LYS HA H 104 4.795 4.795 4.620 0.175 17762 498 1 . 1 1 104 104 LYS CA C 104 51.979 51.979 54.218 -2.239 17762 499 1 . 1 1 104 104 LYS CB C 104 37.050 37.050 36.746 0.304 17762 500 1 . 1 1 104 104 LYS H H 104 8.336 8.336 8.500 -0.164 17762 501 1 . 1 1 105 105 HIS N N 105 119.366 119.366 119.542 -0.176 17762 502 1 . 1 1 105 105 HIS HA H 105 4.407 4.407 4.828 -0.421 17762 503 1 . 1 1 105 105 HIS CA C 105 54.321 54.321 56.804 -2.483 17762 504 1 . 1 1 105 105 HIS CB C 105 25.341 25.341 29.277 -3.936 17762 505 1 . 1 1 105 105 HIS H H 105 9.202 9.202 8.588 0.614 17762 506 1 . 1 1 106 106 ILE N N 106 114.175 114.175 119.324 -5.149 17762 507 1 . 1 1 106 106 ILE HA H 106 4.997 4.997 4.351 0.646 17762 508 1 . 1 1 106 106 ILE CA C 106 57.541 57.541 61.833 -4.292 17762 509 1 . 1 1 106 106 ILE CB C 106 38.807 38.807 38.725 0.082 17762 510 1 . 1 1 106 106 ILE H H 106 8.447 8.447 8.753 -0.306 17762 511 1 . 1 1 107 107 ILE N N 107 122.400 122.400 125.803 -3.403 17762 512 1 . 1 1 107 107 ILE HA H 107 5.296 5.296 5.008 0.288 17762 513 1 . 1 1 107 107 ILE CA C 107 57.541 57.541 58.588 -1.047 17762 514 1 . 1 1 107 107 ILE CB C 107 36.758 36.758 37.170 -0.412 17762 515 1 . 1 1 107 107 ILE H H 107 8.314 8.314 8.953 -0.639 17762 516 1 . 1 1 108 108 VAL N N 108 118.187 118.187 123.645 -5.458 17762 517 1 . 1 1 108 108 VAL HA H 108 4.888 4.888 4.679 0.209 17762 518 1 . 1 1 108 108 VAL CA C 108 55.199 55.199 58.924 -3.725 17762 519 1 . 1 1 108 108 VAL CB C 108 32.074 32.074 34.939 -2.865 17762 520 1 . 1 1 108 108 VAL H H 108 8.907 8.907 9.114 -0.207 17762 521 1 . 1 1 109 109 ALA N N 109 122.660 122.660 125.329 -2.669 17762 522 1 . 1 1 109 109 ALA HA H 109 5.296 5.296 4.760 0.536 17762 523 1 . 1 1 109 109 ALA CA C 109 48.174 48.174 50.523 -2.349 17762 524 1 . 1 1 109 109 ALA CB C 109 19.194 19.194 19.370 -0.176 17762 525 1 . 1 1 109 109 ALA H H 109 8.706 8.706 8.583 0.123 17762 526 1 . 1 1 110 110 CYS N N 110 120.404 120.404 123.946 -3.542 17762 527 1 . 1 1 110 110 CYS HA H 110 5.680 5.680 5.176 0.504 17762 528 1 . 1 1 110 110 CYS CA C 110 53.443 53.443 57.540 -4.097 17762 529 1 . 1 1 110 110 CYS CB C 110 47.003 47.003 28.759 18.244 17762 530 1 . 1 1 110 110 CYS H H 110 8.797 8.797 8.678 0.119 17762 531 1 . 1 1 111 111 GLY N N 111 111.123 111.123 111.919 -0.796 17762 532 1 . 1 1 111 111 GLY CA C 111 42.905 42.905 45.570 -2.665 17762 533 1 . 1 1 111 111 GLY H H 111 9.107 9.107 8.799 0.308 17762 534 1 . 1 1 112 112 GLY N N 112 107.554 107.554 107.176 0.378 17762 535 1 . 1 1 112 112 GLY CA C 112 40.856 40.856 45.116 -4.261 17762 536 1 . 1 1 112 112 GLY H H 112 8.206 8.206 8.189 0.017 17762 537 1 . 1 1 113 113 LYS N N 113 118.578 118.578 119.903 -1.325 17762 538 1 . 1 1 113 113 LYS HA H 113 4.384 4.384 4.130 0.254 17762 539 1 . 1 1 113 113 LYS CA C 113 51.100 51.100 55.692 -4.592 17762 540 1 . 1 1 113 113 LYS CB C 113 32.367 32.367 31.914 0.453 17762 541 1 . 1 1 113 113 LYS H H 113 7.774 7.774 8.113 -0.339 17762 542 1 . 1 1 114 114 PRO HA H 114 4.615 4.615 4.435 0.180 17762 543 1 . 1 1 114 114 PRO C C 114 3.597 3.597 176.222 -172.625 17762 544 1 . 1 1 114 114 PRO CA C 114 60.448 60.448 62.002 -1.554 17762 545 1 . 1 1 114 114 PRO CB C 114 31.781 31.781 32.569 -0.788 17762 546 1 . 1 1 115 115 SER N N 115 116.201 116.201 116.427 -0.226 17762 547 1 . 1 1 115 115 SER HA H 115 3.954 3.954 4.285 -0.331 17762 548 1 . 1 1 115 115 SER CA C 115 56.078 56.078 58.653 -2.575 17762 549 1 . 1 1 115 115 SER CB C 115 60.761 60.761 62.428 -1.667 17762 550 1 . 1 1 115 115 SER H H 115 8.201 8.201 8.366 -0.165 17762 551 1 . 1 1 116 116 VAL N N 116 120.540 120.540 118.620 1.920 17762 552 1 . 1 1 116 116 VAL HA H 116 4.858 4.858 4.733 0.125 17762 553 1 . 1 1 116 116 VAL CA C 116 56.078 56.078 57.671 -1.593 17762 554 1 . 1 1 116 116 VAL CB C 116 31.196 31.196 33.878 -2.682 17762 555 1 . 1 1 116 116 VAL H H 116 8.511 8.511 8.520 -0.009 17762 556 1 . 1 1 117 117 PRO HA H 117 4.508 4.508 4.789 -0.281 17762 557 1 . 1 1 117 117 PRO CA C 117 60.468 60.468 62.707 -2.239 17762 558 1 . 1 1 117 117 PRO CB C 117 27.391 27.391 32.384 -4.993 17762 559 1 . 1 1 118 118 VAL N N 118 111.972 111.972 114.264 -2.292 17762 560 1 . 1 1 118 118 VAL HA H 118 4.532 4.532 4.301 0.231 17762 561 1 . 1 1 118 118 VAL CA C 118 58.419 58.419 61.417 -2.998 17762 562 1 . 1 1 118 118 VAL CB C 118 31.781 31.781 33.413 -1.632 17762 563 1 . 1 1 118 118 VAL H H 118 8.927 8.927 8.614 0.313 17762 564 1 . 1 1 119 119 HIS N N 119 121.264 121.264 117.117 4.147 17762 565 1 . 1 1 119 119 HIS HA H 119 5.324 5.324 4.124 1.201 17762 566 1 . 1 1 119 119 HIS CA C 119 53.443 53.443 54.546 -1.103 17762 567 1 . 1 1 119 119 HIS CB C 119 30.025 30.025 33.722 -3.697 17762 568 1 . 1 1 119 119 HIS H H 119 7.616 7.616 6.989 0.627 17762 569 1 . 1 1 120 120 PHE HA H 120 4.283 4.283 4.645 -0.362 17762 570 1 . 1 1 120 120 PHE CA C 120 55.785 55.785 56.901 -1.116 17762 571 1 . 1 1 120 120 PHE CB C 120 36.172 36.172 41.403 -5.231 17762 572 1 . 1 1 121 121 ASP N N 121 131.399 131.399 126.205 5.193 17762 573 1 . 1 1 121 121 ASP HA H 121 4.668 4.668 4.555 0.113 17762 574 1 . 1 1 121 121 ASP CA C 121 54.614 54.614 54.095 0.519 17762 575 1 . 1 1 121 121 ASP CB C 121 44.076 44.076 43.371 0.704 17762 576 1 . 1 1 121 121 ASP H H 121 8.644 8.644 8.436 0.208 17762 577 1 . 1 1 122 122 ALA N N 122 116.961 116.961 118.392 -1.431 17762 578 1 . 1 1 122 122 ALA HA H 122 4.491 4.491 4.399 0.092 17762 579 1 . 1 1 122 122 ALA CA C 122 49.345 49.345 51.653 -2.308 17762 580 1 . 1 1 122 122 ALA CB C 122 19.194 19.194 20.976 -1.782 17762 581 1 . 1 1 122 122 ALA H H 122 7.419 7.419 7.023 0.396 17762 582 1 . 1 1 123 123 SER N N 123 112.579 112.579 115.438 -2.859 17762 583 1 . 1 1 123 123 SER HA H 123 5.325 5.325 5.593 -0.268 17762 584 1 . 1 1 123 123 SER CA C 123 54.321 54.321 57.542 -3.221 17762 585 1 . 1 1 123 123 SER CB C 123 63.981 63.981 65.937 -1.956 17762 586 1 . 1 1 123 123 SER H H 123 8.092 8.092 8.526 -0.434 17762 stop_ save_